#DEFINITION	Reference Metabolome for Artocarpus heterophyllus
#IDENTTFIER	RefMeta-Artocarpus heterophyllus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Artocarpus heterophyllus
#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 Artocarpus heterophyllus 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	999.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	12.4
71.57993	1.1
72.99174	0.7
73.02828	1.2
79.95602	0.8
83.01282	0.7
83.04887	0.8
85.02843	2.3
85.32374	0.7
87.00758	2.6
89.02320	9.5
95.01279	1.6
96.95873	4.9
96.96831	0.9
97.02816	3.3
101.02317	8.6
109.06476	0.9
111.08034	9.4
113.02335	4.8
116.73265	0.7
119.03386	1.4
119.04881	0.8
125.02328	4.6
125.09631	1.1
137.09724	0.8
143.03362	1.0
153.12683	1.1
161.04497	2.3
165.12764	2.1
169.12190	3.6
171.10220	1.7
179.05493	2.8
181.12300	1.7
183.13847	1.2
197.11772	47.9
198.12115	2.0
199.13370	2.5
209.11885	1.8
211.13326	7.0
221.06558	1.2
221.11566	0.8
227.12877	2.7
235.08101	3.5
247.20540	1.0
253.09090	1.6
263.20169	1.9
265.18103	1.5
273.18710	1.5
291.19675	23.3
292.20004	2.5
305.08701	0.9
309.20721	100.0
310.21161	5.6
311.22171	1.1
323.09738	1.2
333.20422	0.9
395.14032	0.7
397.13449	21.0
415.14624	12.5
601.41260	2.2
689.34082	1.6
707.34973	3.7
714.06598	0.8
931.14685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6014
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83051	5.0
69.83356	33.3
71.01259	9.7
78.95753	6.8
89.02314	5.6
96.95895	28.1
98.21594	5.4
99.92458	19.1
101.02304	6.3
116.91991	9.3
116.92749	100.0
117.92773	9.8
138.61383	5.0
139.31593	5.8
152.99481	8.2
206.47409	4.9
209.11847	9.9
229.48917	5.4
244.96989	5.1
255.23221	43.7
277.21738	11.4
297.56342	6.1
305.50388	6.2
309.20682	9.0
367.25336	5.8
387.78748	5.1
483.27151	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03309	0.5
71.01253	6.7
72.99184	0.6
73.02811	1.0
81.03335	0.8
83.01270	1.0
83.04897	0.3
85.02823	1.5
87.00754	1.9
89.02317	6.6
95.01263	0.4
97.02842	1.2
97.06448	0.6
101.02324	5.9
101.28699	0.3
113.02328	3.1
119.03396	1.8
121.02800	0.3
123.08031	0.8
125.02343	2.7
125.09607	2.9
135.08029	0.6
139.11188	0.8
141.09128	1.8
141.12755	0.5
143.03368	1.3
143.10689	0.3
151.07562	0.4
153.09132	1.1
155.14319	1.9
157.12277	0.7
161.04514	1.3
165.12869	0.3
169.05128	0.3
169.08475	0.4
171.10150	1.8
179.05548	1.5
185.15355	0.3
188.91284	0.3
199.09717	0.6
200.10487	2.4
209.11772	1.2
210.12135	0.4
217.07004	0.3
235.08238	2.7
236.08505	0.3
241.97197	0.3
249.22200	2.8
253.09198	0.6
265.21695	1.5
267.23260	1.2
275.20169	0.8
279.23288	20.3
280.23630	1.9
281.23953	0.4
282.14551	0.4
283.22733	0.6
287.07755	1.0
291.19650	1.0
292.19901	0.4
293.21216	6.2
294.21918	0.3
305.08716	1.2
309.20752	1.2
310.21136	0.9
311.16559	2.5
311.22266	100.0
312.17239	0.4
312.22617	6.5
323.09717	0.5
397.13492	29.8
398.13803	2.4
399.13977	1.1
415.14563	10.1
416.14993	1.0
547.02991	0.3
618.75848	0.3
677.37476	1.0
678.95563	0.3
731.92065	0.3
819.74982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.6
71.01255	52.4
72.99199	1.8
73.02825	7.0
74.38706	1.3
74.97502	1.1
81.03313	2.4
83.01282	2.6
83.04909	2.8
85.02821	4.3
87.00770	6.3
88.03928	1.9
89.02326	16.2
95.01263	1.3
95.04922	1.2
96.95904	2.9
97.02821	10.7
97.06470	1.2
99.00778	2.0
99.08035	1.5
101.02329	19.2
107.04896	1.9
109.06479	23.7
111.08099	1.6
113.02306	8.6
119.03383	5.3
120.63642	1.1
121.06464	1.1
123.08076	1.3
125.02340	10.3
132.02933	4.2
135.08073	3.1
142.02628	2.2
143.03436	4.4
155.10648	1.7
161.04440	5.3
163.11214	9.4
171.10187	3.8
179.05551	3.5
181.12283	6.9
185.11804	2.0
185.69054	1.1
197.11743	4.0
199.09650	9.8
207.08331	2.5
207.10207	32.7
209.11780	5.2
215.12822	2.0
217.07188	1.6
221.06703	1.3
225.11292	13.1
230.55301	1.4
235.08179	10.5
243.12338	1.5
253.09224	2.0
255.23273	54.5
256.23599	3.5
272.76025	1.2
287.07681	3.8
291.19797	2.2
305.08823	3.4
307.19070	3.1
309.20667	4.5
343.28177	1.6
393.23215	1.3
397.13483	100.0
398.13727	5.3
415.09088	1.7
415.14560	31.4
653.37524	7.9
927.28174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	0.6
70.16525	1.3
71.01256	8.8
72.99191	0.7
73.02837	1.4
75.00780	0.4
81.03349	0.5
83.01252	0.7
83.04904	0.7
85.02824	1.9
87.00758	2.2
89.01751	0.4
89.02319	7.2
95.01265	0.5
97.02834	1.6
97.06437	0.3
99.00808	0.5
99.08041	1.4
101.02328	6.9
111.00808	0.3
111.04369	0.4
111.08016	0.3
113.02341	3.2
113.09603	1.1
119.03421	1.8
123.07992	0.3
125.02342	3.3
125.09597	0.4
127.11157	0.7
129.09102	3.1
131.03403	0.4
139.11215	1.8
143.03406	1.5
149.04482	0.2
151.11220	0.6
152.32127	0.2
153.12743	0.3
155.10732	0.6
161.04498	2.0
163.11137	0.4
167.10672	0.3
168.86856	0.2
169.04939	0.3
169.12195	1.3
171.10185	7.6
172.10527	0.3
179.05544	2.1
181.12259	2.8
183.10164	0.6
183.13824	1.1
185.11807	1.5
192.63408	0.3
192.66769	0.3
193.12292	1.0
197.11784	4.8
199.13303	1.9
201.11292	1.5
211.13353	10.0
212.13684	0.6
217.07169	0.3
221.06677	0.4
227.12758	0.5
235.08203	4.5
241.30666	0.3
249.22002	0.3
253.09276	1.0
263.07828	0.5
265.21631	0.4
275.20166	1.0
277.21732	21.2
278.22073	1.3
287.07712	1.0
293.21228	8.1
294.21445	0.5
296.34735	0.3
305.08762	1.2
309.20779	0.4
311.22281	100.0
312.22638	7.0
313.22913	0.5
323.09830	0.7
363.91550	0.3
397.13507	33.9
398.13818	2.4
415.14566	12.7
416.14990	0.7
429.94333	0.3
512.67828	0.3
675.35413	1.3
710.08832	0.3
775.11688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.9
71.01254	24.7
72.99177	2.3
73.02821	4.0
80.02544	2.2
81.03338	1.7
83.01243	2.4
83.04875	1.0
84.02032	0.6
85.02821	5.0
85.04093	0.6
87.00733	4.4
89.02313	20.4
93.03345	1.0
95.01274	1.5
96.95893	1.1
97.02837	3.2
97.06435	0.8
99.00751	1.7
101.01697	1.1
101.02323	18.0
109.02847	0.7
111.04351	1.0
113.02335	8.1
119.03402	6.4
123.08057	4.6
125.02326	8.8
125.09615	5.8
127.11163	2.5
127.92285	0.5
131.03413	0.9
137.09570	2.9
139.03871	0.7
139.11214	1.4
141.12743	1.0
143.03433	3.3
149.04494	0.7
151.07521	1.0
155.09520	1.1
155.10684	12.8
161.04475	4.9
167.10612	1.4
169.04872	0.6
171.10179	26.6
179.05502	4.6
185.11761	20.8
212.10567	1.1
221.06581	1.7
235.08218	10.3
245.06647	0.7
247.20691	1.3
253.09274	1.8
263.07642	0.9
263.20181	2.0
277.09402	0.7
279.23285	72.4
280.23642	3.5
281.21204	3.6
287.07617	3.3
291.19650	11.1
305.08774	4.1
309.20694	40.4
310.20999	2.3
318.70926	0.7
323.09741	1.2
397.13495	100.0
398.13980	4.1
415.14551	34.2
416.14920	1.7
421.66125	0.6
558.63086	0.8
584.34845	0.6
677.37311	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	987.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34776	2.2
69.95114	12.1
71.01248	11.2
76.24820	2.7
80.26026	2.1
89.02308	8.4
96.95871	3.2
101.02300	6.2
113.02357	3.2
116.92744	5.2
125.02386	3.4
127.11150	5.7
139.11136	5.1
143.03339	2.9
171.10158	31.3
183.10207	3.0
185.11769	5.9
197.11844	3.2
201.11194	6.4
209.11923	3.0
211.13300	5.4
227.12549	2.5
235.08057	2.8
277.21732	20.9
293.21198	7.9
311.22284	100.0
312.22638	10.6
397.13486	31.1
415.14511	10.4
426.02374	2.8
473.19620	3.0
516.29901	2.7
811.39099	2.9
988.72205	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	987.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03288	1.9
69.63936	0.5
71.01255	23.0
71.04855	0.9
72.99155	1.8
73.02817	3.5
73.94298	0.5
80.02544	3.8
81.03339	3.3
83.01225	2.4
83.04476	0.6
83.04895	8.8
84.02044	3.3
85.02823	6.0
87.00755	5.8
89.02321	19.1
91.71575	0.5
93.03354	0.5
95.01244	1.4
96.95842	0.8
97.02851	4.3
97.06425	1.8
97.45133	0.6
98.19650	0.9
99.00727	1.5
99.07980	1.7
101.02325	18.3
109.02853	0.7
109.06458	1.4
111.04373	0.7
113.01643	0.6
113.02332	10.0
113.09573	0.9
115.07493	2.1
116.92731	0.9
119.03392	6.4
123.04351	0.9
123.07996	0.9
125.02338	8.6
125.09595	2.1
127.11104	1.9
131.03354	1.2
133.04956	0.7
137.09622	18.0
139.11182	1.9
139.80649	0.6
143.03418	4.0
151.07558	0.9
151.11153	2.1
153.09102	2.9
153.12741	0.8
155.10690	17.2
161.04430	5.1
167.10643	1.4
169.12213	0.5
171.10190	19.7
179.05525	3.7
185.04378	0.6
193.12273	6.7
209.11813	1.3
211.13377	2.2
221.06566	1.4
225.18431	0.7
235.08194	9.9
247.20619	3.0
253.09248	2.1
263.07663	1.2
263.20059	1.6
265.21649	2.0
273.18622	0.9
273.82730	0.6
279.23294	62.5
280.23630	4.0
281.21130	0.7
287.07733	2.7
291.19662	30.2
292.20013	1.2
305.08801	4.8
309.20706	81.9
310.21082	3.7
318.00214	0.6
323.10019	0.9
351.01065	0.6
379.12738	0.7
397.13516	100.0
398.13818	5.9
415.14587	31.9
416.14993	2.5
448.87592	0.6
677.37115	2.6
678.37994	0.6
709.16486	0.6
858.62927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03309	0.7
71.01254	6.2
72.99158	0.5
73.02821	1.5
81.03314	0.3
83.01248	0.7
83.04880	0.5
83.39664	0.2
85.02825	1.5
87.00749	1.5
89.02319	6.0
89.43310	0.2
90.02637	0.2
95.01246	0.4
95.04870	0.3
97.02830	1.3
97.06450	0.7
99.00755	0.5
101.01700	0.3
101.02328	4.7
105.06561	0.2
109.06458	0.2
111.04426	0.2
111.08031	0.3
113.02322	2.5
113.05949	0.2
119.03394	1.7
121.02818	0.2
121.10099	0.2
123.08057	1.1
125.02331	2.6
125.05936	0.5
125.09608	3.5
127.11142	0.9
131.03419	0.2
133.04959	0.2
135.08058	0.3
137.09636	1.0
139.07510	0.2
139.11208	0.8
141.01759	0.2
141.09108	1.1
141.12729	0.6
143.03436	1.0
151.07513	0.6
151.11165	0.3
153.09119	1.2
153.12738	0.6
155.10728	1.0
155.14305	0.4
161.04434	1.2
165.09103	0.3
167.10637	0.3
169.08565	0.3
169.12277	0.2
171.10156	2.3
179.05539	1.1
179.14313	0.4
181.12210	0.2
183.10130	0.3
183.13806	0.7
185.11731	0.6
193.15926	0.6
199.09711	3.1
200.10483	2.5
201.11249	2.8
209.11572	0.2
209.15430	0.4
211.13187	0.2
211.17001	0.2
213.11299	0.9
215.12775	0.6
219.17407	0.3
221.06577	0.4
235.08218	2.1
237.22208	0.2
240.13622	0.3
245.19164	0.2
247.20662	2.9
253.09204	0.5
263.07672	0.4
263.20187	0.8
265.21771	0.9
273.18695	1.2
277.21722	14.5
278.22009	1.2
281.21210	0.8
287.07724	0.8
290.18103	0.2
291.19669	10.1
292.20020	0.5
305.08792	1.1
309.20700	100.0
310.21054	6.8
310.24063	0.2
311.22073	0.2
323.10034	0.4
379.11984	0.2
397.13492	25.0
398.13913	1.4
415.14581	8.4
416.15002	0.7
580.93304	0.2
675.36005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.6
71.01254	26.0
71.04916	1.1
72.01569	0.9
72.99187	2.8
73.02810	3.3
74.11870	0.9
79.11099	0.9
79.72562	0.7
80.02539	3.3
81.03334	3.0
83.01263	2.9
83.04897	8.9
84.02055	2.5
85.02809	6.7
87.00751	4.8
89.02318	21.0
90.02616	0.9
95.01268	2.7
95.04892	1.3
96.95911	2.2
97.02833	4.0
97.06464	1.6
99.00760	2.3
99.08018	0.9
101.02321	20.2
108.46967	0.8
109.06471	1.4
111.00725	1.1
113.02330	10.2
113.09573	0.9
115.07535	1.4
119.03391	5.7
121.02840	1.8
125.02322	8.9
125.09615	1.2
127.11195	1.4
131.03439	1.4
137.09613	17.2
139.11150	2.1
143.03383	4.2
151.07516	1.1
151.11156	1.6
153.09097	3.1
155.10677	13.6
161.04485	5.2
171.10173	20.3
179.05516	4.9
185.04539	0.9
193.12283	3.4
209.11656	1.0
209.15456	1.6
211.13292	2.5
217.06975	0.8
221.06598	2.4
235.08170	10.1
238.66542	0.8
247.20596	2.2
253.09236	1.7
263.07693	0.9
263.20181	2.3
265.21698	3.0
277.21719	58.0
278.22025	3.0
287.07758	4.2
291.19666	17.1
292.19751	1.3
305.08801	3.3
309.17535	2.1
309.20697	61.1
310.21057	3.7
323.09784	2.3
397.13513	100.0
398.13797	5.4
415.14578	34.8
416.14713	2.3
675.35858	4.1
809.16620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	2.4
73.02808	0.6
85.02785	0.7
96.95881	0.8
97.02836	0.5
97.06471	1.2
99.11517	0.6
101.02341	0.7
109.06478	0.9
123.08051	0.9
125.05961	0.8
125.09614	3.2
127.11156	0.9
132.84628	0.5
137.09563	0.9
139.07573	0.5
139.11108	0.7
141.09099	0.8
151.11221	0.5
152.24747	0.5
153.09120	1.5
155.10689	0.6
166.63205	0.5
171.10178	4.3
174.74026	0.4
183.13890	1.2
185.11685	0.8
199.09706	4.7
200.10542	2.6
201.11273	3.3
207.10236	1.8
209.11732	1.5
211.13338	7.2
212.13641	0.5
213.11313	0.6
225.11287	1.4
227.12799	1.5
235.08206	1.0
247.20625	3.1
253.09308	1.1
265.21710	1.2
269.04517	0.6
273.18674	0.8
291.19690	9.6
309.20715	100.0
310.21069	4.3
311.22189	0.5
397.13379	0.9
401.23193	1.1
637.32068	1.5
655.33514	1.5
759.45776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.346
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06882	7.1
71.01257	2.5
73.06231	1.4
73.89214	1.6
77.38266	1.4
77.88227	1.2
81.03354	2.7
85.02824	2.8
90.37857	1.6
96.95833	1.7
101.02328	2.7
108.02074	2.2
109.02845	3.3
122.03631	3.8
123.00755	2.3
123.04424	24.6
124.01574	3.6
125.02347	6.2
135.04419	4.0
136.01587	2.3
137.02356	65.9
139.03888	2.6
147.16451	1.4
149.02365	3.1
149.06017	2.0
149.90923	1.5
150.03165	10.2
151.03918	57.6
152.04713	52.1
161.09570	1.9
165.01820	2.7
165.05461	2.0
167.07054	6.3
172.67313	1.5
177.01857	5.3
178.02641	30.4
179.03258	3.4
193.04999	39.0
195.02950	5.4
196.03714	100.0
197.04126	3.1
205.12311	1.7
211.06082	21.8
243.02982	1.8
277.74890	1.4
289.07294	3.4
358.09253	2.8
373.11490	6.0
400.09912	3.2
415.12628	3.9
563.21277	4.9
605.22620	3.9
935.44922	5.0
961.32617	8.2
962.34009	2.0
979.34680	54.1
980.34894	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	983.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63242	0.4
68.99650	0.6
69.03323	1.8
70.90660	1.2
71.01256	23.5
72.99179	1.9
73.02826	3.7
75.00747	0.7
75.20850	0.4
80.02541	0.7
81.03342	2.7
83.01263	6.6
83.04892	1.5
85.02821	5.3
87.00742	4.9
89.02322	20.2
93.03320	0.5
93.16212	0.4
95.01264	1.6
95.04910	1.2
97.02830	5.6
97.06458	3.1
99.00757	1.6
100.92239	0.5
101.02325	19.0
109.06444	0.6
111.04413	0.9
113.01620	0.7
113.02334	9.7
119.03390	5.4
119.08506	0.5
121.02822	0.5
123.04417	3.1
123.08022	1.6
125.02333	8.3
125.05946	0.5
125.09616	6.0
131.03435	0.8
133.04924	0.5
135.08072	1.1
137.05981	0.9
137.09636	3.5
139.03922	0.6
141.01819	0.8
141.12720	0.5
143.03400	3.9
149.04517	0.6
149.05923	0.7
151.11261	0.5
161.04449	5.0
161.09624	0.6
162.18510	0.4
163.07562	0.7
163.11214	5.8
165.09178	0.6
165.12749	1.6
167.10648	1.3
171.10219	0.6
179.05540	4.1
179.10654	0.6
181.12219	1.4
185.04431	0.5
185.11736	5.6
191.10692	2.0
191.14348	4.8
195.09886	0.4
207.10211	3.2
209.11780	25.1
210.12117	1.5
217.07089	0.8
221.06552	1.1
225.11292	2.6
226.12071	0.5
235.08209	11.1
245.19090	10.9
246.19365	0.7
253.09377	2.6
263.07730	1.4
263.20218	1.3
269.22647	0.5
271.17084	1.6
275.20175	0.6
275.99716	0.5
277.21725	58.1
278.22122	3.5
287.07831	3.3
289.18106	32.6
290.18396	2.0
305.08795	4.5
307.19171	27.6
308.19461	1.2
323.09891	1.5
379.12564	0.7
386.07007	0.4
397.13507	100.0
398.13852	5.6
415.14566	34.1
416.15042	1.8
521.14392	0.5
675.35803	2.7
683.07770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.2
71.01257	14.8
72.99169	1.0
73.02824	3.1
75.00739	0.3
81.03323	0.7
83.01253	1.8
83.04923	0.4
85.02834	3.8
87.00748	3.6
89.02320	13.9
95.01244	1.2
95.04894	0.4
97.02836	3.2
99.00750	0.9
101.02325	12.6
109.02767	0.3
111.04409	0.5
111.08009	0.3
113.01620	0.5
113.02338	6.3
113.09607	0.3
115.03889	0.3
119.00833	0.3
119.03387	4.0
125.02341	6.5
127.03833	0.3
131.03381	0.7
131.51611	0.2
133.04956	0.5
139.03893	0.5
143.03389	2.9
149.04459	0.6
161.04485	3.1
167.03398	0.5
167.10684	0.6
179.05528	3.2
179.14301	0.7
185.04413	0.5
195.13860	7.5
196.14478	0.8
199.06056	0.3
205.12357	0.9
211.13365	0.4
217.07013	0.4
221.06610	0.9
223.11337	0.5
223.13365	5.9
223.15450	0.2
228.13571	0.9
235.08217	7.2
245.06613	0.5
253.09175	1.7
256.13153	1.6
261.22153	0.4
263.07678	0.5
265.21646	0.4
275.20175	4.2
277.09265	0.4
279.23288	47.6
280.23587	2.5
287.07834	2.3
293.21228	100.0
294.21567	5.1
305.08755	3.5
323.09811	1.0
379.12219	0.3
397.13510	71.9
398.13791	2.4
415.14578	22.5
416.14990	1.1
677.37439	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	967.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78551	9.2
71.01252	4.7
79.24593	1.5
81.08486	1.3
96.95886	2.7
98.20518	2.9
118.30212	1.6
125.02335	2.1
127.07517	1.4
152.61555	1.4
201.11255	3.7
209.11809	1.5
257.07028	6.1
269.07083	1.6
271.04984	3.7
309.20691	7.2
310.07407	9.3
311.08029	2.1
324.09073	1.6
333.10272	7.0
338.10486	2.9
351.14862	2.0
353.12564	1.6
365.16498	2.4
368.15411	3.0
393.16211	2.0
410.79898	1.4
411.16959	6.9
439.16528	8.5
440.17337	4.6
453.18115	2.9
461.18655	10.5
479.19574	13.4
530.25531	7.0
547.25751	4.6
548.26678	100.0
549.26898	7.0
562.28265	4.7
657.36877	84.9
658.37152	11.8
929.08478	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	971.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	47.8
71.58540	4.1
72.99179	6.2
77.61725	2.3
79.84865	2.1
80.38885	2.3
85.02818	11.1
87.00752	8.1
89.02317	52.2
93.03333	9.0
95.01254	5.3
96.95878	5.2
101.02319	21.3
108.02061	2.8
109.02820	4.6
113.02345	18.3
117.03355	4.3
119.03383	26.7
121.02836	9.5
122.03648	15.1
123.04412	2.8
125.02331	7.2
126.99374	2.1
130.03877	2.2
133.02866	5.2
134.03629	6.7
135.04402	4.6
136.01561	29.8
137.02353	11.5
141.26004	2.0
143.03371	4.0
145.02837	12.4
146.03615	8.4
149.02354	41.7
149.06017	2.7
150.03134	100.0
151.00246	8.1
151.03922	75.1
153.01849	3.6
161.02333	6.4
161.04462	6.4
161.05881	4.9
162.03145	46.6
164.04689	9.3
165.01820	7.0
165.05496	89.9
166.02638	18.2
173.21097	2.5
173.53041	2.1
175.03833	2.9
177.01805	3.3
177.05513	24.6
178.02689	2.6
179.05496	22.6
179.07103	6.1
180.04169	12.4
181.04951	18.0
191.05455	3.2
192.04041	2.3
193.05054	3.3
195.06570	69.5
225.07594	2.9
289.07278	2.4
357.12259	4.0
373.12906	3.2
387.14493	8.0
417.15628	11.0
563.19421	4.1
565.20667	21.2
566.21655	2.5
577.20923	5.8
595.21454	6.3
613.22546	11.5
713.26282	5.0
725.26379	18.6
726.26312	3.0
743.26691	8.9
761.28040	6.5
773.28009	12.5
791.29559	3.3
809.29993	3.3
971.35364	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	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.5
71.01257	22.6
72.01576	0.5
72.99179	1.7
73.02825	4.6
75.00755	0.4
81.03329	1.1
83.01267	3.0
85.02823	5.4
85.99961	0.5
87.00755	5.7
89.02319	22.6
95.01252	2.1
95.04895	0.6
96.95872	0.4
97.02841	4.8
98.35186	0.4
99.00737	1.4
101.02326	21.0
106.07692	0.4
111.00730	0.5
111.04385	0.4
113.02333	9.7
119.03406	6.1
121.02848	0.9
123.04378	0.4
125.02332	8.4
126.02750	0.4
131.03375	1.3
133.04968	0.8
139.03885	0.7
141.01845	0.6
143.03403	3.6
148.08852	0.4
149.04466	0.6
150.10469	0.5
159.07123	0.5
161.04465	4.8
165.12762	10.2
167.03346	0.5
179.05547	4.6
185.04391	0.8
209.11723	0.5
217.07173	0.7
221.06604	1.6
235.08206	9.5
247.20659	4.7
253.09335	2.2
263.07697	0.9
273.18552	3.1
277.21725	58.1
278.21970	3.1
287.07816	3.5
291.19672	34.1
291.22089	0.9
292.20020	1.7
305.08792	4.3
323.09802	1.3
379.12549	1.1
397.13513	100.0
398.13782	5.3
398.29694	0.4
415.14587	34.7
416.14755	2.1
643.17078	0.4
675.36047	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	967.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75811	0.6
68.88137	0.6
71.01263	3.4
71.58425	0.6
71.58817	1.0
75.44978	0.6
78.95778	8.7
80.53021	0.6
85.02840	0.5
89.02299	2.7
96.95915	1.3
96.96835	1.1
100.27969	0.6
101.02308	1.7
113.02299	0.8
125.02329	1.1
128.17177	0.5
152.98311	1.0
152.99495	13.8
153.73914	0.5
164.22586	0.6
171.00549	1.0
179.05530	1.0
195.12154	0.6
195.13847	2.6
216.92926	0.6
223.13316	1.6
227.03221	2.6
235.08197	1.1
245.04309	1.6
249.11070	0.9
255.23277	100.0
256.23602	5.4
275.20267	1.4
277.21774	0.7
290.76785	0.7
293.21231	27.8
294.21704	1.2
309.20691	1.6
397.13626	5.5
407.08545	0.8
415.14752	2.8
483.27304	70.2
484.27628	4.9
926.77167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	6.3
71.26902	0.8
72.99178	2.0
73.02798	2.9
83.01304	0.8
85.02824	3.2
89.02312	1.6
93.03329	4.1
96.95894	1.5
99.00762	4.4
101.02333	3.2
107.67373	0.7
108.02048	3.3
113.02347	5.1
114.37356	0.7
119.04921	83.2
120.05252	2.3
121.02865	5.1
123.04393	1.1
125.02338	3.3
135.04385	0.8
137.02367	1.8
149.02338	2.7
150.03093	3.5
151.03896	1.1
161.02422	1.0
161.04538	0.9
161.05975	2.0
163.03906	1.7
175.03955	1.6
176.08307	5.5
179.06992	4.1
180.04182	0.7
190.95599	0.7
191.05548	1.6
193.05138	1.0
196.03703	1.2
203.07086	1.7
204.07874	23.9
205.08591	5.3
208.07367	2.0
217.08646	3.8
218.09253	1.9
219.10220	100.0
220.10570	4.1
233.11699	1.2
245.09543	1.1
245.11601	4.4
303.58264	0.7
307.13464	1.2
323.12802	1.6
338.15152	1.5
339.16010	20.2
340.16379	1.0
342.94293	0.8
395.13626	1.1
413.14481	2.3
455.15747	10.6
483.20282	1.3
501.21320	1.1
543.22260	1.8
597.23260	0.9
615.24414	16.8
616.24634	2.4
633.25494	11.3
634.26343	1.4
657.25769	12.9
658.25714	1.3
675.26563	43.2
676.27069	6.5
717.28046	1.9
740.98938	0.9
759.29926	1.2
777.29791	3.4
798.78735	0.9
819.31165	1.7
837.32440	2.4
962.58911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	12.4
71.58939	4.3
72.99165	2.9
73.02800	3.7
77.74092	1.9
83.01237	2.0
85.02839	5.1
89.02315	6.0
89.93479	2.4
93.03326	6.6
96.95882	3.3
99.00749	6.3
101.02296	4.5
108.02065	3.6
113.02296	5.6
116.33836	2.1
119.04917	72.5
120.05282	2.9
121.02863	6.1
125.02307	7.4
135.04427	4.3
137.02325	4.9
149.02359	4.4
150.03136	5.8
151.03886	2.7
161.02335	5.1
162.03098	4.6
163.03835	2.1
165.01964	3.0
165.05519	2.0
168.73906	2.0
175.03944	3.3
176.08344	7.2
179.07056	6.0
180.80492	2.1
182.33623	2.3
187.07626	2.5
191.05487	4.6
191.07079	5.2
192.07809	2.3
201.11041	2.2
203.07082	7.7
204.07838	22.7
205.08647	31.4
207.10234	2.6
208.03500	2.5
216.07813	6.4
217.08643	63.7
218.09254	9.1
219.10216	100.0
220.10580	6.2
232.11095	4.2
233.11685	4.1
245.11766	3.4
283.82306	2.6
283.85831	2.2
285.79877	2.4
323.12863	41.1
324.13492	2.7
338.15259	22.9
339.16046	13.4
483.20471	3.7
513.19501	5.0
515.31403	2.7
543.21411	4.6
555.20966	29.3
556.20837	4.5
597.22052	3.6
615.24390	41.5
615.33771	1.4
616.24756	6.5
633.25537	24.8
634.25336	4.1
657.25470	22.0
675.26526	62.4
676.26501	11.1
717.27570	4.3
777.28571	3.6
819.31781	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	963.6869
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75976	0.4
69.71208	2.0
71.01255	1.1
72.21162	0.4
81.03328	7.2
82.03602	0.5
83.01188	0.5
83.04898	16.5
85.02847	0.5
86.54751	0.4
93.03342	0.5
96.95906	2.2
101.02341	0.6
108.04408	0.6
109.02834	0.8
125.02338	5.0
125.07080	1.1
126.05478	0.5
134.03659	0.6
135.04384	0.9
137.02316	1.5
143.08145	0.5
149.02318	1.0
150.03128	0.7
151.03920	1.2
161.02333	1.5
161.05812	0.5
163.77507	0.5
164.01064	0.4
164.04668	0.6
165.01736	0.5
166.02563	0.6
170.41197	0.4
175.03671	0.5
177.01813	1.3
179.07097	0.9
181.04886	0.5
191.05513	0.9
198.59290	0.4
207.14941	1.2
223.09673	0.6
224.17624	2.7
225.16042	11.6
242.18697	0.5
243.02859	0.6
287.05530	0.6
289.07101	1.1
309.21866	1.0
320.23355	0.4
324.26456	0.5
333.22806	0.5
334.31125	0.4
341.29074	1.3
367.27295	0.9
385.12936	0.5
407.07608	1.0
425.08765	0.8
433.31763	1.4
450.34515	1.0
451.32907	8.9
452.33212	0.6
550.43176	1.0
567.45795	0.5
577.14172	0.6
666.51636	0.6
677.49823	1.7
776.61145	0.6
903.66522	100.0
904.66858	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	965.257
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	1.4
71.58927	1.4
83.01247	1.2
85.02821	1.7
96.95902	1.2
101.02328	0.9
125.02331	4.6
133.02861	8.3
161.02373	0.8
162.55188	0.8
163.00256	1.1
163.03827	0.9
173.02339	1.2
175.00244	3.2
175.03902	1.5
177.01750	1.1
191.03404	1.5
191.05498	1.4
193.01338	0.9
237.05490	1.1
243.03081	1.0
265.04947	2.0
267.02850	1.3
281.04602	1.2
284.03238	3.6
285.03983	3.2
297.04056	10.1
298.04785	5.6
299.05554	6.6
309.04044	51.3
310.04318	3.0
311.05521	1.5
327.05087	46.5
328.05499	3.9
339.05154	2.1
357.06177	21.1
358.06616	1.6
369.05994	2.2
393.06052	1.4
409.16129	0.8
429.08353	15.2
430.08603	1.9
489.10406	13.3
609.14587	100.0
610.15118	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	963.5812
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01318	2.9
72.12617	0.5
78.95776	7.7
84.40733	0.5
98.20473	0.6
105.96601	0.5
110.98389	3.8
152.99530	5.1
167.01076	1.2
171.00534	1.3
180.73604	0.5
185.02110	3.3
227.03195	0.5
245.04266	6.7
253.21748	3.6
279.23291	100.0
280.23608	4.6
447.25186	34.7
448.25568	2.0
481.25687	10.0
482.25754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	10.0
71.58315	3.2
73.02816	4.0
83.01283	2.2
85.02799	2.7
87.00759	4.1
89.02319	13.6
97.02853	2.3
101.02335	10.2
113.02351	7.4
119.03423	2.8
125.02338	4.5
137.58109	1.9
143.03403	3.6
161.04512	5.1
175.00864	2.1
183.13829	8.5
185.72812	2.1
211.13347	100.0
212.13689	2.9
235.08252	4.8
279.23300	51.3
287.07666	2.3
305.08823	3.4
327.21808	2.7
379.12299	9.8
397.13507	37.8
415.14545	6.6
591.26361	9.7
609.27515	10.1
677.37610	3.2
875.44861	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	961.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.3
71.01254	15.6
71.54595	1.5
71.92368	0.8
72.99168	1.4
73.02818	2.5
81.03349	0.9
83.01256	2.2
85.02811	4.2
87.00758	4.9
89.02328	15.9
91.37806	0.9
95.01263	1.6
96.95882	4.1
97.02842	2.6
99.00767	1.3
101.02328	13.1
113.02339	7.5
119.03411	4.2
125.02361	7.4
131.03276	0.9
143.03403	2.3
161.04474	3.5
179.05537	3.9
183.13835	6.2
193.12263	2.0
211.13347	100.0
212.13675	3.4
217.07120	1.0
221.06679	2.6
235.08228	4.5
253.09357	1.4
271.60257	0.8
277.21729	57.8
278.22079	2.4
287.07764	1.6
305.08914	2.8
379.12531	13.1
397.13480	48.1
398.13870	2.6
415.14566	8.5
556.05408	1.0
591.26587	6.9
592.26105	1.5
609.27734	5.7
633.20325	0.9
657.35052	2.9
675.35999	5.4
687.70654	1.1
869.49268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01274	0.6
71.58273	0.4
78.95368	0.4
78.95777	4.7
81.42008	0.3
110.98411	3.3
125.02356	0.4
145.82426	0.3
154.46298	0.3
162.93239	0.3
167.01102	1.3
185.02142	4.0
205.19626	0.3
213.10953	0.3
233.22728	0.4
235.64517	0.3
247.09410	0.3
259.20581	0.5
275.20221	0.3
277.21719	100.0
278.22052	6.4
397.14041	0.4
445.23621	40.5
446.24002	3.4
633.55402	0.3
867.45123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.5
69.71334	2.6
69.71752	1.8
71.01255	16.7
72.99184	1.6
73.02819	2.6
73.15237	0.5
81.35007	0.6
81.45023	0.6
83.01241	1.1
85.02818	3.4
87.00757	4.0
89.02319	12.6
95.01262	1.3
97.02843	2.3
99.00761	0.9
101.02321	11.1
101.68816	0.6
103.03864	0.7
111.04382	0.6
113.02319	6.4
115.48159	0.6
119.03407	2.6
125.02354	6.5
135.18684	0.6
139.03792	0.7
141.01620	1.3
143.03398	2.0
161.04466	3.1
179.05502	4.3
183.13823	5.9
193.12308	1.4
211.13348	100.0
212.13617	2.9
221.06738	1.6
235.08136	5.0
249.48885	0.6
259.08347	0.8
261.79584	0.6
277.21732	49.2
278.22061	2.1
287.07755	1.5
297.27704	0.7
305.08752	1.4
308.25644	0.6
311.38882	0.6
323.10007	1.3
379.12469	10.5
380.12543	1.0
397.13525	34.0
398.13943	1.6
415.14572	7.1
416.14786	0.7
591.26642	8.4
609.27759	7.0
657.34570	0.8
675.36188	3.2
676.35681	0.8
869.49054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59387	0.7
83.86958	0.8
93.03331	2.5
96.95887	1.3
98.29646	0.6
108.02031	1.3
109.02856	1.3
117.03359	8.6
119.04922	100.0
120.05245	3.1
121.02850	3.5
122.03618	3.5
123.04429	2.2
125.02380	1.2
133.02852	1.4
133.06506	0.7
134.03665	1.5
135.04375	0.8
136.01590	3.5
137.02351	2.6
141.67111	0.7
145.02863	9.8
146.03685	3.1
147.04402	0.7
149.02351	5.9
149.06036	0.8
150.03149	17.0
151.00275	1.3
151.03951	4.5
161.06013	2.2
162.03143	3.3
163.03925	38.5
164.04628	3.1
165.05496	10.5
166.02576	2.7
173.41768	0.7
176.01071	1.0
177.01901	1.1
177.05492	15.1
178.02525	0.6
179.07045	4.4
180.04240	1.4
181.05008	5.6
188.04552	0.6
191.03552	1.0
192.04170	1.0
195.06516	2.9
205.05005	0.8
206.05891	0.7
209.04518	0.6
217.05164	0.7
219.06563	3.2
245.80908	0.6
291.56882	0.7
355.11984	1.4
368.11868	0.6
401.12305	2.2
403.14496	0.7
563.19293	1.6
567.19031	0.9
727.24927	1.0
757.25043	5.8
758.25635	2.5
759.26355	5.9
760.26245	1.4
813.27557	4.7
814.28766	0.9
832.30731	0.6
907.31555	4.4
919.32086	1.0
937.33148	3.8
955.33679	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	951.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	8.6
69.28730	1.8
69.64749	15.3
69.65154	2.7
71.01250	5.5
83.04878	2.5
92.98640	2.0
96.95913	5.9
101.02372	1.9
119.08544	8.4
127.11191	2.6
135.08057	2.8
137.09628	41.2
171.10185	100.0
172.10539	3.1
177.74355	2.1
183.13850	3.7
192.11623	2.3
193.12419	2.3
201.11220	5.5
209.11774	6.6
211.13341	82.2
212.13707	5.3
220.14714	5.7
221.15375	12.5
226.08548	2.1
232.90977	2.4
236.10507	6.2
291.19696	6.9
293.17548	4.0
309.20694	89.3
310.21017	6.4
311.22122	4.4
347.15524	3.5
381.15613	5.8
397.13672	3.3
429.20941	2.5
446.16180	8.0
447.16946	4.1
447.22351	11.0
503.22986	3.0
519.26215	2.7
555.28540	2.6
584.26636	7.2
623.34369	7.0
624.35144	2.4
641.33868	10.9
657.36884	2.8
729.67938	2.3
843.46509	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	951.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.9
71.01255	38.6
71.59000	0.7
72.99188	1.9
73.02824	9.3
75.00748	1.3
83.01270	5.2
84.41611	0.4
85.02828	13.9
86.03145	0.6
87.00753	2.4
89.02319	22.3
90.02671	0.5
94.25887	0.4
95.01260	3.3
96.95911	2.4
97.02829	0.8
99.00762	3.4
101.02325	27.3
113.02331	16.2
119.03389	7.1
125.02350	2.2
129.01823	0.8
131.03386	1.0
143.03415	2.8
145.06461	0.5
149.04494	1.0
159.02901	2.4
161.04462	9.9
179.05571	1.3
189.12773	0.6
203.05573	1.0
207.13770	0.8
225.14970	0.8
226.15358	0.7
235.88625	0.5
269.17563	0.8
335.50299	0.5
369.19098	2.1
370.19504	1.4
371.20709	17.9
372.21210	1.2
387.20212	2.3
388.20737	2.7
389.21808	45.1
390.22226	2.8
396.55563	0.5
412.20966	0.5
415.19827	0.7
429.21255	3.9
430.21579	3.3
431.22839	100.0
432.23157	6.7
433.22723	0.9
475.22070	0.5
663.02960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	1.2
71.01256	18.9
71.35678	0.8
72.99181	1.6
73.02821	2.7
75.00757	0.7
81.03334	0.8
83.01264	2.4
83.04923	0.4
85.02824	3.9
85.44659	0.3
86.09962	0.3
87.00739	4.2
89.02319	16.8
91.03894	0.5
94.48040	0.3
95.01260	1.6
97.02837	3.9
99.00751	1.3
101.02324	15.0
111.04372	0.5
113.02337	7.1
113.09606	1.4
115.03960	0.4
119.03395	5.1
121.02872	0.4
125.02333	7.4
131.03381	0.6
133.04950	0.9
143.03412	2.9
149.04428	0.7
149.90260	0.3
161.04468	3.8
171.10175	1.4
177.12872	0.4
179.05553	2.7
179.14352	0.7
181.12288	0.4
185.04529	0.5
195.12021	0.7
195.13843	15.0
196.14111	0.8
217.07034	0.7
221.06616	1.2
235.08202	9.0
253.09203	1.8
255.23279	45.2
256.23532	1.8
263.07687	0.6
277.21732	15.9
278.22046	0.9
287.07703	2.9
293.25552	0.3
295.22781	100.0
296.23126	6.0
305.08765	3.0
323.09753	0.9
379.12534	0.6
397.13504	75.7
398.13837	3.2
415.14554	21.3
416.14835	0.9
576.11920	0.4
653.37488	4.4
670.34131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41929	10.4
71.01255	33.3
72.99203	1.5
73.02814	10.1
83.01269	4.2
83.04908	1.6
85.02821	8.2
87.00745	2.7
89.02319	20.0
95.01271	2.8
98.20544	1.4
99.00772	2.4
101.02323	24.4
109.97427	1.1
113.02334	13.3
119.03393	8.8
125.02338	2.7
126.58597	1.7
131.03384	2.1
143.03386	4.2
149.04442	1.5
159.02856	1.5
161.04482	10.0
179.05511	3.9
225.14854	4.8
231.05481	1.1
305.63806	1.2
340.37610	1.2
369.19168	31.6
370.19446	2.5
371.20743	3.6
387.20264	34.4
388.20511	3.1
389.21863	9.2
414.08047	1.1
429.21295	100.0
430.21783	7.4
431.22873	26.5
432.22977	1.8
566.85510	1.4
652.91602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38163	1.4
69.38583	0.7
71.00896	0.3
71.01258	3.4
72.99190	0.4
73.02817	0.5
83.01273	0.5
85.02833	1.3
89.02328	1.8
93.03369	0.2
95.01276	0.4
95.77310	0.2
101.02314	1.7
103.01783	0.2
113.02329	1.0
117.03338	8.2
118.03673	0.2
119.03355	0.4
124.13998	0.2
125.02325	0.4
131.01259	1.4
135.04373	0.4
161.02321	0.7
163.03897	0.6
173.02374	5.3
175.00284	8.0
185.02316	0.3
189.01747	0.3
191.05592	0.3
193.06424	0.4
214.36797	0.2
221.06076	0.4
237.05589	0.5
249.05476	1.2
251.03587	0.5
265.05048	0.8
269.04672	0.7
269.10306	0.3
281.04468	0.6
282.05460	0.5
283.06079	2.7
293.04550	100.0
294.04910	6.5
295.06055	0.4
311.05569	5.3
312.05954	0.3
314.04288	0.6
323.05554	0.7
335.05539	1.0
413.08771	32.5
414.09113	3.0
473.10938	1.3
593.15106	72.3
594.15436	8.7
718.29730	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	947.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50909	0.4
68.38861	0.4
69.03348	2.0
71.01255	24.1
71.58259	0.4
71.58685	0.4
72.01592	0.4
72.99191	2.3
73.02824	3.4
75.00748	0.7
81.03343	0.9
83.01261	2.9
83.04840	0.5
85.02829	5.3
87.00753	5.3
89.02319	19.3
91.03892	0.4
95.01248	1.2
95.04841	0.4
95.86430	0.4
97.02826	4.1
99.00753	1.0
100.11015	0.4
101.02326	18.2
111.00766	0.5
111.04394	0.7
113.02325	10.9
113.09611	8.3
119.03391	5.7
121.02798	0.5
124.01574	0.7
125.02331	9.1
127.03930	0.7
131.03413	0.6
133.04959	1.3
139.03944	0.9
139.11176	0.5
141.01740	0.4
143.03401	3.3
161.04428	5.0
167.10712	0.9
169.05011	0.5
173.43747	0.4
179.05531	4.6
179.10732	0.8
195.13818	1.4
199.05962	0.4
209.11679	0.7
217.07008	0.9
221.06627	1.4
221.15358	1.0
233.15564	0.5
235.08194	10.1
236.10660	0.6
245.06654	0.6
249.22240	1.0
253.09271	2.1
255.23277	60.0
256.23584	4.5
275.19937	0.8
287.07782	3.3
293.21222	50.1
294.21545	3.2
305.08853	5.0
306.09131	0.5
323.09848	1.0
379.12503	0.8
397.13498	100.0
398.13824	7.5
399.14160	0.8
415.14584	28.7
416.14767	2.0
460.24518	0.5
653.37531	5.7
654.38354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01790	4.7
71.01241	5.7
74.25334	4.0
83.01256	11.7
85.02821	100.0
93.03327	17.3
96.51687	3.8
101.02335	4.1
109.02825	18.4
111.00780	34.7
111.04396	5.9
119.04910	14.5
121.02843	6.9
123.04423	26.6
123.80228	4.3
125.02329	87.9
129.01843	32.9
133.02841	9.0
135.04460	4.1
137.02362	21.9
149.02344	9.1
151.03943	10.9
153.01764	4.5
161.02333	27.4
161.06003	4.2
163.03908	15.5
173.04475	17.5
175.03877	8.4
177.01826	30.2
179.03209	4.1
187.03851	4.4
191.05528	99.6
203.07108	6.6
205.03439	38.3
205.05028	5.1
223.04553	58.6
229.30029	5.4
245.08206	10.5
255.02898	8.2
273.03873	5.4
287.05542	11.5
289.07193	51.5
369.08270	56.3
407.07727	50.2
408.07932	6.5
423.07129	6.1
425.08801	52.5
441.08154	7.2
451.10373	12.7
577.13550	30.7
578.13715	5.0
593.12463	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	945.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12083	2.5
71.01250	17.4
71.58516	4.0
73.02818	5.2
78.95786	4.9
85.02821	5.1
87.00744	7.1
89.02332	8.7
94.58418	2.3
96.56013	2.4
97.02841	12.0
99.00756	21.5
101.02329	11.2
113.02320	6.8
125.02341	10.8
125.09635	5.2
143.03395	5.3
157.77931	2.6
161.04465	3.4
163.11171	9.7
181.12257	20.9
182.12521	3.6
183.01012	2.8
199.13336	6.9
207.10208	56.0
209.11775	4.2
225.11278	100.0
227.12903	4.4
235.08026	5.2
243.12367	40.6
277.21704	5.9
279.23297	65.4
280.23639	4.8
287.07697	2.8
317.15875	3.1
379.12418	3.3
390.31067	3.2
397.13623	16.0
425.08179	2.7
490.49597	2.6
605.24585	29.4
606.23993	3.6
623.25659	32.0
624.25891	3.1
885.48590	97.0
886.49188	19.7
983.34088	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	945.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03040	0.9
69.03360	1.2
71.01257	25.0
72.99174	2.1
73.02805	4.0
75.00737	1.8
83.01261	2.9
85.02810	4.5
87.00745	6.5
89.02321	20.0
94.58811	1.0
95.01257	1.7
97.02826	3.9
98.20708	1.5
99.00775	1.5
101.02327	20.1
107.93272	0.8
113.02332	10.6
119.03407	5.7
121.02805	1.4
125.02342	10.9
125.09609	1.0
143.03429	5.6
153.12675	1.2
161.04433	2.2
167.03357	1.0
179.05508	4.0
185.11856	1.5
199.13356	3.8
209.04416	1.1
209.11775	2.7
221.06691	1.6
225.33488	1.0
227.12866	3.5
229.45836	1.2
235.08197	10.8
253.09172	2.5
255.23286	61.3
256.23611	2.6
263.07901	1.1
263.20166	4.2
273.18634	3.5
277.21677	4.8
287.07690	4.2
291.16318	1.7
291.19650	35.9
292.19919	2.0
305.08783	3.9
323.09869	2.3
379.74536	1.0
397.13501	100.0
398.13647	4.5
415.09009	1.7
415.14578	32.1
416.14813	1.1
465.36572	1.1
653.37421	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	943.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	19.4
72.99215	2.0
73.02819	3.5
83.01247	3.1
84.55917	1.6
85.02836	7.6
87.00757	8.2
89.02327	10.0
95.04969	2.5
97.02843	11.3
97.06502	2.7
99.00762	21.7
101.02321	9.5
109.06463	2.3
113.02343	5.8
119.03359	2.6
125.02338	11.0
125.09608	8.5
136.05273	2.0
161.04509	2.1
163.11180	11.4
176.63333	2.0
179.05573	2.6
181.12276	23.2
199.13383	3.7
207.10219	63.9
208.10559	2.7
209.28827	1.9
225.11275	96.7
226.11713	3.6
229.76947	2.1
235.08197	4.0
243.12364	39.1
277.21701	56.9
278.22046	3.9
304.08002	2.0
317.16104	3.0
397.13583	8.6
421.24066	2.1
605.24402	30.0
606.25220	3.2
623.25586	31.9
624.26282	2.2
761.16223	2.2
883.46985	100.0
884.47516	24.0
886.13464	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	945.507
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08939	23.7
71.01266	26.4
73.02818	9.7
76.63885	4.9
78.95785	8.3
83.65061	5.0
85.02825	9.6
87.00761	9.9
89.02330	16.5
94.26870	5.5
97.02842	10.9
99.00773	25.7
101.02317	18.0
113.02319	10.6
125.02310	8.5
161.04457	7.6
163.11166	12.4
165.85573	5.5
169.12207	6.6
181.12263	26.0
185.11789	10.8
199.13383	28.8
207.10237	45.3
209.11642	12.1
225.11272	74.3
227.12862	24.6
243.12323	23.7
251.02818	5.1
255.23354	5.2
277.21725	37.8
279.23260	66.6
286.82446	5.0
379.12448	9.5
397.13486	38.4
605.24707	24.3
606.24774	6.5
616.44153	5.5
623.25671	8.9
674.19299	5.3
885.48553	100.0
886.49896	13.0
984.22003	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	943.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26662	1.0
71.01263	1.9
75.15486	0.8
95.38284	0.9
98.20615	1.4
98.73364	0.8
102.73054	0.9
113.02409	0.8
119.22163	0.8
125.02350	1.9
133.02844	13.8
133.03819	1.4
143.26881	0.8
147.04488	1.2
149.02415	0.9
163.00302	1.0
163.03973	1.6
165.01872	0.9
173.02345	1.6
175.00282	4.9
175.03914	1.6
191.03494	1.3
193.01364	1.8
199.04118	0.9
201.01857	1.0
213.05431	1.2
229.68980	1.1
237.05722	1.0
255.02917	0.9
265.05023	1.3
267.02972	3.4
268.07681	0.9
269.04468	0.8
276.21533	0.7
281.04602	1.5
284.03305	4.8
285.03915	5.1
297.03992	10.6
298.04770	9.7
299.05615	10.1
309.04034	74.6
310.04440	4.2
311.05630	1.7
325.03366	1.0
327.05090	65.4
328.05444	2.4
339.05249	2.6
357.01724	1.4
357.06161	28.7
357.10471	1.6
358.06415	1.3
369.06207	2.0
393.06006	0.9
429.08154	16.0
430.08853	1.3
489.10403	13.9
490.10861	1.1
609.14587	100.0
610.14917	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	943.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	19.5
71.58080	4.0
71.58461	4.7
72.99189	4.2
81.03323	4.9
85.02834	5.5
87.00764	4.8
89.02320	15.8
97.02815	15.6
99.00774	27.6
101.02321	13.8
113.02325	6.5
117.39247	3.9
121.89395	3.3
125.02325	6.8
125.09605	7.7
138.64438	4.2
161.04500	5.5
163.11188	15.9
169.96426	5.0
181.12230	27.1
207.10225	67.7
225.11290	100.0
226.11635	7.7
243.12364	32.6
277.21710	71.6
294.51950	4.4
358.07486	3.9
397.13391	13.3
427.28479	11.1
581.73529	3.6
593.57617	4.3
605.24469	19.5
623.25323	9.6
633.77740	4.1
653.88696	3.9
683.87238	3.8
883.46942	96.3
884.47308	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26235	0.3
71.01254	0.4
74.60489	0.3
96.95880	0.6
97.06477	0.6
123.08045	0.7
125.06007	0.4
125.09624	2.3
127.85497	0.4
139.11156	0.8
141.09099	1.5
141.12749	0.9
151.07587	0.6
153.09094	1.2
155.14334	1.1
171.10155	1.4
181.15982	0.6
199.09703	0.7
200.10443	1.8
202.15865	0.4
212.41791	0.3
222.08604	0.8
237.22101	0.4
249.22163	1.9
265.21677	1.0
267.23245	1.2
275.20065	0.6
283.22897	0.5
293.21222	5.6
294.21515	0.7
311.22275	100.0
312.22656	6.6
333.20560	1.1
363.49823	0.4
623.34381	1.0
882.71118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01202	1.0
71.58127	1.5
73.02821	1.2
79.79839	0.9
85.27795	0.9
96.95901	1.4
117.89220	1.0
125.02367	1.0
191.05579	1.5
196.32297	1.1
209.11795	1.6
277.21661	1.2
291.19656	1.5
452.15106	1.4
481.15079	2.2
495.16806	7.6
496.17120	1.5
536.17273	2.0
540.16663	2.4
551.19391	23.5
552.19562	4.1
553.19214	2.1
572.15680	2.6
586.17371	3.0
587.17487	1.5
595.18256	2.0
597.17944	1.0
627.20959	100.0
628.21301	21.7
629.20923	11.3
645.21472	0.9
883.49152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36052	0.3
69.35099	2.3
71.01237	0.6
73.02829	0.3
74.91304	0.2
81.03362	0.3
83.04925	0.3
85.02823	7.2
87.00755	1.5
93.03336	3.0
104.20741	0.3
107.04893	0.2
109.02871	1.5
111.04396	0.7
123.04397	0.6
125.02340	4.4
127.03924	1.7
128.68709	0.2
133.02849	1.4
135.04411	1.0
137.02333	1.2
140.94148	0.2
149.02342	0.3
151.03862	0.4
161.02345	3.5
161.05965	0.4
171.02907	0.6
173.04457	1.3
175.03928	0.5
177.01923	0.5
179.03432	0.7
187.03903	0.5
191.05539	100.0
192.05914	2.1
203.07089	0.3
205.04895	0.4
245.08159	0.6
255.02948	0.6
287.05615	0.4
289.07193	2.3
353.08762	18.3
354.09232	1.2
407.07599	2.9
408.08066	0.2
409.86087	0.3
425.08734	3.1
426.09439	0.5
451.10532	0.7
507.42099	0.3
577.05341	0.3
577.13519	1.5
578.13922	0.3
716.30981	0.3
730.30078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03860	1.1
68.87234	1.1
70.57827	4.0
81.03355	2.8
83.01263	4.4
84.56996	1.2
84.57524	1.0
85.02836	5.2
87.00771	1.3
93.03336	5.2
95.04865	1.3
97.02841	4.0
109.02834	20.8
117.03397	1.2
121.02813	2.9
123.04411	14.3
125.02341	100.0
126.02702	3.4
133.02856	5.8
135.04414	5.2
137.02344	26.2
139.03911	3.4
147.04384	1.2
149.02419	6.7
151.03912	15.2
159.04419	3.6
161.02359	30.8
161.06001	4.5
162.03003	1.6
163.00296	2.2
163.03897	4.0
164.01048	4.6
165.01828	5.6
167.03381	2.3
173.04529	2.6
173.05943	1.5
174.03162	1.7
175.03947	12.5
175.07558	1.2
177.01918	7.4
177.05441	1.5
179.03456	6.5
187.03922	6.2
188.04704	3.5
189.56821	1.1
191.05545	42.3
192.05919	1.9
202.06227	2.0
203.03464	2.2
203.07047	11.0
205.01392	3.0
205.04929	7.1
213.05411	1.7
215.03534	1.7
217.04958	1.5
219.02707	1.1
221.08002	1.5
224.41856	1.1
227.03537	1.9
227.07040	2.1
229.04977	3.6
231.02965	1.5
243.02991	4.8
245.04436	4.8
245.08145	21.0
253.05090	1.7
255.02972	10.2
256.03748	5.8
257.04333	1.3
269.04541	3.0
271.05875	1.8
273.03946	4.3
281.04602	5.5
283.02582	1.2
285.03976	4.8
287.05719	12.2
287.79987	1.2
289.07187	61.1
290.07559	4.6
297.04108	1.5
299.05612	4.5
315.08893	1.7
315.13058	1.2
339.08716	7.1
344.48468	1.1
353.08670	2.6
381.09473	1.7
407.07675	59.3
408.07843	6.3
425.08813	47.0
426.09103	5.5
451.10287	15.9
452.11078	2.6
478.20392	1.6
559.12830	2.0
577.13501	36.5
578.13702	5.7
741.15454	1.6
906.53442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	4.5
71.57890	1.9
71.58273	1.9
75.25605	1.0
85.02826	2.3
87.42929	1.0
88.51600	1.1
94.16450	1.2
96.95876	2.2
97.02818	1.6
101.02303	2.4
108.01972	1.6
109.02841	22.8
113.02327	2.7
118.36921	1.2
123.04417	11.1
125.02309	2.7
133.02863	5.5
134.03658	2.1
135.04314	1.6
137.02316	4.4
147.04387	2.3
149.02348	1.4
149.77974	1.5
150.03102	1.7
151.03889	7.4
159.04417	1.5
161.02368	7.6
161.04414	1.7
162.03073	4.9
163.03886	4.0
177.01862	32.9
179.03366	1.1
187.03893	3.4
188.04684	1.6
189.01871	35.4
190.02660	13.2
191.03426	5.4
191.05341	2.2
203.03394	3.3
203.07056	1.6
205.30000	1.2
216.00571	5.6
217.01367	24.1
219.02908	9.1
222.01523	1.4
227.06985	1.6
231.02962	5.9
255.06783	1.3
275.09262	1.5
281.04666	9.6
287.05566	2.0
289.07278	1.8
297.07657	4.8
299.05606	16.6
341.06653	93.4
342.06915	5.3
387.20148	3.4
429.21194	4.6
451.10358	100.0
452.10678	8.6
653.37445	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	927.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47792	4.8
71.01244	1.9
73.02801	0.7
75.56101	0.6
85.02814	0.9
89.02319	1.1
93.03335	0.9
95.04887	1.1
96.95853	1.1
101.02316	1.4
102.15555	0.6
109.02837	15.4
113.02330	1.1
117.03374	1.1
119.04906	1.8
123.04417	9.9
125.02338	1.3
133.02861	2.6
134.03603	0.7
135.04425	0.5
145.02811	0.8
146.73199	0.5
147.04430	2.5
149.02342	1.2
150.03130	1.1
151.00291	1.0
151.03912	5.2
159.04471	0.7
161.02339	5.2
176.01006	0.5
177.01851	17.0
178.02173	1.2
187.03860	1.1
189.01865	39.0
190.02605	9.3
191.03403	8.5
191.05498	1.9
201.01758	0.7
202.05736	0.6
203.03412	5.7
216.00591	6.3
217.01370	32.5
218.01886	2.3
219.02942	11.6
223.06242	0.6
231.02950	9.6
232.03612	1.3
233.04453	0.6
281.04465	1.0
287.05554	0.6
289.07202	2.1
297.07745	0.7
299.05701	0.8
323.05536	1.5
341.06644	80.3
342.07031	7.1
343.07233	1.1
371.20520	1.0
389.21655	1.5
431.22791	2.2
434.88068	0.5
447.05109	0.6
451.10342	100.0
452.10623	9.0
453.10947	2.3
473.98996	0.6
483.63348	0.6
572.51532	0.6
717.51501	0.7
842.39313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87088	11.4
71.01257	14.9
73.02820	3.5
77.37221	1.9
83.04913	2.7
85.02839	4.1
87.00753	4.7
89.02319	12.3
96.95889	2.1
97.02847	2.7
101.02324	16.1
103.77189	2.1
113.02383	5.6
125.02388	4.8
151.49341	1.8
163.11237	3.3
165.12822	4.3
179.05515	2.3
199.13327	2.0
209.11778	100.0
210.12149	2.8
227.12785	13.6
235.08200	3.6
255.23253	57.0
256.23633	4.1
305.08438	2.0
379.12430	15.1
397.13483	43.9
398.13779	2.8
415.14569	7.0
422.36780	2.2
653.37781	2.9
888.13287	2.3
888.61633	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	919.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	100.0
71.58363	4.8
72.99158	3.9
73.02823	4.0
78.95792	4.9
79.95615	4.5
83.01274	3.5
85.02840	9.0
87.00745	11.0
89.02317	19.3
95.01317	2.5
96.95888	42.4
97.02814	8.1
101.02338	16.5
106.13308	3.1
109.06471	10.4
113.02346	15.0
119.03401	5.2
121.02923	3.0
125.02335	10.8
127.11172	4.9
127.51548	2.8
143.03378	3.9
161.04512	5.5
163.11229	4.8
171.10184	62.2
179.05612	5.0
181.12225	4.2
193.08160	2.9
199.09755	20.9
201.11266	34.7
207.10216	26.2
209.11710	4.5
221.06650	6.4
225.11269	22.5
235.08252	5.5
243.12352	3.8
267.71597	2.6
277.21722	61.6
278.22067	4.3
379.12347	4.9
397.13486	33.9
398.14117	3.6
415.14542	11.2
551.43860	3.1
623.25391	6.3
883.46936	9.0
919.47961	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	921.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29919	2.2
71.01255	13.1
71.81797	2.0
85.02829	2.9
87.00758	5.8
89.02316	7.0
91.87581	2.0
97.02828	10.4
99.00751	21.7
101.02341	8.9
109.06523	2.5
113.02351	6.5
119.03417	2.4
125.02312	6.3
125.09644	6.8
143.60587	2.3
148.38150	2.3
163.11200	11.5
181.12247	12.0
182.06314	2.2
207.10228	50.4
221.87064	2.5
225.11275	82.4
226.11774	2.6
243.12326	26.4
255.23276	65.2
256.23532	3.2
264.72302	2.5
397.13486	9.7
433.75888	2.3
440.69104	2.3
440.80609	2.3
474.42780	2.3
605.24677	19.1
623.25586	7.7
638.77783	3.0
689.39038	2.7
861.48529	100.0
862.48999	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	919.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87553	4.9
68.89890	5.0
69.49084	46.5
71.01257	93.7
73.02807	37.9
83.01279	16.0
85.02825	48.0
88.06067	4.8
89.02336	11.9
95.01281	8.7
96.95913	9.1
99.00773	9.6
101.02328	76.2
113.02318	32.1
119.03438	9.2
123.04444	6.7
125.02389	10.9
134.03650	5.0
137.02362	23.8
150.03117	9.1
151.03886	30.0
152.04700	21.6
159.02983	5.4
161.04459	31.3
165.05515	9.1
173.25914	5.4
178.02652	10.6
193.05000	19.7
196.03699	57.0
211.06097	17.7
339.82639	5.6
373.22333	100.0
415.23462	59.8
531.17273	7.1
623.22906	6.4
919.34174	24.5
920.32697	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	915.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	3.3
71.58363	1.4
72.99199	3.2
75.00745	18.0
85.02827	10.0
87.00749	2.5
89.02313	2.3
97.02847	1.5
99.00687	1.0
101.02346	2.7
129.01837	100.0
130.02205	2.2
135.02888	33.9
170.43738	1.0
171.10210	1.7
175.02345	2.2
207.10220	1.3
209.11833	1.8
221.85434	0.8
239.12796	1.7
247.04538	1.2
277.21701	6.6
406.38943	1.1
521.87372	1.2
541.71552	1.2
781.44342	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	917.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87436	0.8
71.01257	1.4
71.57470	1.1
74.77005	0.8
82.11525	0.8
89.02330	1.1
91.76133	0.9
101.02338	1.1
101.76640	0.9
125.02341	2.7
125.37415	0.8
133.02855	7.8
145.73593	0.8
149.02393	0.9
161.00385	1.0
161.02356	1.3
163.00237	1.2
173.02271	1.4
175.00287	3.4
175.03947	1.8
177.01900	1.0
253.04994	1.7
265.04996	1.5
267.02872	1.7
281.04700	1.0
284.03311	2.4
285.03937	4.0
297.04028	9.0
298.04813	6.9
299.05618	7.0
309.04050	52.8
310.04227	4.1
311.05518	1.6
327.05112	50.1
328.05331	3.7
339.05170	3.0
357.06116	22.1
358.06415	1.7
369.06409	1.5
429.08289	14.0
489.10315	12.9
609.14612	100.0
610.15015	11.6
723.46826	0.9
825.54724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.388
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60195	1.7
69.38299	20.1
71.01257	48.1
73.02827	18.0
78.53677	2.4
83.01249	9.6
85.02826	22.9
87.00721	3.1
89.02310	9.0
95.01260	4.1
97.02835	2.6
99.00760	16.0
100.17561	2.0
101.02336	35.0
111.00814	2.6
113.02351	23.0
125.02341	5.0
130.56911	2.0
137.02396	2.1
143.03333	3.9
148.05212	70.4
152.01115	2.2
159.02884	3.1
161.04477	23.5
163.07558	63.4
163.08914	3.3
164.07837	2.3
191.05460	4.8
207.84573	2.1
235.89282	2.0
249.97630	1.9
271.50174	2.2
353.19424	2.3
357.24863	2.6
371.20737	32.5
372.20642	3.0
413.21857	32.2
457.17169	100.0
458.17340	10.9
502.48465	2.6
535.31274	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	913.552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	1.4
71.01249	47.9
72.01609	2.2
72.99180	3.8
73.02831	3.5
83.01255	4.7
85.02820	7.3
87.00753	10.1
89.01761	2.0
89.02316	42.3
90.02681	1.2
95.01252	2.5
99.00740	1.3
101.02322	21.1
110.94412	1.2
113.02332	22.8
119.03371	17.6
123.08083	1.4
125.02301	1.3
125.09625	4.3
125.40536	1.3
129.65569	1.1
131.03387	4.0
136.79439	1.3
139.11183	1.4
141.12683	1.5
143.03430	6.1
149.04448	1.7
154.25230	1.2
155.14262	1.7
161.04456	11.9
179.05537	19.2
202.81430	1.4
209.11778	3.2
249.22279	2.9
267.23315	1.2
277.21713	85.9
278.22070	18.6
279.22415	3.8
291.19684	3.6
291.23407	4.0
292.20129	3.4
292.41574	1.5
293.21173	7.5
296.50903	1.4
300.13254	1.4
301.21756	1.9
309.20688	3.7
310.21008	3.6
311.17163	6.7
311.22269	100.0
312.22629	5.1
319.22662	3.6
323.05975	2.0
323.09793	32.6
324.10184	5.3
325.10242	2.2
341.10883	60.6
342.11172	8.0
343.11322	5.0
411.85663	1.5
456.42715	1.6
601.32324	18.5
602.32642	4.6
603.33197	2.4
647.70593	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	911.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.8
71.01254	44.9
71.59121	1.1
72.99177	3.1
73.02823	2.4
81.03370	1.0
83.01264	8.0
83.04895	1.5
85.02822	9.9
87.00755	12.4
88.98713	1.2
89.02316	48.6
95.01270	3.4
97.02836	1.7
99.00785	1.3
101.02325	24.8
101.03002	1.2
111.00740	1.2
113.02331	20.5
119.03389	19.3
125.02314	1.7
125.09627	2.4
129.01837	1.1
131.03403	2.8
139.11209	2.2
140.34612	0.7
143.03389	7.5
149.04448	1.7
159.02905	0.8
161.04475	9.3
163.11157	2.4
165.12766	4.4
167.10706	2.1
179.05537	19.9
191.10817	1.6
193.15874	1.2
209.11775	17.1
247.20776	3.7
258.57257	0.7
265.21716	1.1
273.22198	0.8
277.21719	100.0
278.22116	7.9
284.64822	0.8
291.19650	17.5
291.23291	5.0
292.19913	1.1
298.77054	0.7
309.17816	0.6
309.20709	26.7
310.21069	1.8
319.22812	4.9
323.09811	31.8
324.10089	1.6
341.10880	66.3
342.11218	2.4
601.32330	22.4
602.32581	2.4
611.59418	1.0
715.82501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51566	2.5
69.37717	3.7
69.38120	23.1
70.90516	2.1
71.01256	98.3
72.99181	7.3
73.02821	5.6
83.01276	4.6
85.02820	16.5
87.00762	7.4
89.02323	100.0
93.03360	3.6
95.01280	8.0
96.95908	3.0
101.02329	46.4
113.02337	39.4
119.03395	45.2
120.01162	8.2
121.02851	4.6
122.03706	6.5
123.04449	2.8
123.14086	2.7
125.02364	7.4
129.52612	2.4
131.03401	7.5
133.02838	3.6
135.04404	3.3
136.01543	3.6
137.02339	5.2
141.01817	2.7
143.03406	12.3
145.02843	3.6
149.02373	8.2
149.04398	5.2
150.03151	36.0
151.03934	8.1
153.05486	5.4
161.02354	5.3
161.04495	19.4
162.03128	38.8
162.75249	2.7
165.05490	36.6
171.46188	2.6
177.01985	2.4
177.05515	17.0
179.05547	35.6
179.07016	4.1
180.04236	4.3
195.06659	18.9
196.03833	3.5
203.07124	4.1
249.73386	2.8
294.04764	2.4
309.07739	2.9
324.09930	5.4
339.12408	12.0
369.13562	13.7
467.15463	2.7
531.18939	14.0
532.18585	2.7
583.22290	5.3
658.77545	3.0
697.25098	4.0
745.27039	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	903.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	1.2
69.53207	9.1
71.01255	26.4
71.04892	1.3
71.55121	1.1
72.01579	1.0
72.99176	2.6
73.02821	3.0
80.96401	1.4
83.01259	2.2
85.02827	6.5
87.00745	3.0
89.02325	11.2
93.03362	1.1
95.01283	1.9
96.95876	2.8
97.02847	7.1
97.06465	2.0
99.00759	13.4
101.02332	12.0
109.06473	1.9
111.04353	1.2
113.02344	5.5
119.03406	3.1
123.07986	1.3
125.02328	4.6
125.09624	6.5
142.02625	1.0
143.03362	1.2
145.46812	1.0
161.04469	1.9
163.11197	8.1
171.10194	10.0
179.05565	1.8
181.12277	14.4
185.11771	2.4
197.11823	2.2
199.13344	15.1
201.11230	4.2
207.10205	37.4
208.10588	1.8
221.06630	4.1
224.58057	1.1
225.11298	58.4
226.11595	2.5
235.07979	1.8
243.12346	16.4
244.12750	1.3
279.23279	38.1
280.23721	2.3
379.12439	3.1
397.13443	11.7
411.45267	1.5
411.98761	1.3
415.14752	2.9
461.94818	1.1
605.24658	5.3
623.25592	9.1
682.32471	1.2
885.48486	17.7
886.48108	2.4
903.49609	100.0
904.49982	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	903.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34197	1.8
69.03308	2.8
71.01251	21.1
71.38327	3.2
71.38663	2.3
72.99195	2.5
73.02832	3.2
78.95784	2.5
79.95612	2.0
80.96384	2.1
83.01280	3.4
85.02834	4.0
87.00753	3.8
89.02315	12.9
96.95930	2.2
97.02855	6.9
97.06481	3.2
99.00742	11.5
101.02329	9.5
109.06462	2.4
113.02340	7.8
119.03382	4.1
125.02352	6.1
125.09645	5.3
127.11234	2.2
141.01683	2.8
143.03386	2.9
161.04433	2.9
163.11172	8.2
170.49042	2.0
171.10170	12.8
179.05560	2.6
181.12296	12.9
199.09767	2.7
199.13307	7.8
201.11302	5.8
207.10196	24.3
209.11752	5.4
221.06534	2.6
225.11276	36.5
226.11606	3.2
227.12860	2.7
235.08220	3.2
243.12392	11.4
257.29535	1.9
277.21640	4.2
279.23291	55.7
280.23740	2.9
281.42590	2.0
379.12296	2.4
397.13495	17.9
415.14304	5.3
515.81635	2.3
623.25903	5.4
654.59460	2.0
744.27856	2.1
885.49207	13.3
886.46997	3.0
903.49664	100.0
904.49744	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	901.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	2.2
69.26773	1.8
69.27113	15.6
71.01254	23.9
71.04884	3.3
72.99158	2.2
73.02802	4.5
79.52614	1.3
80.96409	1.8
83.01280	2.2
83.36330	1.2
85.02818	5.3
85.32811	1.4
87.00761	3.5
89.02325	12.4
96.95853	2.0
97.02832	6.6
97.06482	1.6
99.00764	13.3
101.02311	13.5
109.06492	2.6
110.03642	1.2
113.02343	7.6
119.03371	3.3
120.61356	1.4
123.08082	2.4
125.02339	5.7
125.09591	5.7
141.01677	1.5
142.02571	2.1
143.03447	2.1
161.04465	2.7
163.11169	7.3
170.37659	1.3
170.55803	1.3
171.10219	11.9
181.12254	10.3
197.11766	3.2
199.09695	2.7
199.13368	8.7
201.11290	5.9
207.08360	2.1
207.10213	29.3
221.06612	1.8
225.11276	38.6
226.11606	2.0
235.08177	1.4
243.12306	12.9
277.21722	45.8
397.13452	14.9
415.14752	2.6
532.03717	1.6
605.24548	2.8
623.25757	5.0
883.47095	15.7
884.46716	2.9
901.48041	100.0
902.48169	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	4.2
71.01257	18.5
71.04903	2.5
71.59127	2.7
72.99162	1.8
75.00735	3.0
79.82737	1.6
80.96398	3.7
85.02816	3.0
85.59747	1.6
87.00753	6.2
89.02302	9.1
91.89758	1.5
95.01250	2.2
97.02824	2.2
101.02322	8.0
113.02349	2.8
115.00223	6.5
119.03345	1.5
125.02340	3.2
125.06732	1.3
125.09621	1.8
151.11192	2.1
155.77660	1.3
161.09654	2.7
171.10181	3.8
175.02428	14.7
179.10693	5.6
187.29208	1.5
197.11774	55.8
198.12094	2.6
218.04950	1.5
221.06557	2.9
223.09773	2.4
225.52821	1.5
235.08238	1.7
241.10878	3.5
277.21713	2.4
279.23346	31.4
280.23517	2.2
372.85922	1.5
379.13058	1.6
397.13647	5.6
479.68597	1.7
783.45673	3.3
853.21539	2.1
890.39490	1.7
901.47992	100.0
902.48505	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	901.481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.7
70.09042	5.9
71.01257	19.6
71.04883	2.0
72.99210	1.6
73.02827	2.5
80.96362	2.3
83.01253	1.9
85.02814	3.9
87.00737	3.3
89.02319	10.6
90.55978	1.2
97.02834	5.1
97.06464	1.3
99.00753	10.6
101.02319	10.1
101.29726	1.3
113.02325	5.0
119.03384	2.4
123.08038	1.2
125.02324	3.6
125.09601	5.2
141.01639	5.8
147.97510	1.2
161.04527	1.6
163.11195	6.7
171.10207	6.5
179.05486	2.2
181.12247	11.9
197.11806	2.2
199.13348	10.8
201.11166	2.1
207.10211	27.2
208.10497	1.7
221.06584	5.1
225.11287	46.4
226.11586	1.7
243.12331	15.1
277.21716	26.5
278.22028	1.7
311.22385	1.5
329.11450	1.0
340.20663	1.3
361.94046	1.2
387.29016	1.5
397.13391	8.2
415.14572	2.6
605.24689	4.3
623.25787	8.3
634.17047	1.3
641.26947	1.4
641.40479	1.3
721.42761	1.5
869.11499	1.6
883.46869	12.8
884.47137	3.4
901.48016	100.0
902.48248	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	899.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10251	2.2
69.03328	5.5
70.87639	4.6
70.87991	3.3
71.01254	42.2
72.99184	12.7
72.99519	1.9
73.02803	5.4
73.08421	1.7
75.00743	42.5
81.03333	2.6
83.01266	2.6
85.02821	14.3
87.00752	28.0
89.02313	14.7
95.01246	2.1
97.02831	6.9
99.00732	2.5
99.04367	2.0
101.02333	14.9
101.67462	1.6
101.75940	1.8
109.02844	4.3
110.56951	2.1
111.00745	2.5
113.02322	7.7
115.00259	40.2
119.03371	3.9
123.04413	4.8
125.02335	6.0
127.00359	2.2
127.03931	3.2
135.02859	3.6
151.11113	3.4
151.51823	1.8
161.09604	4.4
165.12714	1.9
169.04947	3.2
169.12268	6.9
171.10204	29.7
175.02402	67.1
179.10664	6.0
191.10638	2.6
195.13890	3.8
197.11774	84.6
198.12015	4.9
211.13399	4.1
221.06691	2.1
221.11723	4.0
223.13354	3.9
235.08142	3.4
235.13400	3.4
239.12749	9.3
241.10811	4.1
241.14375	8.0
245.11780	2.7
253.09254	6.8
253.14528	2.9
263.74222	1.9
267.12338	4.2
277.21732	99.7
278.22055	7.9
285.13477	11.7
397.13828	2.7
469.14410	2.2
499.21182	2.4
503.21335	6.3
521.22424	4.4
616.72528	2.0
737.41229	3.4
777.40704	4.2
779.41632	7.6
781.29565	2.8
781.43799	59.1
782.43915	9.2
821.42993	11.2
822.44238	2.3
839.44116	4.8
888.36371	2.3
899.46387	100.0
900.47003	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	901.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	3.0
69.83090	10.1
71.01256	22.0
72.99178	3.4
73.02821	2.1
75.00745	5.1
79.95555	1.9
80.96384	8.1
82.90736	1.8
83.01230	2.7
85.02827	4.9
87.00767	11.0
87.82764	1.8
89.02309	6.7
97.02790	3.4
98.19823	2.0
101.02319	9.6
109.06474	2.1
113.02311	5.2
114.99572	1.5
115.00259	10.9
119.03397	1.7
125.02281	2.5
127.03896	2.1
158.64291	1.9
160.00400	1.5
161.09639	3.1
171.10175	6.8
175.02386	21.8
179.10727	3.5
197.11780	35.8
211.13374	3.5
223.09799	2.1
239.12749	2.1
253.09294	3.3
267.12408	2.2
277.21652	3.5
279.23322	45.7
280.23718	4.3
285.13443	2.1
295.93799	1.9
346.70245	1.8
397.13412	6.3
783.45581	7.9
784.46136	2.0
901.47937	100.0
902.48138	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	3.1
69.51439	9.9
69.51862	6.1
71.01255	84.2
72.99179	4.1
73.02819	22.1
73.75476	1.9
81.03338	2.6
83.01273	8.8
83.04889	3.2
84.02068	2.2
85.02828	38.1
87.00752	6.7
89.02312	25.8
90.03275	1.7
93.03329	8.2
95.01263	6.0
96.95910	4.4
97.02831	5.0
98.20547	3.5
99.00768	9.1
101.02325	52.2
102.02692	2.2
109.02885	1.9
111.00806	2.4
111.04359	3.4
113.02333	27.4
119.03410	8.4
121.02823	4.5
123.00826	2.1
123.04375	3.8
125.02316	11.5
129.01828	2.6
135.04404	3.6
137.02299	3.9
140.34793	1.9
141.01831	2.2
143.03409	4.8
149.02342	2.6
149.05905	2.6
152.04735	2.2
153.05377	2.7
159.02927	2.9
159.08815	1.7
161.02374	2.5
161.04480	20.6
179.03340	2.6
179.05556	5.3
191.05521	6.1
193.05037	2.0
197.24130	1.6
200.29692	1.9
221.06615	3.5
243.49217	1.9
263.07773	5.0
323.09888	9.4
356.27237	2.5
402.80234	1.9
515.30188	11.5
523.94360	2.0
615.71564	2.2
677.35254	25.5
678.35645	5.9
839.40717	100.0
840.41254	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01791	0.9
69.03342	5.1
71.01258	20.5
71.04890	2.1
71.58570	1.5
72.99186	2.9
73.02818	2.7
75.00748	4.9
80.96390	1.9
81.03305	1.2
83.01254	2.9
85.02819	6.1
87.00760	11.2
89.02311	9.1
95.01285	2.3
97.02807	3.4
99.00748	1.6
101.02325	10.5
109.02853	1.8
113.02320	5.2
115.00269	15.1
119.03402	1.0
125.02349	2.7
125.09614	2.2
127.03827	1.3
143.03384	1.7
151.11182	2.5
153.12729	1.5
161.04472	1.5
161.09636	2.5
169.12276	1.6
171.10234	6.4
175.00966	1.8
175.02403	26.0
179.05530	1.2
179.10657	5.2
192.41147	1.0
197.11771	60.6
198.12106	2.7
209.11874	1.5
211.13211	1.8
221.06532	2.6
223.09677	1.4
223.13394	1.5
225.00769	1.0
241.10788	3.8
242.15041	1.0
253.09138	1.2
277.18594	1.3
277.21689	27.3
278.21988	2.1
285.13318	1.8
295.22656	2.1
339.26392	0.9
340.01862	1.0
355.44174	1.0
397.13583	3.2
513.27032	1.1
580.28680	1.4
581.28662	1.3
712.03784	1.0
781.43207	5.0
881.44720	1.1
899.46497	100.0
900.46722	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	897.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23679	2.8
68.75622	3.2
71.01258	47.3
72.64883	2.8
77.58262	2.8
78.95798	3.7
80.96347	3.8
87.00770	6.9
89.02321	11.2
97.02843	5.3
97.06464	3.9
101.02329	13.3
109.06438	3.6
113.02332	4.7
116.33444	3.3
119.03483	3.6
123.04411	3.3
125.09583	5.6
127.11198	3.0
161.04410	3.7
163.11208	9.5
165.12662	5.9
171.10176	28.3
175.02443	7.9
181.12257	5.9
185.11707	4.5
191.14304	5.1
197.11751	6.3
207.10292	9.2
209.11771	12.6
211.13329	9.2
221.11865	5.7
225.11221	5.6
235.08211	5.7
245.19043	6.3
253.09306	21.0
255.23265	25.9
280.23785	3.9
289.18039	41.8
291.19681	12.1
293.21161	11.9
295.51044	3.6
307.19116	36.3
309.20770	25.1
311.22272	100.0
312.22598	6.7
397.13586	18.9
415.14893	5.7
571.45392	3.4
606.12439	4.0
704.92310	3.6
897.48657	5.1
933.52179	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	897.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59956	2.2
66.04293	2.0
71.01254	100.0
73.02824	4.4
75.00747	8.1
76.05183	2.2
78.95782	3.1
80.96371	3.5
83.01250	3.3
85.02810	6.9
87.00758	9.1
89.02333	18.5
89.02802	3.5
93.90253	2.6
95.01273	2.6
97.02831	3.9
98.20576	4.1
99.00737	3.0
101.02316	16.6
104.46081	2.3
109.06466	7.0
111.08019	2.7
113.02322	9.2
113.57833	2.4
119.03403	3.0
125.02322	9.5
125.09612	2.9
139.13495	2.3
143.03380	3.3
161.04425	3.4
171.10194	46.1
179.05540	2.7
181.12253	3.4
197.11769	11.8
199.09700	7.8
201.11295	8.7
202.79358	2.4
207.10184	11.6
209.11818	6.4
211.13290	4.5
218.93141	2.4
225.11263	9.5
235.08058	6.3
252.25520	2.3
253.09206	7.5
255.23262	61.7
279.22961	2.7
291.19556	22.6
307.19244	5.9
309.20773	40.6
310.21045	4.8
311.22272	5.0
331.98264	2.5
360.23523	2.4
379.12610	3.1
382.80316	2.2
397.13483	32.5
398.13922	3.9
415.14651	7.1
532.25726	2.5
897.49896	12.6
898.49371	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	897.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00434	2.5
70.01579	13.6
71.01255	100.0
72.99193	4.4
75.62808	2.8
85.02835	5.7
87.00722	3.8
88.78703	2.7
89.02341	17.5
95.01245	2.9
97.02843	6.2
99.00765	3.5
101.02329	22.4
109.06503	8.9
113.02338	9.0
119.03407	7.0
125.02328	6.9
127.11144	3.4
141.01598	16.3
143.03369	5.2
163.11198	5.5
171.10194	48.7
179.05592	5.8
199.09695	12.1
201.11298	17.8
207.10257	24.6
209.11752	5.4
225.11314	14.9
235.08180	5.3
253.09319	3.7
255.23253	89.5
256.23633	7.5
283.96140	3.0
311.22427	3.8
327.58862	3.1
379.12436	5.7
389.04498	3.4
397.13519	41.2
398.13815	4.5
415.14481	14.1
861.48407	11.4
862.49390	5.0
897.50006	13.9
898.50793	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	895.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41443	0.7
71.59145	1.3
73.80566	0.9
78.95766	5.7
82.88258	0.8
84.28822	0.8
92.23343	0.9
103.85786	0.8
110.98421	5.3
167.01115	1.7
185.02155	2.8
279.23294	100.0
280.23648	5.3
284.93918	0.9
314.72070	0.9
318.61374	0.9
447.25168	39.3
448.25388	2.7
656.76331	1.0
728.37189	1.0
895.47620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.507
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99667	1.3
69.03335	1.5
70.06152	3.9
70.06566	2.1
71.01257	100.0
72.99179	3.6
73.02823	3.8
75.00759	3.5
79.80537	1.2
81.03341	2.2
83.01257	2.2
85.02827	5.3
87.00743	5.8
87.52843	1.5
89.02318	14.1
95.01272	1.7
97.02821	4.4
98.19878	1.3
99.00787	1.6
101.02334	16.3
109.06464	3.7
113.02316	10.1
119.03368	4.1
125.02348	6.4
125.09622	1.7
127.11167	2.1
141.01814	1.6
143.03363	3.7
161.04411	3.6
163.11186	2.4
171.10172	54.3
179.05501	3.5
181.08646	1.4
181.12215	1.8
199.09766	9.0
201.11293	9.4
206.47884	1.2
207.10245	15.9
215.12794	1.5
225.11293	8.3
235.08229	3.9
243.12180	1.5
253.09332	1.8
255.23276	67.5
256.23627	5.2
260.29254	1.3
279.23447	2.1
287.07678	1.5
305.08783	2.8
309.20789	1.1
379.12415	5.5
397.13528	33.6
398.13797	2.4
415.14523	8.2
449.70642	1.3
665.29016	1.6
783.18311	1.6
835.48462	1.6
861.48474	5.6
862.49017	1.7
897.50354	8.1
898.50452	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	3.2
71.01254	100.0
71.58712	3.6
71.59063	3.5
72.99194	3.9
73.02835	3.7
78.14758	3.1
80.12339	3.0
83.01221	3.7
85.02844	9.5
87.00760	5.3
88.98721	7.1
89.02322	20.9
97.02830	8.6
101.02332	17.0
109.06476	15.4
113.02355	7.0
119.03414	5.7
125.02342	7.0
140.13545	3.6
141.01689	6.1
143.03398	5.3
161.04340	4.5
163.11220	9.7
171.10223	10.0
179.05490	4.8
181.12291	5.9
183.13806	10.9
201.11206	4.8
207.10213	38.4
209.11778	10.7
211.13333	82.2
217.83299	3.6
225.11301	29.8
227.12828	11.2
235.08191	5.3
397.13437	30.7
401.23114	7.1
408.00949	3.4
415.14511	8.3
419.24136	6.6
534.74109	3.8
605.24078	4.8
623.25995	4.5
799.37640	9.7
817.38232	20.4
818.39453	6.0
926.31299	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	893.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70963	2.2
71.01268	5.8
81.03349	2.0
83.01240	4.0
84.03363	2.0
85.02858	2.2
87.00763	4.0
89.02332	7.0
89.44505	1.9
95.04934	2.6
97.02863	3.4
97.06462	6.4
99.82124	2.0
101.02377	4.5
102.38512	1.9
103.30492	2.0
108.02113	2.1
109.06378	2.0
109.51604	1.9
116.92755	3.1
117.39220	2.4
121.06496	2.3
123.04412	3.7
123.08080	2.3
125.09616	8.2
137.09639	3.6
149.05992	3.2
161.04462	3.1
163.11205	8.4
171.10172	4.8
185.11784	13.1
191.14337	12.1
207.10199	5.7
209.11815	20.8
211.13470	2.4
225.11316	3.5
229.78052	3.3
235.08157	3.0
237.11234	3.2
245.19151	20.7
247.57904	2.6
253.09297	12.7
255.23251	6.0
263.20154	4.4
289.18115	100.0
290.18320	5.1
307.19171	91.7
308.19513	6.5
445.21033	2.6
820.08130	2.4
893.48132	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	893.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	1.0
88.98670	6.5
93.03302	1.6
96.95901	1.0
98.19822	1.8
117.02554	1.4
117.03354	20.0
119.04921	100.0
120.05273	3.0
121.02843	3.3
123.04417	1.5
133.06456	0.8
145.02864	53.0
146.03568	3.7
151.03920	1.5
161.02309	1.0
162.03130	3.6
163.03920	48.5
164.04576	2.1
166.02658	2.3
167.02924	0.9
171.10242	1.3
177.05563	1.2
179.03549	1.5
179.07037	0.9
181.04889	1.8
193.05000	0.9
209.11774	1.0
211.43211	0.9
341.23126	1.5
500.77124	1.0
550.18427	1.3
551.19226	4.6
567.18695	3.1
607.56470	1.1
683.22046	1.4
713.22522	3.5
721.62958	1.0
747.26099	1.9
828.98822	0.9
893.30188	10.4
894.31586	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	893.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96103	0.8
69.03313	0.7
69.46452	1.4
69.46866	4.8
71.01263	5.7
78.98476	3.3
79.28851	0.8
79.95607	6.2
80.96390	36.3
85.02827	1.3
87.00758	2.1
94.97963	9.7
96.95895	1.1
101.02306	1.7
106.97969	1.4
119.04955	0.9
122.97497	3.7
125.02339	2.5
127.03913	0.9
134.97493	2.9
136.98991	0.9
148.99033	3.2
152.98491	4.5
164.98550	8.0
182.99640	1.6
206.99626	2.1
225.00716	14.2
239.56924	0.7
243.01762	1.1
277.21713	1.5
299.04446	6.1
343.81219	0.6
432.21393	0.8
577.26855	100.0
578.27191	13.6
599.24194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.0
71.01261	14.7
71.21606	1.3
72.99189	0.9
73.02820	2.5
73.04572	0.7
80.96399	1.5
83.01248	1.0
85.02837	3.4
87.00735	4.2
89.02322	12.4
89.47405	0.7
91.50714	0.7
97.02823	2.9
99.00791	1.5
101.02319	12.1
108.04577	0.8
113.02339	7.4
119.03425	3.5
124.24914	0.7
125.01505	1.3
125.02344	7.4
125.09617	1.1
127.11166	2.1
131.03404	1.1
137.99962	0.8
139.03941	0.9
143.03397	2.1
161.04482	4.5
171.10188	100.0
172.10522	2.9
179.05547	3.9
188.07712	0.8
199.06323	0.7
217.07126	1.1
221.06508	0.9
232.24852	0.8
235.08186	5.7
259.08243	0.9
279.23291	67.9
280.23624	2.9
287.07776	2.2
305.08920	2.2
335.01935	0.7
379.12479	14.7
380.13013	1.1
397.13507	37.4
398.13977	1.9
415.14435	7.4
551.23370	2.2
569.24359	3.2
677.37115	1.8
807.97369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87819	1.2
69.89407	5.8
71.01255	19.1
72.99197	1.5
73.02818	4.1
75.00776	1.0
76.93346	1.1
81.03331	1.1
83.01263	1.7
85.02835	3.6
87.00735	5.5
89.02332	13.7
95.01209	1.2
97.02828	3.9
98.08541	1.2
101.02334	15.4
109.02856	0.9
113.02338	9.5
119.03379	3.5
125.02348	8.6
130.46721	0.9
131.03380	1.1
143.03436	3.5
161.04448	3.9
171.10187	100.0
172.10513	4.0
179.05486	4.4
209.11803	3.6
212.76810	1.1
217.07060	1.5
227.12665	1.4
235.08243	6.3
245.06773	1.4
250.52585	1.3
259.08182	1.1
277.21732	74.3
278.21957	5.1
279.23270	2.6
280.23627	1.6
287.07663	2.9
305.08887	2.5
323.09747	1.5
379.12433	17.7
395.25116	1.1
397.13507	48.6
398.13879	4.1
415.14368	9.0
551.23566	2.6
569.24634	2.1
675.35602	2.3
889.48975	1.3
912.96997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73766	1.6
71.01246	14.9
72.99170	1.8
73.02847	1.6
74.32948	1.5
83.01266	2.5
85.02828	4.3
87.00749	5.0
89.02316	13.6
97.02841	1.6
98.94225	1.7
99.00770	1.9
101.02333	14.1
113.02344	6.2
119.03402	3.7
120.01292	1.4
121.02858	2.4
125.02323	6.0
127.11207	1.6
143.03409	3.5
161.04448	4.4
163.34653	1.7
171.10179	100.0
172.10553	2.9
179.05568	2.1
221.06787	1.8
229.61322	1.7
235.08195	5.4
279.23282	73.7
280.23535	5.4
287.07684	3.2
287.45731	1.4
305.08655	1.7
323.09744	2.1
366.87534	1.5
379.12473	11.2
397.13495	41.4
398.13748	2.5
415.14600	6.7
462.99039	1.7
522.82086	1.6
551.22595	1.7
569.24231	2.8
611.94916	1.7
864.33075	1.6
891.50934	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	887.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	26.4
70.61960	4.8
70.62347	5.1
71.01256	27.6
72.99149	3.5
80.96407	4.0
83.01268	2.9
85.02840	5.4
87.00753	6.1
89.02311	18.3
99.00764	4.5
101.02345	14.2
113.02338	9.0
119.03316	4.0
125.02319	4.1
140.48517	2.8
156.06487	2.4
165.12759	7.0
179.05499	3.8
183.13838	73.0
204.09177	2.5
207.10223	2.7
209.11769	11.4
218.84038	3.0
221.06743	3.9
227.12869	6.7
277.21606	3.7
279.23285	55.0
280.23505	3.3
342.22949	2.7
397.13474	19.2
415.14539	5.7
431.86526	2.9
607.26117	4.1
625.27545	4.6
887.50122	100.0
888.50458	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	889.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	0.9
70.82158	3.1
71.01262	16.1
72.99184	2.0
73.02827	1.5
78.27144	0.9
81.03339	1.6
83.01270	2.6
85.02796	4.6
87.00770	4.8
89.02318	11.8
95.01286	1.2
97.02823	2.5
99.00787	1.3
101.02325	14.5
113.02332	7.9
116.92754	3.9
119.03405	2.9
125.02345	7.2
125.09664	1.7
127.11172	1.9
143.03409	3.5
161.04422	4.4
171.10185	100.0
172.10558	2.8
179.05557	4.5
185.11769	2.8
199.06160	1.2
209.11781	4.1
210.12210	1.4
211.13199	1.0
213.11261	1.2
217.07080	1.1
221.06555	1.1
227.12825	1.6
235.08258	6.4
253.09438	1.2
260.02908	0.9
277.21725	49.9
278.22055	3.3
279.23325	3.2
287.07800	2.3
305.09161	1.1
323.09631	1.2
379.12479	13.9
397.13528	39.0
398.13788	2.1
415.14526	7.8
551.23438	1.9
569.24310	2.3
675.36139	1.6
889.47845	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	885.4864
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98705	3.3
64.11021	1.9
71.01250	27.4
71.58936	4.0
72.99182	2.9
73.02814	4.4
83.01257	3.6
85.02814	3.6
87.00739	5.7
89.02315	19.1
95.01242	3.6
97.02833	4.4
101.02335	22.8
109.06470	4.4
113.02345	11.4
116.57694	2.1
119.03371	4.5
125.02325	7.5
139.04022	2.1
143.03386	3.5
146.11090	2.5
161.04492	2.4
163.11151	3.5
165.12808	5.3
179.05536	4.6
183.13832	77.5
184.14098	4.2
199.13202	2.3
203.64421	2.1
207.10204	9.2
208.10652	2.3
209.11606	9.8
221.06613	3.5
225.11261	10.2
227.12871	10.5
235.08212	2.9
277.21744	39.7
278.22073	2.8
279.23251	16.0
379.12640	2.6
397.13513	25.1
415.14410	8.4
607.25775	3.0
623.26099	2.8
625.27356	5.1
885.48499	100.0
886.49091	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	0.9
69.07066	0.5
70.10081	1.7
71.01256	17.7
72.99171	1.6
73.02828	3.0
80.02552	0.9
80.96374	0.8
81.03332	1.8
83.01259	1.8
83.04895	4.5
84.02050	0.4
85.02826	4.0
87.00765	4.1
89.02322	12.7
95.01263	1.5
95.04907	0.9
97.02827	3.0
99.00756	1.1
101.02326	13.0
109.02771	0.6
109.06461	1.2
111.04440	0.5
113.02338	7.1
119.03388	4.2
125.02348	7.3
125.05920	0.6
125.41813	0.4
131.03378	0.6
135.08107	0.6
141.01750	0.5
143.03419	2.5
161.04497	3.3
163.11174	3.8
165.12775	2.2
179.05577	4.1
181.12259	0.9
191.10568	0.6
199.13333	0.7
207.10185	3.1
208.10503	0.6
209.11777	100.0
210.12111	4.5
217.07260	0.8
221.06625	1.4
225.11333	2.4
227.12857	13.0
228.13208	0.8
229.41525	0.4
235.08191	5.5
245.06596	0.6
251.12914	0.5
253.09193	1.2
259.08322	0.6
263.07635	0.7
277.21732	51.6
278.22043	4.2
279.23206	2.3
287.07700	1.8
305.08740	2.2
311.22269	0.5
323.09866	1.2
379.12476	5.1
397.13501	40.9
398.13858	1.8
400.66458	0.4
415.09100	0.5
415.14517	10.1
416.14740	0.8
607.25977	0.5
777.43469	0.4
885.48083	2.9
886.48340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55124	0.3
69.03316	0.8
70.03803	1.6
71.01257	15.3
72.99189	1.2
73.02822	1.8
74.89471	0.3
75.00765	0.6
78.95757	0.3
80.02563	1.1
80.96384	0.6
81.03342	1.9
83.01260	1.6
83.04906	5.0
84.02048	0.7
85.02827	3.9
87.00751	4.0
89.02323	11.9
95.01254	1.1
95.04926	1.1
97.02847	2.3
99.00779	0.9
99.04401	0.4
101.02328	10.5
109.02823	0.4
109.06484	1.0
109.25911	0.3
111.00719	0.4
111.04396	0.5
113.02344	7.0
119.03384	3.3
125.02361	5.2
125.05994	0.8
131.03400	0.6
133.05035	0.4
135.08047	1.0
139.03943	0.4
141.01816	0.4
143.03438	2.9
149.04486	0.4
161.04495	3.3
163.11200	3.7
165.12756	1.8
179.05521	3.6
181.12299	0.8
191.10675	1.1
199.13316	0.4
207.10245	2.1
209.11778	100.0
210.12114	4.9
217.07060	0.6
221.06642	1.3
225.11319	1.1
227.12845	11.1
228.13177	0.5
235.08179	4.4
251.12895	1.1
253.09384	0.8
263.07733	0.4
277.21725	40.2
278.22006	3.0
279.23422	1.7
287.07693	1.7
305.08777	1.5
306.07568	0.4
323.09836	1.2
333.87036	0.3
379.12466	6.5
397.13519	30.4
398.13986	2.0
407.82455	0.3
415.14560	7.5
416.15103	0.6
580.18445	0.4
607.26050	1.0
747.18103	0.3
834.24756	0.3
852.32690	0.3
885.47845	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	883.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38161	7.6
70.02858	1.9
71.01262	3.4
74.02345	16.4
76.18504	0.9
85.02825	1.0
89.02319	1.9
98.02348	3.7
98.20497	1.9
101.02348	2.0
109.74590	0.7
113.02336	1.6
116.03416	4.2
116.04948	6.1
117.03326	8.0
118.05080	0.9
131.01318	1.3
131.03374	0.9
142.06496	1.5
156.50560	0.7
159.09184	1.6
161.02351	1.2
161.04539	0.8
163.03918	1.5
173.02313	4.5
175.00253	7.0
193.41708	0.8
198.68352	0.8
201.10353	1.9
203.08208	17.5
245.09290	37.8
246.09683	1.7
249.05571	1.1
265.05096	0.8
269.04654	1.3
281.04489	1.2
282.05197	1.0
283.06018	2.8
293.04559	100.0
294.04947	5.5
311.05524	6.8
322.85892	0.8
323.05508	1.5
341.06259	0.8
413.08774	38.8
414.09058	3.5
473.10806	1.9
593.15112	75.6
594.15405	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	883.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98678	1.7
69.03337	2.1
71.01251	19.9
71.04903	2.3
73.02807	2.7
75.00732	2.0
80.96370	3.0
83.01250	3.7
85.02825	5.9
87.00760	11.0
89.02321	10.5
92.26486	1.6
95.04926	1.6
96.95872	1.7
97.02838	15.0
97.06433	2.3
98.20557	4.8
99.00758	26.1
99.16238	1.5
101.02345	10.7
109.06484	4.3
113.02298	6.7
115.00255	2.2
123.08032	2.1
125.02347	13.4
125.09611	7.2
135.08055	2.0
136.05186	3.4
141.01636	4.6
142.02612	2.7
161.04393	2.2
163.11200	13.1
174.01501	1.9
181.12273	21.6
182.40015	1.9
199.13327	3.1
201.11362	2.4
207.10210	71.1
207.12180	3.7
209.11877	2.0
211.13312	3.5
221.06467	1.9
225.11281	100.0
226.11559	3.8
235.08174	3.9
243.12358	37.7
253.09280	1.8
277.21722	58.0
278.22003	3.0
317.16077	4.8
397.13593	12.4
415.14526	1.9
424.15894	2.4
592.30188	2.0
605.24481	26.7
606.24615	2.0
623.25610	30.5
883.46997	75.2
884.46680	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	881.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86999	1.3
69.87395	2.1
71.01247	11.1
72.99197	1.7
73.02817	3.5
82.41035	0.7
83.01260	1.3
85.02827	3.1
87.00726	0.8
89.02315	4.3
93.03329	3.5
96.95882	1.7
98.19836	0.9
99.00761	7.7
101.02332	4.3
108.02048	2.6
109.02831	1.4
113.02327	3.8
118.12035	0.8
119.04919	76.6
120.05260	2.7
121.02858	4.6
125.02328	2.4
134.03586	1.4
135.04359	1.1
137.02330	1.7
143.03473	0.7
149.02342	1.9
150.03110	3.3
151.03931	1.4
157.46458	0.7
161.04457	1.6
161.05901	1.7
162.03125	2.2
164.04816	0.9
165.05515	1.1
175.03891	1.2
176.08348	7.2
177.01912	0.8
179.07027	4.8
189.05447	1.3
191.05515	1.7
191.07091	1.0
196.03773	0.9
203.07053	3.0
204.07863	23.5
205.08638	10.7
206.09250	1.1
208.07391	1.9
215.07156	1.0
216.07896	1.9
217.08643	20.5
218.09225	3.1
219.10220	100.0
220.10535	6.3
231.10295	1.3
233.11714	1.3
245.11784	2.8
261.11063	1.1
267.64297	0.8
275.12723	0.8
307.13416	1.3
323.12888	11.1
324.13586	2.6
324.70279	0.8
338.15262	6.5
339.15955	14.7
340.16479	1.1
395.13345	0.9
413.14542	9.4
414.15067	1.4
455.15771	1.1
481.17010	1.1
483.20026	1.0
501.21054	2.2
513.19769	9.4
514.20288	1.4
543.22571	1.6
555.20691	2.3
615.24536	24.7
615.34631	1.4
616.24597	2.6
633.25519	65.1
634.26154	9.4
675.26556	12.6
676.27307	1.8
777.29370	4.7
778.29773	0.8
795.31000	2.3
836.81659	0.9
837.31720	1.3
869.96631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.2
71.01256	27.5
71.38248	2.2
71.38602	1.8
72.13396	2.0
72.99225	3.1
73.02823	4.9
83.01247	2.0
85.02826	5.3
86.93759	1.8
87.00742	5.1
89.02320	18.3
95.01257	2.2
97.02836	7.5
97.03507	1.6
97.06512	2.0
99.00766	16.8
99.97086	1.9
101.02328	18.4
109.06470	3.1
113.02316	10.8
116.92730	4.6
119.03371	5.0
125.02319	5.5
125.09621	6.1
140.83778	1.9
143.03406	3.6
161.04451	3.0
163.11217	10.5
171.10194	17.9
178.20956	1.9
179.05539	3.8
179.10820	1.8
181.12273	16.8
197.11768	2.7
198.37245	2.0
199.13400	10.5
201.11301	6.1
207.10219	33.6
221.06592	2.3
225.11279	49.7
235.08234	4.4
243.12407	13.8
255.23277	84.3
255.25964	4.1
256.23636	6.0
291.19522	4.3
309.06342	1.9
309.20633	2.2
334.99130	1.9
379.12302	5.4
397.13416	21.2
415.14661	3.6
605.24292	2.3
623.25250	3.7
665.07678	1.9
793.52722	2.1
807.43506	2.4
861.48956	16.0
879.49597	100.0
880.49774	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	877.48
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48906	1.6
66.45003	2.0
66.92144	1.8
69.03334	4.3
69.28352	1.8
69.36835	20.3
71.01250	13.9
73.02838	2.4
85.02806	3.8
87.00763	3.5
87.95286	1.8
89.02331	9.9
97.02847	1.9
98.67444	1.6
101.02313	10.0
113.02316	4.2
116.92767	14.9
117.92860	1.9
119.03418	2.5
125.02367	2.8
125.09593	2.5
144.24748	1.9
151.11226	2.5
171.10135	3.0
173.60005	2.0
179.10747	4.4
197.11757	61.7
198.12096	3.3
205.08838	2.2
221.06528	3.9
223.09782	3.8
229.76208	1.9
241.10704	2.6
255.23274	38.2
256.23679	2.9
279.23376	2.7
397.13425	4.8
488.29294	2.5
539.83185	2.4
877.47986	100.0
878.48169	20.9
901.13861	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	877.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11504	4.5
71.01254	1.8
77.61187	1.2
78.75111	1.1
88.98689	4.7
89.02365	1.7
93.03358	1.8
95.29579	1.4
96.95875	1.7
115.88839	1.3
117.03349	24.0
119.04919	100.0
120.05242	3.2
121.02835	4.9
123.04414	2.5
135.04413	1.4
143.04970	2.9
145.02861	56.8
145.06477	1.7
146.03654	13.7
147.04381	2.2
149.02402	1.4
161.06017	5.4
162.03119	4.9
163.03917	48.0
164.04764	8.7
165.05489	2.5
175.03922	2.3
177.05534	1.5
179.07097	8.3
182.83267	1.2
197.02293	1.2
209.11726	2.1
219.02927	4.8
234.05276	4.6
249.07646	2.4
355.12039	1.8
401.80075	1.7
444.53796	1.7
535.19971	4.3
650.91473	1.5
697.22809	9.2
731.27295	4.5
877.30780	23.1
878.31525	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	877.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	5.9
70.12124	2.7
71.01255	14.1
71.04889	1.3
72.99177	1.7
73.02812	1.9
83.01264	1.3
85.02829	3.0
87.00753	3.2
89.02313	9.7
95.01271	0.8
95.04939	0.6
97.02802	2.6
97.06478	0.8
99.00756	1.5
99.92468	0.8
101.02328	9.0
104.51653	0.6
110.97742	0.7
113.02317	3.7
116.92734	5.7
119.03403	2.4
120.82368	0.6
123.04523	0.6
123.08063	1.5
125.02306	1.7
125.09628	1.0
143.03365	0.7
151.11168	2.0
153.12727	1.3
161.04509	1.5
161.09641	3.7
171.10150	0.7
175.02409	0.9
179.05536	0.8
179.10695	4.9
197.11771	32.8
198.12105	1.4
209.11745	1.7
221.06596	1.2
223.09628	1.0
225.03085	0.7
235.08113	1.1
241.10835	1.6
255.23271	45.0
256.23508	2.4
263.07639	0.8
269.24960	0.8
397.13388	3.2
616.85760	0.8
877.48022	100.0
878.48383	15.8
914.09375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98974	1.5
71.01254	39.7
72.99165	1.8
73.02444	0.9
73.02824	13.0
75.00734	1.2
77.63060	0.5
83.01260	5.4
85.02822	19.0
87.00761	1.8
89.02318	9.4
95.01268	3.3
97.02834	2.2
99.00755	9.1
100.20444	0.8
101.02322	25.7
113.02339	15.9
119.03380	1.3
125.02312	1.9
129.01808	0.6
132.92805	0.5
138.06784	4.6
143.03412	1.3
149.04431	1.7
153.09128	15.2
159.02904	3.0
161.04471	13.7
191.05482	1.5
207.13840	1.6
224.65002	0.6
225.14897	18.1
226.15367	0.7
251.09166	0.7
269.10306	26.8
270.10764	1.9
311.11346	22.6
312.11801	1.7
355.10519	1.3
387.20294	6.7
519.24463	100.0
520.24854	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	871.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34255	5.1
71.01260	0.9
71.04906	0.5
73.02812	0.5
77.42461	0.5
77.91241	0.5
80.02543	0.8
83.04891	1.0
85.02809	0.9
87.04378	0.6
96.95905	1.4
97.06452	1.3
98.20183	2.3
109.91478	0.5
110.03675	0.6
111.08049	9.2
116.92728	0.6
121.02825	1.3
123.08048	1.7
125.09624	15.8
126.09939	0.9
127.11179	6.4
135.08057	1.1
137.02356	0.8
137.09624	5.1
139.11159	1.2
141.09111	1.9
149.09657	1.0
151.11179	3.4
153.09151	2.6
155.10722	3.2
157.12273	0.6
164.08400	1.4
165.09132	1.9
169.12364	0.7
169.52544	0.5
171.10190	8.4
177.09138	0.7
183.10164	1.1
195.10269	2.4
199.09679	2.2
199.13341	0.7
201.11264	44.2
202.11591	2.0
209.11713	0.7
213.11264	32.1
227.12747	0.7
244.61429	0.5
245.19173	1.6
250.12175	0.6
253.09247	0.8
255.16113	0.6
281.21115	0.6
289.18146	11.7
290.18512	0.7
307.19135	24.7
308.19409	1.2
309.20602	0.6
325.20197	100.0
326.20496	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	871.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49123	0.3
69.03336	0.9
69.24808	4.2
70.19920	0.3
71.01259	1.5
71.04852	0.3
83.04874	0.4
85.02827	0.6
87.04365	0.6
95.04853	0.5
96.95896	4.2
97.02834	0.5
97.06483	0.9
98.03645	0.6
98.96113	0.4
109.02840	0.9
113.09612	10.2
114.09965	0.5
121.02839	0.5
123.04382	0.6
123.08015	1.0
125.02334	1.9
125.05951	0.4
125.09618	6.6
127.11176	6.7
133.02861	0.6
137.02322	0.9
137.09605	1.8
139.11221	0.7
141.09109	2.2
149.02341	0.5
151.03902	0.5
151.07596	0.5
151.11186	1.7
153.09149	0.7
155.10696	2.6
161.02354	1.8
161.05975	0.4
163.03897	0.5
165.09122	1.9
167.10626	0.6
169.12163	0.5
171.10188	5.3
177.09062	0.5
183.10190	1.1
195.10226	2.2
199.09702	1.8
201.11259	48.8
202.11584	1.8
203.07079	0.6
213.11269	28.3
214.11571	1.1
227.12805	0.7
247.20613	0.7
253.09135	0.4
289.07346	1.9
291.19681	5.2
307.19217	0.4
309.20721	7.7
310.20990	0.4
317.21094	0.7
318.03476	0.4
327.21762	100.0
328.22119	6.8
333.24341	0.7
419.24231	3.0
420.24698	0.5
581.27612	1.5
701.29535	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	869.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12183	0.8
64.42954	0.8
65.72948	0.7
69.03307	1.6
71.01257	19.2
72.99185	1.0
73.02826	3.7
74.15235	0.8
78.95802	1.6
80.96380	0.7
82.14558	0.8
83.01258	2.2
83.04919	1.2
85.02839	4.2
87.00764	4.6
89.02324	16.1
89.26491	0.8
95.01286	1.6
97.02840	3.1
99.00745	1.4
101.02328	13.2
110.98457	1.6
111.00733	0.8
113.02325	9.3
119.03378	3.4
125.02367	7.3
137.09729	0.7
143.03348	2.3
161.04471	2.9
167.14241	0.9
179.05545	3.4
183.13795	6.6
185.02101	2.6
193.12302	1.3
193.97159	0.8
211.13348	100.0
212.13689	4.7
217.07082	1.2
221.06650	1.2
235.08189	5.2
253.09087	1.5
255.23372	4.3
277.21722	58.4
278.22052	2.9
279.23257	2.9
287.07813	1.4
287.23416	0.8
305.08804	2.5
323.09726	1.1
379.12396	6.5
397.13480	38.8
398.14072	2.2
415.14548	9.0
416.15405	0.9
423.25208	1.5
447.24582	0.9
591.26624	1.7
609.27747	2.8
842.46661	1.0
867.07141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72624	12.2
71.01256	14.3
73.02831	4.6
80.96378	1.8
83.01245	2.6
84.61900	1.9
85.02792	3.7
87.00730	2.9
89.02323	15.4
96.95891	2.1
97.02837	3.3
97.06458	2.6
101.02363	12.1
108.30453	2.0
113.02324	3.3
119.03440	2.3
125.02326	4.1
128.90276	2.0
151.11180	8.8
161.04480	3.1
169.10818	2.8
169.12262	55.4
179.05576	4.4
197.47690	1.9
209.11765	2.5
211.13281	3.0
213.11270	9.3
221.06522	3.2
244.31671	2.0
253.09219	2.6
277.21732	16.5
279.23248	3.8
291.19989	2.2
299.70779	1.8
309.20422	2.7
343.24866	3.0
362.36667	1.8
383.84213	1.9
397.13406	5.9
509.65344	2.1
593.24585	4.2
611.25031	3.1
656.97034	2.1
871.46936	100.0
872.47461	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	869.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22709	0.4
67.01734	0.4
69.03328	1.6
69.24532	1.6
69.24960	3.2
71.01256	14.7
72.99185	1.4
73.02819	2.8
75.00749	0.5
78.95768	0.5
80.96390	1.0
81.03325	0.9
82.53513	0.5
83.01287	1.9
85.02835	4.3
87.00765	3.5
89.02321	13.7
95.01272	1.3
97.02843	2.3
99.00752	0.8
101.02323	12.2
101.02999	0.6
110.02389	0.4
113.02335	7.2
115.04006	0.4
119.03383	4.8
125.02350	6.6
131.03400	0.8
133.05020	0.4
139.03938	1.0
141.01808	0.6
143.03433	2.9
149.04407	0.7
160.43636	0.4
161.04431	3.7
161.99283	0.4
167.14359	0.7
179.05565	4.8
183.13835	7.1
185.02066	0.5
193.12271	1.7
211.13345	100.0
212.13687	4.1
217.07156	0.7
221.06595	1.3
235.08188	4.8
253.09302	0.7
255.23367	1.8
259.08163	0.9
263.07770	0.6
277.21729	48.9
278.22156	2.4
279.23370	0.7
287.07767	1.7
305.08810	1.4
321.96564	0.4
323.09808	1.2
327.21088	0.4
361.11487	0.4
379.12463	8.0
397.13513	37.2
398.13861	1.8
415.14621	8.8
447.24973	0.6
458.66458	0.4
486.42725	0.5
591.26514	2.7
609.27637	3.4
675.35559	0.7
869.47052	0.6
901.73480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98720	4.0
71.01254	15.4
71.06415	3.8
73.02824	3.6
80.96404	3.5
85.02826	4.1
85.50951	2.1
87.00745	5.4
89.02316	12.9
98.33630	2.2
101.02332	9.0
113.02312	6.0
115.77957	2.1
119.03403	5.2
125.02336	6.3
131.99696	2.0
141.01738	2.3
161.04465	4.5
171.10185	100.0
179.05606	3.6
235.08147	4.8
255.23279	47.3
305.08813	2.7
379.12396	15.8
380.13162	2.5
397.13437	34.3
415.14471	6.3
415.19418	2.6
434.89774	2.3
473.54483	2.4
551.23352	3.7
577.35077	2.6
635.37103	2.9
653.38074	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	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21376	0.6
64.67606	0.6
65.03828	0.7
67.01796	0.6
69.03331	0.9
69.52966	4.8
79.38987	0.6
80.17053	0.6
83.01252	4.1
93.03325	1.2
95.01286	0.7
95.04934	1.0
97.02834	2.3
105.03329	0.8
107.04929	1.4
109.02837	11.1
117.03349	0.8
121.02819	2.5
122.39479	0.7
123.04408	8.0
125.02336	100.0
126.02654	2.7
130.22702	0.7
131.04985	0.7
133.02864	5.8
135.04391	1.6
137.02339	12.6
138.02640	0.9
139.03886	2.3
143.04886	0.9
145.02892	0.9
146.03685	0.7
147.04463	0.9
149.02348	4.1
149.05878	0.8
150.03120	1.0
151.02817	1.1
151.03918	13.4
152.04341	0.8
159.04393	3.6
161.02350	32.6
161.05974	1.9
162.02997	2.5
163.00269	2.9
163.03912	3.9
164.01083	7.2
165.00677	0.6
165.01843	4.5
167.03377	1.1
171.04518	0.7
173.05898	1.5
174.03098	1.3
175.03917	13.8
177.00471	1.1
177.01863	11.0
177.05498	2.5
179.03438	1.8
187.03885	4.4
188.04660	1.2
189.01840	2.4
189.05528	0.9
191.03419	0.9
193.04961	1.2
199.03934	2.7
201.01863	1.0
201.05554	1.8
203.03442	3.2
203.07063	3.1
205.01254	1.0
205.04924	3.6
211.03966	1.3
213.05560	1.0
215.03368	1.3
217.01364	0.7
217.05049	4.6
219.02931	2.6
224.23642	0.7
225.05585	1.5
227.03355	1.1
227.07169	0.9
229.05077	1.6
230.05611	0.7
232.03758	0.7
243.02966	16.7
243.05499	1.0
243.06578	1.1
244.03494	2.2
245.04559	9.4
245.08125	5.4
255.02925	6.6
256.03589	2.1
257.04517	2.4
258.58362	0.7
261.04025	6.3
269.04608	3.9
273.04016	1.5
281.04532	2.5
283.02368	1.8
285.03934	2.6
287.05609	24.7
288.05942	2.2
289.07193	19.7
290.07562	1.8
299.05612	3.7
327.05164	1.2
331.07950	0.8
338.27081	0.7
339.08737	1.6
341.06610	1.5
381.09811	1.2
405.06238	3.4
407.02301	1.0
407.07712	19.1
408.08240	1.5
413.08682	6.3
423.07141	3.5
425.08719	10.0
426.09009	1.3
435.07034	0.9
449.08612	4.7
451.10382	6.4
467.09808	1.2
525.08221	1.1
543.09308	2.9
559.13245	1.1
561.10095	1.7
569.10815	1.8
575.12207	3.3
577.13409	6.4
578.14178	1.1
587.11841	2.5
677.14557	0.8
695.13983	3.6
696.15051	0.9
713.15405	1.8
739.16315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91689	0.9
70.92010	1.4
82.76156	0.6
83.01260	3.7
84.40351	0.7
87.77129	0.6
93.03334	1.1
93.87827	0.6
97.02813	0.8
97.46539	0.6
107.04881	1.7
108.02059	0.9
109.02838	8.7
121.02851	2.5
122.03609	1.1
123.04412	5.5
125.02338	100.0
126.02653	3.3
131.04935	1.2
133.02861	4.1
135.04436	2.1
137.02345	13.2
139.03914	1.3
143.02301	0.7
145.49315	0.7
149.02357	3.4
150.03148	0.8
150.23994	0.7
151.03928	11.2
159.04462	2.2
160.05197	0.7
161.02345	30.4
161.05963	1.4
162.03020	2.3
163.00278	1.8
163.03958	3.1
164.01065	4.9
165.01884	4.8
167.03427	1.4
167.04988	0.6
173.05995	1.7
175.03937	13.4
176.04272	0.8
177.01869	9.1
179.03404	2.6
183.04491	0.8
187.03940	4.3
188.04663	0.7
189.01828	2.2
190.02571	0.7
191.03519	1.2
199.03934	3.5
201.01918	1.1
201.05513	2.3
202.06346	0.7
203.03430	2.4
203.07050	4.5
205.01208	1.2
205.05008	2.8
210.62288	0.7
211.04044	0.8
213.05583	0.7
217.01376	1.0
217.05043	5.6
219.02997	3.1
221.08183	0.7
225.05519	1.2
227.03575	1.0
228.04143	0.8
229.04985	1.7
231.02994	1.3
237.05894	0.7
243.02966	17.8
243.05481	1.0
243.06670	1.3
244.03310	1.0
245.04546	11.6
245.08128	4.5
246.04878	1.1
247.06084	0.8
255.02959	5.1
256.03638	1.5
257.04468	1.7
261.04050	7.0
269.04565	3.6
273.04047	2.3
281.04617	2.3
282.01572	0.8
283.02530	1.6
285.04123	1.5
287.05606	29.9
288.06000	1.0
289.07169	20.4
290.07443	1.1
297.04276	0.8
299.05621	3.7
339.08719	1.5
341.06818	1.3
381.10071	0.9
395.07956	1.4
405.06064	6.0
407.07736	19.6
408.08032	2.3
413.08588	6.6
423.07330	3.6
425.08707	10.6
426.09082	0.9
435.07260	0.9
449.08667	5.8
451.10266	8.1
467.09827	0.8
525.08319	1.9
533.11194	0.9
543.09406	3.6
559.12360	1.2
561.10773	1.4
569.10590	0.8
575.11682	4.1
576.12201	1.1
577.13409	8.2
578.12952	0.9
587.12097	2.1
695.13635	6.6
696.14343	1.1
713.15576	2.5
739.16608	2.0
865.20337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61921	0.5
63.90431	0.6
65.00203	0.6
70.91814	1.4
81.03327	1.2
83.01272	4.5
85.02802	1.2
85.99796	0.5
89.03828	0.7
93.03339	1.4
95.01336	0.6
95.04915	1.0
97.02839	2.0
107.04889	1.6
109.02841	11.3
117.03326	0.7
119.04914	0.7
121.02835	1.8
122.03569	1.4
123.04407	8.3
125.02338	100.0
126.02666	2.5
131.04958	1.1
133.02866	5.5
135.04433	2.1
137.02344	13.7
139.03915	2.0
145.02843	0.9
146.03673	1.0
147.04391	1.0
149.02332	3.5
150.03072	1.0
151.03922	11.3
155.04973	0.6
159.04428	3.1
161.02353	30.5
161.05995	1.5
162.03043	2.1
163.00282	2.4
163.03938	3.7
164.01085	5.6
165.01845	5.1
167.03423	1.1
173.05963	0.9
174.03055	0.8
175.03922	13.3
176.01019	0.6
177.01869	9.9
177.05424	1.4
178.02313	0.9
179.03418	2.1
183.04570	0.6
187.03949	4.1
188.04684	1.3
189.01837	1.7
189.05502	1.3
190.02722	0.7
191.03416	0.9
193.05013	1.2
199.03931	4.4
201.01944	0.6
201.05464	1.6
202.06229	0.7
203.03340	3.3
203.07089	3.8
205.01503	1.1
205.03299	1.1
205.05078	2.7
211.03987	1.2
213.05594	0.7
214.02647	0.6
215.03358	1.0
217.05014	5.7
219.02922	2.9
221.08122	0.7
225.05585	0.7
227.03374	1.4
229.05070	2.4
231.03079	1.0
241.05037	0.6
243.02975	17.0
243.06738	1.4
244.03448	1.3
245.04491	10.9
245.08218	4.6
247.06120	1.0
253.04933	1.0
255.02977	5.2
256.03772	2.7
257.04550	1.2
261.04108	5.9
269.04550	3.0
273.04150	1.1
281.04544	2.4
282.01721	0.7
283.02466	1.9
285.04047	2.5
286.04501	0.9
287.05621	30.4
288.05911	2.1
289.07190	23.3
290.07498	1.6
297.04053	0.7
299.05618	4.1
303.05078	1.2
315.08676	0.9
327.05109	0.8
329.06808	1.8
333.08298	0.7
337.06946	0.9
339.08740	1.6
341.06628	1.6
363.04913	1.2
369.09708	0.8
381.05670	0.8
381.10126	1.0
391.04559	1.0
395.07678	1.2
399.08798	0.7
405.06216	4.8
407.07724	23.2
408.08252	2.3
413.08844	7.2
423.07178	3.8
425.08755	10.4
435.07047	0.7
449.08774	6.0
450.09085	0.8
451.10449	9.0
525.08411	1.6
533.10309	0.7
543.09259	4.3
544.09894	0.8
559.12421	1.2
561.10608	1.8
569.10999	1.8
575.12024	3.7
577.13531	8.7
578.13806	1.6
587.12134	2.3
677.12994	0.8
695.13806	5.2
696.14923	0.7
713.15509	2.2
739.17169	1.7
865.19342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37562	0.6
69.63703	4.0
81.03346	1.6
83.01258	3.6
89.03813	0.8
93.03350	2.4
95.01234	1.1
95.04901	0.8
97.02839	2.8
98.19795	0.8
107.04897	1.4
108.02066	0.9
109.02847	10.7
117.03342	0.8
121.02846	2.3
122.03715	0.7
123.04426	9.1
125.02343	100.0
126.02644	3.3
131.04945	0.9
133.02869	4.7
134.59265	0.6
135.04433	2.2
137.02361	12.9
139.03915	2.0
144.96135	0.7
145.02859	1.0
145.80183	0.8
147.04437	1.4
149.02350	4.0
149.06001	0.8
150.03084	0.8
151.03920	12.4
153.47398	0.6
159.04451	2.3
161.02359	32.7
161.03714	1.6
161.06007	2.3
162.03081	2.4
163.00276	2.6
163.03938	4.4
164.01042	5.7
165.01851	5.8
167.03499	1.8
170.45636	0.7
173.05986	1.3
174.03229	0.7
175.03937	14.3
177.00458	1.2
177.01883	11.5
177.05495	1.1
179.03462	2.3
185.06020	0.8
187.03935	4.8
188.04684	1.5
189.01903	2.7
191.03493	0.9
193.04938	0.9
199.03996	2.4
201.02022	0.9
201.05502	2.1
203.03458	2.9
203.07085	3.4
205.01454	1.6
205.05020	2.7
215.03470	1.1
217.05003	6.5
219.02936	3.0
225.05626	1.2
227.03409	2.2
229.04997	2.3
231.02948	1.0
243.02991	18.0
243.06712	1.3
244.03555	1.4
245.04546	9.5
245.08125	3.8
247.06201	0.7
255.03000	6.7
256.03653	2.7
257.04562	1.2
261.04022	7.4
267.06714	0.7
269.04553	3.1
273.04126	2.7
280.21658	0.8
281.04623	2.0
282.01663	0.7
283.02435	1.5
285.04099	1.9
287.05621	33.1
288.05872	2.0
289.07217	23.4
290.07465	1.4
297.04019	1.0
299.05637	4.6
315.08920	1.3
327.05109	1.2
331.08600	1.0
339.08716	2.7
341.06580	1.5
365.06693	1.2
381.10049	1.1
389.00604	0.7
391.04764	1.3
395.07700	0.9
405.06168	5.0
407.07748	23.4
408.08057	2.7
413.08759	7.1
423.07098	4.9
425.08771	15.0
426.09320	1.9
435.07349	1.0
449.08701	5.8
451.10355	8.9
452.11053	1.0
525.08417	2.8
543.09186	5.1
559.12781	1.4
561.09845	1.7
569.10974	1.5
575.12000	3.5
576.13165	1.2
577.13513	9.3
578.14386	1.2
587.11761	3.4
695.14050	6.2
696.14825	0.7
713.15399	2.1
739.17285	1.1
865.20557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.501
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65670	1.7
69.53062	1.9
71.01254	22.1
73.02812	4.2
81.37297	1.6
83.01247	2.4
84.34867	1.8
85.02824	4.7
87.00770	4.2
89.02328	17.0
95.01244	1.8
97.02824	2.7
101.02319	14.1
105.84543	1.7
107.28993	1.8
113.02320	8.0
114.18468	1.7
119.03428	4.7
125.02326	4.9
143.03471	2.2
165.12772	5.7
179.05550	2.5
183.13838	44.4
184.14182	2.0
199.13229	1.9
207.02037	1.7
209.11751	5.9
217.36450	1.6
221.06715	2.0
227.12831	6.6
235.08238	3.0
255.23267	66.4
256.23709	5.5
260.70517	2.0
379.12393	3.0
381.06741	2.1
397.13431	15.3
415.14429	4.1
625.27002	2.3
863.50024	100.0
864.50421	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	865.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19473	2.6
69.60632	2.6
71.56879	4.0
71.57262	4.0
77.30985	2.6
83.01254	3.6
84.69176	3.1
94.72321	3.0
109.02862	10.2
112.56498	3.0
123.04440	4.3
125.02341	100.0
126.02668	3.4
133.02821	5.2
133.30724	2.9
137.02354	14.3
149.02335	4.8
151.03903	7.8
161.02341	29.6
163.00237	3.2
163.03883	4.5
164.01050	3.9
165.01903	4.7
175.03941	13.4
177.01797	6.0
178.36380	3.2
187.03990	3.3
199.03979	6.4
201.01897	3.4
217.05045	5.7
219.02779	3.6
243.03046	18.9
245.04559	6.3
245.08153	6.3
255.02994	5.5
261.04227	3.5
273.22949	3.5
287.05640	28.9
289.07159	21.6
299.05624	3.7
307.45901	3.9
405.05930	4.6
407.07666	20.0
423.07272	4.3
425.08813	7.7
449.08539	8.2
451.10257	6.9
575.11737	4.1
577.13599	6.1
695.13263	5.0
894.03345	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	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50614	0.3
69.03322	1.0
71.01255	16.8
72.01561	0.3
72.99183	1.7
73.02815	3.1
75.00741	0.7
80.02568	1.4
80.96395	0.4
81.03329	2.2
83.01249	2.6
83.04907	4.7
84.02055	0.8
85.02826	4.6
87.00749	4.7
89.02321	14.2
93.03325	0.5
95.01274	1.2
95.04912	1.1
97.02825	2.8
99.00760	1.2
101.02325	13.4
102.02670	0.3
109.02837	0.5
109.06443	0.5
111.04430	0.6
113.02328	6.6
115.03868	0.4
116.92707	0.8
119.03387	4.1
125.02333	6.6
125.05941	0.4
126.02670	0.5
127.03879	0.6
129.01759	0.4
131.03418	0.7
133.04926	0.5
135.08066	0.5
139.03909	0.7
141.01791	0.4
143.03397	2.9
160.80690	0.3
161.04486	3.2
163.11205	3.7
165.12776	2.5
167.03441	0.6
179.05534	3.6
181.12300	0.6
191.10715	0.7
199.06018	0.6
199.13354	0.6
207.10178	0.7
209.11772	100.0
210.12123	5.6
217.07188	0.6
221.06599	1.2
227.12859	11.7
228.13200	0.6
235.08188	5.6
251.12907	0.4
253.09328	0.6
255.23276	56.1
256.23621	4.1
259.08142	0.4
263.07733	0.5
269.24805	0.7
287.07660	1.8
305.08566	1.5
323.09921	1.0
379.12476	6.9
380.12662	0.8
397.13501	37.7
398.13922	2.6
415.14554	8.1
416.15158	0.8
497.41760	0.3
589.25220	0.4
607.26489	0.8
627.04901	0.3
653.37347	0.7
863.48749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01584	0.5
60.34529	0.4
69.03338	0.9
71.01254	17.8
72.99196	1.9
73.02819	2.8
75.00748	0.7
75.74557	0.3
80.02541	1.2
80.96355	0.4
81.03328	2.1
83.01247	2.1
83.04902	4.0
84.02052	0.9
85.02821	3.7
87.00755	4.3
89.02319	14.5
93.03336	0.4
95.01254	1.2
95.04893	0.6
97.02827	3.5
98.19750	0.7
99.00776	1.1
101.02329	12.8
109.02892	0.7
109.06479	0.4
111.04377	0.6
113.02333	6.5
115.03900	0.5
119.03383	4.3
125.02344	6.5
127.03861	0.4
131.03406	1.0
135.08084	0.7
139.03931	1.0
141.01735	0.5
143.03430	2.1
159.33966	0.3
161.04463	3.0
163.11192	3.4
165.12775	2.4
165.69383	0.4
167.03412	0.8
179.05547	3.9
181.12270	0.8
191.10713	1.1
199.06165	0.5
199.13326	0.6
209.11774	100.0
210.12119	5.2
217.07133	1.1
221.06693	0.9
226.11746	0.4
227.12837	12.6
228.13141	1.0
235.08211	5.5
251.12978	0.4
253.09248	1.0
255.23277	54.9
256.23669	3.9
259.08276	0.5
269.24960	0.6
287.07678	1.5
305.08676	2.1
323.09796	1.2
350.39355	0.4
370.27676	0.4
379.12491	5.9
380.12924	0.7
397.13516	38.7
398.13794	2.6
415.14597	8.0
416.14886	0.9
540.96802	0.4
589.24438	0.5
607.25732	0.5
653.37250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81862	1.8
69.03315	2.6
71.01253	32.8
71.06727	5.8
72.05235	1.7
73.02827	6.8
81.03352	2.5
83.01279	3.8
83.04913	4.3
83.84826	1.8
84.01980	1.7
85.02821	6.9
87.00761	6.8
89.02323	28.4
95.04912	2.1
97.02839	14.2
99.00772	3.0
101.02328	24.6
105.01829	4.7
109.06476	32.7
113.02314	12.8
116.92735	11.9
119.03394	6.9
123.04398	2.2
125.02374	11.0
131.03401	2.0
135.08066	2.6
141.01833	2.5
143.03368	4.9
161.04436	5.2
163.11197	19.4
179.05489	5.6
181.12273	3.7
186.80919	1.9
189.09236	3.0
207.10219	100.0
208.10579	4.2
209.11769	3.5
225.11282	58.8
235.08192	8.5
243.12350	2.2
253.09355	2.5
255.23285	85.0
256.23688	5.8
259.08047	2.4
305.08783	2.7
379.12451	6.7
397.13464	69.4
398.13980	3.9
415.14645	16.2
511.35535	2.4
545.19379	2.1
605.24451	6.6
623.25751	5.4
653.37720	3.3
861.48572	58.9
862.49347	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	861.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.5
69.33775	2.4
69.34177	11.1
71.01256	23.2
71.04879	2.5
73.02822	3.8
73.48228	1.4
83.01261	3.3
85.02831	6.7
87.00761	7.8
89.02317	10.5
94.92287	1.4
95.01276	1.7
97.02841	13.9
97.06470	3.9
99.00161	2.3
99.00755	27.4
101.01735	1.9
101.02316	11.4
109.06467	4.6
110.03603	1.8
113.02336	7.8
116.92772	3.0
119.03371	3.2
123.08005	2.1
125.02314	8.5
125.09634	8.1
136.05136	1.5
142.02591	4.0
143.03392	3.3
163.11192	10.2
170.37216	1.5
179.05547	1.9
181.12254	20.6
199.13338	1.8
207.10204	70.2
208.10501	3.0
225.11272	100.0
226.11569	3.8
235.08215	4.3
243.09850	1.7
243.12338	33.2
244.12746	1.5
255.23267	76.3
256.23618	5.1
263.08279	1.7
290.81030	1.5
379.12482	2.9
397.13513	12.3
415.14511	2.8
602.12286	1.5
605.24500	18.3
606.25177	2.2
621.86865	1.5
623.25690	7.9
861.48505	75.2
862.49127	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	859.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01586	3.1
69.56316	9.9
69.56745	7.4
70.45097	1.9
71.01257	48.3
72.99201	2.9
73.02825	19.1
77.04039	2.0
83.01273	7.3
85.02833	30.0
87.00728	2.5
88.35925	2.0
89.02311	13.7
93.03305	2.2
97.02824	3.9
98.20518	4.5
99.00752	16.2
101.02328	45.7
113.02344	22.3
119.03365	2.6
125.02333	10.7
125.78145	2.3
129.01833	2.3
133.12553	2.6
137.02289	2.0
141.09145	2.8
143.03419	4.3
153.01843	4.2
153.09084	2.4
159.02928	4.4
161.02315	2.6
161.04405	15.4
163.18968	2.3
165.09160	2.9
191.05550	4.1
209.08089	2.4
225.14912	4.5
235.11852	65.2
241.14375	2.3
243.15933	17.2
277.12854	35.9
277.15726	3.2
321.06058	4.1
405.21326	8.2
537.25543	100.0
538.25879	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	857.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.0
71.01257	100.0
73.02821	7.5
74.12800	1.2
80.02563	3.2
81.03304	6.3
82.71765	1.3
83.01261	1.5
83.04914	7.3
85.02833	3.6
89.02302	3.5
93.03316	1.9
95.04884	4.2
96.95863	1.5
97.02832	12.9
97.42847	1.4
98.19759	2.9
99.00743	3.0
99.08039	2.5
101.02327	3.6
107.04903	1.7
109.06480	65.0
109.51402	1.5
110.03634	3.0
113.02391	1.7
114.01828	1.8
115.07525	3.6
116.92737	4.2
121.06469	4.9
125.05841	1.9
125.09596	5.6
127.11191	2.6
131.04529	3.3
132.02939	2.7
135.08107	8.2
136.05167	3.0
137.09605	3.9
139.07576	1.4
142.02618	7.4
145.10097	1.6
153.09135	3.1
155.10681	6.6
161.09610	4.8
163.11212	36.7
165.09190	2.7
167.10699	1.7
171.10176	16.3
179.05397	1.3
179.10733	1.4
181.08626	1.8
181.12260	15.0
185.11801	6.2
189.09134	2.1
197.11780	3.1
199.09686	39.6
200.09932	1.8
207.10210	84.3
208.10556	3.8
209.11783	10.4
215.12843	4.6
221.15060	1.2
225.11287	34.6
235.08099	1.4
243.12306	4.7
253.09265	2.9
277.21729	25.7
278.22095	3.0
311.22437	1.8
343.21271	2.7
343.28564	1.6
397.13657	3.0
570.74475	1.6
842.58356	1.5
857.45856	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	855.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	0.8
68.82001	0.7
71.01234	3.8
71.04898	5.3
71.59325	0.9
78.66628	0.7
83.01273	0.9
85.02803	1.2
87.00778	1.2
89.02309	2.9
96.95876	3.7
97.02840	1.1
97.06454	2.9
101.02315	2.1
101.51167	0.7
107.04880	1.1
111.08051	1.7
112.71493	0.7
113.02317	1.8
119.03363	0.8
121.02900	0.8
121.10112	2.3
123.04406	1.2
123.08062	0.8
125.02303	0.9
125.09644	3.8
135.04420	0.7
137.09624	5.2
139.11159	0.7
149.02351	0.7
161.04442	1.3
171.10185	13.2
185.11798	5.6
190.12292	1.2
193.16002	0.8
196.02261	0.6
197.11768	6.6
209.11824	2.4
211.13338	5.5
219.13887	0.9
227.12846	1.6
237.97307	0.9
247.20677	1.4
251.16510	12.0
253.09247	15.5
263.20142	0.8
265.18286	0.9
291.19675	35.2
292.19922	2.1
307.17462	0.9
309.20712	100.0
310.21213	6.6
397.13544	0.9
447.22971	1.1
507.43649	0.8
545.29834	2.7
579.24084	0.7
635.42499	0.8
645.44574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08432	2.5
69.03333	2.7
71.01255	86.6
71.59193	4.2
73.02821	10.6
77.11805	2.5
81.03337	7.4
83.04907	8.7
84.02020	3.6
85.02836	4.3
89.02272	3.7
95.04907	4.2
97.02840	13.4
97.06471	2.8
99.08024	3.5
101.02335	3.2
107.04904	3.1
109.06477	72.3
110.03645	4.1
115.07533	3.9
121.06468	4.9
125.02429	3.3
125.05989	3.9
125.09617	8.7
127.11192	7.4
135.08046	9.9
137.09650	6.3
141.09247	3.0
142.02646	4.4
153.09091	3.7
155.10666	7.0
163.11203	39.5
171.10184	28.3
181.08621	5.3
181.12309	16.7
185.11746	5.2
189.09163	3.9
199.09685	100.0
201.11343	3.6
207.10222	79.2
207.12184	3.9
208.10576	3.6
209.11797	8.6
215.12875	4.4
225.11285	36.2
233.20926	2.7
253.09206	3.8
257.04138	2.8
277.21713	18.0
309.20798	6.3
329.23361	5.9
397.13596	4.7
523.72003	2.7
626.87463	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	855.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45951	0.8
61.98697	1.2
69.03336	4.1
69.88352	2.2
69.88741	2.2
71.01255	8.6
72.99197	1.2
73.02847	2.3
78.95790	1.2
79.95586	0.9
83.01266	1.6
83.04883	1.8
85.02829	11.8
86.58732	0.8
87.00762	2.0
89.02306	4.6
95.01247	0.9
96.95890	15.0
96.96843	1.3
97.02828	5.0
97.06480	2.6
98.95484	1.4
101.02338	7.5
111.08039	8.4
113.02345	5.0
118.97903	0.8
119.03416	2.0
119.08590	1.3
125.09621	2.9
127.11179	1.4
137.09595	4.0
145.04991	1.5
151.11218	1.1
153.09212	1.0
155.10693	1.3
159.89476	0.8
161.04485	3.6
163.11177	1.5
165.12746	3.9
169.12215	2.5
171.10190	34.4
172.10527	1.8
177.12766	1.1
179.05527	1.1
181.12238	2.3
183.13831	2.8
193.12283	1.8
197.11769	38.8
198.12209	1.6
199.13351	2.2
201.11279	1.9
204.99123	0.8
209.11813	4.2
211.13350	19.0
212.13687	1.1
221.11787	2.3
222.48628	0.9
223.13254	0.9
227.12863	3.4
229.14398	8.8
235.08218	10.9
239.12749	1.2
247.20639	2.8
253.09282	39.6
254.09662	1.2
263.20267	1.8
267.23380	1.0
273.18500	2.0
291.19675	36.0
292.19980	2.8
293.21173	1.1
309.20721	97.6
310.21030	8.6
327.21768	100.0
328.22174	6.7
361.19809	0.9
452.77628	0.9
545.29620	5.4
563.30768	5.2
564.30402	1.3
619.42053	5.0
620.43164	1.0
658.17603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.0
60.36775	0.9
65.03825	3.9
67.01757	1.0
71.01254	2.7
71.59097	1.2
74.21146	0.8
74.27940	0.8
85.02802	1.7
86.66310	0.9
89.02330	1.5
90.21517	0.9
91.05413	12.8
93.03317	3.8
96.95879	3.9
98.19734	1.1
101.02330	1.7
108.02058	1.6
109.02844	28.8
111.53153	0.9
119.04886	1.2
121.02844	36.3
123.04379	1.3
125.02306	3.1
133.02859	1.6
134.03606	1.7
135.04419	100.0
136.04729	3.2
137.02339	2.0
143.03366	0.9
145.06073	1.1
147.04440	7.8
149.02382	2.2
150.03081	1.3
160.76068	0.8
161.02354	1.5
162.03111	4.5
163.03828	1.3
165.01787	1.8
165.05620	0.9
169.01299	1.7
175.03885	2.1
176.08371	1.3
177.01964	1.0
187.03870	1.1
189.09114	1.6
191.05499	2.1
191.07100	4.7
192.07912	1.2
194.02174	1.5
195.06441	1.4
201.09123	1.8
203.07083	2.4
204.07878	3.9
205.08585	2.9
206.09390	2.2
217.08652	35.6
218.09422	15.0
219.10231	11.9
229.08711	3.8
230.09375	3.4
232.11029	5.8
233.11786	9.9
243.10135	0.9
245.11867	6.3
285.94809	1.0
306.72177	1.0
312.25732	1.0
321.11389	1.1
323.12918	2.7
337.14450	1.8
339.12079	1.7
340.13449	1.1
354.14780	2.5
355.15479	39.3
356.15747	3.4
437.18240	1.2
499.19611	5.3
517.20862	6.3
558.20819	2.4
559.21820	57.3
560.21906	7.4
601.22809	4.4
703.26019	3.1
721.27136	4.6
738.28955	1.0
746.73749	1.4
763.28204	17.1
764.28119	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	849.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.1
71.01257	14.0
71.06542	5.1
71.06906	4.4
72.99181	4.5
88.98716	3.2
89.02333	8.2
97.06465	6.0
101.02328	11.9
108.20667	2.7
113.02350	5.4
125.02206	2.6
151.11163	12.7
161.38052	2.5
162.19092	2.4
169.12257	30.7
204.55988	2.2
213.11272	6.3
255.23286	53.0
256.23648	6.6
257.24139	3.4
397.13522	6.6
424.25424	4.8
428.03885	2.5
508.75958	2.6
606.90210	3.1
849.48505	100.0
850.48810	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	79.1
65.62917	1.9
69.03342	2.2
71.01259	47.2
71.58688	2.4
71.59150	3.8
72.99193	3.5
73.02818	40.5
75.00787	2.8
81.03330	2.1
83.01250	13.6
85.02846	9.4
86.86210	2.2
87.46018	1.8
89.02326	11.4
93.03353	5.7
96.95891	5.9
98.95477	2.2
99.00790	3.8
101.02322	35.4
109.02828	3.5
109.04899	2.0
110.26657	2.0
113.02321	20.8
119.03405	3.6
119.04920	67.4
120.05258	2.8
123.04453	4.0
125.02357	11.0
131.03416	4.7
137.02371	4.9
143.03400	5.5
149.02396	2.7
149.04539	4.2
150.03191	4.0
151.03889	4.2
159.04459	6.4
161.04485	15.4
173.06009	5.3
174.06796	5.8
177.01865	3.0
177.05519	7.2
185.06082	5.2
189.09131	13.0
190.09508	3.4
191.05591	6.6
193.04951	2.6
193.48906	1.8
202.06242	9.7
203.05531	2.3
203.07112	11.8
203.10741	3.2
213.05571	2.0
215.07094	27.5
216.07834	9.9
217.08643	79.4
218.08945	3.0
221.06619	5.3
231.10240	4.0
289.07364	3.9
305.11899	5.3
322.12021	15.9
337.14468	100.0
338.14853	10.1
439.16156	3.3
463.60938	2.5
499.19482	5.5
517.21088	12.7
541.21167	4.2
559.21802	57.5
560.22089	7.7
601.22797	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	849.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.5
69.61006	3.9
69.61436	3.7
71.01252	1.8
81.03345	1.6
81.44830	1.1
83.01276	2.9
85.02859	1.1
89.02301	1.3
93.03326	2.8
95.04897	1.4
95.06494	1.2
96.88194	1.0
97.02859	1.9
98.19819	2.4
98.82219	1.1
101.02266	1.6
109.02836	8.4
119.03416	0.9
121.02889	2.3
123.04441	7.6
125.02338	100.0
126.02703	3.2
133.02870	4.3
134.74101	1.0
135.04434	1.7
137.02351	13.0
149.02330	2.6
151.03882	7.5
159.04390	2.4
161.02364	22.4
161.06026	2.7
163.00258	2.6
163.03851	2.6
164.01076	10.4
165.01852	5.4
175.03920	7.3
177.01833	7.4
177.05463	1.5
179.03435	2.2
185.06007	1.3
187.03999	2.9
189.01788	1.9
193.04822	1.3
199.03973	1.6
201.05545	1.8
203.03485	2.8
203.07103	4.5
205.05028	3.3
217.05013	3.9
219.02861	2.0
227.03476	1.5
229.05006	2.2
230.05885	1.4
243.02948	4.7
245.04535	6.1
245.08226	3.1
253.04977	1.9
255.02916	4.2
256.03894	1.3
257.04532	1.4
269.04666	1.8
271.06076	6.1
273.07697	1.1
285.04181	1.3
285.39667	1.6
287.05609	22.6
289.07202	26.4
299.05710	3.4
341.06729	1.7
397.09314	8.0
407.07654	19.5
408.07822	2.0
409.09155	1.4
425.08749	11.9
433.09308	2.3
451.10565	6.0
504.31573	1.1
517.11285	2.0
559.12598	6.7
561.14020	1.4
577.13538	10.1
628.29108	1.2
697.15356	2.6
771.81256	1.2
789.21521	1.3
849.19037	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	849.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.6
69.03298	1.7
69.88316	9.0
76.58669	1.5
81.03316	1.8
83.01263	5.0
85.02825	2.3
93.03349	4.3
95.04925	1.9
97.02808	5.5
98.19740	1.5
100.64919	1.3
108.02108	1.9
109.02838	17.3
112.89305	1.6
119.04911	1.8
120.02020	1.6
121.02870	4.4
123.04397	13.0
125.02338	100.0
133.02847	6.5
135.04416	2.1
137.02353	21.1
139.03923	3.7
146.03632	3.2
149.02361	4.7
151.03908	9.3
159.04443	4.1
161.02345	24.6
161.05994	4.7
162.02979	1.5
163.00281	4.3
163.03900	4.3
163.99678	1.9
164.01057	37.9
165.01874	13.0
173.02333	1.6
175.03940	9.1
176.01083	2.9
177.01836	10.1
179.03398	4.3
185.06012	2.1
187.03915	6.6
188.04645	2.6
189.01933	2.1
191.05405	1.9
197.52789	1.4
203.03310	2.0
203.07094	9.0
205.01321	2.7
205.04996	5.7
217.01477	2.0
217.04921	4.2
227.03656	2.3
227.07028	2.0
229.05048	3.5
243.02936	6.1
243.06619	1.8
245.04533	5.5
245.08113	9.8
255.02872	5.6
255.06863	1.9
256.03757	3.8
257.04260	1.9
261.03973	3.5
269.04474	3.4
271.06091	22.6
272.06448	2.3
273.07669	4.2
282.01553	2.6
285.04004	2.0
287.05539	16.2
289.07196	54.5
290.07471	3.7
299.05450	1.5
300.02899	2.6
302.75546	1.6
329.07019	1.6
341.06509	2.2
389.06543	3.5
397.09091	2.7
407.07733	28.5
408.08026	3.3
413.08624	2.4
425.08859	4.3
433.09271	8.1
435.10779	5.2
436.07867	2.6
451.10052	3.9
477.12289	1.6
498.71597	1.5
543.13086	2.6
559.12518	15.1
561.13953	8.4
577.13251	3.2
697.15833	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	847.511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38023	2.0
69.38451	1.4
78.95774	3.5
80.96421	0.4
88.98710	0.9
89.02348	0.4
110.98410	3.0
167.01064	1.4
185.02182	2.2
211.13345	0.5
220.19025	0.3
224.73953	0.4
240.36591	0.4
255.23276	100.0
256.23624	6.8
281.24765	0.4
340.82877	0.4
423.25168	31.1
424.25464	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	849.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
70.04400	1.3
70.87202	3.2
70.87531	2.1
71.01270	1.4
83.01270	4.1
85.02835	1.4
93.03340	1.9
96.02602	1.4
97.02824	2.8
109.02853	11.8
121.02825	2.1
123.04443	8.5
125.02339	100.0
126.02666	2.6
133.02846	4.2
135.04436	3.7
137.02347	16.2
138.02745	1.4
139.03917	2.2
149.02353	3.1
151.03917	6.1
154.00221	1.3
159.04469	2.4
161.01099	2.1
161.02362	27.6
161.05968	2.7
163.00308	3.0
163.03909	3.0
164.01103	11.3
165.01837	6.3
166.02623	1.5
175.03947	7.8
177.01834	6.9
177.05473	1.9
179.03401	3.0
186.95395	1.4
187.03934	4.6
188.04704	1.6
189.01897	2.1
201.05626	2.1
201.95711	1.5
203.03435	3.4
203.07059	5.7
205.01498	2.2
205.05008	3.8
215.07164	1.6
217.05055	1.7
227.07129	1.9
229.04973	2.7
231.02914	2.6
243.02922	3.9
243.06766	1.5
245.04541	7.0
245.08232	6.5
255.02988	5.3
257.04358	2.0
269.04608	2.2
271.06128	6.1
281.04565	1.8
285.03979	1.6
287.05649	26.5
288.05865	2.0
289.07211	30.8
290.07404	2.4
299.05557	4.3
315.08862	2.1
339.08786	2.3
397.09317	9.1
407.07727	23.7
408.08328	3.3
425.08762	15.9
426.09186	2.0
433.09171	2.2
451.10477	8.2
559.12305	9.8
560.12756	2.0
577.13715	12.0
578.14001	3.0
697.15515	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	847.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
66.65678	3.5
69.45030	32.1
71.01257	22.8
73.02824	6.0
85.02817	12.6
87.00769	4.6
89.02297	4.8
93.03320	4.1
96.95903	4.0
98.20560	8.7
101.02356	8.1
113.02332	12.9
125.02296	6.9
153.09105	5.7
161.02339	4.1
161.04398	8.3
165.09146	5.4
205.06523	3.8
225.14967	6.1
243.06572	3.6
243.15974	24.6
296.78256	3.5
387.20248	67.8
388.20187	5.0
405.21310	10.3
447.22363	41.7
450.03049	4.1
463.26437	3.7
468.46057	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	847.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.3
67.01741	1.1
69.58142	1.4
69.58552	4.2
71.01242	1.4
73.02808	0.8
108.02087	0.9
109.02827	5.8
109.82133	0.6
121.02853	1.1
123.00786	2.2
123.04435	1.8
125.02349	1.9
134.03635	1.4
135.04420	1.4
136.01582	2.3
137.02341	28.8
138.02629	0.8
139.03896	1.2
149.02292	1.1
149.06050	1.3
150.03101	2.8
151.00273	13.4
151.03909	5.8
152.01003	2.7
152.04640	3.4
153.01797	0.8
159.04417	1.6
161.02330	1.7
162.03084	1.0
163.03914	1.1
164.01039	2.9
164.04750	1.0
165.01846	100.0
165.05490	4.1
166.02631	44.1
167.03307	3.6
175.03854	1.6
177.01877	3.5
177.05524	1.1
178.02597	1.7
179.03424	21.9
180.04201	54.6
181.04985	45.4
182.05310	2.4
184.03731	1.0
187.03918	2.1
190.02725	0.9
190.06300	1.2
191.03369	1.6
192.04214	0.7
193.05038	1.7
194.05777	3.2
195.02902	2.0
195.06557	72.4
196.06923	3.0
203.03387	0.8
204.04202	0.7
205.04976	4.9
206.05746	0.9
207.06654	2.3
210.05273	10.7
211.05875	0.9
219.06610	0.9
220.07300	4.0
221.08124	1.0
223.84785	0.8
225.07637	64.6
226.08023	2.3
341.06497	1.9
341.10257	1.0
359.11472	1.4
372.12137	1.1
386.13571	1.1
387.10184	6.5
387.15118	6.6
395.12393	2.3
402.13300	5.1
403.13928	1.9
416.14676	3.6
417.15530	59.4
418.15985	4.8
451.09995	1.4
565.17737	2.7
595.21832	55.1
596.22260	6.9
613.22858	1.2
625.22485	1.2
643.23981	16.4
644.24713	2.2
797.20221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.9
61.98712	2.3
71.01255	12.1
72.99160	1.4
73.02802	2.6
75.00749	3.4
78.95765	4.4
83.01266	1.7
85.02816	3.6
87.00752	3.6
89.02325	9.5
97.06469	13.3
101.02337	8.5
113.02303	3.8
119.03355	2.1
123.08015	7.7
125.02304	2.2
125.09618	100.0
126.09901	2.2
143.10649	2.2
150.83997	1.3
152.99507	7.9
154.50845	1.2
161.09961	1.2
169.08597	1.9
187.09697	66.5
188.10011	2.4
191.05556	3.4
209.11806	1.5
221.06577	2.3
249.13074	1.5
277.21725	13.0
278.22043	1.6
279.23264	4.8
280.23474	1.8
330.13226	2.1
397.13406	1.5
397.81015	1.3
480.76443	1.4
536.75397	1.3
567.22632	2.3
585.24084	9.1
683.14832	1.6
845.45404	86.4
846.45776	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	847.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.7
59.24998	0.6
69.69939	1.4
69.70351	3.4
73.19650	0.7
86.02334	2.0
90.81561	0.7
93.03336	1.2
95.04835	0.6
96.95924	1.3
98.19817	0.8
108.02016	1.7
109.02138	1.4
109.02832	19.6
112.00289	1.5
117.03326	0.9
118.23744	0.8
119.04956	0.9
121.02801	1.1
123.04408	10.7
125.02360	1.5
131.03720	1.2
132.02057	1.0
132.04427	2.2
133.02870	4.2
134.03613	8.3
135.04411	1.3
137.02341	2.2
144.04420	1.4
145.02841	1.0
147.04401	3.0
149.05971	3.2
150.03148	1.5
151.03903	4.8
157.07628	12.5
158.05981	1.7
159.04417	1.7
160.01590	6.3
161.02353	7.5
162.03027	1.2
163.03899	1.4
175.03912	9.8
177.01837	21.3
178.02141	1.0
179.03418	0.9
187.03957	1.0
189.01851	41.7
190.02580	11.1
191.03452	8.7
195.06689	1.1
203.03465	5.6
216.00558	5.5
217.01373	31.0
218.01859	2.7
219.00899	1.0
219.02972	12.0
219.07707	9.1
227.07129	0.8
231.02959	9.2
232.03491	1.7
233.04500	1.4
281.04568	1.9
289.07138	1.7
297.07806	1.4
299.05603	4.3
323.05582	2.1
341.06635	99.2
342.07001	8.1
395.12445	18.1
395.33881	0.8
396.12723	2.0
451.10327	100.0
452.10623	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	841.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.9
69.03333	0.5
69.55098	2.6
69.55504	1.5
71.01258	0.7
78.47535	0.6
80.02570	0.7
81.03371	0.5
82.60230	0.5
83.04908	0.7
85.02837	0.6
87.00751	0.5
96.95905	0.9
97.02845	2.3
98.19773	0.6
104.25429	0.6
123.04422	1.7
123.08067	1.4
125.09639	0.9
135.56912	0.5
137.09663	1.0
151.11189	4.3
153.09154	0.7
153.12772	1.1
159.80618	0.5
163.11252	0.6
164.51512	0.5
165.12790	1.4
171.10185	3.2
177.12766	1.6
179.14330	0.6
185.11769	1.2
188.72484	0.6
193.12360	0.7
195.13835	4.5
203.14388	0.7
209.11790	1.1
211.13399	2.0
221.11812	2.3
221.15422	1.3
239.12875	1.6
240.13660	0.9
247.20628	6.3
253.09410	3.6
273.18692	1.3
277.21710	0.8
291.19669	81.3
292.19962	8.0
295.22766	8.5
296.23114	0.8
309.20715	100.0
310.21033	8.2
428.26404	0.6
459.11395	0.5
552.66742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	28.7
60.99171	6.7
69.03338	4.0
71.01253	22.3
71.05757	3.2
72.99197	6.5
75.00759	6.7
84.03016	4.1
85.02828	5.4
87.00735	7.8
88.98696	31.8
89.02328	21.6
95.86478	3.5
96.95888	5.9
101.02319	13.6
113.02328	6.3
119.03412	5.4
119.04889	3.0
125.02333	5.1
146.46147	3.7
171.10233	6.1
174.10794	3.2
179.05531	7.2
209.11711	6.1
235.08163	4.0
263.07571	4.0
282.05298	3.2
293.21231	5.5
305.32599	3.3
325.25327	7.4
343.26367	6.1
369.24377	7.7
387.25363	18.6
397.13522	8.6
405.26505	26.2
589.16376	3.4
633.95795	3.5
734.37567	4.4
785.39636	100.0
786.40076	13.9
859.29700	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	845.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.6
71.01241	10.9
71.06596	3.6
71.06918	4.5
72.99142	3.8
73.02826	4.1
83.01261	2.5
87.00742	4.9
88.98680	3.8
89.02319	9.5
95.04902	4.4
97.06475	14.7
101.02299	9.4
104.57717	2.4
113.02376	2.8
123.08049	5.5
125.02352	3.5
125.09618	64.6
126.09930	3.6
156.47754	2.4
187.09705	35.2
221.06665	3.0
277.18970	3.3
277.21735	31.9
397.13254	6.7
439.26407	2.6
567.23022	3.0
585.25079	3.6
845.45404	100.0
846.45837	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	841.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.9
71.01253	3.4
73.02831	0.4
75.00748	0.8
82.67559	0.5
83.04906	0.8
85.02830	0.8
89.02321	2.2
96.95886	4.8
97.02814	0.6
99.08030	1.6
101.02338	2.7
113.02310	0.9
113.09610	1.7
116.92737	1.5
119.03387	0.6
129.09134	3.1
131.03363	0.5
139.11160	1.3
139.33447	0.5
151.11183	1.0
160.86171	0.5
161.04445	1.8
163.11183	0.8
167.14267	0.6
169.12253	2.2
171.10175	1.9
181.12274	3.2
183.13806	2.2
193.12273	2.0
197.11765	6.4
198.12015	0.5
199.13329	3.8
209.11792	0.8
211.13338	14.6
212.13795	0.6
235.08202	0.6
253.09262	13.1
254.09618	0.6
265.21643	1.0
275.20264	1.2
279.23245	0.8
280.23407	0.5
293.21216	12.8
294.21545	1.3
311.22278	100.0
312.22668	7.1
350.62781	0.5
547.31189	2.8
605.44330	2.8
832.68481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.1
65.54197	0.7
68.66970	0.7
69.03317	2.6
71.01243	1.5
79.42995	0.7
80.02106	0.7
80.02555	0.8
82.81498	0.8
83.04903	0.9
87.00751	0.7
89.02329	0.9
96.95878	1.6
98.19754	1.2
101.02321	1.2
107.08519	0.9
109.06466	0.9
111.08014	0.9
113.09558	0.9
116.92741	1.8
119.04971	0.8
119.08549	7.7
125.09608	4.4
127.11137	1.3
133.87743	0.7
135.08032	1.7
137.09625	16.2
138.09941	1.2
139.11168	1.4
151.11232	1.0
153.09058	0.8
155.10672	2.1
157.85670	0.7
167.10718	2.4
171.10182	62.7
172.10524	4.5
174.90857	0.8
183.10204	2.7
185.11765	12.6
186.12106	0.7
195.10153	1.5
195.13774	1.8
197.11778	3.4
201.11276	5.1
209.11887	1.3
211.13321	2.5
213.11267	3.9
223.13356	1.5
225.11301	0.9
229.19530	2.5
253.09261	10.3
254.09578	0.8
273.18570	4.2
274.19009	0.8
275.86707	0.7
277.21628	2.4
291.19656	22.4
292.20068	3.1
293.21225	3.5
295.22781	28.1
296.23117	1.7
309.20706	100.0
310.21033	15.9
311.21561	5.5
737.66364	0.7
750.23108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.1
60.58200	0.7
61.98695	1.9
64.10114	0.6
66.71257	0.6
68.87476	0.5
69.03317	1.8
71.01249	4.8
73.02817	0.6
78.95778	0.7
79.95609	0.9
83.01220	0.6
83.04887	1.5
85.02821	1.6
87.00762	1.3
89.02333	3.8
96.95894	25.1
96.96859	1.6
97.02847	1.4
97.06470	0.8
99.08019	1.1
101.02328	5.2
111.08032	8.6
113.02345	3.6
113.09599	1.4
119.03396	1.1
123.08070	0.8
125.09593	0.7
127.07538	0.6
129.09087	2.6
137.09616	0.7
139.11156	0.6
143.03452	0.7
151.11185	1.5
153.09203	0.8
153.12708	0.7
161.04449	2.1
165.12801	1.1
169.12242	5.1
171.10188	4.5
179.05540	1.0
179.10776	0.8
181.12227	3.3
183.13841	2.0
193.12238	2.9
197.11765	46.5
198.12119	1.5
199.13326	5.6
201.11227	1.3
209.11678	0.9
211.13327	20.7
212.13704	1.1
223.09499	1.3
227.12842	2.2
235.08182	2.3
253.09262	27.3
254.09682	0.8
263.20044	1.8
265.10422	0.6
273.18408	1.1
275.20120	1.1
277.21622	1.9
278.22012	0.9
283.11600	1.0
291.19681	14.9
292.19974	0.9
293.21219	12.4
294.21494	1.6
302.79077	0.7
309.20721	56.8
310.21030	4.7
311.22278	100.0
312.22699	7.1
343.21115	1.0
527.28094	0.7
545.29651	1.5
547.31256	2.3
603.42834	3.7
705.54285	0.7
729.47321	0.7
840.96118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
61.66100	0.4
61.98695	0.5
67.01746	0.7
69.03322	2.7
69.29750	2.1
69.30177	3.7
70.91868	0.5
71.01263	0.7
83.04874	0.9
89.23194	0.5
93.03332	0.6
96.95875	1.0
97.06435	0.8
97.33683	0.5
98.19749	1.0
109.06422	0.7
111.08088	0.7
119.08553	7.4
121.10119	1.0
125.09617	4.1
127.11165	2.2
135.08031	1.3
137.09627	13.6
139.11145	1.2
151.11224	0.9
153.09076	0.6
155.10629	2.2
157.12231	0.6
167.10674	2.2
169.12230	0.6
171.10182	58.2
172.10486	2.4
183.10188	3.2
185.11775	12.6
186.12019	0.6
195.10226	0.8
197.11716	2.0
201.11217	4.7
209.11789	0.7
211.13324	1.8
213.11288	3.4
225.11240	0.6
229.19560	1.3
247.20662	1.0
253.09290	1.0
272.93253	0.5
273.18582	6.2
281.21448	0.5
291.19675	22.1
292.20004	1.6
293.21228	4.5
309.20703	100.0
310.21127	7.7
328.64380	0.6
388.98218	0.7
392.62241	0.6
840.47864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.7
59.35727	0.3
62.86247	0.3
69.27955	3.4
71.01257	1.7
73.02845	0.3
78.92753	0.3
78.95765	0.3
85.02826	0.3
89.02317	1.0
96.95900	0.5
97.02835	0.5
97.06454	0.5
101.02319	1.3
107.08554	2.3
109.06464	0.7
111.08045	1.9
111.18810	0.3
113.02345	0.8
117.28252	0.3
119.03391	0.4
125.09585	0.4
127.07613	0.5
127.61195	0.3
135.08076	0.4
137.09624	0.9
139.11237	1.8
141.09106	0.4
149.79463	0.3
152.55838	0.3
153.12738	0.4
161.04494	0.6
165.12744	0.6
167.10738	0.4
169.12193	0.7
171.10188	1.5
177.12802	0.4
179.05484	0.3
181.12308	0.5
183.10164	0.5
193.12312	0.5
195.13834	0.7
197.11768	8.7
198.12105	0.4
199.13310	1.8
209.11745	0.5
211.13370	2.0
211.85739	0.3
213.11346	1.7
219.00824	0.3
222.61804	0.3
223.13332	0.4
229.14433	1.7
229.19452	0.4
235.08174	1.0
239.12828	1.3
247.20663	1.7
253.09254	5.9
263.20114	1.7
265.18118	0.3
266.68307	0.3
273.18549	1.5
277.21710	13.5
278.22083	1.1
279.23096	0.4
289.18051	0.6
291.19672	20.9
292.20023	1.3
293.21237	1.1
307.19241	0.5
308.19995	3.2
309.20724	17.4
310.21091	1.2
311.22342	0.5
323.22278	100.0
324.22614	6.1
325.20386	0.7
545.29700	0.5
741.48871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.2
61.98710	0.6
69.03320	1.4
71.01254	4.6
71.04924	0.4
73.02825	0.9
78.95782	0.6
79.95606	0.5
81.03333	0.3
83.01283	0.3
83.04914	1.1
83.99480	0.3
85.02817	1.4
87.00743	0.8
89.02323	3.3
89.42169	0.3
93.07001	0.3
95.04884	0.4
96.95891	3.2
96.96857	0.8
97.02844	2.5
97.06471	0.6
99.00768	0.3
101.02329	4.0
103.94097	0.3
109.06490	0.8
111.08043	10.3
113.02333	2.2
119.03360	0.9
123.08034	0.4
125.09611	0.8
127.07555	0.9
137.09628	0.9
139.11220	0.4
141.09026	0.3
145.04979	0.5
147.50560	0.3
151.11176	1.0
153.09123	0.4
153.12764	1.0
155.10751	0.4
161.04466	2.4
163.11169	0.7
165.12726	1.8
166.09947	0.3
167.10706	0.4
169.12260	4.5
171.10164	2.2
179.05566	0.7
179.10683	0.6
179.14241	0.4
181.12251	2.1
183.13837	1.3
193.12280	0.8
193.15981	0.4
197.11771	51.4
198.12096	2.1
199.13312	3.2
209.11780	1.3
211.13353	8.9
212.13641	0.4
221.11707	0.4
227.12845	2.3
235.08209	2.3
247.20705	1.5
251.16516	0.4
253.09274	21.9
254.09654	1.1
263.20169	3.1
265.18130	1.6
273.18622	1.2
277.21793	0.6
278.22028	0.4
279.23224	0.9
280.23633	0.5
291.19656	30.9
292.19971	2.6
309.20712	100.0
310.21054	8.3
423.43924	0.3
433.20679	0.7
527.28510	0.7
537.13190	0.4
545.29797	1.9
601.40808	1.7
602.41895	0.5
710.02460	0.4
837.50598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.7
61.98703	0.8
69.03320	1.2
69.67249	0.4
70.64040	0.7
70.64378	0.9
71.01258	4.8
71.47143	0.4
73.02826	1.1
81.03377	0.6
83.01260	0.9
83.04905	0.8
85.02844	1.4
87.00771	0.6
89.02315	3.5
96.95889	2.4
99.00816	0.5
101.02326	5.5
109.06462	0.7
111.07280	1.0
111.08045	16.1
113.02354	2.5
119.03364	0.6
122.52420	0.4
127.07480	0.8
127.51664	0.4
137.09647	0.5
141.09067	0.5
143.03453	0.6
153.09091	0.5
153.12794	1.5
161.04405	2.4
165.12788	0.7
167.10782	0.5
169.12283	7.1
171.10170	1.0
179.05521	0.9
179.10719	0.8
181.12206	1.8
183.13818	1.1
197.11775	74.2
198.12090	3.5
199.13383	4.4
209.11734	1.1
211.11465	0.9
211.13351	11.5
212.13681	0.5
227.12901	2.8
235.08250	2.6
247.20592	0.7
253.09282	20.9
254.09549	0.8
258.03586	0.4
263.20258	3.8
265.18103	1.9
273.18555	1.4
275.27844	0.6
291.19666	27.6
292.19989	2.1
309.20712	100.0
310.21066	7.7
311.22205	0.5
354.11676	0.5
433.20877	1.2
527.28900	0.6
545.29614	2.4
601.41425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	12.8
71.01255	14.1
72.99186	1.6
73.02806	3.5
73.10281	1.5
75.19031	1.3
76.44761	1.3
83.01271	2.7
85.02825	4.7
88.03915	2.1
89.02314	4.7
93.03336	4.3
96.95888	4.8
99.00762	9.8
101.02297	5.8
106.29313	1.4
108.02056	3.9
113.02341	7.4
119.04917	82.6
120.05222	2.2
121.02835	5.8
121.83382	1.2
125.02324	3.5
131.03481	1.7
131.04501	3.1
132.02876	2.3
134.03586	1.7
135.04425	14.5
137.02370	1.9
149.02303	2.4
150.03137	5.5
151.03841	2.6
152.01057	1.6
156.09895	1.7
160.03862	1.5
161.04485	1.6
161.05890	1.5
165.05321	1.8
175.07687	1.5
176.08333	8.7
177.01874	1.9
179.07031	5.8
187.07582	4.0
191.05499	3.0
201.09106	3.9
204.07849	24.4
205.08621	8.4
216.07864	1.5
217.08675	10.7
218.09383	2.2
219.10213	100.0
220.10529	4.5
233.11839	2.2
297.28745	1.5
323.12885	5.8
338.15179	2.4
339.16016	17.7
341.06421	1.7
395.13269	2.8
400.22708	1.6
413.14569	17.2
455.16180	1.6
501.21036	2.2
513.19690	3.7
543.21735	1.7
545.20300	6.1
615.24371	21.4
616.24658	4.7
633.25592	53.7
634.25983	8.4
675.26355	6.3
676.25989	1.5
777.29822	2.6
837.38171	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	835.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.2
59.71165	1.1
61.98699	4.1
71.01259	14.3
71.58530	1.7
73.02827	2.9
79.95634	1.3
80.02530	1.7
80.96404	2.9
83.01260	3.3
83.04903	3.0
85.02809	4.2
87.00772	2.3
89.02326	6.9
94.81991	1.2
95.01270	1.5
95.04923	2.0
96.95905	8.6
97.02837	3.5
97.06490	6.8
101.02336	8.4
109.06464	2.4
111.08042	16.0
112.08435	1.1
113.02343	5.5
118.08812	1.2
119.03387	1.8
123.04388	3.2
125.09610	5.1
127.07512	3.3
137.05969	1.3
137.09610	4.1
143.03409	1.4
145.04982	1.4
151.11201	3.5
153.01396	1.3
153.12781	2.0
161.04433	3.7
163.11208	6.4
165.09128	1.1
165.12744	4.1
169.12315	6.2
171.10255	2.2
179.05530	1.6
179.10703	1.9
181.12331	5.9
181.50600	1.3
183.13744	2.4
185.11757	5.2
191.10667	1.6
191.14339	6.9
193.12175	1.2
197.11783	83.5
198.12061	2.9
199.09735	2.3
199.13385	5.6
207.10225	4.6
209.11787	24.7
211.13359	14.9
212.13831	1.5
225.11337	4.5
226.12048	1.3
227.12839	6.8
235.08139	5.1
237.11275	6.2
245.19099	14.6
246.20001	1.3
247.20650	1.6
253.09302	36.9
255.23256	1.8
261.18539	1.3
263.20209	14.0
265.18045	2.2
271.17123	2.0
273.18701	1.6
277.21603	6.5
279.20248	1.7
279.23248	8.0
287.16840	1.4
289.18118	67.5
290.18488	3.8
291.19699	32.5
292.20087	1.6
305.17639	1.9
307.19180	87.8
308.19482	3.5
309.20728	100.0
310.21030	6.8
379.37424	1.2
445.20682	4.5
463.70264	1.5
538.02332	1.5
543.27942	4.0
544.05127	1.4
545.29285	2.0
614.57507	1.5
782.67743	1.3
835.44757	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	835.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.7
59.01254	9.4
69.03325	0.7
69.28298	1.1
69.28735	2.1
71.01257	8.4
72.74516	0.2
72.99186	0.6
73.02812	1.1
74.98970	0.3
78.07211	0.3
79.95612	0.5
80.02538	1.4
81.03329	1.6
83.01250	1.1
83.04900	5.2
83.87798	0.3
84.02038	0.9
85.02829	2.3
87.00744	2.0
89.02322	6.9
93.03320	0.5
95.01259	0.4
95.04900	1.2
96.95904	2.3
97.02828	1.4
97.06498	0.3
98.20566	0.5
99.00754	0.5
101.02323	7.0
102.38787	0.3
103.95745	0.3
108.13922	0.3
109.02831	0.5
111.00741	0.3
113.01623	0.4
113.02336	4.0
119.03403	2.2
121.02826	0.4
123.00797	0.3
123.04444	0.5
123.08067	0.3
125.02332	3.0
125.05981	0.7
128.03467	0.3
131.03413	0.4
133.02873	0.3
134.03598	0.3
135.04401	0.5
135.08055	0.8
136.77716	0.3
137.02361	0.9
138.95195	1.0
139.03876	0.4
143.03409	1.3
149.02315	0.4
151.03914	0.6
161.04469	1.9
163.11209	4.3
165.12758	2.5
167.03522	0.3
171.10132	1.4
177.01845	0.4
179.05521	1.8
181.12262	0.6
191.05533	0.3
191.10712	1.3
196.03683	0.4
199.13330	0.5
209.11775	100.0
210.12123	5.4
211.13326	0.4
217.07106	0.4
221.06641	0.7
223.06033	0.3
223.13519	0.6
227.12849	14.7
228.13231	0.8
235.08203	2.1
247.13416	0.6
251.12959	0.5
253.09427	0.4
263.07712	0.3
265.14310	0.5
287.07700	0.6
289.07156	0.7
294.05698	0.3
305.08783	1.0
306.07635	0.3
323.09808	0.5
325.39926	0.3
379.12457	2.7
397.13492	19.5
398.13800	1.3
415.14548	5.5
416.15009	0.3
607.26355	0.8
666.05463	0.3
784.27826	0.3
799.37238	1.1
835.39478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.9
61.98693	2.8
69.03320	2.9
71.01256	12.5
72.99201	1.4
73.02805	3.4
75.00774	1.3
78.42554	1.2
78.95706	0.9
79.95612	1.9
80.96405	1.3
81.03333	2.1
83.01248	3.1
83.04897	2.1
83.55491	1.0
85.02819	2.5
87.00756	2.6
89.02320	5.8
92.88036	1.1
95.01279	2.2
96.95916	6.6
97.02826	3.8
97.06466	5.3
98.19775	2.4
101.02334	10.5
109.02823	1.7
109.06461	2.4
109.26116	1.1
111.00775	1.9
111.08034	20.0
111.82669	1.2
113.02332	5.0
113.36844	1.2
114.05502	2.0
115.96621	1.3
119.03368	4.0
119.08599	1.1
121.00430	1.1
123.04423	3.0
123.08042	1.7
125.02355	1.3
125.09618	5.8
127.07523	1.2
134.03648	1.1
135.08064	1.7
137.09627	5.5
137.10547	1.2
139.11255	1.3
141.12753	1.5
151.11186	1.8
153.12743	1.7
161.04454	3.5
161.09570	1.1
163.11206	8.9
165.12717	3.5
167.10631	1.2
167.54002	1.0
169.12288	8.9
171.10220	3.5
179.05470	2.0
181.12309	2.8
185.11761	8.6
191.01808	1.5
191.05515	4.5
191.14357	13.1
193.05003	1.9
193.12247	2.2
197.11769	100.0
198.12157	4.3
199.09679	1.7
199.13286	6.4
200.44527	1.2
207.10173	4.0
209.11761	23.6
211.13327	15.6
225.11292	3.6
227.12895	4.9
235.08234	5.4
237.11298	7.2
245.19099	16.4
247.20644	1.5
253.09265	34.7
255.23170	2.4
263.20074	10.6
265.18048	3.2
271.16980	3.6
273.86197	1.2
277.21777	5.4
279.23291	4.6
287.16467	1.6
289.18103	86.4
290.18475	6.4
291.19662	37.8
292.19925	1.6
293.21277	2.0
305.17535	2.4
307.19141	83.3
308.19528	7.7
309.20706	94.1
310.21042	4.2
339.11194	1.4
397.13300	1.4
481.25980	1.9
481.78558	1.2
543.27783	2.7
726.13623	1.2
835.42529	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	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	29.7
61.98706	43.4
69.03339	4.1
70.47448	1.5
71.01259	100.0
71.58495	3.3
72.01580	2.1
73.02825	6.0
79.95583	1.9
80.96408	2.2
81.03362	2.8
83.01260	3.5
83.04906	4.7
85.02835	7.4
87.00751	6.7
89.02331	17.4
93.03342	1.7
95.01319	1.7
96.95906	4.4
97.02827	4.9
99.00771	4.1
101.02326	20.7
109.06463	6.8
110.03679	1.7
113.02355	9.0
119.03420	6.3
120.60679	1.8
124.67831	1.8
125.02323	6.4
141.01801	3.0
143.03400	2.5
161.04477	4.6
163.11192	6.8
165.12778	2.3
171.10202	14.4
179.05502	6.3
181.12300	4.9
183.13818	7.9
199.13332	12.6
200.13670	2.0
201.11275	11.1
207.10217	24.4
209.11800	44.6
211.13358	62.8
212.13612	3.0
225.11308	26.0
227.12851	37.8
228.13220	2.2
229.14384	2.4
232.49086	1.6
235.08205	6.0
239.81039	1.8
243.12381	3.5
251.12682	1.6
253.09319	3.2
277.21878	3.6
279.23447	4.3
309.67175	1.8
379.12308	3.3
397.13498	34.4
398.13882	4.1
401.23541	3.3
415.14633	9.7
419.24158	3.1
486.35196	2.2
571.45667	2.0
605.25397	2.2
625.26721	3.8
799.37683	5.0
817.38434	9.8
818.39392	4.6
835.39520	17.2
836.39191	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	835.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	29.7
61.98706	43.4
69.03339	4.1
70.47448	1.5
71.01259	100.0
71.58495	3.3
72.01580	2.1
73.02825	6.0
79.95583	1.9
80.96408	2.2
81.03362	2.8
83.01260	3.5
83.04906	4.7
85.02835	7.4
87.00751	6.7
89.02331	17.4
93.03342	1.7
95.01319	1.7
96.95906	4.4
97.02827	4.9
99.00771	4.1
101.02326	20.7
109.06463	6.8
110.03679	1.7
113.02355	9.0
119.03420	6.3
120.60679	1.8
124.67831	1.8
125.02323	6.4
141.01801	3.0
143.03400	2.5
161.04477	4.6
163.11192	6.8
165.12778	2.3
171.10202	14.4
179.05502	6.3
181.12300	4.9
183.13818	7.9
199.13332	12.6
200.13670	2.0
201.11275	11.1
207.10217	24.4
209.11800	44.6
211.13358	62.8
212.13612	3.0
225.11308	26.0
227.12851	37.8
228.13220	2.2
229.14384	2.4
232.49086	1.6
235.08205	6.0
239.81039	1.8
243.12381	3.5
251.12682	1.6
253.09319	3.2
277.21878	3.6
279.23447	4.3
309.67175	1.8
379.12308	3.3
397.13498	34.4
398.13882	4.1
401.23541	3.3
415.14633	9.7
419.24158	3.1
486.35196	2.2
571.45667	2.0
605.25397	2.2
625.26721	3.8
799.37683	5.0
817.38434	9.8
818.39392	4.6
835.39520	17.2
836.39191	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	831.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.5
61.05621	0.6
63.69644	0.5
67.65208	0.6
69.67759	0.6
70.90923	0.6
70.91251	1.4
73.02802	0.6
74.42365	0.6
78.95777	95.2
79.40637	0.6
79.95588	1.0
80.96384	2.2
96.96843	20.4
99.08682	0.6
99.92412	0.6
134.98421	1.0
141.01584	2.6
146.27309	0.6
152.99498	24.6
159.02200	0.5
166.08530	0.6
171.00510	0.7
223.00079	8.7
223.02061	1.0
230.97876	0.6
232.97488	1.2
241.01160	44.0
242.01515	1.2
255.23276	66.7
255.35245	0.7
255.38049	0.6
256.23538	3.8
259.02213	2.6
262.85547	0.6
277.21725	41.5
278.22079	3.1
297.03824	2.3
315.04941	0.8
315.53183	0.6
355.78656	0.7
391.22516	10.4
409.23447	0.8
413.20996	2.2
553.27838	10.4
554.27972	1.2
571.28986	1.9
575.26086	1.2
775.41858	0.7
831.50311	100.0
832.50586	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	835.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.5
64.93763	0.4
69.35595	0.4
69.35916	3.9
71.01257	2.0
73.02822	0.5
85.02830	1.1
87.00746	0.3
88.54370	0.3
89.02330	0.6
93.03317	2.1
96.95854	0.4
98.20505	0.7
101.02353	0.9
108.02061	1.7
113.02346	0.8
119.04916	100.0
120.05262	3.1
121.02853	2.2
123.04440	0.4
137.02347	0.6
145.04997	0.4
148.37222	0.3
149.02356	1.0
150.03096	2.0
161.04630	0.5
161.05917	0.8
162.03149	0.7
163.03978	0.6
163.11317	0.4
175.03931	0.7
176.08318	4.1
179.05583	0.7
179.07031	3.0
187.07590	0.4
189.05426	0.5
203.07147	0.9
204.07855	14.8
205.08611	6.7
206.08907	0.5
208.07350	0.9
209.11801	4.1
213.09085	0.5
217.08662	6.8
218.09337	1.7
219.10211	82.2
220.10548	4.7
227.12915	0.5
233.11777	1.9
245.11807	1.0
281.08289	0.8
323.12854	2.6
324.13641	1.7
337.14536	0.7
338.15292	1.3
339.15994	53.5
340.16315	5.2
391.13986	0.6
397.13513	0.5
483.20239	7.9
484.20731	1.0
501.21344	2.8
502.21509	0.5
525.21436	4.2
543.22321	17.4
544.22760	3.2
581.62683	0.4
585.23676	2.9
586.23773	0.7
604.66370	0.3
627.33710	0.5
645.36023	0.6
687.36249	0.4
752.88849	0.5
783.48566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.2
60.67480	1.7
61.98698	4.9
64.54010	1.6
71.01256	3.6
71.57924	3.5
78.95797	4.1
89.02311	3.1
101.02325	3.1
111.08022	2.6
155.38258	2.0
171.10214	2.2
183.13786	7.0
197.11792	16.2
211.13344	100.0
212.13701	7.5
227.12813	2.3
235.08151	7.7
253.09309	10.8
289.18057	2.1
291.19681	15.0
309.20703	34.9
310.21146	3.9
348.98392	1.9
447.22583	8.3
591.86572	2.2
666.87000	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	831.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.9
59.55995	0.4
65.41222	0.4
71.01253	1.8
71.58669	0.9
73.02819	1.1
78.95774	0.7
84.34834	0.5
85.02834	0.8
96.95863	1.0
103.89245	0.6
108.01993	0.6
109.02832	0.9
113.02372	0.5
119.04909	0.5
123.00718	0.6
123.04391	7.1
125.02360	0.8
134.03592	0.5
135.04382	0.7
137.02327	3.2
139.03827	0.7
146.42978	0.5
149.02354	1.0
151.00291	4.9
151.03912	17.4
152.01068	1.0
152.04564	0.5
165.05484	1.6
166.02629	13.6
167.03304	1.0
175.04073	0.5
177.01877	1.0
179.03419	100.0
180.03764	5.1
181.04976	13.7
182.05296	0.7
183.03310	0.6
187.03830	0.6
191.03598	0.7
193.05026	0.9
194.05779	76.2
195.06285	4.6
209.08138	83.2
210.08467	4.0
220.07285	0.5
221.08064	0.7
359.11639	0.5
372.11896	0.9
387.10648	1.9
387.14828	7.5
402.13422	1.2
417.15540	19.6
418.15991	1.6
473.20294	0.6
492.12421	0.6
503.45734	0.5
597.23285	2.0
627.24500	22.6
628.24579	3.2
779.11639	0.5
800.90918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.1
61.58207	0.5
63.22221	0.6
69.74702	2.7
71.01254	1.4
78.95806	0.6
85.02812	1.2
96.95901	1.2
108.02042	0.8
109.02847	1.8
123.00766	2.4
123.04459	1.0
124.01553	1.6
125.02367	1.4
137.02351	10.0
139.00246	1.4
139.03914	2.5
149.02344	2.0
150.03108	0.7
151.00281	20.7
151.03944	2.7
152.00993	1.9
152.04683	2.5
153.01709	0.6
159.04440	1.2
161.02324	0.7
163.03918	0.7
164.04637	0.8
165.01826	1.3
166.02628	68.2
167.03401	4.5
173.02365	1.2
175.03871	3.3
175.07527	0.6
177.01886	3.2
177.05399	1.4
178.02563	1.1
179.03465	1.2
181.04988	90.5
182.05334	2.9
184.03671	1.5
187.03918	1.6
190.02684	1.3
190.06293	1.3
191.03423	3.1
192.04041	1.0
193.04997	1.6
195.02895	0.7
205.04988	4.4
205.08586	1.1
206.05788	2.4
207.06493	1.2
218.05762	1.0
219.06549	0.8
220.07347	2.9
221.08099	4.5
235.09618	1.2
312.06644	1.3
339.08560	1.8
343.11667	0.7
354.11075	1.9
357.09714	1.2
359.11313	2.0
372.12250	5.1
387.10632	11.0
387.14560	24.8
388.10641	0.8
388.14981	1.4
399.14404	2.1
401.16110	1.1
402.13205	10.5
403.13678	2.0
417.15543	100.0
418.15829	7.9
431.17072	0.8
475.92209	0.6
528.99408	0.7
582.82587	0.7
597.23297	7.9
609.23376	1.6
627.24475	33.3
628.24823	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	831.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	82.2
60.20108	3.5
70.87303	7.5
70.87610	4.0
71.01263	40.8
73.02820	39.5
83.01249	15.4
85.02837	7.1
87.00732	5.5
89.02303	7.1
93.03332	13.9
96.95906	13.3
101.02319	43.2
109.02844	6.9
113.02323	14.7
114.96432	3.5
119.03429	10.1
119.04909	3.7
121.02831	8.7
122.03629	16.2
125.02345	7.8
134.03616	6.4
135.04419	9.3
136.01511	5.6
137.02328	16.4
143.03418	3.8
147.04369	4.2
149.02357	28.3
149.04445	8.4
150.03156	95.1
151.03978	5.6
153.01859	5.5
153.05574	5.1
161.02356	4.9
161.04498	14.3
164.04652	5.2
165.01894	3.8
165.05498	100.0
166.06009	4.6
178.02664	4.4
179.03412	7.0
180.04143	7.9
181.04936	3.9
191.05569	6.1
193.05031	4.9
195.06584	59.4
196.06787	4.5
324.09964	5.2
339.08615	4.9
339.12372	5.8
341.10306	4.2
354.95261	4.4
369.13278	16.1
387.14575	6.0
535.19867	14.0
573.19873	5.5
583.21747	5.9
787.26050	4.7
831.27057	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	831.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
65.40165	3.5
69.45197	34.7
71.01258	60.8
73.02824	51.5
83.01254	22.9
85.02818	13.3
85.99063	3.1
87.00770	4.9
89.02308	12.8
93.03349	3.5
95.01234	4.6
96.95882	11.3
101.02329	61.5
109.02887	3.5
113.02340	25.8
120.01181	3.5
121.02814	11.0
122.03632	11.2
123.04469	5.8
125.02328	8.0
131.03358	5.3
134.03633	3.7
135.04395	5.0
137.02257	4.9
143.03409	4.2
149.02359	22.8
150.03142	63.6
151.03902	3.6
152.00990	4.3
161.02315	5.3
161.04475	19.4
164.04704	7.5
165.01854	6.8
165.05475	56.8
177.05548	4.4
180.04184	4.7
191.05536	7.6
193.04951	4.6
195.06541	31.6
197.26685	3.4
269.92731	4.5
324.10214	4.4
339.08670	12.5
339.12408	6.9
369.13470	31.8
517.18774	11.4
535.19617	7.4
777.83905	4.4
792.97675	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	829.459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	1.4
59.00947	1.0
59.01250	15.8
60.99177	0.9
69.03326	1.2
71.01258	15.3
72.99180	1.5
73.02815	2.6
77.81915	0.5
79.16467	0.6
81.03333	1.1
83.01273	1.9
85.02825	3.8
87.00769	4.2
88.98666	2.4
89.02316	11.5
89.86423	0.5
91.26916	0.5
93.03336	0.5
95.01252	1.2
97.02823	2.9
99.00790	1.2
101.02326	12.5
107.04863	0.5
113.02330	7.8
119.03377	2.9
125.02344	7.2
125.09617	1.0
127.11208	2.4
131.03282	0.6
139.03842	0.6
143.03436	2.5
153.09094	0.7
161.04518	3.4
167.03416	0.7
171.10188	100.0
172.10536	2.9
179.04172	0.6
179.05516	3.4
199.06085	0.8
209.04533	0.6
213.11481	0.6
217.07162	0.9
219.04968	0.5
221.06654	1.2
235.08156	5.2
241.99377	0.6
253.09190	0.9
277.21735	51.0
278.22131	3.7
287.07697	1.3
305.08618	1.6
379.12531	8.1
380.12851	0.8
397.13513	33.0
398.13821	1.9
415.14597	8.3
551.23761	0.9
569.24915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.9
59.47550	0.6
65.25256	0.6
70.50393	2.0
71.01250	4.2
72.73096	0.7
73.02820	0.9
83.01235	1.0
83.04906	0.8
85.02824	0.9
87.00728	0.8
88.98679	1.1
89.02287	2.4
91.03882	0.8
97.02809	0.8
97.06477	1.3
101.02308	2.6
104.03420	2.4
113.02325	1.5
119.03381	1.0
121.06478	0.8
123.04453	1.1
123.08160	0.8
125.09624	2.0
135.08139	0.9
137.09622	0.9
140.62567	0.7
156.84622	0.8
161.04504	1.0
163.11195	2.5
167.14243	1.0
170.45575	0.6
171.10199	1.8
177.19536	0.6
183.13869	6.1
185.11754	2.7
191.14357	2.6
193.12402	1.6
207.10234	1.6
209.11801	7.6
211.13341	100.0
212.13618	3.8
235.08176	3.1
245.19115	4.8
253.09320	9.7
263.20221	1.5
264.37125	0.7
271.16946	1.4
277.21652	2.1
289.18100	27.1
290.18521	1.1
307.19183	25.3
308.19406	1.7
315.25388	1.0
341.43530	0.8
397.13312	0.8
447.22128	3.9
501.32056	2.1
543.28296	0.9
621.33014	2.7
719.39911	0.9
737.41614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	0.8
59.01251	17.6
60.99152	0.9
71.00891	1.4
71.01259	16.5
71.36288	1.2
72.99194	1.6
73.02820	3.4
73.83872	0.8
78.52674	0.7
81.03300	0.9
83.01273	2.7
85.02818	3.6
87.00765	6.1
88.98698	3.6
89.02317	14.5
95.01286	1.9
97.02827	3.0
99.00790	0.9
101.02327	13.4
108.55424	0.7
113.02332	7.4
115.03906	1.0
119.03410	4.4
125.02337	7.7
125.09614	1.2
127.11165	2.2
131.03410	0.7
141.01904	0.9
142.68484	0.7
143.03423	3.4
161.04507	3.9
171.10188	100.0
172.10521	3.4
179.05580	3.8
199.06107	1.0
211.84026	0.8
217.07097	1.3
221.06433	0.8
235.08197	6.7
253.09312	1.8
263.07724	0.7
277.21725	66.8
278.22110	4.9
287.07819	2.3
291.23322	1.1
305.08752	1.7
323.10028	1.2
379.12491	9.6
380.12814	1.0
397.13489	38.6
398.13913	2.3
411.32297	0.7
415.14551	8.7
433.81360	0.8
474.96954	0.8
634.23267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72987	2.7
71.01257	5.5
71.34896	6.8
87.51360	2.2
88.03920	65.6
88.04469	3.5
109.02835	5.4
114.01888	6.1
115.00288	11.3
119.96186	2.4
123.04439	4.6
125.02334	34.1
127.67678	2.2
132.02927	100.0
135.04474	5.8
137.02367	6.8
151.03889	3.0
151.28888	2.4
161.02388	9.1
165.01823	3.0
177.01814	2.6
191.05467	5.5
203.07245	3.4
205.05028	2.5
207.24722	2.3
245.04576	3.2
250.07187	90.7
251.07443	6.8
273.04257	2.8
287.05573	5.2
289.07184	28.5
407.07697	35.4
408.07843	3.8
425.08771	32.8
426.08868	4.7
451.10345	10.3
554.83984	2.8
577.13477	19.3
788.37952	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	829.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	9.2
61.25795	1.2
68.47822	1.3
71.01261	5.6
73.02834	2.6
83.01250	1.3
85.02837	3.5
87.00755	1.5
89.02319	2.8
89.91222	1.2
93.03357	2.7
94.04215	1.4
96.95885	3.6
101.02306	3.5
113.02280	1.5
117.03364	2.2
119.04938	1.7
121.02835	12.1
123.04420	1.2
123.50894	1.2
125.02341	1.8
134.03673	1.3
135.04446	2.8
137.02350	3.4
147.04410	2.9
149.02351	63.6
150.02788	2.1
151.03860	3.8
162.03262	1.2
163.03976	1.4
164.04698	50.6
165.05333	1.5
175.00296	3.8
178.02583	1.5
179.06949	6.1
190.02664	11.2
191.05510	1.7
193.01454	1.6
196.03740	1.6
196.83115	1.3
203.03224	1.2
205.05020	17.6
208.03728	3.8
223.06068	100.0
224.06416	3.6
243.15993	2.8
310.49057	1.3
347.12503	1.2
392.07901	1.4
519.24640	2.5
561.24963	2.7
579.26575	3.7
728.45483	1.5
785.32465	5.7
829.44727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	21.7
69.17316	11.3
69.34646	11.4
71.01240	19.5
71.07399	34.7
71.60916	12.9
82.03419	11.5
96.95883	33.7
97.41064	13.2
126.76776	14.3
129.61031	12.9
171.10146	25.5
201.11198	22.2
209.11748	100.0
227.12761	20.7
253.09215	22.7
254.81973	12.5
309.20886	25.0
311.22229	54.3
446.08420	12.9
532.90051	15.8
637.88464	14.6
794.27167	15.5
825.44440	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00441	0.7
59.01250	16.4
69.94144	1.6
69.94556	1.6
71.01254	19.0
71.04880	0.8
72.99191	1.3
72.99620	0.6
73.02827	4.2
77.77483	0.5
81.03326	1.5
83.01257	2.8
85.02816	4.9
87.00719	0.8
89.02315	13.4
92.29898	0.5
93.03326	0.9
95.01263	1.3
95.04903	1.6
97.02826	4.0
98.57507	0.5
99.00754	8.1
99.04422	1.5
101.02319	10.3
109.02837	9.7
113.02337	9.5
119.03402	5.1
121.02835	1.5
122.03649	1.0
123.04414	6.6
123.08091	1.1
125.02344	8.5
131.03410	1.1
135.04390	0.7
137.02332	4.7
137.03958	0.5
137.09601	0.9
138.06708	0.7
139.03900	1.4
141.09125	2.5
143.03391	1.6
145.02820	0.6
146.03734	0.7
149.02341	1.7
149.04471	1.6
150.03111	2.4
151.03931	2.9
151.11171	0.8
153.09116	2.0
155.62305	0.5
159.04413	1.2
160.05180	1.1
161.04465	3.4
161.05968	2.4
162.03139	0.7
164.01056	1.5
165.01802	2.4
165.09113	2.1
167.03471	0.7
175.07536	1.3
179.03406	2.2
187.03926	1.8
188.04692	2.3
189.12756	0.7
191.05533	1.6
195.06537	0.8
202.06342	1.0
203.07043	5.9
205.04942	3.7
207.13832	2.4
221.08064	1.4
223.13319	0.9
225.14928	3.8
227.07010	0.9
241.14389	1.3
243.16002	21.1
244.16328	1.6
245.08101	4.9
282.00705	0.6
289.07181	19.4
290.07532	1.5
393.78436	0.6
405.21198	6.6
406.21628	0.8
476.95001	0.6
537.25507	100.0
538.25800	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	824.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.8
61.98690	2.3
69.03327	3.4
69.25678	28.4
71.01259	3.5
78.95778	8.4
81.03349	4.0
83.01267	8.0
83.04891	3.8
85.86370	2.1
95.04912	4.5
96.95915	2.7
97.06480	8.0
109.06465	3.1
116.92726	3.1
123.04411	7.3
123.08056	4.2
125.09631	14.8
135.08092	3.2
137.09616	8.9
157.21350	2.4
163.11234	14.0
181.12247	5.0
185.11775	12.2
191.10573	3.6
191.14386	16.5
207.10213	10.4
209.11780	84.0
210.12074	4.2
225.11359	7.0
242.07851	3.8
245.19080	31.1
271.17056	4.8
277.21713	100.0
278.22098	6.9
289.18103	94.9
290.18518	7.2
307.19168	76.6
308.19409	5.4
502.29272	33.9
550.26929	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	823.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	20.2
61.98721	9.9
63.19377	1.8
69.03353	2.8
69.71435	1.8
69.73019	11.2
71.01259	23.1
71.01620	2.6
72.99169	2.2
73.02834	5.8
79.95620	3.3
80.96410	8.1
83.01234	4.3
85.02826	6.7
87.00757	3.6
89.02319	15.6
96.95910	6.3
97.02834	5.4
97.06477	9.1
99.08114	2.3
101.02338	20.6
107.07459	2.0
113.02345	9.2
113.46612	1.9
116.68643	2.2
119.03430	4.7
123.08070	4.8
125.02322	2.4
125.09626	34.5
129.09117	2.5
137.09561	3.2
139.11174	3.0
143.03423	2.6
161.04466	4.5
165.12740	2.1
171.10187	22.6
179.14297	2.0
181.12248	3.6
183.13823	4.1
187.09679	18.2
191.05786	2.4
193.12344	4.3
195.13814	16.6
197.11760	9.3
199.13483	4.3
209.11751	5.5
211.13374	32.3
221.11710	3.4
223.13387	4.5
229.14468	17.1
235.08296	9.1
247.20860	3.3
253.09273	61.3
254.09576	2.5
255.23315	19.0
265.10403	2.0
275.20047	10.0
277.21753	81.8
278.21930	5.2
291.19626	24.2
292.19968	2.6
293.21243	88.9
294.21469	4.9
295.22766	50.3
296.23206	4.0
309.20697	45.1
310.20822	3.6
311.22296	100.0
312.22690	3.7
327.21790	85.3
328.21960	3.5
341.47775	2.3
397.13327	2.1
397.69147	1.9
545.29602	3.0
547.31323	2.7
563.30762	4.2
587.43213	6.4
648.68317	2.6
679.77557	2.3
733.36975	2.4
805.40656	2.5
823.47125	56.0
824.47058	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	823.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
61.98706	0.5
69.03324	1.8
71.01256	7.5
71.04884	0.7
73.02824	0.7
73.91164	0.4
80.02563	0.8
81.03328	0.9
83.04903	3.9
85.02816	0.5
93.03357	0.7
95.04919	2.1
96.78716	0.4
97.06478	3.2
98.20582	1.0
101.02345	0.6
107.04906	0.6
108.02050	0.5
109.06453	0.8
111.08052	3.2
113.09609	4.5
118.16308	0.4
123.08066	0.6
125.09609	2.7
127.11143	0.8
134.03569	0.5
137.09599	1.0
139.07611	0.4
139.11168	1.7
145.10149	1.0
147.11684	1.4
149.09616	1.9
149.49709	0.5
151.03857	0.4
151.07552	1.2
151.11194	20.9
152.11539	0.7
153.12749	1.8
155.10638	0.8
161.09605	0.7
163.11224	3.2
165.12769	23.7
166.13106	0.8
167.10715	1.6
173.09663	0.7
177.09106	0.9
179.10698	7.9
179.14342	1.4
181.12262	27.8
182.12650	1.1
191.10707	15.1
192.11093	0.7
193.15959	0.8
195.10258	0.7
197.11775	0.7
209.11774	100.0
210.12111	4.7
211.13367	4.0
225.11212	0.5
227.12857	5.0
247.20619	5.4
252.09840	0.4
253.09293	1.3
263.20203	2.5
265.21689	3.3
273.18561	0.9
277.21741	9.3
278.22021	0.8
281.21274	3.2
291.19672	12.6
292.20053	0.7
309.17188	2.6
309.20679	37.5
310.17767	0.6
310.20999	2.6
323.89584	0.4
499.50748	0.4
738.78729	0.4
823.40222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	14.0
71.01239	17.8
80.96388	20.5
87.84145	11.3
96.95905	35.2
105.84914	11.6
116.92734	32.3
127.07549	11.4
132.36700	11.0
133.28816	12.2
139.33429	10.7
149.02347	14.0
171.10161	24.7
197.11859	19.8
199.09546	11.5
201.11313	20.3
207.10164	18.7
209.11795	100.0
211.13318	14.2
223.06064	44.4
225.11214	20.4
227.12856	24.5
238.09024	10.7
253.09201	27.5
291.19702	21.3
307.19272	31.1
309.20773	60.9
373.05661	12.0
386.21780	12.5
501.59082	13.8
735.52173	13.6
823.41858	41.8
824.41431	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	823.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	1.5
59.01253	29.2
61.98696	3.1
64.37086	1.3
69.03356	3.4
70.38111	1.3
70.82595	3.1
71.00894	2.8
71.01257	27.3
72.99181	2.6
73.02834	4.4
79.95613	1.7
80.96399	5.2
83.01253	3.5
83.04906	3.0
85.02827	13.2
87.00759	5.8
89.02312	21.5
91.03821	1.3
94.97929	1.6
95.01265	2.1
95.04921	2.5
96.95891	5.3
97.02826	4.4
97.06480	18.5
99.00746	2.4
101.02336	24.1
111.08042	1.3
113.02334	10.2
113.09621	2.0
119.03394	6.2
123.08039	8.4
125.02347	4.4
125.09619	77.7
126.09925	2.2
128.77992	1.7
137.09615	3.1
143.03320	3.2
148.20453	1.3
155.10667	1.6
161.04477	5.4
165.12752	1.8
167.10609	2.0
169.08588	1.6
171.10184	27.1
172.10472	1.9
179.05464	2.3
181.12303	2.6
183.13811	2.9
187.09697	40.4
193.12277	2.0
195.13794	9.2
197.11775	5.8
199.13347	2.9
201.11340	2.5
209.11884	2.6
211.13318	18.5
219.09959	2.0
221.11760	2.4
223.13318	3.3
225.00638	1.9
227.12764	2.0
229.14394	7.1
235.08229	8.3
247.09492	10.7
253.09265	42.6
255.23305	43.8
256.23697	1.7
259.29007	1.5
265.10623	12.5
273.12085	1.4
275.20090	3.3
277.21729	59.8
278.22144	4.2
278.59766	1.7
279.23141	2.6
291.19727	12.9
293.21237	71.8
294.21561	4.8
295.22797	30.7
296.23096	2.5
309.20691	29.1
310.21167	2.9
311.22290	55.3
312.22614	4.9
327.21765	71.9
328.22171	6.2
397.13458	5.9
399.06271	1.3
405.09381	1.4
415.14554	1.7
501.19345	1.7
545.29620	1.9
547.31757	1.8
563.30737	3.4
567.23297	2.2
585.23773	1.8
587.43317	6.9
595.76489	1.5
733.38513	3.0
761.39575	1.7
823.46979	100.0
824.47217	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
59.26477	0.3
60.01594	0.9
61.98706	1.8
71.01259	3.4
80.96411	1.7
83.01276	0.6
85.02835	0.7
86.48818	0.4
87.00764	0.8
89.02308	2.2
96.99219	0.5
97.02850	0.9
98.19749	0.9
101.02309	2.5
113.02362	1.7
119.03410	0.5
125.02319	1.0
137.82454	0.4
141.01613	52.6
142.02031	1.2
161.04527	0.4
175.63361	0.4
197.11829	0.6
211.13359	0.6
225.00713	0.6
235.08296	0.9
243.05128	0.6
253.09239	0.5
257.06470	0.5
279.23288	6.8
288.68481	0.4
291.19788	0.8
305.23517	0.5
361.23645	4.6
362.23865	0.7
388.88858	0.4
397.13458	11.4
398.14053	1.1
415.14493	2.2
419.11700	2.2
437.12799	4.5
677.38062	0.9
699.36530	1.5
705.67712	0.5
819.39362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.6
61.98716	10.4
62.58065	1.1
69.03316	1.1
70.37060	2.0
70.37411	3.1
71.01239	5.7
73.02808	1.1
79.95606	1.9
80.91570	1.4
80.96378	7.6
85.02813	1.7
89.02286	5.0
94.97935	1.7
96.95888	2.1
97.02821	2.8
101.02327	6.6
111.08027	7.7
113.02329	2.7
149.04483	1.0
161.04469	3.5
169.12262	2.2
171.10193	4.0
195.13850	8.9
196.14395	1.2
197.11783	38.4
198.12189	1.5
199.13385	2.3
211.13324	8.1
223.13371	5.6
225.00720	1.8
227.12747	1.8
235.08238	3.0
247.20879	1.4
253.09270	24.0
256.13007	1.4
263.20148	2.4
275.20145	9.3
277.21710	1.5
291.19635	23.4
292.20026	2.2
293.21228	100.0
294.21500	7.4
309.20718	62.2
310.20956	5.0
391.25479	1.2
502.00626	1.1
545.30090	1.4
585.41925	2.0
715.13324	1.2
803.39429	1.6
821.42108	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	819.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01598	1.5
61.98707	5.5
66.24162	0.5
70.01749	2.9
70.02134	0.8
71.01254	3.8
80.96410	1.4
85.02837	0.8
87.00773	1.1
88.72438	0.6
89.02334	2.1
91.10152	0.5
95.01235	0.5
95.53010	0.6
96.99225	1.5
97.02837	1.9
98.35700	0.5
101.02344	1.9
113.02354	1.2
119.03375	0.7
125.02367	1.4
125.09754	0.5
141.01604	57.8
142.01932	1.2
160.13606	0.5
235.08192	0.7
245.47179	0.6
265.41873	0.6
279.23285	7.0
352.16241	0.6
361.23590	5.1
362.23682	0.6
397.13492	12.5
415.14862	2.0
419.11655	2.4
437.12674	3.6
443.60007	0.6
577.36658	0.6
635.50085	0.5
677.38202	1.0
699.36279	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	817.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01603	0.8
61.98704	9.8
65.10576	0.4
69.03325	0.6
71.01247	2.3
73.02815	0.6
80.96414	0.5
81.03351	0.4
83.48846	0.4
85.02863	0.7
87.00775	0.7
89.02324	2.2
93.10993	0.4
96.95876	0.5
96.99199	0.6
97.02845	1.4
101.02313	2.7
108.99577	0.4
113.02341	0.9
119.03408	0.8
125.02349	0.9
141.01602	57.6
142.01962	1.1
142.05037	0.6
153.01631	0.5
197.11710	0.8
202.18654	0.4
209.11784	1.4
211.13379	0.6
212.66928	0.4
229.36940	0.5
235.08177	1.3
243.04790	0.6
253.09097	0.5
256.67429	0.4
271.65430	0.4
277.21729	5.8
278.22070	1.2
309.20715	0.4
311.22305	1.2
359.22107	4.4
397.13535	12.1
398.14084	1.2
415.14536	2.9
419.11679	2.3
419.28101	0.7
437.12573	4.1
473.33417	0.5
507.27274	0.4
697.33661	2.3
701.17090	0.4
707.36060	0.4
721.85370	0.4
817.38336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.4
59.01248	2.9
61.98693	0.5
63.96112	1.8
68.30322	0.3
69.03337	1.1
70.86497	0.8
71.01255	9.3
72.99187	0.5
73.02810	2.3
78.95776	0.5
78.98463	7.7
79.95604	14.8
80.96392	91.0
81.03331	0.9
81.95190	0.4
82.95969	2.4
83.01277	0.4
85.02822	3.9
87.00748	4.2
90.69231	0.3
93.85460	0.3
94.97964	22.4
95.01263	0.6
96.95895	1.8
96.97549	0.4
97.02836	2.5
99.00763	1.1
99.04421	0.4
101.02309	3.7
105.20385	0.3
106.97971	4.7
109.12954	0.4
113.02318	0.4
116.97174	0.5
121.39355	0.3
122.97484	5.1
125.02348	6.0
127.03910	1.4
134.97478	7.8
136.99048	2.4
146.97466	0.7
148.99055	9.1
152.98538	9.2
152.99483	0.4
161.04495	0.5
164.98546	20.9
165.58693	0.3
165.98831	0.7
167.00111	0.9
179.00145	0.4
182.30342	0.3
188.98460	0.8
189.22426	0.3
206.99631	5.0
225.00699	28.0
226.00984	1.2
227.00551	0.5
232.97365	0.4
255.23300	3.0
279.23331	1.7
283.04825	0.5
376.89365	0.4
423.20999	0.3
531.12646	0.4
537.27350	2.2
561.27271	2.5
562.27246	0.5
706.86676	0.4
766.36975	0.4
817.51343	100.0
818.51691	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	817.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01600	0.9
61.98706	11.3
62.32142	0.5
70.63881	1.3
70.64273	0.8
71.01266	2.9
73.65207	0.5
74.93705	0.5
77.65150	0.5
79.65628	0.4
80.96402	1.7
87.00752	1.0
89.02315	2.4
97.02850	1.0
101.02348	1.6
112.92485	0.5
113.02316	1.0
119.03367	0.6
139.66142	0.5
141.01602	53.4
142.01944	0.8
197.11865	1.2
199.13379	0.6
207.10289	0.7
209.11816	3.5
211.13388	0.6
216.16464	0.6
218.67290	0.5
234.33014	0.5
235.08263	1.2
243.04898	1.0
277.21646	5.4
277.23901	0.5
278.22113	0.8
293.21146	0.6
311.22311	1.8
359.21982	4.6
360.22437	0.7
397.13513	10.7
397.18552	0.7
398.13855	0.9
415.14325	2.3
419.11768	2.2
437.12793	4.4
468.53287	0.6
498.39639	0.5
546.02264	0.6
697.34497	1.6
765.76447	0.6
817.51788	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01601	1.1
61.98706	9.5
64.49979	0.4
70.88538	1.5
71.01245	2.7
73.02863	0.7
80.96400	2.1
85.02833	0.7
87.00755	0.9
89.02320	2.1
94.97980	0.8
95.01330	0.7
96.95894	0.6
97.02844	0.8
101.02339	1.6
113.02378	1.2
119.03395	0.9
122.67538	0.6
125.02319	1.2
141.01598	53.5
142.02019	0.8
163.54855	0.5
179.05580	0.7
194.63277	0.5
196.41982	0.5
209.11737	0.8
211.13422	0.8
225.00764	0.7
227.43889	0.5
235.08284	1.2
253.09323	0.5
256.90054	0.5
272.30087	0.5
277.21735	6.7
278.22095	0.7
305.09006	0.6
355.82370	0.5
359.22037	4.4
360.22528	0.8
381.95068	0.5
397.13470	12.3
398.13922	1.0
415.14517	2.5
418.40457	0.5
419.11859	1.9
437.12646	3.8
697.34619	1.9
770.01825	0.5
817.52020	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	817.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
58.00473	1.9
59.01252	100.0
64.19051	1.1
69.03330	2.8
69.34291	3.6
69.34714	7.7
71.01260	53.3
72.99171	2.4
73.02821	61.2
83.00806	1.4
83.01266	18.7
85.02823	8.0
87.00752	4.2
89.02320	10.8
93.03334	2.8
95.01261	2.3
96.95881	2.1
97.02818	1.5
99.00712	1.7
101.02328	53.3
108.02052	2.0
109.02805	3.7
113.02337	22.2
117.03312	1.5
119.03392	6.7
121.02830	1.3
122.03608	2.2
123.00764	1.5
123.04386	1.9
125.02333	10.9
131.03362	4.4
133.02798	2.1
134.03703	1.3
135.04387	2.6
136.01549	2.3
137.02341	9.0
143.03395	5.2
145.02841	8.9
146.03630	3.4
147.04385	1.7
149.02315	5.8
149.04446	5.0
150.03119	14.8
150.06816	2.3
151.00294	11.9
151.03928	6.0
153.01839	1.4
161.02426	8.6
161.04465	13.4
161.05795	2.0
162.03140	34.6
163.07494	3.6
164.04678	1.3
165.01880	6.1
165.05495	14.2
166.02638	28.6
167.03221	1.9
170.41798	1.1
175.03926	1.9
176.00974	2.0
177.01880	4.1
177.04054	1.6
177.05490	18.8
179.03404	2.3
179.05652	1.2
180.04182	5.3
181.05005	27.0
187.09761	1.1
191.03409	2.6
191.05479	1.8
192.04225	4.0
193.04933	1.8
194.05719	1.1
195.06557	16.8
203.05632	1.3
204.04243	1.8
207.06581	3.5
214.87791	1.0
219.06581	2.4
221.06570	1.9
223.06108	2.3
225.07687	5.8
279.01517	1.6
289.07211	2.0
306.07727	1.3
339.10812	1.4
365.16110	1.3
377.76581	1.2
387.10315	2.1
387.14474	4.5
402.12943	1.6
416.14618	2.1
417.15567	13.7
522.31775	2.2
565.20642	4.2
577.20813	23.5
578.21045	3.2
613.23383	1.5
817.42377	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	817.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.4
59.01257	7.1
67.01789	1.1
69.45662	7.6
71.01244	3.2
85.02826	3.0
89.02327	1.4
93.03325	4.9
93.49410	1.1
95.01253	2.3
95.04904	1.3
96.95885	2.7
98.19855	1.9
101.02298	1.4
105.03375	1.7
108.02036	1.5
109.02853	5.8
121.02837	7.9
122.03629	13.7
122.25588	1.0
123.00786	2.6
123.04417	2.2
124.01505	1.7
125.02331	2.8
126.27843	1.0
133.02831	2.8
134.03613	3.0
134.55042	1.2
135.04405	3.5
136.01520	2.8
137.02345	18.7
138.03195	1.1
139.03871	2.1
147.04436	1.2
149.01228	1.6
149.02350	29.2
149.05856	1.1
150.03130	97.8
151.00259	16.6
151.03912	6.3
152.01016	2.5
152.04630	5.3
153.01814	2.1
159.04417	2.1
161.02325	2.3
162.03152	2.0
163.03894	1.6
164.04701	6.9
165.01791	4.7
165.05486	100.0
166.02628	44.5
166.05788	2.2
167.03273	3.5
173.05956	1.2
175.03894	3.2
177.01784	3.7
177.05499	2.5
178.02620	2.8
179.03423	2.8
179.07172	1.2
180.04213	8.0
181.04987	52.5
182.05330	3.1
184.03696	2.1
187.03893	3.6
190.02733	1.2
190.06329	2.4
191.03387	1.1
191.05423	1.8
192.04179	1.8
193.04926	4.2
195.06572	62.3
196.03723	1.6
196.06908	2.8
202.06320	1.2
205.05026	7.3
206.05746	1.6
207.06549	2.0
220.07358	6.3
221.08040	2.1
225.07701	1.6
282.05237	1.0
289.06912	1.4
315.08688	1.8
329.10205	3.4
339.08481	2.1
355.11795	1.1
372.12219	1.2
377.51358	1.3
386.13818	1.2
387.09781	6.4
387.14938	12.5
395.12592	1.3
399.14359	1.3
402.13354	5.6
403.13849	3.1
416.14780	3.0
417.15524	79.7
418.15930	7.7
535.16449	3.3
565.20728	69.4
566.21063	8.9
583.21918	2.9
595.22113	2.0
613.22913	28.2
614.23230	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	815.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	5.4
60.77921	2.0
60.99165	2.4
65.06392	2.2
68.33474	1.7
71.01262	4.6
72.47528	1.8
78.95792	16.1
80.96413	3.3
83.04910	2.9
88.98673	8.0
89.02332	4.3
98.20547	5.7
99.90447	2.0
113.02368	2.3
113.18346	2.0
152.99463	6.1
163.11215	2.5
171.10184	8.8
209.11795	100.0
210.12149	5.1
227.12871	8.6
235.08217	4.3
241.01205	9.2
253.09251	6.5
255.23320	10.5
277.21719	79.6
278.22040	7.8
279.23065	2.1
302.97067	2.0
445.20847	3.4
529.23871	2.0
725.39569	10.1
797.41565	9.9
815.44501	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	813.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
59.01249	7.4
68.10659	0.6
71.01263	3.3
72.99207	0.8
73.02827	1.0
76.22172	0.5
83.01293	1.2
85.02821	2.2
88.98656	0.7
89.02319	2.0
91.05436	0.8
93.03355	1.4
96.95876	1.3
99.00759	2.2
100.28693	0.6
101.02322	2.1
108.02062	0.8
109.02873	1.0
109.17255	0.6
113.02301	2.0
116.20412	0.6
117.03352	0.9
119.04902	1.1
121.02831	10.1
125.02350	1.1
132.02003	1.6
135.04422	1.6
137.02415	1.7
147.04419	4.0
149.02348	66.3
150.02733	2.0
151.03926	1.2
163.03902	1.8
164.04701	54.3
165.01857	0.7
165.05104	1.3
169.04837	0.7
175.00281	3.7
179.03407	1.0
179.07069	5.3
190.02666	8.9
191.05634	0.7
201.05399	0.8
205.05017	12.8
206.05319	0.8
208.03667	1.8
209.11795	0.9
223.06068	100.0
224.06425	5.1
303.65005	0.7
422.90912	0.7
466.39249	0.7
503.24677	1.4
526.63678	0.7
563.27319	1.8
769.32556	4.5
770.33984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	16.1
61.20266	2.3
61.98699	2.8
69.90021	2.2
71.01263	9.0
71.04893	2.6
71.58526	4.1
72.99158	2.8
87.00795	2.7
88.98685	2.6
89.02312	3.4
96.95870	4.0
97.02841	9.6
99.00768	13.3
101.02301	3.0
111.08025	3.0
116.92708	2.7
125.09620	7.3
135.04440	2.4
163.11154	11.5
166.09720	2.4
171.10257	5.2
181.12262	14.2
197.11777	14.6
197.62283	2.4
199.13263	5.9
207.10219	47.1
208.10425	3.5
209.11757	8.9
211.13254	3.5
225.11279	100.0
226.11633	6.4
227.12804	7.3
243.12364	17.2
247.20586	3.7
253.09283	7.9
289.18115	5.3
291.19669	25.2
309.20709	50.2
310.20929	5.0
429.29681	3.1
439.95300	2.7
461.20316	27.3
517.31952	2.8
753.40649	39.8
754.41003	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	809.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
58.31986	0.1
59.01245	0.4
59.31095	0.1
69.99905	0.2
71.01253	0.3
95.04920	0.1
97.06464	0.5
108.62164	0.1
114.05524	0.3
119.96544	0.1
121.10101	0.2
123.08066	0.4
125.09614	2.7
126.09923	0.2
139.11183	0.2
141.12764	0.8
149.09624	1.4
151.11140	0.3
167.14284	0.2
171.10161	0.2
185.11755	7.5
186.12152	0.3
197.11746	2.2
209.11856	0.3
211.13379	0.3
214.78352	0.2
219.12254	0.2
235.08115	0.2
236.10461	0.3
249.22215	0.8
253.09349	0.8
275.20184	0.6
279.23291	6.6
280.23627	0.3
293.21219	100.0
294.21561	7.9
300.89282	0.1
617.85724	0.2
618.45898	0.1
743.10846	0.2
750.23456	0.2
777.55969	0.1
809.42407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.0
63.57141	0.6
92.79060	0.6
113.09629	1.6
116.92713	0.6
151.78798	0.6
178.00137	0.5
179.14363	1.0
195.13843	12.8
223.13466	1.0
253.09213	0.9
277.21732	16.5
278.21976	1.8
295.22784	100.0
296.23114	7.6
307.19067	0.9
321.03137	0.7
778.13715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.3
59.01254	21.7
61.98711	5.4
70.83334	11.8
71.01245	7.7
83.04932	4.2
87.00753	4.3
93.03430	3.7
96.95889	8.2
97.02852	12.6
97.06480	5.0
99.00761	11.8
101.02332	8.2
102.05536	5.4
112.09426	4.3
112.88997	4.0
113.02402	3.5
125.02332	4.2
125.09623	11.4
139.02135	4.0
147.68715	4.1
162.19540	4.6
163.11206	13.1
172.18739	3.9
173.86449	4.0
181.12259	23.5
185.11746	9.2
191.14380	5.0
197.11957	5.5
207.10222	55.0
209.11781	23.0
211.13455	7.5
225.11281	100.0
226.11717	5.6
243.12344	13.3
245.19106	10.8
253.09172	10.2
289.18063	50.8
290.18549	5.4
307.19193	40.8
400.75235	4.4
417.22900	4.8
461.20001	19.8
485.32501	4.2
653.32758	6.4
751.39703	19.5
751.52710	5.2
840.17401	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	809.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
58.75529	0.5
59.01239	1.9
60.17057	0.5
71.07399	1.6
75.00720	0.8
79.97202	0.5
113.09641	0.9
123.38908	0.6
147.48331	0.6
153.61290	0.6
171.10208	0.8
195.13853	12.3
196.14182	0.8
223.13354	1.7
251.23663	0.6
277.21722	15.1
278.22095	0.6
295.22781	100.0
296.23105	6.8
307.19028	1.0
339.45874	0.6
379.66806	0.6
407.01154	0.5
587.77191	0.6
591.00024	0.6
609.92749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09097	0.8
57.03343	1.3
59.01255	14.5
69.26047	10.2
71.01254	11.4
73.02812	1.7
80.96404	2.8
81.03356	0.9
82.95279	2.2
83.01269	1.5
84.35281	0.9
85.02824	2.1
87.00766	2.2
89.02319	8.1
97.02831	2.1
101.02337	10.7
113.02348	4.8
113.09617	2.2
119.03390	2.4
121.02689	0.9
125.02354	3.5
143.03435	1.7
146.83797	0.9
161.04460	3.1
162.63419	0.9
171.10191	43.3
172.10628	1.6
175.99713	0.9
179.05600	1.3
183.51669	1.0
195.13863	17.3
196.14212	1.4
209.11821	1.9
223.13416	4.6
224.13765	1.1
235.08243	3.6
245.65828	1.0
253.09265	26.1
253.50996	0.9
254.09570	1.5
255.23273	30.5
256.13095	1.1
256.23615	1.9
275.20105	3.5
277.21750	15.2
279.23239	1.8
293.21246	69.2
294.21555	4.9
295.22791	100.0
296.23105	9.8
314.07541	0.9
379.12488	5.4
397.13556	15.0
398.13583	2.0
415.14560	3.3
440.79117	1.0
462.08163	0.9
571.43616	3.1
807.41772	2.4
830.93909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
58.00465	1.3
59.01256	15.4
61.98703	0.5
67.25117	0.4
69.03329	1.4
71.01258	16.1
72.99185	1.4
73.02815	2.9
74.56734	0.4
80.96415	1.1
81.03345	0.7
83.01264	2.5
85.02833	4.7
87.00760	5.2
88.98662	0.5
89.02321	12.8
95.01288	1.0
97.02847	3.3
99.00780	1.2
101.02331	12.8
108.97681	0.4
111.04414	0.6
113.02345	6.8
115.03883	0.5
119.03376	3.9
125.02342	8.1
125.09630	1.2
127.11193	1.6
131.03377	0.4
133.04988	0.7
138.22188	0.4
138.23383	0.4
139.03915	0.4
143.03400	2.8
149.04517	0.6
153.09067	0.6
161.04498	3.6
167.03557	0.4
171.10190	100.0
172.10533	4.0
179.05492	3.6
195.13847	3.1
199.05981	0.9
213.11194	0.5
217.07169	1.2
221.06648	1.3
223.13347	0.9
225.00670	0.6
235.08211	7.2
245.06502	0.6
253.09299	5.7
255.23285	64.1
256.23587	4.9
259.08255	0.9
263.07687	0.6
269.24890	0.6
275.20248	0.7
277.21820	2.7
278.22037	0.4
287.07791	2.2
293.21228	10.7
294.14703	0.4
294.21503	1.2
295.22806	16.3
296.23093	0.8
297.24414	0.5
305.08875	2.1
319.35257	0.5
323.09811	0.6
338.57028	0.4
379.12460	11.8
380.12814	1.0
397.13510	41.9
398.13855	3.0
415.14569	7.7
416.14795	0.7
551.23523	0.8
569.24677	0.7
635.36127	0.6
653.37756	1.1
807.42950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79883	28.3
61.36494	26.9
63.27488	28.8
65.72388	28.5
71.58280	43.3
75.00752	35.6
82.39317	28.8
96.95919	61.6
124.42094	28.1
209.11737	33.9
211.13362	100.0
222.08746	36.3
225.84155	36.4
309.20801	59.7
378.94849	33.2
447.22699	35.4
610.90228	31.6
807.43414	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.0
59.01254	1.2
61.98689	0.3
71.01254	1.5
77.08774	0.3
78.98464	0.3
79.95595	0.9
80.96397	3.8
83.04862	0.3
85.02829	0.3
89.02296	0.6
91.38287	0.2
91.47570	0.2
94.97961	0.9
97.06469	1.1
99.08010	0.8
101.02304	0.6
107.08535	3.8
111.96299	0.2
113.02324	0.4
121.10141	2.2
123.08016	0.3
125.02361	0.4
125.09621	2.3
134.97446	0.2
139.11192	3.4
147.08023	0.3
148.40999	0.2
148.99019	0.3
151.97626	0.3
152.98543	0.4
155.14383	0.3
164.98552	0.6
181.12296	0.3
183.10165	0.6
185.11755	3.4
197.11769	0.8
199.13330	2.7
201.11253	0.5
211.13277	0.8
223.13193	0.6
225.00708	1.0
229.54791	0.3
247.13289	0.3
247.20634	0.8
253.09297	3.0
263.20175	3.1
273.18558	3.1
275.16525	0.4
277.21725	15.0
278.22067	1.2
289.18298	0.5
291.19656	100.0
292.20007	6.1
343.95248	0.3
383.72125	0.3
406.51575	0.3
805.40503	3.9
806.40912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.3
59.01249	2.8
59.79358	0.3
61.98713	1.7
71.01258	2.5
73.02834	0.5
79.95620	0.4
80.36204	0.3
80.96387	1.6
82.95982	0.3
85.02826	1.0
87.00758	0.6
89.02316	2.1
95.01272	0.3
99.12337	0.3
101.02336	2.3
111.08035	0.5
113.02339	1.1
161.04474	1.2
164.33910	0.3
167.10744	0.4
171.10179	0.7
179.05629	0.5
179.10646	0.3
179.14336	0.9
195.13878	7.4
196.14394	0.5
205.12283	0.7
205.15863	0.4
211.13321	0.5
223.13362	5.5
223.15404	0.6
224.13766	0.5
226.38690	0.3
228.13571	0.9
231.21146	0.4
235.08296	0.5
249.11087	1.4
253.09283	15.3
256.13165	0.9
275.20175	5.2
276.20276	0.4
277.21750	0.5
293.21240	100.0
294.21561	6.1
309.20657	0.4
393.54175	0.4
492.22021	0.4
529.30121	0.5
569.42126	1.5
792.00409	0.4
805.42004	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	805.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.1
58.92265	0.2
59.01249	0.8
61.98701	1.4
69.03331	0.4
70.10124	1.1
70.26965	0.2
71.01257	0.6
78.98502	0.2
79.95616	0.6
80.96386	3.0
83.04896	0.4
85.02823	0.3
87.83611	0.2
91.29662	0.2
93.06991	0.8
94.97951	0.5
95.04918	0.4
96.95901	0.2
97.06470	1.3
101.02335	0.4
121.02868	0.5
121.10121	8.9
121.59618	0.2
122.10459	0.2
123.08038	0.9
125.02402	0.4
125.09612	5.2
139.11200	0.3
141.12810	1.1
147.08034	0.5
148.99094	0.3
163.11172	0.3
164.98563	0.4
165.12772	0.3
171.10149	0.6
183.10162	0.2
185.11758	11.9
186.12045	0.5
197.11772	3.1
209.11742	1.5
211.13283	1.6
223.13373	0.9
225.00681	0.9
229.19489	0.3
247.13464	0.5
247.20639	1.2
253.09244	0.8
263.20044	0.4
273.18631	1.0
277.21735	5.7
278.22021	0.6
289.18103	0.4
291.19662	100.0
292.19989	7.9
443.79456	0.2
805.40198	2.5
806.40900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.2
59.01252	9.7
59.02502	0.7
61.98692	2.7
69.03342	1.0
71.01254	9.7
71.59245	0.9
72.99200	1.0
73.02834	1.7
82.60770	0.7
83.01244	1.2
85.02815	2.9
87.00755	2.9
88.46397	0.8
89.02314	7.2
96.95892	8.3
97.02823	2.5
101.02316	6.7
109.02839	1.1
113.02325	3.4
119.03378	2.3
125.02336	5.1
155.10738	1.0
161.02217	0.7
161.04465	3.0
171.10179	1.2
179.05484	2.2
183.13812	8.0
186.02686	0.8
191.05586	0.8
193.12193	2.6
197.11734	1.6
207.10298	1.3
209.11751	1.5
211.13341	100.0
212.13628	5.3
221.06592	0.9
225.11241	1.2
229.26448	0.8
235.08217	2.6
246.70891	0.9
253.09216	1.7
305.08585	1.1
379.12350	3.5
397.13513	21.7
415.14709	3.7
591.26501	2.5
609.27557	3.4
711.57068	0.8
785.39081	1.2
803.42651	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	805.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.0
59.65237	0.9
67.01752	0.9
71.01254	1.6
91.46290	0.8
93.03325	0.9
95.01260	0.9
96.95889	0.9
109.02811	4.7
121.02860	2.0
123.00771	2.5
123.04449	0.9
125.02356	2.3
135.04446	1.6
136.01535	1.8
137.02345	27.5
138.02850	1.2
139.03857	1.5
149.02382	2.1
150.03136	2.6
151.00262	12.5
151.03920	4.9
152.01021	2.4
152.04707	3.1
159.04491	1.0
161.02351	1.4
162.03143	1.5
163.03937	1.2
164.01085	2.2
164.04736	1.7
165.01843	100.0
165.05472	6.1
166.02626	37.1
167.03316	3.5
175.03937	2.9
177.01837	1.8
177.05438	1.4
178.02707	1.0
179.03423	23.0
179.06987	0.9
180.04204	62.6
181.04982	38.5
182.05325	2.1
184.03822	0.8
187.03900	2.6
190.06320	1.7
191.03476	1.3
192.04195	1.3
193.05026	2.8
194.05734	4.6
195.02892	4.5
195.06558	80.5
196.06932	2.8
205.04958	6.0
205.08527	0.8
207.06549	1.8
210.05278	13.4
219.06590	1.6
220.07370	4.3
220.60640	0.8
225.07640	63.3
226.08005	2.3
235.09729	0.8
255.06577	1.0
341.06635	0.8
345.10028	1.1
359.11502	2.3
371.11444	1.2
386.13849	1.5
387.10229	7.3
387.15213	6.1
388.10910	1.1
401.30963	0.8
402.13068	4.1
403.14056	1.9
416.14618	2.9
417.15521	54.1
418.15991	4.9
428.76923	0.8
446.31647	0.8
550.18488	0.9
565.17627	2.6
580.19159	1.5
584.33459	0.9
595.21851	55.3
596.21851	6.6
599.25061	1.2
613.23303	1.1
625.22943	1.3
643.23950	19.0
644.24335	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	803.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40199	0.2
57.03327	0.6
58.00470	0.5
59.01250	10.5
61.98695	1.0
69.03316	0.7
71.01254	9.8
71.58412	0.5
72.99176	0.6
73.02815	1.7
81.03328	0.5
83.01252	0.9
83.04897	0.4
84.46103	0.2
85.02816	2.1
87.00761	2.3
89.01752	0.4
89.02311	8.3
91.03873	0.3
95.01256	0.8
96.95889	3.0
97.02835	1.1
99.00719	0.6
101.02321	7.0
104.29908	0.2
111.04398	0.3
111.10809	0.2
112.34554	0.2
113.02328	4.0
115.33733	0.3
119.03387	2.6
125.02326	3.8
131.03389	0.3
137.02275	0.3
137.09587	0.3
139.03905	0.4
143.03391	1.4
149.02299	0.3
161.04474	2.3
162.19061	0.3
163.03995	0.3
163.11259	0.5
165.12741	0.2
167.14311	0.9
171.10159	0.7
173.06036	0.2
179.03484	0.2
179.03966	0.3
179.05566	2.3
181.12311	0.4
183.13837	7.2
184.14172	0.3
193.12305	1.9
199.06064	0.3
207.10284	0.4
209.11803	0.8
211.13336	100.0
211.94241	0.2
212.11841	0.5
212.13687	4.5
221.06615	0.5
225.11404	0.6
231.52559	0.2
235.08191	2.4
253.09254	1.0
275.36356	0.3
287.07660	0.8
305.08813	0.7
323.09940	0.8
341.23276	0.3
343.24774	0.3
379.12436	3.7
397.13474	20.3
398.13739	1.2
405.26407	0.4
415.14566	4.7
415.19791	0.6
429.21469	0.3
591.26520	2.6
599.34314	0.3
609.27563	3.8
610.27917	0.9
785.39935	0.9
803.44012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.7
59.01256	31.5
61.98708	5.2
69.62252	19.0
71.01256	100.0
72.99199	3.1
73.02807	6.0
81.03339	4.5
83.01265	3.7
83.04879	3.9
85.02827	7.9
87.00759	8.3
89.02324	24.7
89.24564	2.6
96.95902	6.3
97.02849	9.3
98.19754	4.9
99.00747	4.0
101.02329	20.1
109.06492	25.9
109.18317	2.7
113.02312	9.2
119.03416	8.6
121.02856	3.1
121.06528	4.0
125.02338	12.1
135.08064	4.1
136.05254	3.1
137.02303	2.4
141.01823	3.0
143.03413	3.9
163.11188	13.9
171.10164	10.3
179.05548	3.8
181.12184	4.9
197.11763	3.8
199.09631	2.8
201.11232	8.9
207.10211	65.2
209.11784	10.7
211.13385	7.4
225.11290	57.1
225.12932	1.5
226.11531	4.3
235.08223	4.9
289.07175	5.8
397.13437	18.3
415.14606	18.9
531.29865	2.7
623.25659	31.4
624.26190	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	801.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	7.6
58.00450	2.2
59.01252	67.4
60.74694	1.8
61.98697	5.3
65.03831	2.7
69.03316	6.4
71.01256	60.0
71.16963	4.5
72.99180	8.1
73.02808	9.1
75.00750	3.9
78.78958	1.7
81.03330	4.1
83.01263	6.3
83.04884	9.6
85.02828	13.5
85.06460	3.2
87.00746	18.1
88.98668	3.0
89.02313	45.5
93.03368	2.4
94.71951	1.9
95.01263	3.8
96.95893	12.8
97.02825	8.8
97.06488	5.7
99.00734	5.1
101.02325	37.4
102.10983	1.7
109.02827	3.9
109.06451	4.1
111.04439	2.3
111.08035	8.1
113.02329	20.4
113.04465	1.9
119.03377	6.6
119.04897	4.4
121.02862	3.0
123.04350	2.4
125.02334	14.3
125.09617	14.7
125.11100	1.8
126.61053	1.8
127.11150	2.3
135.04471	2.4
137.02345	5.6
137.09605	3.3
141.01768	3.8
143.03412	5.5
151.03935	2.9
151.11275	2.0
161.04465	7.2
171.08759	3.3
171.10182	56.0
172.10544	2.6
179.05547	11.7
180.79228	2.6
185.11754	2.6
196.70900	2.0
205.15894	6.8
209.11754	15.2
211.13307	18.0
215.14334	10.4
221.06596	7.6
221.15358	4.0
231.13889	7.1
233.15419	55.4
234.15756	3.6
235.08179	6.0
249.14906	28.5
257.17676	3.0
289.07220	3.7
331.26569	4.6
339.23309	2.6
341.24829	7.6
367.22745	4.0
375.25430	5.4
379.12527	3.5
385.23764	22.5
386.24081	3.3
393.26535	3.0
397.13525	27.4
398.13638	2.3
403.24902	49.8
404.25177	4.2
415.14658	5.0
421.25986	27.7
492.05350	2.2
493.80872	2.3
629.28198	3.1
647.28986	2.4
773.40155	5.1
783.38104	100.0
784.38306	16.1
801.39203	82.7
802.40234	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	799.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.27478	3.4
65.29598	3.3
71.01258	46.2
71.57714	6.8
73.02822	38.9
83.01261	13.8
85.02839	8.3
85.46196	3.6
87.00776	9.0
89.02313	14.7
90.53282	3.2
93.03327	10.1
100.58467	3.7
101.02326	49.5
109.02846	7.4
113.02306	17.6
119.03368	6.4
121.02831	11.7
125.02326	9.8
131.03392	3.7
135.04446	4.1
137.02327	5.2
143.03452	8.2
144.89850	4.1
145.08620	5.1
149.04471	12.9
151.71666	3.5
161.04469	25.8
163.03928	12.4
179.05475	3.4
181.04982	6.2
191.05449	6.0
193.04890	3.7
207.65143	4.3
221.06618	13.3
257.07983	4.4
387.20276	14.1
389.61060	3.8
405.21365	5.4
447.22397	43.5
455.48599	3.5
456.48563	4.0
593.18530	25.8
594.18427	3.8
799.29944	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	799.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.6
59.01250	22.3
60.20387	0.5
67.39735	0.5
69.88304	2.3
71.01260	3.2
73.02804	0.9
78.35418	0.5
79.95612	1.3
80.96385	5.5
83.01249	0.5
87.00737	0.6
89.02325	1.8
94.97949	1.1
96.91115	0.5
97.23910	0.5
98.20525	0.5
101.02319	3.3
113.02331	2.4
115.86974	0.5
125.02372	0.6
134.97517	0.6
145.05009	0.6
161.04492	1.1
164.98523	1.1
183.13809	5.7
192.91902	0.5
193.12225	1.8
211.13329	100.0
212.13623	5.1
225.00650	1.5
235.08145	4.5
236.08873	0.5
253.09254	8.9
265.76804	0.5
277.21707	99.7
278.22031	7.5
318.55557	0.6
429.21194	1.2
447.22278	5.5
513.30426	1.9
541.80615	0.6
629.66852	0.5
709.38257	3.1
710.38666	0.9
799.43329	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	799.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	48.4
61.98688	2.3
63.54093	2.2
69.03313	2.8
71.01257	100.0
71.01655	5.6
73.02831	8.1
75.00726	2.6
81.03319	6.2
83.01231	3.7
85.02834	7.2
87.00767	7.5
89.02326	27.9
96.95911	10.1
97.02836	11.1
99.00750	4.8
101.02324	22.9
109.06483	25.8
113.02319	13.4
119.03387	7.8
123.04441	3.3
125.02348	11.8
125.09637	5.1
134.21199	2.7
135.08000	4.0
142.02620	3.9
150.15706	2.2
151.03976	3.0
154.98363	2.6
156.24745	2.4
163.11212	15.8
171.10179	11.0
179.05545	4.2
181.12299	5.6
185.11769	4.1
195.13834	2.4
197.28412	2.8
199.09695	3.3
201.11354	6.3
207.10202	72.4
207.12181	3.8
208.10574	3.2
209.11784	11.8
221.06534	4.6
225.11272	50.1
226.11755	2.7
229.63734	2.8
231.13985	3.5
235.08241	5.2
243.12379	7.0
253.09135	3.4
289.07269	4.5
309.20807	2.6
346.91824	2.8
383.22449	4.7
397.13525	26.0
401.23291	5.1
415.14584	20.2
416.64151	2.8
623.25513	37.8
624.26196	11.3
781.36554	19.5
799.37115	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	797.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74128	3.4
59.01255	25.9
69.49545	31.4
71.01253	15.9
73.02795	4.3
78.19865	3.4
78.43813	4.4
83.01249	4.2
84.18501	3.9
84.35658	4.3
85.02831	8.3
89.02303	4.6
92.34024	4.0
93.54350	4.1
96.95869	6.4
97.05844	3.6
99.00751	16.8
100.80939	3.5
101.02302	7.9
113.02316	12.9
125.02278	4.7
134.62837	3.6
135.04431	4.4
137.02338	14.4
151.00288	24.7
151.03981	4.2
152.44267	3.7
165.01884	5.4
166.02623	75.1
166.66762	3.5
167.03314	4.6
177.01768	6.5
179.06981	4.4
181.04979	100.0
182.05232	4.0
191.03397	4.6
191.05579	5.2
193.04860	4.4
205.05148	5.7
205.08664	9.3
221.07988	7.2
235.09642	5.9
338.12912	3.5
369.09845	4.7
384.12253	5.8
387.10645	11.9
387.14850	9.3
399.14490	24.0
400.14682	4.0
402.13229	12.3
403.13821	7.0
417.15549	89.5
418.15897	6.1
468.50546	4.1
635.22961	5.9
663.74207	4.0
693.23724	6.0
711.25146	17.2
723.24408	4.6
735.25659	6.6
753.25922	30.7
754.26636	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	797.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.2
71.01252	3.3
71.22368	0.5
71.22720	1.2
72.99178	1.4
73.02812	1.0
74.15277	0.4
79.61627	0.4
83.01231	0.6
85.02809	1.5
88.98639	0.5
89.02309	1.5
91.05401	0.6
92.67986	0.5
93.03323	1.0
96.95862	1.1
99.00762	1.2
99.14842	0.5
101.02306	1.7
103.95958	0.5
109.02770	0.5
113.02330	1.4
119.01270	0.8
119.04878	1.2
121.02843	9.3
125.02304	1.1
132.02092	1.1
135.04446	1.1
137.02313	0.9
147.04385	3.1
149.02344	55.6
150.02666	2.3
151.03893	0.8
161.04478	0.5
163.03914	1.1
164.04701	45.6
165.05125	1.9
172.05171	1.0
173.05966	1.4
175.00294	3.1
179.03351	0.5
179.07056	5.2
190.02652	7.2
195.06593	0.6
199.07520	0.6
205.04999	8.4
208.03685	1.9
223.06065	100.0
224.06450	4.2
280.52737	0.5
487.25729	1.4
753.32971	3.7
754.33429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	14.4
68.20338	1.3
68.41084	1.3
71.01261	9.8
71.11722	2.4
71.12056	1.4
72.99181	2.7
73.02817	3.7
81.03320	1.4
85.02829	4.2
88.20267	1.4
89.02334	4.8
90.53996	1.6
90.66402	1.4
93.03318	1.5
96.95887	4.4
99.00750	5.1
101.02317	5.7
108.02057	1.5
109.02845	3.1
112.19511	1.3
113.02343	5.6
116.28569	1.2
121.02838	4.7
122.03609	6.0
123.04431	19.3
125.02328	2.8
128.42799	1.3
133.02818	2.0
133.40935	1.5
135.04390	4.4
137.02335	10.9
149.02350	21.3
150.03152	18.0
151.03929	50.3
152.04759	12.2
161.02258	2.0
164.04739	14.1
165.05432	2.1
167.07097	7.0
175.00262	4.2
176.01064	1.6
178.02644	57.3
179.03258	6.0
179.07054	1.8
190.02672	12.4
191.03413	6.0
191.05539	2.7
193.05009	100.0
194.05383	4.4
195.02965	6.7
195.06647	1.6
196.03735	14.4
205.05081	8.2
205.06764	1.5
208.03755	2.2
209.04491	6.3
210.05124	2.4
211.06091	3.6
223.06088	16.1
227.13069	1.4
276.43802	1.4
415.12793	1.5
426.81351	1.4
487.14597	7.5
488.15027	1.9
529.15625	28.9
530.16357	3.1
539.80945	1.4
547.16742	63.8
548.16986	7.6
549.29468	7.6
753.22223	13.9
754.23083	3.6
755.44293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01252	100.0
61.98701	0.5
68.30682	0.5
71.01247	2.8
87.00748	0.7
89.02334	1.5
96.71812	0.4
96.99160	0.5
97.02849	0.7
101.02368	1.7
109.02891	0.6
113.02364	1.2
116.92764	2.0
119.03365	0.6
125.02374	1.5
141.01604	59.8
142.01947	1.3
162.14526	0.5
184.06847	0.5
229.41257	0.4
230.39993	0.7
230.42076	0.5
235.08264	0.7
255.23280	5.7
256.23633	0.6
337.23618	5.0
397.13504	9.0
398.13773	0.9
415.14508	1.1
419.11884	2.3
437.12930	3.1
492.45767	0.5
653.38123	0.9
675.35779	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	795.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81614	0.1
56.97659	0.1
59.01245	0.3
61.98700	0.7
63.76100	0.1
71.01270	0.3
71.59093	0.2
73.02820	5.5
75.00742	1.0
88.31199	0.2
89.02325	0.2
92.92792	0.2
99.00755	2.5
99.92460	10.1
100.92464	0.4
114.93290	0.4
115.00259	0.2
115.03915	0.2
116.03430	0.4
116.92748	100.0
116.97078	0.8
117.01823	9.4
117.05475	0.6
117.92754	4.5
128.55391	0.1
134.78296	0.1
140.77063	0.2
279.23074	0.2
325.24808	0.1
336.37845	0.2
397.13495	0.3
469.34869	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01593	1.0
61.98713	0.9
69.03336	0.7
69.66183	0.6
71.01259	2.5
73.02834	0.7
85.02820	1.4
87.00801	0.9
89.02339	2.0
97.02834	1.5
98.12328	0.6
101.02343	1.9
104.20679	0.6
105.66468	0.5
113.02332	1.1
114.09865	0.7
125.02383	0.8
141.01598	61.9
142.01988	1.1
143.03471	0.7
171.10184	2.3
191.05493	3.4
207.10519	0.6
213.19104	0.6
225.11322	1.3
243.04860	0.7
255.23241	6.0
277.21768	3.9
278.22040	0.6
337.23682	5.1
397.13474	12.1
397.18475	0.8
415.14514	3.3
419.11816	2.3
437.12836	3.9
472.91473	0.6
496.97385	0.6
521.78424	0.6
545.15106	0.6
653.38342	1.8
675.36255	2.0
676.36066	0.8
795.43073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.9
58.00473	0.5
59.01253	100.0
60.01579	0.8
71.01256	9.6
71.58150	0.6
72.99216	0.5
73.02821	3.9
83.01282	1.9
85.02830	4.9
89.02335	1.6
94.28938	0.4
95.01283	0.8
95.19517	0.4
96.95927	0.7
97.02861	0.7
99.00795	1.4
101.02321	7.0
109.02907	0.5
113.02326	4.7
125.06014	0.6
138.06815	0.4
139.07579	1.0
143.41530	0.4
151.03986	0.5
151.07565	2.4
152.08392	1.1
153.09204	0.7
159.02966	0.9
161.04478	4.5
163.07567	0.5
201.12772	1.9
204.11519	1.3
219.13803	2.5
243.13843	0.7
245.12004	0.7
263.12897	11.0
264.13229	0.5
272.49969	0.4
283.11853	10.3
284.12369	0.7
287.13074	0.9
319.30011	0.4
325.12936	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	795.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61114	0.2
59.01237	0.7
61.44175	0.2
61.98692	0.3
63.09191	0.2
66.09795	0.2
71.59222	0.3
73.02821	2.8
75.00769	0.5
87.34724	0.2
99.00748	1.0
99.92464	10.7
100.92482	0.4
112.92013	0.2
113.81981	0.2
114.93301	0.6
116.92746	100.0
116.97132	7.3
117.01823	5.0
117.05450	0.5
117.92750	4.4
125.02345	0.6
139.81131	0.2
159.61446	0.2
162.76968	0.2
184.95868	0.2
209.11787	0.2
245.69862	0.2
279.23328	0.6
337.19083	0.7
473.10779	0.2
508.71722	0.2
626.17651	0.3
814.86224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	14.6
60.43032	2.9
64.58923	3.3
71.01254	13.1
83.48685	3.3
96.95874	11.1
108.96309	3.2
120.22269	3.1
122.89904	3.0
124.61584	3.0
125.35431	2.9
148.68752	3.6
171.10129	17.9
194.85136	3.5
199.09639	14.1
201.11259	16.1
207.10115	6.7
225.11290	17.3
229.65607	3.6
235.08191	9.9
253.09233	7.9
277.21698	100.0
278.22073	9.4
291.19620	7.0
309.17361	14.1
315.36780	3.2
400.01047	3.4
419.46906	3.2
427.28885	3.8
453.93918	3.5
461.20090	5.1
695.38989	4.8
721.42926	6.6
735.64520	4.0
739.42896	4.9
757.43652	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	793.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	14.5
69.87785	7.8
71.01259	25.1
73.02814	3.6
89.02301	3.5
99.00752	3.2
101.02326	5.0
105.66034	1.4
109.06469	2.6
111.04386	1.8
113.02305	1.9
125.09592	3.0
127.11176	2.4
137.09627	1.9
145.04956	1.8
154.69647	1.4
155.10747	1.9
161.04494	1.8
163.11189	4.6
171.10164	23.5
179.05600	2.0
181.08594	1.8
181.12276	2.6
199.09711	24.1
199.13281	4.6
201.09569	2.1
201.11301	32.2
202.11620	1.7
207.10193	16.8
225.11308	21.1
235.08159	8.5
241.96223	1.4
243.12367	3.0
253.09276	13.8
277.21744	100.0
278.22202	6.8
297.84967	1.9
435.18701	5.6
443.19168	2.1
461.20459	7.4
695.40204	5.7
721.41559	6.3
739.42273	4.7
757.43958	6.7
758.44055	1.6
793.42065	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	793.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.2
59.01241	0.7
61.98710	0.4
62.72325	0.1
67.34384	0.1
70.15466	0.8
71.01254	0.3
73.02821	5.5
75.00748	1.3
80.96383	0.2
87.00747	0.7
89.02306	0.3
99.00759	2.9
99.92461	9.9
100.92485	0.4
104.85987	0.1
114.93290	0.6
115.00247	0.3
115.99761	0.2
116.03410	0.5
116.92747	100.0
116.97109	1.6
117.01821	9.6
117.05471	0.5
117.92763	3.6
125.02357	0.3
135.58308	0.1
189.13542	0.2
227.12956	0.2
277.21582	0.3
303.37695	0.2
397.13513	0.5
455.05020	0.3
689.34521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.2
58.53500	0.2
59.01248	0.9
61.58293	0.2
61.98716	0.2
69.63057	1.3
71.01247	0.5
73.02823	7.6
75.00750	1.9
83.58970	0.1
87.00751	0.3
89.02303	0.4
98.19764	0.2
99.00762	2.9
99.92463	10.4
100.92476	0.5
101.02352	0.3
105.98898	0.2
114.93330	0.6
115.00269	0.4
115.03885	0.3
116.03420	0.7
116.07076	0.1
116.92751	100.0
116.97152	0.6
117.01826	12.8
117.05436	0.8
117.92753	4.0
143.78772	0.2
195.10451	0.2
277.21802	0.4
286.87027	0.2
394.06723	0.2
397.08868	0.2
397.13651	0.5
455.04889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62189	17.6
71.58414	30.7
80.96394	66.3
83.07539	16.2
88.50567	17.7
88.51144	16.8
209.11803	100.0
277.21738	66.9
293.79810	20.7
331.11731	19.9
691.57141	23.7
729.06018	20.2
791.41370	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	791.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.7
60.03453	0.8
68.74651	0.7
71.01260	4.5
71.48320	0.7
71.58152	1.3
78.14741	0.8
83.01264	0.9
85.02830	2.3
87.00761	0.9
89.02324	2.0
93.03342	4.4
95.01278	1.4
96.95892	2.4
97.84948	0.8
98.42873	0.8
101.02334	2.1
104.84862	0.7
108.02004	2.0
109.02822	1.5
113.02319	2.6
119.04918	100.0
119.80034	0.8
120.05260	3.5
121.02843	3.4
122.03616	1.1
125.02306	2.1
134.03674	1.0
135.04362	1.4
136.01578	4.0
137.02342	3.6
146.03734	1.1
148.01520	1.2
149.02351	4.2
150.03162	6.8
151.00237	1.7
151.03889	4.9
153.05528	1.1
161.02309	1.0
161.05998	2.3
162.03128	2.0
163.03857	1.6
165.01888	3.8
165.05447	4.1
166.02652	4.4
166.05923	0.9
168.44244	0.8
175.03885	1.8
176.01184	1.0
176.08398	4.2
178.02460	0.9
179.03438	2.2
179.07036	4.1
180.04243	1.4
181.04959	3.5
182.31744	0.8
193.05066	1.4
195.06575	3.1
203.07178	1.1
204.07867	14.8
205.05022	1.6
205.08600	6.4
208.07327	1.0
216.90131	1.0
217.08635	8.1
218.09299	1.3
219.10208	85.4
220.10512	4.5
231.10066	1.1
233.11877	1.0
245.11853	1.2
289.07040	1.2
322.11798	1.0
323.12860	3.6
324.13309	1.7
338.15213	0.9
339.15988	59.9
340.16296	5.4
357.09540	1.2
357.13586	1.4
387.14615	5.5
403.13828	6.7
483.20352	8.3
501.21381	3.9
525.21179	4.9
526.21851	1.1
543.14587	1.6
543.22394	21.5
544.22974	1.9
585.23389	3.7
595.22015	1.5
611.18579	1.6
631.05908	1.0
693.45508	0.9
791.26532	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	789.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41169	2.6
59.01263	16.9
61.98698	3.8
69.61128	7.3
69.61546	14.3
71.01257	100.0
73.02815	5.1
79.95628	2.7
83.04884	3.1
84.46837	2.6
87.00755	6.7
89.02295	7.1
96.95895	80.4
97.02891	3.7
99.00772	3.7
101.02344	8.4
111.08071	4.2
113.02323	5.7
116.92720	5.1
121.02821	4.6
125.09588	5.5
163.11211	3.3
165.82933	2.6
169.12326	3.2
171.10197	70.6
193.12227	4.7
197.11795	40.3
199.09645	5.9
199.13414	4.0
201.11259	24.0
207.10236	11.9
209.11823	35.0
211.13335	11.4
215.12961	4.1
225.11308	16.2
226.73082	3.1
227.12823	6.9
235.08244	5.7
253.09349	25.5
268.13498	2.9
291.19604	15.0
309.20749	41.1
310.21188	3.4
327.21625	3.9
343.24750	14.9
424.06543	3.6
440.04449	2.9
447.13373	3.1
515.82135	2.9
789.42645	11.8
791.61249	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	789.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.9
57.03325	1.5
59.01254	50.5
61.98742	0.9
68.74315	0.9
69.64472	7.1
71.01259	32.5
72.01591	1.3
72.99187	3.6
73.02821	19.0
81.03335	2.1
83.01274	7.8
85.02822	11.5
87.00764	2.8
89.02319	10.5
91.20319	0.9
93.03352	5.6
95.01279	3.2
96.95876	2.3
97.02857	2.2
99.00774	2.7
101.02325	20.2
109.02847	3.5
113.02329	16.8
119.03421	3.6
121.02846	12.3
122.03634	18.6
123.04397	3.3
125.02350	3.7
131.03403	1.7
132.02098	1.9
133.02840	2.9
134.03616	7.1
135.04408	4.3
136.01576	2.4
137.02344	5.1
143.03415	3.9
145.02858	1.2
147.04396	2.8
149.02356	31.8
149.04503	2.7
149.05923	5.2
150.03137	100.0
151.00366	1.0
151.03790	5.7
152.04776	1.3
158.03638	1.2
159.04410	1.2
161.02374	2.1
161.04500	5.2
161.05824	1.4
162.03136	2.7
163.03893	2.9
163.20384	1.0
164.04698	8.5
165.05489	82.7
166.02762	1.1
166.05844	4.4
173.05981	1.5
175.03989	4.8
176.04689	2.3
177.01836	1.6
177.05501	4.1
179.03372	5.5
179.05676	1.7
179.07121	2.0
180.04202	6.1
181.04973	2.5
187.03929	2.3
187.07675	1.1
188.04730	1.6
189.05482	1.7
190.06313	3.5
191.05518	1.4
191.07072	2.1
193.05037	2.5
194.05818	3.8
195.04785	2.2
195.06575	44.8
196.06851	4.0
203.07143	1.4
205.04944	2.5
205.08658	1.7
207.06520	1.7
209.08208	5.7
217.10851	1.2
219.06607	1.7
220.07428	3.2
235.09769	2.1
270.89725	1.2
283.09787	1.2
310.08072	1.2
311.09271	2.7
326.11560	2.7
341.10083	1.4
341.13797	1.8
345.13370	1.4
355.11853	1.1
357.13480	1.7
359.14987	6.7
369.13391	1.3
370.13855	2.1
371.14975	16.4
372.15671	1.3
507.20377	2.6
519.19824	2.1
533.20300	9.7
537.21393	8.2
538.21667	1.6
585.23645	2.4
593.22412	1.5
609.18787	1.1
627.24384	1.1
637.23413	1.2
681.25586	43.8
682.25952	8.6
699.26538	15.3
700.26965	2.4
729.26721	5.8
741.26959	6.4
745.40125	1.5
747.29132	5.3
789.27924	6.4
790.29828	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	789.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03310	2.4
58.00446	0.7
59.01250	45.5
60.01572	1.2
69.03329	1.8
69.53783	7.0
71.01253	31.3
72.99171	2.0
73.02821	18.3
74.03163	1.0
75.00740	1.0
83.01258	7.2
85.02821	12.7
87.00753	3.5
89.02308	7.9
93.03346	5.3
95.01252	2.6
96.95884	2.6
97.02794	1.6
99.00742	2.3
101.01699	1.4
101.02321	20.4
102.02644	1.4
108.02029	2.2
109.02826	2.9
113.02327	15.9
119.03354	4.3
119.04893	0.8
121.02839	12.1
122.03633	16.4
123.04386	2.8
124.01565	0.8
125.02339	3.9
131.03419	2.1
132.02020	1.9
133.02858	5.5
134.03656	5.8
134.04471	1.0
135.04439	5.1
136.01518	2.2
137.02377	4.1
139.03891	1.2
143.03362	2.6
145.02893	2.0
147.04424	2.6
149.02348	32.1
149.04410	3.0
149.05978	4.3
150.03127	100.0
151.03653	6.0
152.01021	1.1
152.04654	1.7
153.01767	1.1
153.05406	1.2
159.04410	1.8
161.02333	1.6
161.04492	5.3
161.05714	1.1
162.03094	4.5
163.03857	3.4
164.04701	6.7
165.05478	85.2
166.02623	2.0
166.05814	3.8
167.03380	1.3
173.05948	1.6
174.06712	1.0
175.03932	4.6
176.04671	2.1
177.05505	3.5
179.03442	4.5
179.05624	2.1
179.07043	1.4
180.04213	7.8
181.04903	2.3
187.04001	1.9
188.04787	1.0
190.06230	3.1
191.05499	1.2
191.07133	2.0
192.04303	1.0
193.04984	2.2
194.05807	4.5
195.06555	45.0
196.06885	2.6
202.06293	1.8
203.07104	1.0
205.04939	1.7
205.08557	2.5
207.06555	2.2
208.07169	1.2
209.08147	3.4
217.10684	1.0
219.06627	1.9
220.07367	2.4
235.09764	1.8
291.20911	0.9
311.09363	4.3
319.13623	1.1
326.11530	2.3
339.12192	0.9
341.13809	2.7
345.13519	0.9
349.54913	0.9
355.11761	1.1
356.12711	1.7
358.13913	1.3
359.15030	8.2
369.13229	1.1
370.13828	1.8
371.15009	14.1
372.15048	1.0
374.13663	1.3
507.20056	2.4
519.19904	1.8
533.20355	9.2
537.21149	8.1
585.23322	3.0
593.22620	1.0
681.25482	39.5
682.25970	7.1
699.26501	11.8
700.26532	1.9
729.27478	6.8
741.27502	7.2
747.28448	4.1
789.28369	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	787.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48025	3.9
57.03312	4.8
59.01255	26.7
61.98690	10.7
71.01260	66.9
71.18954	3.9
71.59213	6.8
83.01250	4.7
83.04904	5.7
85.02837	7.0
87.00734	8.0
89.02302	12.2
96.95877	12.8
97.02833	7.5
101.02322	10.0
111.07988	4.9
113.02325	8.9
127.11188	5.0
151.11147	4.4
161.04436	6.9
163.11221	6.2
165.12735	4.6
169.12256	100.0
170.12560	5.7
171.10182	67.6
172.10587	4.3
185.11763	5.5
193.04988	4.2
197.11809	24.2
199.09671	5.7
199.13399	4.7
200.15102	4.0
201.11264	15.1
207.10146	8.6
209.11780	64.6
211.13402	8.9
213.11256	4.1
225.11177	10.6
227.12871	19.0
235.08046	18.9
245.19095	5.1
247.34491	4.2
253.09251	41.4
259.15479	4.9
289.18085	13.8
291.19620	37.6
307.19110	9.4
309.17233	7.1
309.20724	99.1
341.23407	4.7
372.01965	3.7
405.21054	11.5
527.28461	7.2
545.29865	6.3
605.08887	4.3
730.55933	4.3
741.40448	13.0
759.42279	7.1
787.41199	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	787.449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59821	3.2
57.03320	5.6
59.01252	23.7
61.98708	5.9
71.01260	67.7
71.58314	6.5
83.04926	7.6
86.63093	3.3
87.00764	9.9
89.02318	9.8
96.95905	12.8
97.02824	4.2
101.02322	11.4
109.06445	4.1
111.08076	4.0
113.02345	5.4
143.77742	3.8
161.04546	5.1
165.12744	4.3
169.12274	82.0
170.12610	3.8
171.10205	43.8
171.68106	3.3
185.11766	4.5
197.11771	37.0
199.09726	5.9
199.13359	8.0
201.11253	15.3
207.10207	10.1
209.11777	100.0
210.12077	5.8
211.13365	7.9
213.11317	3.9
225.11311	11.6
227.12822	13.1
235.08209	25.2
253.09280	31.2
260.18475	3.7
289.17999	6.7
291.19724	24.4
297.39313	3.7
307.19226	14.0
309.20703	64.6
310.21271	6.5
341.23279	4.7
346.93488	3.4
400.18570	3.7
405.21280	6.7
601.81372	4.2
759.41779	4.4
787.41711	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	787.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	4.4
57.03318	7.8
59.01253	100.0
64.99140	3.2
71.01260	32.0
71.59190	5.0
72.99162	3.9
73.02814	16.4
80.96421	4.2
83.01266	5.8
85.02818	12.1
87.00736	4.8
89.02325	16.9
93.03323	3.6
95.01295	3.6
96.95896	18.5
99.00760	6.3
101.02327	21.8
109.02814	6.1
111.66117	3.0
113.02348	17.8
119.03390	6.3
123.00810	3.2
125.02337	10.4
133.02771	4.6
135.04427	5.2
137.02374	10.9
149.02367	9.7
150.03131	24.4
151.03914	8.4
152.04700	5.7
161.02419	4.7
161.04512	6.6
161.09645	3.5
161.13301	3.4
162.03180	5.9
163.07634	4.2
165.05486	22.8
177.05542	6.2
179.03418	3.8
181.04961	4.8
187.11179	5.0
191.41519	3.1
193.05057	4.7
195.06589	26.0
196.03815	6.5
205.12346	5.4
207.10172	3.6
223.06122	4.2
223.13324	13.1
243.15895	12.7
249.11279	6.4
250.00175	3.0
255.03177	4.6
267.12305	7.1
387.14465	5.5
402.13257	5.0
457.01886	3.9
482.29727	3.4
537.18536	4.7
537.25385	25.6
571.68884	3.7
616.74048	3.5
787.37524	84.5
788.37787	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	787.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	3.5
59.01243	23.5
59.26542	3.0
61.98688	8.1
69.19557	2.8
71.01255	52.5
73.02826	3.3
75.00732	3.1
76.47794	3.5
78.95781	3.3
83.04877	3.3
85.02835	2.9
87.00718	7.4
88.81042	3.5
89.02314	8.1
96.95889	13.3
101.02332	7.7
109.06473	4.1
111.07977	4.3
123.04399	3.5
125.09592	4.8
133.02534	2.8
134.03609	3.6
135.33775	3.0
137.09625	4.4
144.06378	3.1
161.04524	3.5
163.11151	5.9
169.12262	100.0
170.12614	4.5
171.10181	63.7
172.60303	3.9
179.05544	3.9
183.13889	4.3
193.04790	3.2
197.11768	22.0
199.09641	7.5
199.13391	7.4
201.11267	13.7
207.10202	10.0
209.11778	55.4
211.00607	3.2
211.13330	7.9
218.86977	3.2
225.11325	11.2
227.12874	13.0
235.08211	24.8
245.19101	4.5
253.09270	27.7
259.15454	4.9
289.18051	16.1
291.19650	34.4
307.19171	13.5
309.20728	88.6
310.21045	7.0
405.21274	4.2
708.38196	3.3
741.40234	7.5
758.99548	3.7
759.41504	6.4
787.41632	11.5
788.41901	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	787.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73293	0.9
59.01250	16.4
68.98689	0.8
71.01255	9.1
71.14073	2.7
73.02818	8.4
83.01257	2.1
83.04897	1.0
85.02835	5.2
86.02314	0.9
86.57646	0.8
87.00726	1.0
89.02302	3.1
93.03342	7.3
95.01257	1.2
95.04935	1.0
96.95896	3.5
97.06452	1.0
101.02320	8.1
107.04914	1.4
107.60397	0.8
108.02059	1.5
109.02824	3.0
109.06474	1.6
113.02338	3.1
119.03385	1.4
119.04919	1.6
121.02845	11.0
122.03636	18.5
123.00747	1.4
123.04456	1.9
123.08028	1.7
124.01580	2.2
125.02329	3.2
129.01852	1.1
133.02824	3.5
134.03581	1.8
135.04428	10.0
135.08058	1.6
136.01563	24.9
136.04933	1.0
137.02357	6.9
138.06769	0.9
138.25273	0.9
139.03909	2.2
141.09181	0.8
143.06976	1.6
147.04398	2.0
148.05202	1.0
149.02353	33.5
149.04312	1.6
149.06018	1.7
150.03134	97.3
150.06743	2.6
151.00310	5.3
151.03932	29.2
152.01045	2.1
152.04442	0.9
153.01851	1.2
153.09099	3.6
154.02573	1.8
156.46088	1.0
159.04614	0.9
161.02319	1.7
161.04445	2.4
161.05862	1.0
162.03131	1.7
163.03914	2.9
163.07562	2.7
164.04727	6.7
165.05492	100.0
166.02640	16.1
166.05783	3.4
167.03386	3.7
173.08156	3.6
174.03165	1.0
175.03983	6.3
175.07478	0.9
177.01860	2.4
177.05466	1.8
179.03473	1.6
179.06932	1.5
179.10733	1.4
180.04240	7.9
181.04988	19.6
182.05301	1.2
187.03821	1.0
187.09695	3.3
189.05521	4.2
190.06258	6.5
191.03468	1.1
191.05496	1.5
193.04926	1.9
195.06561	64.3
196.03735	1.8
196.06857	2.5
205.05042	1.4
205.08636	1.4
206.05640	1.1
207.06508	1.0
217.10765	10.4
221.08322	1.2
231.12329	6.7
282.05313	1.0
291.33615	0.9
294.05231	1.3
303.72043	1.1
311.09076	1.4
315.08643	1.0
325.10672	1.3
326.11325	1.3
329.10260	3.6
339.08618	1.5
339.12378	2.4
342.11197	1.7
353.39166	1.0
356.12463	2.6
357.09665	5.0
357.13467	8.7
365.23334	1.0
369.13470	5.6
372.12119	3.6
373.12854	2.3
386.13876	2.5
387.14487	51.4
388.14767	6.1
400.83066	0.9
505.18646	3.7
517.18988	1.6
535.19720	55.9
536.19891	7.7
538.32935	1.0
553.20648	1.7
565.20575	1.8
583.21875	23.3
584.22186	3.2
743.38379	9.1
753.53491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03329	1.3
58.00473	1.9
59.01252	100.0
60.01594	1.3
62.24466	0.6
69.03323	1.4
69.62399	5.3
71.01252	48.9
72.01601	1.0
72.99187	2.5
73.02818	54.6
75.00757	2.0
79.95616	1.1
80.96394	6.1
81.03331	0.8
83.01257	18.9
85.02827	7.9
87.00760	3.0
89.02316	8.8
93.03355	1.4
94.97958	1.7
95.01275	2.6
96.95898	1.6
97.02866	1.9
99.00780	1.1
99.04448	0.9
101.02325	53.7
101.73119	0.7
108.02072	1.7
109.02866	2.2
113.02331	19.4
117.03357	2.2
119.03400	5.2
119.04908	1.1
121.02865	5.5
122.03654	4.4
123.00799	2.2
123.04424	1.6
125.02315	5.4
131.03412	6.3
133.02867	3.0
134.03682	1.6
135.04463	1.9
136.01572	14.9
137.02335	4.2
140.03096	0.7
143.03429	3.5
145.02855	8.4
145.03882	0.7
146.03635	2.6
147.04428	2.2
148.99077	1.1
149.02348	7.0
149.04439	6.2
150.03131	30.9
151.00308	5.8
151.03934	15.5
152.01108	1.0
153.01891	0.7
155.03421	2.2
159.04492	0.7
161.02388	7.6
161.04506	12.9
161.06012	2.2
162.03142	27.2
163.03792	2.0
164.04732	1.8
164.98573	1.4
165.01825	0.8
165.05487	33.4
166.02620	15.4
166.05823	1.2
167.03214	1.0
174.03105	0.8
175.03995	2.0
175.96454	0.7
177.01935	1.2
177.05496	15.1
178.05879	0.8
180.04169	3.3
181.04988	17.5
184.51817	0.7
190.06363	1.6
192.04266	0.7
193.05124	0.8
195.06560	30.1
196.03780	0.7
196.06960	1.3
203.05530	1.3
205.05083	1.2
207.06693	0.9
209.11748	0.9
219.06627	1.5
221.06572	1.1
223.06146	0.9
225.00809	2.3
256.98755	0.8
260.89365	0.6
275.19507	0.6
289.07297	2.6
303.69916	0.7
335.15131	0.8
341.10349	0.9
357.09756	2.4
357.13559	3.1
372.12329	2.4
387.14481	19.2
387.19183	1.0
388.14734	1.8
397.34680	0.9
468.69656	0.8
502.05795	0.7
535.19745	3.5
536.19904	0.8
547.19855	11.2
548.20367	1.5
583.22156	3.0
617.20477	1.1
629.51270	0.8
635.23456	0.9
743.40063	0.8
787.34814	5.2
788.34753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.2
59.01251	40.8
60.30857	1.5
61.98700	2.8
63.46559	1.3
65.81277	1.5
67.60695	1.6
69.03313	4.2
70.79289	4.9
71.00899	2.7
71.01255	37.8
72.99191	2.0
73.02802	4.6
83.01270	3.3
83.04912	1.9
85.02810	9.3
87.00758	7.4
89.02317	29.3
95.01255	3.7
95.04877	1.9
96.95891	3.9
97.02796	5.5
99.00755	2.9
101.02312	20.8
103.33430	1.6
108.67331	1.5
109.06487	3.5
111.04460	2.0
113.02335	10.8
119.03384	5.4
121.02815	1.7
125.02380	8.3
125.09596	2.5
135.08015	3.3
137.09587	2.3
138.17375	1.5
141.01740	1.6
143.03368	1.7
161.04451	4.6
171.10153	1.7
179.05594	11.4
209.11758	3.3
211.13216	2.9
213.14929	2.8
221.06552	3.7
228.03084	1.6
235.08122	3.5
239.16469	4.0
247.13176	1.9
263.07709	2.0
275.16428	3.4
276.77835	2.1
276.80801	1.6
307.19022	2.2
315.26944	4.5
317.28348	2.1
325.25320	5.9
341.24719	3.1
343.26416	5.3
351.23215	1.7
359.26047	7.7
361.27405	2.6
369.24335	6.8
370.98138	1.6
377.27084	2.2
387.25415	21.6
387.30197	2.6
388.25232	1.9
395.65201	1.6
397.13467	14.9
403.08359	1.8
405.26437	46.1
406.26816	6.5
479.29883	2.3
575.47913	1.7
693.73755	1.8
767.38947	2.2
785.39618	100.0
786.39923	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	787.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.3
57.03314	1.8
58.00465	2.1
58.13927	0.7
59.01251	100.0
60.01591	0.9
69.03332	1.7
69.96620	3.9
71.01254	57.2
72.99179	2.3
73.02819	52.3
75.00737	1.8
79.75668	0.9
83.01256	19.1
83.01707	1.3
85.02831	11.3
87.00771	2.2
89.02309	10.9
93.03346	2.6
95.01271	3.1
95.66268	0.7
96.95905	1.4
97.02846	2.5
99.00751	1.2
99.04383	0.8
101.02324	60.0
102.02670	1.0
109.06488	1.1
111.00804	0.8
113.02335	25.8
115.33063	0.7
117.01832	1.0
119.03403	5.9
121.02884	4.1
122.03625	5.8
123.04401	0.8
123.08089	0.9
125.02347	3.5
129.01839	1.7
131.03412	5.5
134.03647	0.8
135.08046	0.8
137.02336	2.6
143.03398	5.3
149.02351	15.0
149.04420	5.0
149.47844	0.8
150.03136	35.2
150.06737	1.1
151.03821	1.7
153.09143	3.0
155.03462	2.0
160.01595	1.2
161.02394	1.1
161.04466	9.3
163.03911	1.0
164.04724	2.5
165.01723	0.8
165.05490	31.4
166.05898	0.8
179.05698	0.8
179.07217	0.8
180.04218	2.5
187.09714	1.1
191.05545	1.0
193.05081	1.6
195.06558	20.6
203.05634	0.8
217.10760	6.9
221.06482	1.2
223.06073	1.0
231.12509	0.9
268.07324	1.5
269.04752	0.8
276.18860	0.8
280.07581	1.6
296.06882	1.9
308.06842	1.5
309.07614	2.0
311.09314	2.3
322.08765	1.1
323.09277	3.9
324.06430	1.2
324.10049	1.9
337.11200	0.9
338.11526	1.4
339.08670	17.3
339.12515	0.9
340.09094	1.5
354.11099	6.5
355.11868	1.0
369.13409	30.2
370.13870	2.7
517.18561	10.6
518.19281	1.5
743.38470	5.9
817.85272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.7
61.98702	0.7
69.38503	0.6
70.33067	0.6
71.54887	0.9
91.01780	0.8
113.02351	0.6
120.02038	0.7
121.02850	100.0
122.03176	3.1
135.26404	0.5
136.01570	0.6
142.88179	0.6
165.01830	2.7
181.06516	2.3
191.03473	2.6
197.11699	0.8
209.04501	61.4
210.04871	2.3
225.05475	3.0
258.20621	0.6
313.07159	4.4
357.06219	2.4
401.08765	9.3
402.09103	1.1
425.57922	0.6
437.21182	0.6
785.17090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.8
58.24482	0.8
59.01252	19.5
69.03385	0.7
71.01254	6.0
71.04874	0.9
73.02813	2.1
78.95782	1.3
79.42679	0.7
79.95605	1.7
80.96391	10.3
82.95965	1.8
83.01248	1.3
85.02823	2.2
87.00735	1.6
89.02295	1.4
94.97987	1.5
96.95880	0.7
97.02808	5.1
99.00774	6.3
101.02335	3.2
109.06490	1.0
110.03682	0.8
113.02344	1.7
119.03405	0.8
125.02318	0.9
125.09618	1.8
133.46136	0.7
134.97441	0.8
135.08018	0.9
136.05191	1.0
141.12724	1.0
142.02626	1.2
161.04439	1.1
163.11195	3.8
164.98431	1.5
169.12294	2.2
171.31467	0.8
181.12263	8.2
185.11748	4.8
199.13362	12.3
200.13687	1.1
207.10233	23.3
209.11823	4.2
225.00769	1.7
225.11296	52.2
226.11635	2.7
227.12869	11.5
235.08174	3.7
243.12329	4.7
253.09288	4.8
255.23186	1.1
277.21756	32.1
278.22052	2.3
279.23300	100.0
280.23605	8.1
295.10327	0.8
443.19379	4.6
461.20135	5.0
467.95065	0.8
577.02063	0.8
723.43213	16.6
724.43829	3.3
765.40491	1.5
783.41345	12.0
784.42413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.0
61.98706	13.3
63.96103	1.7
69.03348	1.2
71.01248	12.9
73.02814	1.8
78.47947	1.0
78.98465	8.2
79.95604	16.4
80.02518	1.3
80.96390	89.9
81.03329	1.9
82.95956	2.1
83.04905	2.8
85.02811	3.4
87.00755	4.9
89.02313	2.6
94.97961	21.7
96.95877	4.5
97.02824	2.5
99.00765	1.2
101.02317	7.5
106.70517	1.1
106.97947	2.4
113.02344	2.3
122.97451	3.9
125.02318	3.9
134.06487	1.1
134.97542	6.2
134.98444	1.2
136.99005	2.6
144.04446	1.0
148.99030	7.3
152.98547	8.3
163.11157	2.6
164.98531	15.9
165.12798	2.5
169.12189	1.1
185.11787	2.7
199.13356	8.0
201.11302	1.7
206.99588	4.9
207.10248	1.5
209.11766	80.4
210.12062	2.2
225.00693	27.6
225.11301	2.9
226.11601	1.8
227.12846	13.0
228.13025	1.5
235.08170	1.9
239.13159	1.1
244.71629	1.1
253.09201	8.8
255.23331	1.8
277.21710	64.3
278.22052	6.8
279.22610	1.2
385.17279	1.4
445.20743	2.1
483.15286	3.0
537.27118	1.7
723.42163	2.3
739.39142	7.2
783.41968	100.0
784.42297	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	783.421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.8
61.98693	3.1
63.29868	0.7
63.96113	2.0
64.44495	0.7
69.52877	0.7
71.01265	9.6
73.02824	2.2
78.98462	8.0
79.95615	17.2
80.96397	93.7
81.03310	1.1
82.95969	1.7
85.02847	4.9
85.03275	0.8
87.00748	3.2
94.97965	23.6
96.95899	3.3
97.02831	1.9
98.19756	1.6
99.00790	1.2
101.02325	3.8
106.97980	5.3
117.72027	0.8
122.97482	5.4
125.02348	4.2
127.03927	0.9
134.97485	8.3
136.99034	2.2
143.73688	0.8
148.99074	7.4
152.98552	7.8
155.89018	0.9
164.98550	14.6
185.11812	1.3
199.13330	2.0
201.11339	1.4
201.40321	0.8
206.99689	3.1
209.11870	3.4
225.00723	28.0
227.12851	1.8
229.93153	0.8
255.23213	2.3
277.21674	6.3
279.26694	0.8
405.41956	0.8
411.12448	0.8
483.15421	3.0
527.18384	1.7
537.27679	1.5
739.39099	4.2
783.42023	100.0
784.42297	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	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14731	0.8
59.01255	22.6
60.90848	0.8
69.03318	1.1
71.01259	7.7
71.04893	1.5
71.06830	1.4
71.07162	1.5
73.02827	1.5
78.72913	0.7
78.95764	1.3
79.95610	2.0
80.96394	11.3
82.95991	2.2
83.01221	0.9
85.02834	2.0
86.06440	0.9
87.00769	1.8
89.02306	1.7
89.41111	1.0
89.90394	0.8
94.97964	2.7
97.02840	7.7
97.06428	0.9
99.00756	11.1
101.02337	3.4
109.06479	1.6
110.03574	1.0
113.02327	3.1
123.08029	1.0
125.02336	1.9
125.09635	3.6
125.66682	0.9
135.08025	1.1
136.05205	1.0
141.12819	0.9
142.02628	2.5
161.04501	0.9
161.09686	1.0
163.11220	9.4
164.98569	1.7
169.12280	2.2
181.12283	15.8
185.11760	3.3
197.11728	1.4
199.13326	8.4
207.10210	52.8
208.10582	3.0
209.11780	4.4
225.00710	3.2
225.11279	100.0
226.11725	4.3
227.00072	1.0
227.12794	4.6
235.08148	1.2
243.12355	8.1
253.09245	3.7
277.21744	17.2
278.22101	2.5
279.23294	88.3
280.23672	6.7
388.43839	0.9
418.93228	0.8
443.19385	3.8
461.20297	36.8
462.20804	4.4
723.43225	22.9
724.43732	4.1
765.40826	2.0
783.41077	13.5
784.41730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4413
Annotation	lugdunin
Peak:m/z	Relative Intensity
69.92796	1.9
69.93147	11.9
71.01258	6.8
78.98463	6.9
79.95599	11.7
80.96394	77.5
85.02810	2.2
87.00766	2.6
94.97932	15.8
98.26484	1.8
106.97996	2.9
122.97478	3.4
125.02352	2.4
134.97470	6.0
148.99020	5.8
152.98564	5.6
162.27705	1.9
164.98534	10.0
172.74963	2.1
206.99734	3.6
219.33420	2.0
225.00706	15.8
454.21436	2.0
502.99118	2.3
521.27985	2.1
592.15918	2.2
613.65710	2.3
653.27844	2.1
781.44122	100.0
782.43793	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	781.438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01252	15.9
66.92244	0.6
69.33389	0.5
69.57100	4.2
71.01255	5.1
71.04900	0.8
72.99160	0.8
73.02831	2.0
78.05389	0.6
78.24374	0.6
78.98456	0.7
79.95606	2.3
80.96393	11.7
83.01250	0.8
84.72232	0.6
85.02834	2.3
87.00753	1.1
87.87975	0.6
89.02310	2.1
94.97978	2.3
97.02821	7.9
97.06464	0.7
98.19795	1.2
99.00758	11.2
101.02306	2.9
109.06472	1.6
110.03597	0.9
113.02338	1.7
125.02285	0.8
125.09583	2.4
135.07997	1.0
136.05194	1.2
142.02603	2.1
148.99060	1.2
160.00424	0.8
161.09698	0.9
163.11180	6.5
163.79321	0.6
164.98561	2.2
179.10744	1.0
181.12262	16.7
189.08955	0.7
197.11725	0.8
198.16551	0.7
199.13297	1.4
207.10213	46.5
208.10582	1.6
225.00752	3.1
225.11276	100.0
226.11600	4.7
235.08119	1.0
243.12340	12.4
249.03824	0.6
253.09277	3.0
277.21725	78.7
278.22162	5.7
443.19180	3.6
461.20294	39.8
462.20764	3.0
721.41681	22.5
722.41980	2.1
781.40558	10.9
782.41052	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	781.438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
59.01251	10.7
69.03317	0.8
71.01254	4.7
71.04886	0.9
71.15992	1.2
71.16338	0.6
73.02843	0.6
75.85459	0.5
78.98470	0.7
79.95603	1.9
80.96393	15.0
82.33150	0.5
85.02817	1.9
87.00745	1.4
89.02318	1.5
94.97969	3.2
97.02823	3.8
97.06464	1.1
99.00768	6.9
101.02319	3.5
110.03611	1.3
113.02339	0.8
119.03306	0.6
122.97428	0.5
123.08048	0.7
125.02380	0.9
125.09612	2.0
134.97496	1.2
142.02585	0.9
148.98987	0.7
152.98505	0.9
161.04459	0.8
163.11195	4.1
164.98581	2.7
167.89937	0.7
181.12270	9.0
206.99597	0.8
207.10207	23.1
208.10454	0.6
225.00723	4.3
225.11284	54.9
226.11594	3.3
230.17137	0.6
235.08276	2.9
243.12358	8.2
253.09248	4.1
255.23311	0.8
277.21725	100.0
278.22031	8.5
443.19238	4.8
461.20270	6.1
461.44073	0.6
561.10773	0.7
721.41656	19.1
722.41949	3.3
756.82031	0.6
781.40527	16.3
782.40497	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	777.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.2
69.27547	49.2
71.01254	5.9
75.10908	4.5
78.61720	4.1
83.14785	3.8
93.74605	4.6
96.95873	7.4
121.21143	4.0
161.04512	5.1
171.10225	5.8
201.11259	39.3
209.11766	66.1
227.12756	14.9
235.08148	10.2
237.73128	4.2
253.09218	16.7
277.18918	8.6
277.21747	100.0
279.23270	74.0
437.20383	4.8
445.20679	7.3
513.30756	8.4
777.41998	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	781.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.1
57.10347	1.7
58.00441	1.7
59.01256	49.5
65.03831	2.9
71.01259	32.7
73.02822	26.9
83.01260	9.1
85.02839	6.8
87.00747	3.8
89.02319	10.0
91.05403	11.7
93.03366	3.7
95.01293	2.5
96.95897	5.1
99.45878	1.6
101.02325	20.5
109.02840	51.1
113.02322	6.6
119.03390	6.8
121.02853	36.1
125.02363	3.5
131.03400	2.1
133.02870	2.2
135.04416	100.0
136.04784	2.9
137.02376	2.7
139.99335	1.7
147.04456	10.3
149.05948	2.2
150.03087	2.6
151.03874	2.1
159.04475	3.5
161.02359	1.9
163.03885	1.8
165.05507	2.0
173.06036	3.1
174.06825	3.1
175.07582	2.4
177.05508	4.1
181.33832	1.7
185.06061	2.6
187.07643	4.0
188.08371	5.6
189.05501	10.3
190.06281	7.3
199.07556	2.2
200.08469	2.5
201.09152	2.4
202.06290	3.2
203.07080	8.6
204.07849	3.7
205.08681	5.2
207.04770	2.5
215.07191	5.6
216.07867	35.0
217.08617	23.5
228.07895	5.9
231.10226	18.1
232.10736	2.1
236.05099	4.5
243.10321	10.8
249.05891	4.1
251.63799	2.1
321.11295	7.6
338.11682	4.0
353.13959	86.7
354.14383	8.7
356.10913	8.0
367.44995	2.2
371.13440	3.6
441.28018	1.9
450.07614	1.7
515.19244	35.6
516.19525	6.2
533.19440	16.3
557.20282	17.9
558.20746	3.2
575.21283	36.7
576.21619	10.3
651.78088	2.0
737.26556	40.3
738.27032	8.2
782.28241	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	777.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.02229	0.9
58.02861	6.1
59.01255	41.7
66.69672	1.0
69.31831	11.7
70.02847	3.9
71.01254	16.5
73.02829	8.8
74.02348	31.5
83.01262	2.6
85.02819	6.4
89.02323	3.6
94.23999	1.1
96.95895	8.7
98.02347	7.6
99.00766	5.8
101.02322	12.7
109.02885	1.0
112.01580	1.5
113.02332	7.9
116.03450	5.8
116.04961	12.1
120.05299	0.9
121.02879	1.9
125.02302	2.8
134.03624	2.8
137.02356	1.5
139.03853	1.2
139.11513	0.9
142.06537	1.4
143.03435	1.8
145.32092	1.2
149.06058	1.1
150.79575	0.9
159.02869	1.7
159.09203	3.3
161.04486	11.6
165.05518	1.4
177.01860	1.7
178.02553	1.8
180.04411	1.1
184.33209	1.0
193.05026	4.6
193.18808	1.1
195.06599	1.3
201.10266	2.1
203.06496	1.8
203.08217	25.7
204.08644	2.4
223.06172	1.6
245.09285	49.1
246.09679	3.1
251.09053	1.4
269.10300	14.3
289.07205	1.6
311.11298	5.4
363.57120	1.1
383.13483	1.3
401.14484	17.1
443.15579	100.0
444.15939	11.0
666.90332	1.2
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
54.26748	67.4
54.57240	58.7
58.96951	63.1
63.35193	67.6
117.58005	77.6
197.12846	68.0
198.30733	72.5
211.13445	95.1
277.21881	100.0
313.81299	77.4
460.99536	74.3
575.82831	71.6
597.03864	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15185	0.1
57.25684	0.1
59.01251	0.7
66.37127	0.1
71.01254	0.7
71.22366	0.3
73.02810	0.1
78.95774	2.6
79.95611	2.9
83.02398	0.2
83.04902	0.1
85.02807	0.2
88.51266	0.1
89.02319	0.4
96.95892	100.0
96.96773	3.8
97.02790	0.1
97.95815	0.3
98.02360	0.9
99.00805	0.1
101.02306	0.3
109.02820	0.2
111.06744	0.1
111.57050	0.1
113.02325	0.3
119.03426	0.2
123.04385	0.2
125.02306	0.2
137.02345	0.5
150.03163	0.1
151.03915	0.2
153.06914	0.1
161.02359	0.2
165.01859	1.8
165.05507	0.2
166.02176	0.2
179.03423	0.3
179.05580	0.2
180.04198	1.1
181.04875	0.1
195.06619	1.0
210.05249	0.2
211.05881	0.1
225.07603	0.5
307.97867	0.1
339.12234	0.1
347.92514	0.1
369.13397	0.3
417.21289	0.1
527.22455	0.1
565.20410	0.2
618.35724	0.1
716.50861	0.6
727.25659	0.2
728.27545	0.2
775.29993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.6
59.95877	3.0
61.98703	7.0
71.01246	4.8
71.16724	5.8
80.12685	2.8
86.10017	2.7
91.13978	2.9
97.00802	3.0
101.02304	4.1
102.90489	3.1
138.69254	3.0
171.10187	17.1
199.09660	12.2
201.11185	4.6
207.10216	19.9
207.11903	2.9
207.12856	2.8
225.11217	16.0
235.08124	11.0
246.51906	2.9
253.09229	12.1
277.21729	100.0
278.22116	8.1
279.23322	27.7
513.30853	3.6
587.25342	3.2
695.39716	22.6
696.40289	6.1
721.42328	15.1
775.40509	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	775.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26913	0.2
71.01247	0.3
71.58411	0.3
78.95779	5.9
79.95612	2.9
85.92178	0.1
95.97494	0.1
96.95895	100.0
96.96793	7.3
97.95837	0.4
98.02345	0.4
172.52234	0.1
241.90883	0.2
270.52518	0.2
279.23471	0.2
361.04260	0.2
401.15729	0.2
409.18903	0.3
425.31296	0.2
435.08170	0.4
453.09219	0.8
524.33167	0.2
563.91364	0.2
612.40796	0.2
715.32288	0.9
716.32318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
60.56328	0.1
63.04527	0.2
68.29061	0.2
71.01268	0.5
71.41017	0.1
71.58601	0.3
74.75089	0.1
78.95781	7.5
79.05101	0.2
79.95611	3.3
90.97041	0.2
91.51697	0.2
92.53838	0.1
95.97482	0.2
96.95897	100.0
96.96799	8.6
97.95824	0.4
118.96538	0.3
144.98035	0.2
158.37717	0.1
169.12321	0.2
178.67992	0.1
182.99669	0.2
198.98836	0.2
279.23294	0.7
279.26242	0.2
335.54340	0.2
344.73978	0.2
361.04529	0.4
366.52097	0.2
397.13568	0.6
409.19086	0.6
415.14682	0.2
435.08185	1.3
453.09256	1.6
595.27875	0.2
715.32025	1.6
716.33191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.3
63.67272	5.1
96.95882	4.3
111.45220	4.0
119.28604	4.2
129.93315	4.0
137.25252	3.8
144.66573	3.8
163.11151	7.9
171.10184	14.2
199.09656	28.7
201.11223	6.2
207.10214	28.8
225.11263	32.6
226.11649	4.0
235.08427	4.4
253.09239	12.1
275.79352	4.0
276.20654	4.5
277.21725	100.0
278.21811	6.2
279.23294	30.1
315.27621	4.3
320.94672	4.4
417.17432	4.9
435.18674	11.2
461.20126	9.4
549.48474	5.4
695.39703	36.1
696.40649	7.4
721.41931	27.6
763.93768	5.1
775.40656	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	775.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.5
69.53973	10.5
71.01257	4.5
71.20348	1.4
72.99207	1.8
85.02842	1.8
89.02325	2.3
92.58430	1.4
93.03362	4.9
96.95893	7.1
97.02861	1.3
98.20486	2.5
99.00766	1.7
101.02344	1.6
105.03382	1.4
109.02837	7.0
119.04932	1.7
121.02834	7.5
121.27624	1.2
122.03642	15.5
123.00811	2.9
123.04424	2.6
124.01564	1.5
125.02306	3.2
128.03409	1.4
132.02109	1.2
132.53363	1.2
133.02911	2.5
134.03622	1.4
135.04413	2.5
137.02344	17.3
139.03883	1.5
144.83772	1.2
147.04434	1.5
149.02348	29.5
150.03134	97.8
151.00281	12.0
151.03947	7.3
152.01088	2.6
152.04733	5.1
153.01981	1.6
153.05443	1.4
158.83400	1.4
161.02414	3.6
162.03249	1.2
164.04732	4.2
165.01826	2.4
165.05492	100.0
166.02644	35.9
166.05846	2.0
167.03258	4.1
175.03954	3.1
177.01924	3.3
179.03403	4.7
180.04228	6.5
181.04999	38.4
181.06560	2.7
182.05495	1.4
184.03783	2.1
187.03952	3.4
189.01958	1.4
189.05429	1.2
190.06282	1.6
191.03506	2.1
191.05504	2.2
193.05008	2.8
195.06564	64.6
196.03833	2.1
205.05034	7.8
206.05701	1.6
207.06523	1.7
220.07387	5.6
282.05496	1.7
329.10431	2.6
372.12112	1.7
385.12552	1.5
387.10638	5.5
387.15048	8.2
388.15027	1.6
402.13272	3.3
403.13876	3.1
416.14645	2.8
417.15524	54.6
418.15839	5.0
431.10846	1.6
535.19836	2.2
565.20782	64.9
566.21423	6.8
583.22150	1.9
595.21729	2.2
613.22974	32.4
614.23444	3.8
621.96082	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	775.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	17.1
61.98721	1.9
69.42991	13.7
71.01265	6.8
72.99185	6.0
73.02792	2.0
77.30585	1.5
85.02839	3.7
87.00737	2.2
89.02319	2.7
93.03333	8.0
96.95888	4.5
97.02802	1.8
99.00758	4.5
101.02335	1.5
101.48030	1.4
107.04899	6.0
110.48999	1.4
113.02354	3.3
116.92747	2.5
119.04920	100.0
120.05240	3.0
122.03648	1.8
123.04419	2.2
125.02309	3.1
134.03618	2.2
135.04466	3.0
137.02356	2.6
147.04384	2.1
147.10162	1.3
148.05121	1.9
149.04433	2.9
151.00293	1.4
151.03928	2.6
162.03181	1.7
164.04692	1.7
165.01846	2.2
165.05508	1.9
171.10150	2.8
173.05986	2.6
177.09201	3.3
189.09146	88.4
190.09494	5.5
203.10724	38.4
204.11102	1.4
207.10275	1.6
209.11702	4.4
215.10638	4.5
217.12317	2.6
246.39334	1.5
253.09201	1.7
255.10408	2.0
257.13727	1.9
309.14993	7.9
375.16165	1.4
405.16992	2.4
418.58118	1.8
465.17667	5.0
500.23071	1.7
507.18372	7.8
513.19763	2.2
525.19769	23.1
526.19836	2.4
567.22382	2.8
581.00568	1.7
585.23132	4.7
627.24329	14.5
628.24835	1.7
645.25507	12.0
646.26862	2.5
764.67804	1.6
775.30725	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	773.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03315	1.9
59.01253	11.1
61.98693	7.2
67.57037	0.6
69.03324	1.2
70.03088	3.8
71.01257	6.7
72.99176	1.0
73.02832	2.7
80.02556	1.5
81.03313	1.7
83.01272	1.3
83.04903	4.2
84.02009	0.9
85.02827	6.0
86.78323	0.7
87.00758	0.8
87.08859	0.7
89.02318	3.1
95.04901	1.1
96.95888	9.9
97.02837	0.9
97.06473	2.4
98.20235	1.6
101.02343	5.7
113.02320	3.1
116.92759	3.4
117.03492	0.7
119.03403	1.5
119.04882	1.0
125.02361	1.0
125.09624	1.1
127.11212	0.9
127.74117	0.8
134.64639	0.7
137.09607	1.0
141.01582	1.1
151.03857	0.9
155.10728	1.5
161.04475	2.6
163.11171	4.2
165.12776	2.6
171.10194	14.4
171.84969	0.7
172.10564	1.2
183.13829	2.1
185.11743	1.5
190.93663	0.7
191.10690	1.1
199.13332	1.7
201.11238	1.2
209.11778	100.0
210.12123	3.9
211.13367	12.5
221.11752	1.4
227.12852	15.8
227.15092	1.0
228.13116	1.0
229.14418	6.5
235.08218	8.2
239.13007	1.2
253.09277	18.9
254.09605	0.9
291.19711	4.0
309.20740	8.8
310.21124	1.1
327.21759	65.9
328.22034	5.6
382.89374	1.0
519.33197	1.8
563.30396	1.8
631.22858	1.1
744.67694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	30.4
59.16710	4.3
61.98701	6.9
71.01256	8.2
71.39202	6.9
71.39532	5.9
73.02821	5.5
82.53215	3.6
89.02315	4.9
96.95885	19.8
101.02312	7.7
101.84706	3.8
107.26159	3.8
109.02898	5.4
110.89861	3.8
116.92757	5.7
117.29534	4.5
135.04453	5.9
139.36234	3.8
149.02377	4.9
155.02702	3.6
161.04526	3.7
171.10112	5.2
209.11778	100.0
209.16177	4.0
227.12865	28.5
253.09413	5.9
327.21793	6.8
342.62027	4.9
445.20850	7.0
637.31628	5.5
727.21796	4.6
739.17157	5.4
773.37848	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	773.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.9
59.01251	13.5
60.88100	1.4
69.03309	1.6
70.02246	8.2
71.01250	9.0
73.02817	3.0
81.03368	1.8
83.02313	1.9
83.04899	4.1
85.02831	1.6
89.02312	6.1
95.04919	1.5
96.95904	7.9
97.02846	3.3
98.95494	2.0
99.00786	1.6
101.02327	5.7
109.06454	3.3
111.08022	7.2
113.02315	4.6
125.02363	1.6
125.09602	4.2
127.11210	1.6
137.09637	2.2
151.11185	2.2
161.04433	2.8
163.11223	7.2
165.09128	2.5
165.12737	2.8
169.12253	2.9
171.10196	19.9
172.10577	2.2
179.05489	1.6
181.12363	1.5
185.11765	2.5
193.12357	1.6
196.77910	1.5
197.11769	30.4
199.13307	4.3
200.86893	1.7
201.11267	49.9
202.11497	2.0
207.10138	5.5
209.11772	100.0
210.12080	5.5
211.13353	11.9
225.11256	9.3
226.11630	2.4
227.12851	19.0
235.08252	8.1
253.09285	29.2
254.09546	1.9
291.19626	20.8
292.19781	1.8
293.21198	6.7
306.14661	1.5
309.20697	53.9
310.21103	6.7
311.22272	14.2
315.19440	5.9
327.21747	10.3
393.14420	1.8
397.13678	2.1
437.12659	2.7
437.20380	2.6
545.29865	1.6
773.42853	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	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59731	0.2
58.08168	0.2
59.01253	0.5
69.03690	0.1
71.01249	1.8
78.95778	5.0
79.95611	3.4
85.02824	0.2
89.02313	0.2
89.25060	0.2
92.23521	0.2
96.95892	100.0
96.96785	6.7
97.95831	0.4
98.02400	0.3
98.95451	0.2
99.00761	0.2
101.02320	0.3
113.02368	0.3
116.98589	0.2
118.96532	0.6
119.14874	0.2
125.09675	0.2
139.99664	0.2
144.98076	0.3
146.96036	0.3
163.11237	0.2
165.12997	0.2
169.36641	0.2
171.10208	1.4
183.13919	0.2
193.12270	0.2
201.11203	0.6
204.93596	0.2
207.10165	0.5
209.11842	0.9
211.13370	0.6
225.11174	0.8
235.08159	0.5
243.85466	0.2
253.09271	0.4
268.23080	0.2
277.02481	0.3
277.21671	0.9
291.03836	0.4
293.21368	0.6
295.22650	0.3
311.22250	1.7
343.24905	0.3
361.04471	0.6
368.05600	0.2
397.13550	0.7
407.17538	0.6
435.08243	1.5
453.09323	2.2
495.10397	0.2
593.26453	0.4
713.30774	1.8
714.31488	0.4
773.42639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
59.01239	3.6
64.91058	0.9
67.07224	0.9
70.92440	2.8
71.01244	1.2
73.02779	1.0
77.82026	0.7
83.01194	1.0
85.02804	1.6
87.00726	1.4
89.85872	0.7
95.96079	0.8
96.95864	1.5
97.77703	0.8
98.89349	0.9
99.04362	0.9
101.02345	0.9
123.08062	3.0
136.05141	0.8
137.02347	1.1
149.06030	2.1
150.06776	31.0
151.07477	1.0
157.08600	2.4
162.06767	2.0
163.07571	15.3
163.77191	1.0
164.08284	5.7
171.10204	2.0
177.09111	1.7
178.09856	2.0
179.10706	17.9
180.11058	0.9
187.09537	1.5
190.65155	0.8
201.11258	2.1
207.71419	0.9
229.10735	3.2
299.18750	1.4
320.19916	1.7
334.75183	0.9
335.22079	1.0
341.23267	4.0
343.21194	4.7
364.22601	2.7
459.31030	1.2
462.29590	1.8
476.31274	2.6
477.32504	4.0
504.30853	4.1
505.31540	3.5
522.32111	5.3
523.32739	16.8
524.33344	2.8
685.37958	2.8
709.38208	1.8
727.39099	100.0
728.28076	1.5
728.39587	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	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.5
59.32105	0.2
61.98706	0.3
62.28007	0.2
71.01254	1.9
71.90656	0.2
78.95782	4.7
79.95612	3.8
81.03313	0.2
83.01265	0.2
85.02828	0.3
87.00757	0.2
96.95892	100.0
96.96782	5.2
97.95801	0.2
101.02332	0.3
116.92747	0.3
116.98626	0.4
118.96517	0.6
128.37451	0.2
146.96028	0.2
169.12222	0.4
171.10211	0.8
182.99811	0.2
192.52472	0.2
197.61543	0.2
201.30376	0.2
207.10236	0.4
209.11746	0.6
211.13501	0.3
225.11203	0.4
235.08156	0.2
259.01300	0.2
270.91971	0.2
277.21799	0.8
293.21191	0.8
294.28159	0.2
309.20993	0.2
311.22290	0.4
361.04550	0.5
397.03760	0.2
397.13449	0.6
398.25018	0.2
407.17352	0.7
426.11505	0.2
429.18878	0.3
435.08505	1.1
453.09424	2.1
593.26251	0.3
612.39105	0.2
713.30542	2.6
714.30945	0.5
716.72565	0.2
773.43219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
59.01248	5.9
69.03336	0.8
69.93884	0.6
71.01248	3.2
73.02818	1.7
75.00771	1.2
79.95638	0.6
80.96377	1.7
82.22431	0.7
83.01281	0.8
85.02819	2.5
87.00725	0.9
93.03326	0.9
96.95901	3.3
101.02324	1.4
109.02813	1.2
111.08028	0.8
113.02342	1.4
119.04896	0.6
121.02836	1.1
123.04403	1.4
123.08068	1.1
125.02346	2.5
125.09514	1.2
135.04437	1.0
135.08049	1.0
136.01604	4.6
136.05148	0.8
137.02332	2.3
137.09604	1.2
140.15198	0.7
149.02415	0.7
149.05997	1.8
150.03177	0.9
150.06772	37.2
151.00255	1.2
151.03932	7.0
151.07202	0.9
155.10672	1.5
161.02371	0.9
161.09665	1.0
162.06729	1.1
162.73447	0.6
163.07581	10.6
164.08331	6.2
165.05455	0.9
166.02583	3.9
171.10158	1.5
177.09117	0.8
178.09903	2.0
179.10715	18.0
180.10971	0.8
181.05020	4.8
196.03735	0.8
201.11285	9.2
205.05115	1.2
221.08023	1.0
223.06136	0.8
229.10797	0.9
239.56055	0.6
248.14885	0.6
257.13788	0.8
280.43195	0.7
289.07327	1.0
299.18378	1.0
320.20108	0.7
321.20740	1.6
341.23230	2.4
343.21188	4.2
351.21863	0.9
357.09674	1.6
357.13443	2.7
363.21835	0.7
372.12106	1.7
387.14511	9.9
388.14639	1.4
442.43741	0.8
442.75958	0.7
459.30984	0.9
462.29837	2.0
476.31677	1.7
477.32239	5.4
487.30185	0.9
504.30890	1.7
505.31583	2.2
522.32208	3.4
523.32703	17.0
524.33167	2.7
537.21576	1.2
567.22192	5.8
568.22498	0.8
685.38068	2.6
709.38861	1.1
727.39124	100.0
728.39502	19.8
766.24170	0.8
771.34149	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	771.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
71.01260	1.3
73.02825	2.8
75.00769	0.6
79.95582	0.2
87.00764	0.4
95.88690	0.2
96.95904	0.3
99.00763	1.4
99.92461	9.8
100.92499	0.5
109.96001	0.2
114.69566	0.2
114.93343	0.4
116.03420	0.3
116.92748	100.0
116.97140	7.6
117.01819	4.9
117.05434	0.3
117.92754	4.1
120.82372	0.2
125.47255	0.2
143.87842	0.2
163.11217	0.3
171.10240	0.6
201.11317	0.3
207.10239	0.4
209.11842	0.9
211.13445	0.3
225.11244	0.5
230.08871	0.4
253.09335	0.4
255.23187	0.4
291.19806	0.4
293.21240	0.3
309.20639	0.4
313.19189	0.8
332.05457	0.3
399.68372	0.3
464.91095	0.3
771.41675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
62.33259	0.2
67.71952	0.2
71.01270	0.3
72.99182	0.2
73.02825	2.6
75.00741	0.3
88.98684	0.2
89.02332	0.3
98.19788	0.6
99.00755	1.3
99.92463	9.9
100.92488	0.3
101.02390	0.2
114.93307	0.5
115.00248	0.2
116.92751	100.0
116.97138	3.8
117.01830	4.4
117.05434	0.4
117.92751	4.2
131.49936	0.2
141.34833	0.2
171.10217	0.4
211.13348	0.3
309.20645	0.2
313.19214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29929	1.4
57.03304	5.5
57.99919	1.4
59.01251	64.6
69.50982	12.1
71.01253	16.1
73.02834	3.7
83.01246	3.1
83.04883	2.9
85.02811	11.9
87.00740	5.7
89.02306	6.9
93.03343	2.9
96.95912	9.1
97.02802	3.1
99.04402	2.1
101.02298	7.3
107.04893	3.1
108.04221	1.6
113.02298	3.5
115.03863	1.6
117.03327	1.8
120.05662	1.6
121.02856	11.6
123.04352	2.0
125.02316	8.5
128.51396	1.4
133.04982	12.7
135.04390	4.6
137.02312	4.0
147.04355	5.9
149.02348	64.6
150.02808	3.1
151.03882	4.2
152.01068	2.5
161.02301	2.5
161.04468	2.1
161.09657	10.9
161.13223	4.6
163.03915	3.1
163.11177	5.9
164.04707	54.3
165.01801	2.2
165.05170	3.0
175.00221	8.0
175.06004	3.9
176.01105	2.2
177.01810	2.0
179.03331	2.0
179.07027	6.6
187.11203	13.4
189.09120	3.9
190.02666	22.3
191.03362	2.0
191.05450	3.2
193.05084	1.7
196.03595	2.2
203.06912	1.6
205.05014	23.7
205.06883	3.0
205.12222	3.0
206.05768	1.5
207.10133	5.9
208.03642	6.9
209.04408	4.5
223.06071	100.0
223.13342	19.1
224.06340	5.9
249.11363	3.5
258.12778	1.8
267.12378	12.0
268.12689	1.6
289.06921	2.9
295.10269	7.8
362.85666	1.9
501.16095	27.5
519.17249	22.5
525.59906	2.3
545.14423	2.8
545.22339	39.3
546.21973	1.8
563.23724	20.2
563.32690	3.6
564.24115	3.7
656.40338	2.0
665.37335	2.1
769.29041	55.5
770.29669	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	767.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.3
59.94894	0.7
69.26293	2.4
69.26709	5.3
71.01266	3.8
78.95770	0.6
79.95591	2.0
80.96397	7.7
82.95979	0.9
87.00764	0.9
87.14945	0.7
89.02323	0.8
89.57337	0.7
93.94313	0.7
94.97944	1.2
96.95890	1.1
101.02306	1.6
109.94883	0.7
111.40977	0.6
113.02311	1.4
122.97474	0.9
148.99062	0.8
149.65112	0.7
152.98582	0.8
164.98553	1.6
167.14388	0.8
183.13863	5.4
183.31807	0.8
190.58963	0.8
201.96422	0.8
211.13342	100.0
212.13686	6.6
225.00658	2.2
227.98180	0.7
235.08249	1.9
253.09244	8.3
277.21735	48.2
278.22055	3.9
297.48117	0.7
447.22363	7.8
723.40881	1.1
752.98688	0.8
767.42328	10.6
768.42828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
60.99178	17.7
61.98695	0.4
71.01278	0.5
75.33537	0.3
77.04832	0.3
81.16462	0.4
81.68640	0.3
87.00748	3.2
88.00272	5.8
88.01101	0.5
88.98679	100.0
89.02319	20.0
89.99024	0.6
94.09986	0.4
195.47977	0.4
206.65979	0.3
222.24068	0.5
279.23260	1.2
397.13449	1.7
415.14609	0.7
465.11871	0.4
501.83658	0.4
641.79517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09886	5.5
59.01252	91.8
61.98703	89.0
71.01258	39.7
71.13409	17.1
72.99162	8.6
73.02819	24.0
79.61987	6.9
80.06609	6.0
80.96375	6.0
83.01273	13.0
85.02821	15.0
87.00759	10.1
88.98680	10.4
89.02309	22.6
96.95905	36.0
97.02862	13.9
101.02325	34.4
103.18166	5.8
109.02881	6.0
113.02339	19.7
125.02334	23.0
135.04420	6.4
137.02266	9.6
149.02377	15.1
151.03998	7.5
152.06950	6.5
163.11240	7.4
163.24434	5.5
164.04709	8.4
165.12834	9.8
171.10225	7.5
181.08693	6.3
192.20441	6.6
197.11784	17.2
208.03679	15.2
209.11794	12.2
211.13261	9.3
223.06059	33.1
233.39418	6.0
244.62828	6.1
289.06760	6.3
291.19669	34.1
309.20731	100.0
310.21097	13.5
320.44247	6.8
397.13342	58.7
415.14420	41.3
500.69641	7.3
510.91211	6.7
723.28510	9.1
767.38989	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	767.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.8
60.99180	18.3
70.09250	1.5
71.01263	0.4
77.91267	0.3
80.43594	0.3
81.99542	0.3
87.00749	3.6
88.00279	4.6
88.01077	0.5
88.98682	100.0
89.02322	23.3
89.99025	1.2
90.02648	0.5
119.03327	0.4
188.19214	0.3
271.31885	0.3
279.23358	0.8
303.44415	0.3
397.13547	1.5
398.14130	0.3
415.14517	0.6
608.00659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.3
59.00955	2.4
59.01252	37.4
61.98689	8.4
69.03327	4.3
69.28214	5.2
69.28625	20.7
71.01254	32.4
73.02812	6.0
75.00757	10.6
81.03339	2.8
82.44970	2.0
83.01268	8.1
83.04886	3.6
85.02809	6.2
87.00736	5.6
89.02322	22.3
93.03324	2.2
96.95889	7.2
97.02817	7.1
97.06473	3.3
98.19735	4.9
101.02330	20.3
109.02838	3.2
111.08047	2.0
113.02341	9.9
119.03381	7.5
119.04865	3.0
121.06471	2.2
123.08026	2.8
125.02336	8.7
125.09579	6.0
137.09596	2.2
143.03394	3.9
151.11160	2.8
151.30487	2.2
153.35454	2.1
161.04500	3.8
163.11227	6.0
165.12764	12.9
165.95897	2.5
167.10675	3.8
171.10115	3.6
177.12779	2.6
179.05452	2.4
179.14464	2.9
181.12248	7.2
187.78351	2.3
191.05663	2.1
191.10658	3.3
193.15765	2.7
195.13776	6.2
197.11809	2.2
205.12230	9.2
207.10165	3.9
209.11768	45.9
211.13293	11.4
220.19038	2.1
221.06552	3.7
223.13348	52.2
224.13651	4.0
225.11188	3.0
227.12849	4.9
235.08247	4.7
247.20680	12.4
253.09206	5.7
265.21664	5.8
289.18155	3.3
291.19690	50.8
292.19891	5.8
305.08588	2.6
307.19113	6.7
309.20703	100.0
310.21030	6.9
391.07639	2.9
397.13498	40.8
398.13748	4.2
415.14578	36.2
445.21158	3.0
461.19955	2.8
607.26300	7.4
707.35059	8.6
708.36102	2.4
767.39044	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	767.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	54.1
60.19668	4.5
61.01876	5.1
61.98707	31.9
69.03337	5.4
71.01246	26.6
71.58680	8.7
72.99193	6.1
75.00751	35.9
83.04911	5.8
84.02032	4.5
85.02866	5.1
87.00746	4.5
89.02334	16.0
93.03327	14.7
96.95900	15.9
101.02328	15.8
107.05006	5.7
109.02870	8.2
113.02316	11.0
119.05000	4.9
125.02355	18.3
135.04430	7.2
137.09622	11.0
142.16638	6.2
142.48953	5.3
155.10712	12.0
156.24290	5.4
161.02400	5.4
171.10214	26.9
172.05154	6.1
173.06079	12.5
191.05504	7.0
209.11792	12.0
225.11380	8.7
235.08102	5.8
253.09210	5.9
289.67001	5.2
291.19711	41.2
309.20743	100.0
343.48047	5.3
397.13522	45.0
404.11627	5.2
415.14517	25.3
434.16632	6.4
505.63187	5.8
736.35754	16.1
767.38232	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	767.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	78.6
61.98711	22.7
68.17155	4.5
69.51051	4.7
70.56256	15.2
71.01256	36.7
72.99200	8.1
73.02825	6.1
75.00741	21.1
83.01263	11.9
85.02831	7.0
88.98720	4.7
89.02339	17.4
96.95900	22.9
97.02852	4.7
101.02316	22.6
102.78114	4.4
112.69856	5.0
113.02322	15.6
119.03394	9.3
125.02342	12.1
139.11221	7.0
151.03918	6.2
161.04456	7.5
163.11192	7.2
165.12798	7.0
173.05852	4.7
179.05641	4.9
209.11772	35.0
225.11340	8.0
235.08063	4.7
247.20711	11.0
260.62668	4.2
291.16711	7.4
291.19708	74.0
292.20023	8.9
306.07687	8.7
309.20712	100.0
310.21188	5.1
347.41943	4.5
397.13455	39.7
415.14645	31.2
421.42502	4.8
707.35919	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	767.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	12.6
59.01252	67.3
61.98708	10.6
64.78223	3.9
69.03338	7.1
71.01252	55.0
72.99173	7.2
73.02823	9.5
75.00765	9.7
83.01243	5.9
83.04897	6.3
85.02829	12.0
87.00756	12.0
89.02322	38.4
93.03365	7.8
95.01290	5.5
96.95887	50.8
97.02829	10.1
97.06519	7.1
98.19766	12.2
101.02325	37.3
111.08023	4.5
113.02350	18.3
119.03380	10.6
125.02336	19.3
125.09658	5.9
131.03397	7.1
132.30084	3.7
135.04359	4.9
143.03426	10.0
144.72021	4.1
147.82207	4.0
151.11220	21.1
158.83432	4.5
161.04449	6.4
163.11095	6.5
165.12746	31.6
165.80190	5.0
171.10144	5.4
179.05492	6.5
179.10614	6.1
179.14326	4.5
181.12302	35.3
181.13654	5.5
183.13879	8.1
191.10710	11.7
197.11913	7.1
209.11771	100.0
211.13403	14.5
227.12770	32.7
229.35001	6.9
235.08171	15.2
253.09271	7.8
265.21768	19.9
291.19617	15.1
309.20721	70.3
397.13443	83.0
415.14612	54.3
607.26007	65.1
608.26630	8.9
707.35266	7.9
767.38611	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	765.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55163	1.1
59.01238	8.4
68.43841	1.2
71.01245	3.8
72.99226	1.5
73.03953	5.0
80.96410	2.0
84.00804	1.3
89.02326	1.8
95.02383	1.7
96.95913	2.4
99.01890	1.3
101.02376	1.3
101.14939	1.2
113.03516	1.2
115.08643	2.4
121.02876	1.4
129.10248	7.7
129.66251	1.1
130.06093	3.3
137.07152	1.4
139.08670	2.7
140.07069	2.8
141.10352	1.3
151.08664	5.2
154.09807	3.1
155.08167	4.9
161.04553	1.3
168.11354	3.3
169.09758	4.6
171.10272	1.8
172.10852	2.4
183.13721	6.6
186.12404	8.7
197.16513	1.6
207.14957	4.6
211.13351	100.0
212.13718	5.1
224.17616	3.3
225.11398	1.3
225.13512	2.0
228.17172	3.6
229.13203	1.9
242.18759	3.7
243.14474	1.7
253.09300	2.6
267.18097	1.7
281.19885	5.0
299.20834	5.4
323.24554	1.7
341.25589	1.4
356.22998	4.1
398.27835	2.8
429.21347	1.7
447.22510	9.7
448.23392	1.4
495.29172	1.8
509.30545	1.6
512.31744	3.6
526.33783	3.1
568.38678	1.8
593.21252	1.3
623.34607	2.4
641.35211	1.5
721.46191	81.5
722.46301	12.4
765.38342	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	765.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.2
61.98705	0.4
69.03313	0.3
71.01262	1.4
71.14809	0.5
72.78762	0.2
72.99181	0.4
73.02826	0.2
80.96384	0.5
83.01309	0.3
83.04868	0.2
85.02805	0.3
87.00742	0.4
88.98684	0.4
89.02309	0.9
96.95905	0.4
101.02360	1.3
109.03697	0.3
110.80782	0.2
112.73977	0.2
112.76799	0.2
113.02330	0.7
118.07184	0.2
119.75194	0.3
125.02296	0.3
143.03346	0.3
152.99756	0.2
154.23438	0.3
155.10580	0.3
161.04510	0.6
167.14334	0.6
179.05473	0.4
183.13840	6.0
193.12286	1.2
207.10291	0.3
211.13339	100.0
212.13670	4.3
235.08192	1.4
253.09270	3.1
387.25809	0.4
429.21259	1.6
447.22348	9.5
448.22522	0.4
487.68420	0.3
522.93866	0.3
534.80280	0.3
586.96936	0.2
623.34290	2.7
624.35077	0.4
641.35571	2.2
642.35541	0.3
684.38611	0.2
765.36798	0.3
785.04950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.7
59.01254	47.6
61.98697	4.0
66.22404	2.3
70.94588	5.6
70.94932	2.8
71.01250	38.4
73.02827	5.7
75.00736	4.1
81.03343	3.0
83.01276	9.6
85.02834	8.7
87.00763	6.0
89.02329	25.7
95.04905	3.1
96.95916	9.1
97.02843	7.2
97.06501	5.8
99.00792	3.4
101.02321	26.6
104.22834	2.3
110.65462	2.6
113.02294	13.8
119.03413	7.3
119.04929	3.4
123.04437	6.0
125.02335	11.2
125.09618	7.1
135.04440	3.0
135.08069	3.3
137.09633	3.4
143.03387	3.8
161.04492	4.0
163.03938	4.0
163.11192	7.8
168.59804	2.5
171.10097	6.4
179.05568	7.6
185.11748	8.4
191.14330	9.0
207.10242	8.9
209.11778	29.2
211.13373	7.2
225.11142	4.1
235.08243	11.2
245.19075	16.9
263.20233	4.3
289.18097	91.1
290.18454	7.4
307.19156	100.0
308.19482	8.2
340.96536	2.5
397.13486	63.6
415.14594	49.4
416.15033	4.9
512.73376	2.8
705.33447	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	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62827	2.8
57.03337	5.1
59.01250	50.5
68.40441	3.1
69.03334	5.1
69.52783	3.6
71.01257	48.3
71.15428	3.0
71.59296	3.9
72.87529	3.1
72.99221	6.9
73.02822	5.7
75.00748	15.5
75.50385	3.3
80.96410	4.9
83.01268	6.6
85.02837	11.9
87.00768	11.5
88.98675	7.7
89.02319	26.5
96.93901	2.9
96.95879	5.9
97.02841	7.2
97.06491	6.2
97.93788	3.0
99.00735	3.6
101.02326	35.9
111.08028	4.4
113.02348	13.8
119.03416	8.3
119.04911	8.5
123.04446	3.8
125.02322	18.0
137.02356	5.9
143.03395	7.3
151.11197	6.5
161.04428	3.8
163.03940	11.8
163.11205	3.6
165.12788	13.2
171.10226	4.2
179.05576	6.5
179.10744	3.9
181.12296	15.0
183.13745	4.6
191.10683	7.9
209.11781	46.4
211.13318	11.7
224.08276	3.3
227.12927	26.9
235.08237	10.4
245.19020	7.5
263.20224	17.9
289.18063	20.0
307.19135	100.0
308.19522	6.4
397.13516	60.0
398.13739	5.4
415.14487	38.3
416.15048	4.9
445.20844	4.1
537.41986	3.6
607.26056	41.3
608.25848	5.5
705.33643	18.3
765.33624	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	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35395	0.2
59.01244	0.8
60.99180	18.3
61.98699	3.0
63.93587	0.2
66.28223	0.2
71.01264	1.2
71.58301	0.3
76.88254	0.2
79.54786	0.2
83.94082	0.2
87.00764	3.4
88.00278	5.0
88.01102	0.5
88.98681	100.0
89.02317	24.3
89.99017	0.7
101.02332	0.6
106.94392	0.2
112.79273	0.2
145.41646	0.2
207.10219	0.8
225.11386	0.5
253.09239	0.4
277.21707	1.2
278.22131	0.3
366.41589	0.2
397.13516	2.4
415.14618	0.6
514.51215	0.3
590.98425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.6
60.99179	17.8
61.63288	0.3
61.98695	0.6
71.01249	1.1
87.00755	6.7
88.00282	5.6
88.01087	0.7
88.98680	100.0
89.02318	37.9
89.99020	0.8
101.02330	0.5
142.76785	0.4
148.45848	0.4
186.98987	0.4
207.10117	0.4
211.13368	0.7
213.10562	0.4
215.68347	0.4
247.87137	0.3
253.09370	0.4
277.21738	1.3
301.83600	0.3
397.13477	2.2
408.44119	0.4
410.73804	0.4
415.14621	0.8
489.33353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
57.96728	1.3
59.01250	17.5
60.85874	1.6
62.98787	1.6
65.03835	3.3
71.01266	10.4
73.02818	3.6
85.02813	3.9
89.02316	5.4
91.05398	10.6
93.03339	5.3
96.95909	8.2
98.20583	2.5
99.00757	1.9
101.02341	4.7
109.02832	29.4
113.02322	5.0
116.56687	1.5
119.04899	3.1
120.61958	1.5
121.02851	36.7
125.02306	2.8
133.02844	3.2
134.03593	2.2
135.04419	100.0
136.04750	3.1
137.02324	2.8
138.49066	1.6
147.04430	6.2
149.02341	8.4
149.06013	2.6
150.03084	2.6
159.04366	2.0
161.02342	2.6
162.03091	3.1
163.03902	2.2
163.07648	1.7
164.04747	8.1
165.05496	1.7
175.03963	2.4
176.01181	1.8
179.03493	3.1
179.07103	2.3
191.05486	4.1
191.07042	5.4
192.07791	2.0
204.07878	2.9
205.08569	2.7
206.09402	3.1
217.08655	31.8
218.09416	14.4
219.06694	1.7
219.10225	11.4
223.06087	13.1
224.06377	2.2
229.08582	2.7
232.10976	7.0
233.11739	9.8
245.11786	7.0
250.22763	1.7
255.44638	1.3
278.15909	1.7
321.11273	2.0
323.12717	2.2
339.12244	3.7
340.12970	2.5
354.14636	2.8
355.15485	38.6
356.15857	2.4
473.24008	2.8
499.19711	4.6
517.20850	18.2
518.20978	2.8
559.21924	49.1
560.22162	6.4
679.25464	2.1
721.27319	13.8
722.26697	2.5
771.45630	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	765.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42881	1.0
53.81868	1.0
54.87292	1.0
59.01257	9.5
60.00183	1.0
65.01486	1.2
65.03826	3.2
69.58316	9.7
70.75269	1.1
71.01254	5.7
72.99191	1.1
73.02814	1.5
74.77682	1.0
83.25941	1.2
85.02821	2.1
89.02319	2.7
91.05411	13.2
93.03354	4.9
95.01267	1.5
96.95902	4.4
98.20509	2.4
101.02313	3.0
107.04961	1.4
108.02048	1.4
109.02130	2.2
109.02840	29.1
113.02338	2.1
119.04932	3.2
121.02848	35.1
122.03139	1.4
123.04391	1.6
125.02339	2.2
125.20017	1.1
133.02840	1.6
134.03616	1.7
135.04419	100.0
136.04759	3.0
137.02351	1.6
145.91254	1.2
147.04399	7.9
147.28244	1.3
149.02310	1.7
151.03914	1.6
161.02350	1.3
162.03128	5.4
163.03880	1.5
165.05469	1.6
173.04576	1.2
175.03931	2.4
179.03394	4.0
189.09163	2.1
191.05502	3.7
191.07077	5.4
193.05125	1.6
194.02168	2.3
201.09148	2.3
203.07117	2.1
204.07861	4.9
205.08652	3.7
206.09377	1.5
207.10228	1.5
217.08652	44.6
218.09401	17.9
219.10187	13.8
229.08672	3.8
230.09326	2.7
232.11073	7.7
232.13055	1.6
233.11836	8.0
245.11711	6.0
248.10875	1.2
264.67450	1.4
295.06158	2.1
323.12839	2.9
337.14359	3.3
339.12253	2.7
355.15479	51.9
356.15875	4.5
395.17096	2.1
499.19736	2.3
517.13989	1.9
517.20776	41.3
518.20972	4.5
559.21912	34.7
560.22021	4.5
601.44879	1.4
721.27222	18.7
722.27716	3.1
765.27826	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	760.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	19.4
61.31813	1.9
61.98704	5.4
66.95787	2.4
71.01254	16.0
71.59043	2.9
73.02841	2.4
80.91570	2.8
82.95288	100.0
83.01270	3.4
83.02387	36.7
84.00784	91.4
84.01913	6.9
84.94996	46.2
85.00307	9.3
87.00764	4.9
89.02313	14.9
97.02856	2.5
101.02324	11.9
113.02352	7.1
119.03391	6.3
125.02332	4.9
143.03484	2.3
161.04527	1.9
161.11693	1.9
171.10110	2.5
179.05542	3.3
211.13425	2.0
235.08231	4.2
253.09344	3.7
257.36530	1.9
271.08960	2.0
277.21732	42.5
278.21991	2.5
287.07840	2.4
311.22223	3.0
397.13449	45.6
398.13812	4.8
415.14532	19.3
700.33197	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	761.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
61.92805	0.9
69.40656	7.6
70.61944	0.7
79.64478	0.8
85.02804	1.0
93.03343	1.1
98.19762	1.1
127.39229	0.8
134.03630	31.5
135.03937	1.6
137.02322	5.8
139.03902	1.0
149.05998	13.3
178.02634	25.9
179.03055	1.1
179.05396	0.8
191.05528	3.5
193.04993	100.0
194.05342	5.5
222.27107	0.9
352.00754	0.9
355.10364	14.3
355.14700	1.4
356.11121	1.2
445.58441	0.8
718.48120	0.9
777.32831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50743	2.5
59.01252	18.7
61.98705	11.7
68.04965	2.4
69.62104	21.2
70.33517	2.7
71.01240	15.9
82.95290	100.0
83.02380	21.9
84.00787	83.0
84.01920	4.8
84.94997	37.4
85.00311	8.4
85.02848	2.8
87.00741	2.6
89.02329	12.5
94.12719	2.4
94.50598	2.7
98.20595	2.8
101.02300	13.3
113.02367	5.4
119.03397	6.5
125.02328	6.4
143.03358	3.3
161.04510	2.6
177.20818	2.7
179.05582	2.9
235.08174	7.2
235.52898	3.0
272.65799	2.5
279.23291	46.3
280.23642	5.6
387.12372	3.5
397.13446	47.1
415.14633	16.6
453.52954	3.0
702.35248	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	760.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	24.8
61.98708	34.2
66.95811	3.0
67.25523	2.5
71.01255	23.9
72.07671	2.3
72.99214	3.4
73.02802	3.3
82.95293	100.0
83.02383	40.3
84.00790	93.8
84.01881	6.6
84.02714	3.5
84.94997	41.5
85.00331	2.7
85.02838	4.8
87.00764	4.6
89.02316	17.9
97.02858	3.1
98.20629	6.7
101.02333	17.5
104.21701	2.4
104.70361	2.8
113.02325	7.6
119.03371	4.4
125.02325	7.0
143.03401	3.6
147.76576	2.8
171.10170	7.6
179.05551	5.4
183.32114	2.4
229.88799	2.7
235.08171	6.7
253.09215	3.5
275.26920	2.5
277.09216	4.1
277.21707	49.6
278.21939	5.5
290.78339	2.9
357.82956	2.6
373.09201	2.9
397.13562	49.4
415.14523	20.7
700.32733	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57405	1.9
59.01244	10.3
59.94754	2.2
61.58720	2.0
61.98722	2.3
63.46330	2.0
64.12413	1.9
67.35860	1.9
68.92398	2.0
69.91355	2.1
71.01257	100.0
78.95783	3.7
80.96385	5.2
87.00761	2.7
92.00877	2.4
99.00769	2.6
101.02316	4.6
109.06485	3.1
116.08485	2.4
125.09624	2.5
149.40425	1.9
152.99521	2.1
155.10779	2.2
163.11151	2.8
171.10197	81.5
172.10487	5.1
199.09708	9.7
201.11252	14.1
207.10219	14.1
209.11728	11.8
215.12907	3.6
225.11295	11.7
227.12701	3.3
235.08267	3.2
253.09331	11.0
259.59955	2.2
277.21741	7.1
279.23300	74.3
280.23605	9.1
392.54004	2.5
759.43854	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	759.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64943	0.9
59.01250	8.7
62.91559	1.3
64.10760	0.9
65.57762	1.0
70.19522	4.7
71.01254	100.0
72.01610	1.1
79.21972	0.9
80.96384	2.0
85.02804	1.5
87.00735	1.7
87.90947	1.0
89.02322	2.9
98.20575	1.0
101.02309	3.5
109.06469	3.7
113.02335	1.5
116.92817	1.0
120.32773	1.0
125.09576	2.1
127.11179	2.3
127.47413	1.4
137.57527	1.0
155.10628	1.3
163.11192	1.6
171.10185	73.9
172.10431	1.1
177.73715	1.0
181.12273	1.5
199.09665	10.3
199.13306	1.6
201.11227	8.6
207.10205	12.1
208.10492	1.1
209.11900	1.6
225.11275	8.1
235.08206	2.9
243.12320	1.6
253.09258	8.7
270.22815	1.0
279.23285	94.9
280.23636	8.3
313.79678	1.1
339.04001	1.1
408.51959	1.0
461.20374	3.1
723.43353	2.2
724.43970	1.3
759.45386	10.0
760.47131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89709	22.9
69.94106	100.0
69.94521	38.2
72.13199	22.4
91.24851	23.2
94.89498	27.6
119.22975	25.5
127.59451	23.7
152.13217	26.0
225.11111	39.5
251.36795	23.4
254.64993	24.7
279.23331	55.8
302.34259	24.8
303.63785	24.8
759.42725	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	759.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.1
62.62165	6.8
63.69209	8.1
71.01253	100.0
71.58081	7.9
80.96404	28.6
89.84637	7.7
96.95930	9.2
155.41972	7.3
168.29776	8.6
171.10205	92.5
199.09651	13.2
201.11255	15.6
207.10257	27.3
209.11496	8.7
225.11273	18.5
228.00192	7.2
253.09180	15.7
277.21677	16.2
279.23270	95.0
431.77298	7.8
639.48047	10.9
759.39319	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86291	19.2
56.79218	19.2
58.11193	19.1
59.01289	19.9
71.01279	19.3
71.58569	36.7
71.59236	24.0
75.00764	29.3
78.95780	29.9
80.07456	19.2
80.96400	63.6
81.55089	22.9
95.53237	20.5
111.87646	20.4
117.75168	23.3
127.37208	20.1
131.32211	21.6
180.12936	21.7
209.11813	71.7
255.23267	25.8
277.21759	43.6
359.12283	23.2
371.18213	28.6
657.32184	24.1
759.40546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00191	1.5
59.01252	9.3
59.30304	0.9
70.16471	1.7
70.16861	1.9
71.01257	100.0
72.01588	1.6
73.02807	1.8
77.27208	0.8
78.95771	1.3
85.02804	2.3
87.00739	0.9
89.02328	2.5
89.18325	0.8
97.02797	1.0
99.00745	1.0
101.02316	4.1
109.06463	3.6
113.02333	1.9
115.17258	0.8
125.09629	1.9
125.23309	0.8
125.64919	0.8
127.11160	2.2
129.41132	0.8
155.10684	1.2
161.04451	1.3
163.11198	2.9
171.10190	71.8
172.10522	3.8
181.12268	1.5
199.09727	7.6
199.13292	1.3
201.11288	11.0
204.74657	0.9
207.10239	12.2
213.27785	0.8
215.12752	1.2
225.11281	7.5
235.08168	2.7
253.09258	8.9
277.21741	81.7
278.22128	7.2
435.18463	1.1
461.20309	2.8
478.25479	0.9
721.40906	1.8
739.42725	1.1
757.43738	11.9
758.43927	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	757.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20463	2.8
59.01254	16.2
61.98685	2.3
65.76143	2.7
67.94854	2.3
71.01257	100.0
73.02833	2.8
78.95805	3.4
87.00761	14.5
88.98686	2.6
89.02326	6.2
98.19769	6.3
101.02325	5.6
109.06467	9.1
113.02423	3.2
125.09617	3.5
127.11175	3.4
137.71587	2.5
149.33484	2.8
163.11241	4.7
171.10184	98.1
176.22322	2.9
181.12117	5.1
199.09694	25.0
201.11266	28.4
207.10208	26.7
225.11264	22.1
229.32269	3.5
235.08078	2.8
243.12482	4.0
253.09204	19.7
277.21732	88.8
278.21912	6.8
311.80835	2.7
461.20148	6.1
466.19669	2.7
663.35547	3.0
721.40912	3.9
739.43219	3.6
757.43658	21.1
758.43933	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	759.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.0
71.01264	6.0
75.37762	5.1
81.03328	7.2
81.81576	6.7
83.01231	8.4
93.03329	9.3
98.19854	14.1
102.96232	6.0
108.61128	5.9
109.02833	7.6
119.04903	14.1
121.02834	8.9
123.04396	10.3
125.02332	23.3
137.02342	12.0
139.03918	9.1
165.05495	10.4
167.03403	20.8
177.01990	5.7
179.03351	12.2
189.05392	7.2
191.05608	8.5
209.04504	24.9
233.61391	6.4
239.05550	11.9
310.42874	5.8
345.11441	6.6
477.13907	18.6
519.15112	100.0
520.15289	13.7
549.16217	61.6
550.16510	10.7
579.17133	22.9
621.17865	7.8
639.18866	15.7
759.22217	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	757.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.3
59.01255	40.8
61.98693	4.4
67.77109	2.1
71.01250	8.0
78.95781	2.1
85.02843	1.9
87.00753	2.3
89.02320	6.8
96.21711	1.6
96.31666	2.0
96.95860	1.9
99.00765	6.6
101.02330	4.5
113.02308	2.9
118.76764	2.0
125.09618	5.9
127.11164	7.3
150.20424	1.6
152.99516	2.9
155.10698	2.5
161.04494	3.1
163.11179	3.2
165.09129	2.0
171.10147	4.9
175.49765	1.5
177.11575	1.8
181.12236	8.2
199.09761	3.2
199.11606	2.7
199.13321	14.8
201.11263	97.5
202.11601	4.0
207.10234	13.9
209.11748	6.8
211.13264	3.3
217.14386	4.6
225.11270	35.8
226.11684	2.8
229.45412	2.4
243.12405	10.1
253.09264	12.3
265.25058	1.8
277.21719	58.0
278.22067	4.0
278.81943	1.7
302.45734	1.8
311.22232	5.6
461.20349	9.1
479.61703	1.9
495.41556	1.9
555.66028	1.7
721.41870	5.3
739.43048	13.4
747.60394	1.9
757.43835	100.0
758.44232	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	757.438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00191	1.5
53.80151	0.8
55.14281	0.8
59.01255	10.6
69.25673	1.9
69.26078	8.8
71.01257	100.0
73.02815	1.4
75.20656	0.8
85.02832	1.3
87.00771	2.0
89.02313	3.1
92.08576	1.0
97.02853	0.8
99.00780	1.8
101.02329	3.9
109.06484	5.5
109.30785	0.9
113.02354	1.9
119.90321	0.9
125.09597	2.2
127.11182	3.0
148.73781	1.0
149.80966	0.9
161.04428	1.6
163.11192	2.3
168.49805	0.9
171.10191	97.9
172.10535	4.2
181.12338	2.9
197.11847	1.2
199.09731	10.7
199.13324	2.5
201.11253	18.6
202.11691	1.7
207.10216	13.7
209.11732	1.9
215.12863	1.7
216.13063	1.4
225.11284	11.9
226.11546	1.0
235.08153	1.4
241.14326	1.0
243.12325	1.7
253.09294	8.7
277.21747	56.9
278.22043	5.2
279.23297	1.2
311.22403	1.7
435.18805	1.1
461.20273	3.6
496.22858	1.1
721.41626	2.2
722.42096	1.1
736.04163	1.1
739.42664	1.7
757.43805	11.8
758.44720	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29630	3.5
54.60182	2.9
55.97359	2.9
59.01253	10.9
71.58698	5.3
77.27573	2.9
86.29694	3.2
88.98675	6.6
89.02318	4.9
99.85898	3.0
121.57697	3.3
167.18134	3.8
169.12265	100.0
170.12625	4.6
171.10214	26.4
211.70291	3.6
235.08154	7.3
253.09329	6.7
279.23306	64.1
279.26413	4.0
280.23657	7.5
299.61847	4.1
351.96350	4.1
405.21033	6.3
449.20547	4.2
711.43329	14.9
712.43988	4.3
729.44293	14.2
757.42334	7.5
760.72729	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00990	3.0
59.01252	38.0
60.26794	2.0
61.98678	2.6
62.28985	2.2
67.77143	2.5
71.01252	9.1
73.02808	2.8
73.36465	1.9
78.95773	3.5
81.03303	2.3
85.02813	3.1
87.00762	3.8
89.02322	4.0
99.00748	4.0
101.02315	5.9
113.02346	4.8
125.09597	5.3
126.45066	2.4
127.11161	4.0
133.42207	1.8
152.99510	2.6
161.04414	3.9
163.11176	5.1
167.97079	2.2
171.10190	5.4
181.12221	8.4
199.13329	8.9
201.11252	47.9
202.11652	3.2
207.10162	9.2
209.11775	9.4
225.11302	20.8
229.90527	3.2
235.08183	6.8
243.12306	5.0
253.09279	13.2
277.21741	100.0
278.22101	10.1
279.23288	2.8
311.16763	4.6
311.22348	6.4
721.42200	4.1
739.42676	9.7
757.43744	91.2
758.44373	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
58.00462	0.4
59.01252	5.2
61.98686	0.6
62.53996	0.4
69.03313	0.7
70.33029	1.1
70.33458	0.8
71.01256	4.4
71.04921	0.4
73.02807	0.5
74.02094	0.3
74.54914	0.4
78.67026	0.4
80.02556	0.7
81.03321	1.4
82.95296	0.5
83.01205	0.5
83.04902	4.6
84.02025	0.6
84.33976	0.4
84.93486	0.4
85.02822	0.9
87.00745	0.6
89.02327	3.0
95.04884	0.6
96.37473	0.4
97.06481	0.4
99.08021	1.3
101.02333	3.0
111.08039	0.8
112.05491	0.4
113.02350	2.2
113.09595	1.5
115.13875	0.4
119.03418	0.7
125.05995	0.6
125.09605	0.5
129.09122	2.1
135.08064	0.8
139.11195	0.7
143.03329	0.5
151.11217	0.6
161.04419	1.5
163.11189	4.2
164.11568	0.4
165.12796	2.4
169.12279	1.6
171.10194	3.7
180.96632	0.4
181.12245	2.9
183.13864	0.9
185.11816	0.4
189.98485	0.4
191.10696	1.0
193.12260	1.7
195.13814	0.5
197.11789	5.7
198.12051	0.5
199.13376	2.8
200.13651	0.6
209.11775	100.0
210.12129	5.9
211.13347	11.0
212.13683	0.6
225.11237	0.7
227.12857	12.5
228.13164	0.5
235.08179	3.0
253.09274	13.1
254.09680	0.5
255.06656	0.7
275.20370	0.7
293.21225	9.9
294.21619	1.0
295.22818	1.6
309.20660	0.9
310.20825	0.7
311.22290	65.2
312.22647	5.0
423.21878	0.9
445.20718	1.2
453.02536	0.4
503.33627	1.0
547.31122	1.5
757.42273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.6
59.01255	15.1
61.94154	0.8
61.98695	1.4
64.57939	0.8
69.94107	2.7
69.94519	1.4
71.01257	5.2
73.02830	1.0
78.95764	1.3
80.96335	0.9
81.03330	1.1
83.01258	1.4
85.02831	1.5
87.00774	1.2
89.02328	2.6
97.06461	1.4
98.20574	1.1
101.02325	2.5
113.02303	1.9
123.04349	1.3
123.08011	1.5
125.09630	2.2
127.11168	1.5
137.09631	1.4
145.04948	0.8
161.04503	1.3
163.11206	2.4
165.12743	1.1
171.10184	100.0
172.10521	3.5
181.12289	1.4
181.18396	0.9
183.13840	2.4
185.11746	3.8
191.14232	1.9
197.11763	0.9
199.13286	1.9
201.11159	1.5
207.10211	2.3
209.11768	14.1
210.12070	4.3
211.13475	2.1
212.25041	0.8
225.11249	2.0
227.12874	4.7
235.08212	4.1
237.11385	1.2
245.19037	4.3
253.09279	11.1
263.20145	3.1
277.21658	1.8
289.18079	27.3
290.18350	2.2
291.19858	1.4
292.19852	1.2
293.21118	1.8
295.22760	3.6
307.19122	22.8
308.19537	2.3
309.20572	1.1
310.21140	2.1
311.22318	4.6
445.20038	1.1
460.32947	1.1
467.17432	0.8
478.75690	1.0
577.26501	1.2
757.43829	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	58.6
61.98700	72.8
62.42559	8.2
71.01247	26.3
71.58356	15.6
87.00763	7.8
96.95898	43.1
101.02328	16.4
115.05025	7.9
125.02373	11.2
135.04405	8.3
137.02417	11.3
149.02394	10.4
171.10130	12.8
197.11806	10.1
198.12068	9.4
209.11774	100.0
210.12093	21.5
211.13388	96.9
223.05962	19.9
227.12784	27.3
235.08148	12.6
253.09308	21.8
289.33585	8.6
294.64633	9.3
309.20551	10.3
327.21649	37.1
333.15338	7.6
757.37952	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	757.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	22.1
65.77409	23.8
78.13985	20.4
78.95767	33.7
111.22038	23.7
117.45279	18.8
130.80273	20.2
150.29649	22.3
156.78787	22.4
207.10139	36.6
222.84695	21.0
225.11261	83.1
256.48935	22.8
277.21765	100.0
316.98169	21.1
371.10938	24.8
379.28961	20.3
415.44995	21.8
461.20313	41.9
515.69708	21.6
606.04913	22.7
683.21716	24.2
757.39966	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	757.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59273	2.9
64.91936	3.2
71.02270	3.7
71.57428	5.5
72.99191	4.9
77.69062	4.1
85.02837	13.3
87.00774	3.6
93.03323	23.6
123.04382	6.8
133.02841	3.4
137.02333	11.9
139.03897	4.7
148.64702	3.1
149.02429	4.8
173.04498	11.7
191.05537	100.0
193.01367	11.1
220.29477	3.5
233.02699	3.3
280.18781	3.8
281.07626	3.5
283.16907	3.8
283.20056	4.4
319.67410	3.4
353.08975	5.4
369.08261	8.1
536.00354	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	757.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95959	1.0
57.03347	1.3
59.01264	8.2
60.67023	0.9
65.30585	1.1
69.20816	0.9
69.49470	1.0
70.97995	2.9
71.01245	4.2
73.02818	2.8
74.10138	1.0
75.00760	7.7
76.28080	1.2
80.11003	1.0
80.96393	2.1
85.02815	2.6
87.00761	1.6
89.02311	1.8
96.95896	3.0
99.00762	1.3
99.04370	1.0
101.02306	2.3
111.08051	1.1
113.02337	2.2
123.04436	1.6
123.08075	2.3
125.02323	1.4
125.09579	1.2
130.72473	1.2
135.04367	1.2
136.05200	14.7
137.02298	2.0
148.05244	1.2
149.02376	2.5
149.05995	4.8
150.03088	1.7
150.06776	19.8
151.03885	2.8
161.02318	1.4
162.06773	2.3
163.04031	1.0
163.07542	5.7
164.08321	3.6
165.05409	1.7
165.09114	11.4
173.08124	1.3
179.10716	7.0
191.05571	2.3
194.84036	1.2
196.03697	1.7
201.11220	3.3
223.06050	1.8
259.64395	1.0
306.18549	1.7
321.20621	1.7
327.21744	2.7
329.19650	5.1
337.20059	2.0
343.21124	1.5
350.20905	3.4
445.28836	1.1
462.29556	1.6
463.30594	2.2
491.29846	2.3
508.30698	5.2
509.31152	18.5
510.31766	2.7
671.36188	2.9
695.36176	2.0
713.37561	100.0
714.37964	18.1
757.30463	1.2
757.42517	9.1
758.42535	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31019	0.4
56.72390	0.6
57.03302	0.6
58.00454	0.7
59.01248	6.0
61.98711	0.8
65.92856	0.4
69.03313	0.6
69.28967	6.0
70.29664	0.5
71.01247	4.7
73.02821	1.5
80.02552	1.1
81.03333	1.3
83.01233	1.1
83.04902	4.7
84.02032	0.7
85.02829	0.8
87.00737	0.8
89.02306	3.6
95.04929	0.8
96.95898	0.5
97.02855	0.8
97.06484	0.7
97.14188	0.5
99.00762	0.9
101.02328	4.2
103.98817	0.5
109.06481	2.0
111.08047	5.7
112.08386	0.6
113.02324	1.7
119.03377	0.8
125.05946	0.8
125.09631	0.8
131.03333	0.6
135.08069	0.8
151.11145	0.9
153.12788	1.0
161.04500	2.5
161.09723	0.6
161.32072	0.6
163.11191	5.2
165.12762	3.0
167.10768	1.0
169.12262	3.7
171.10132	3.2
177.12726	0.6
179.05490	0.6
179.10745	0.6
181.12256	1.7
183.13860	1.2
185.11679	1.0
191.10675	1.1
197.11761	29.3
198.12091	1.4
199.13379	4.9
200.13574	0.6
201.11281	1.4
207.10207	3.9
209.11768	100.0
210.12132	5.5
211.13336	7.5
212.13556	0.5
225.11325	4.3
227.12840	16.4
228.13148	0.6
235.08121	3.7
253.09253	15.4
254.09694	0.6
263.20175	2.1
265.18094	0.6
273.18512	0.6
291.19666	14.1
292.19962	1.3
293.21185	3.0
309.20703	42.7
310.21127	3.3
311.22318	2.3
312.05603	0.5
325.20105	0.8
396.34003	0.5
445.20428	0.7
462.04224	0.7
463.22208	0.6
660.54553	0.5
737.40375	0.6
755.42017	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	13.9
70.76093	2.3
70.76427	3.8
71.01262	5.7
73.02765	1.5
87.00736	1.7
89.02325	2.1
101.02349	3.2
109.06470	3.8
113.02343	2.5
126.40699	1.5
151.11205	2.4
169.12262	100.0
170.12639	3.9
171.10178	29.9
171.51863	1.6
207.10208	9.0
209.11905	2.3
225.11322	3.6
235.08199	5.6
250.14113	1.9
253.09291	7.1
277.21744	76.6
278.22098	4.3
279.23322	3.8
309.20847	3.4
311.22379	7.1
405.21274	8.8
496.50613	1.8
709.41565	14.8
727.43103	10.7
734.82220	1.8
737.40948	1.9
755.41467	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	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
58.00446	0.7
59.01256	6.2
60.02576	0.4
69.03302	0.6
69.50077	1.2
69.50484	3.6
71.01247	3.6
71.04870	0.5
73.02842	1.1
80.02558	1.0
81.03333	0.9
83.01284	0.8
83.04901	4.9
84.02045	0.8
85.02824	1.2
87.00762	0.8
89.02309	3.0
95.04886	0.7
96.95907	0.7
97.02824	1.9
97.06458	0.9
98.19768	0.7
101.02318	3.3
109.06474	0.6
111.08042	4.3
113.02332	2.2
119.03400	0.7
125.06078	0.6
125.09544	0.6
135.08058	0.9
153.12746	0.7
156.47427	0.5
161.04485	2.2
163.11195	4.0
165.12755	3.0
169.12265	2.2
171.10167	2.3
181.12280	1.8
191.10748	1.0
197.11781	20.2
198.12080	0.9
199.13414	2.7
207.10204	1.0
209.11780	100.0
210.12128	5.8
211.13365	5.3
225.11304	1.7
226.96341	0.6
227.12856	14.4
228.13141	0.8
235.08241	3.2
247.20706	1.0
253.09280	13.5
254.09329	0.6
263.20142	0.6
265.17969	0.7
273.18555	1.0
291.19675	16.7
292.19965	1.9
293.21188	1.5
309.20724	39.0
310.20914	3.3
311.22409	0.7
315.20850	0.5
445.20230	0.6
545.29834	0.6
612.54822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43740	0.7
57.03315	1.8
59.01254	5.9
61.98693	1.4
71.01240	2.5
73.02836	1.5
79.42113	0.7
80.96375	1.3
83.01250	1.0
83.04898	0.7
85.02818	2.5
87.00742	1.6
87.69357	0.7
88.98665	1.0
96.95875	5.5
101.02325	0.8
119.10397	0.8
119.42768	0.7
125.02326	0.9
135.04378	0.9
135.07974	0.9
143.97559	0.9
149.02278	0.7
149.05984	3.6
150.06764	29.4
151.03824	0.9
151.07265	1.3
157.08621	1.5
162.06786	1.1
163.07559	16.0
164.08260	4.7
171.10172	2.6
176.08340	1.0
178.09889	2.2
179.10719	10.6
193.08659	1.2
193.21695	0.8
209.11766	12.6
210.12112	1.1
215.12897	0.8
225.00511	0.7
225.20361	0.8
227.12854	2.0
231.09981	3.1
249.11093	2.4
253.09224	1.1
263.20056	0.9
279.23291	1.7
325.23816	3.6
327.21790	5.1
359.05859	0.9
381.16010	0.8
443.31424	1.2
444.32483	2.4
446.30267	5.7
447.30499	1.0
460.31665	3.8
461.32764	5.9
461.65787	0.8
488.31393	5.1
489.31955	2.3
506.32333	9.0
507.33188	15.6
508.33542	2.6
669.38782	2.8
711.39594	100.0
712.39966	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	755.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.7
59.00953	0.8
59.01250	13.4
69.03325	1.0
69.99291	0.5
70.99327	1.4
71.01254	8.9
72.99179	0.6
73.02827	3.6
81.03278	0.8
83.01269	0.8
85.02826	2.4
89.02313	4.2
96.95889	9.3
97.02834	0.7
99.00760	8.7
101.02335	1.6
113.02325	3.8
114.97151	0.5
123.04452	0.6
123.08044	0.9
125.02325	1.6
131.03365	1.0
135.04385	0.7
137.02350	0.8
139.11111	0.5
139.12944	0.6
143.03389	1.3
149.02399	0.8
149.04475	3.2
151.03911	1.7
155.03423	2.0
155.97540	0.5
157.12254	1.2
161.04462	1.2
165.05527	0.6
169.12224	0.8
173.04521	0.6
179.03326	0.6
185.11768	2.2
191.05565	4.9
193.05029	0.9
196.03720	0.7
203.05548	6.1
215.12834	1.0
259.12390	0.6
294.08527	0.5
311.22449	0.7
319.99884	0.6
329.23352	2.2
357.26398	6.3
373.26001	2.2
374.26331	0.7
375.27502	100.0
376.27859	9.1
389.29199	2.2
417.28558	1.9
475.49832	0.5
505.15460	0.5
549.32892	1.0
755.30579	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.8
64.01276	0.3
64.63458	0.3
66.60887	0.3
69.39247	0.4
71.01249	1.8
71.06963	0.3
72.99187	2.7
75.00750	100.0
76.01085	1.1
78.95761	0.4
85.02840	0.3
89.02309	1.0
97.02834	0.4
98.19747	0.6
101.02312	1.3
107.04939	0.3
113.02335	0.7
119.03356	0.6
121.42767	0.4
125.02304	0.7
141.01833	0.3
163.11115	0.4
171.10165	0.5
197.11765	0.9
207.10260	1.7
209.11833	1.2
211.13324	0.4
223.13345	1.0
225.11328	0.5
235.08183	1.0
244.41460	0.4
253.09227	0.8
277.21628	0.6
279.23294	3.2
280.23657	0.6
291.19666	0.6
293.21094	0.5
309.20798	1.5
311.22269	0.5
397.13428	6.4
398.13931	0.7
415.14529	2.3
753.40491	1.8
784.86322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.0
57.03326	1.8
59.01249	19.8
61.80516	1.1
64.83110	1.3
70.90477	3.4
71.01254	9.8
72.99191	3.1
73.02815	4.1
78.65108	1.1
83.01270	1.9
84.35204	1.1
85.02827	3.4
87.33157	1.0
89.02332	3.1
90.56489	1.0
95.04929	1.3
96.95865	2.7
97.02831	1.4
99.00753	12.2
101.02340	7.3
108.02074	1.7
109.02836	2.8
113.02341	4.4
122.03606	3.9
123.04412	29.7
124.04752	1.4
125.02325	3.2
131.03400	1.3
135.04376	1.8
136.01541	1.7
137.02338	12.5
149.02327	1.8
150.03149	12.2
151.03915	81.9
152.04712	24.4
161.04381	1.7
165.05417	1.8
167.07074	8.0
177.01904	1.9
178.02632	66.5
179.03229	5.0
191.05556	4.0
193.04988	100.0
194.05331	4.4
195.02922	18.6
196.03687	30.1
210.05269	2.1
211.06073	10.5
215.10593	1.3
223.13391	3.8
267.12375	1.4
305.66595	1.2
373.11127	3.6
375.27521	17.1
376.27563	1.2
408.15836	1.3
435.17770	1.4
439.70050	1.1
460.50220	1.2
487.14490	18.9
488.14938	1.4
490.13373	5.6
505.15625	95.7
506.15863	9.7
541.34692	1.1
604.40466	1.7
695.26031	2.1
711.37897	1.4
737.27209	1.9
755.27643	76.3
756.28198	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	753.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.5
57.48678	3.0
59.01256	30.3
59.07607	2.7
61.98704	53.1
71.01267	23.4
73.02827	4.5
73.60178	3.3
75.41345	3.1
79.96238	3.0
83.04887	8.7
83.91473	3.4
85.02792	7.2
89.02325	15.0
95.04902	6.2
96.95916	8.6
97.06434	4.1
99.00725	4.0
101.02318	16.8
109.06462	9.7
113.02322	7.4
119.03355	4.5
119.08541	8.4
121.06506	3.9
125.02381	3.5
131.04289	3.2
131.29865	3.9
135.08035	14.6
141.01610	6.8
163.11163	10.8
171.10168	45.7
185.11739	4.9
195.13850	9.8
197.11710	10.9
207.10196	27.4
209.11772	100.0
210.12091	4.4
211.13377	9.2
225.11302	30.2
227.12843	23.8
235.08218	6.5
235.13275	4.6
253.09250	18.7
277.21674	10.6
289.18170	27.2
291.19693	7.1
293.21310	5.9
295.22833	62.1
307.19214	20.5
309.20691	15.1
397.13550	26.0
415.14487	19.0
461.20483	6.1
575.71777	4.6
693.36829	5.4
735.39960	5.4
744.50989	4.2
753.41431	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	753.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.4
61.98702	0.3
69.46888	1.1
69.47310	0.5
71.01253	1.1
72.99185	3.9
73.01430	0.2
73.02852	0.2
73.99537	0.2
74.71474	0.2
75.00749	100.0
76.01086	0.9
77.74178	0.2
87.00748	0.3
89.02330	0.9
92.21331	0.2
98.19807	0.4
101.02315	1.0
113.02347	0.6
119.03392	0.3
125.02339	0.6
126.24667	0.2
143.03436	0.2
155.58765	0.2
161.04518	0.2
168.51300	0.2
171.10162	0.2
179.05591	0.3
183.13899	0.2
197.11827	0.4
207.10211	0.7
209.11800	0.8
225.11267	0.7
227.12883	0.3
235.08202	0.6
253.09335	0.3
279.23312	3.6
280.23566	0.3
289.18176	0.2
291.19492	0.3
309.20731	0.3
397.13464	6.1
398.13873	0.4
415.14438	1.8
753.40741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14255	1.9
55.01752	2.9
57.03318	3.0
58.00459	4.7
58.47919	1.6
59.01255	100.0
69.51580	7.2
69.52010	5.8
69.70166	1.7
71.01256	62.9
72.99185	9.3
73.02830	10.0
83.01263	7.2
84.56586	1.6
85.02829	17.9
87.00758	4.6
89.02326	47.1
94.96681	1.7
95.01258	6.7
96.36778	1.6
96.95905	4.5
97.02805	3.0
98.19730	1.6
99.00742	10.8
101.02328	40.4
109.02850	3.8
110.91746	1.5
113.01231	1.7
113.01569	2.2
113.02331	26.5
119.03395	20.4
123.04389	2.3
125.02319	4.8
127.03970	2.1
131.03407	2.5
143.03397	6.5
149.04463	2.1
151.00258	2.6
151.03885	7.0
152.01050	2.5
153.01688	1.7
161.04472	8.0
165.05534	1.7
166.02638	9.5
167.39410	1.8
179.05579	10.0
181.04994	13.8
191.05539	4.7
215.05525	2.5
228.14891	1.7
242.10405	2.1
257.08179	2.3
293.08701	2.4
373.22321	2.3
387.10614	4.2
399.14481	2.7
402.13242	4.0
417.15588	12.9
418.16098	1.9
505.26602	3.8
547.27728	9.1
649.30957	13.1
667.31842	30.0
668.31989	5.3
709.20551	4.2
709.32867	88.1
710.33374	12.6
711.25092	2.6
753.26758	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	753.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01255	6.5
61.98697	0.6
69.76051	2.0
71.01258	3.8
72.99184	0.6
73.02807	1.5
77.36782	0.3
82.25510	0.3
83.01270	0.5
85.02825	2.3
87.00777	0.4
89.02318	1.2
89.03873	0.5
89.88078	0.3
91.05426	0.5
93.03329	0.8
95.01250	0.4
96.95896	0.4
98.20525	0.6
99.00745	1.4
101.02322	2.3
104.80406	0.3
108.02022	0.3
113.02357	1.9
116.45092	0.3
117.03391	0.9
119.01282	0.8
119.04919	0.9
121.02847	9.3
122.03136	0.3
125.02316	1.0
132.02095	0.8
135.04410	1.0
137.02365	0.6
147.00768	0.5
147.04427	3.3
149.02353	59.4
150.02650	1.6
161.04480	0.6
163.04012	0.7
164.04707	46.1
165.01820	0.4
165.05049	2.0
171.10042	0.3
173.05956	0.6
175.00291	4.2
179.03548	0.3
179.07054	5.2
190.02640	8.2
191.03185	0.3
191.05493	0.8
193.05087	0.6
205.05011	10.4
206.05261	0.5
208.03748	1.3
223.06079	100.0
224.06419	4.8
327.76654	0.3
354.77600	0.3
487.25418	1.3
487.31952	0.4
529.27045	0.4
547.27686	0.7
649.37585	1.3
667.39423	0.6
753.33142	3.9
754.34320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
58.02850	5.1
59.01256	3.5
70.02856	4.4
71.01260	1.1
71.57698	0.6
71.58141	0.4
72.00777	1.8
72.04414	0.9
73.02808	0.6
74.02348	30.0
79.91371	0.4
83.12408	0.4
85.02821	2.6
89.02307	1.0
93.03339	0.7
96.95889	1.0
98.02362	6.6
99.00741	0.6
101.02323	1.5
109.02835	1.3
113.02331	0.7
116.03427	7.4
116.04941	10.6
119.04904	0.6
121.02857	0.9
123.04452	0.5
125.02324	1.6
130.06558	1.7
137.02321	1.5
139.03914	0.5
142.06528	2.8
146.12544	0.4
149.02351	0.6
151.03888	0.6
159.09186	2.6
161.02443	2.0
165.01987	0.8
175.04013	0.5
177.01796	2.3
186.05547	0.9
191.01898	1.1
191.05524	0.7
201.10301	2.7
203.08223	32.0
204.08603	2.0
205.05043	0.6
245.09293	100.0
246.09621	5.6
285.04056	0.5
289.07141	3.6
301.07135	2.0
306.07510	0.6
320.02194	0.4
449.08652	0.8
451.10205	0.4
463.10666	0.9
583.12524	1.0
601.13324	0.8
753.17700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81861	1.8
57.03312	3.2
59.01251	14.2
61.98708	23.7
70.81965	2.0
70.82304	4.7
71.01267	6.2
72.91488	1.8
80.96369	2.2
81.89377	1.8
83.04875	2.1
85.02834	2.1
86.54749	1.7
91.46568	1.9
93.03355	4.9
94.97965	1.7
96.95893	6.7
97.02811	2.0
101.02292	4.8
109.06467	6.2
113.02340	4.1
117.03347	21.4
119.04919	71.7
119.08531	4.3
121.02844	6.3
125.02319	2.1
125.09640	3.5
134.96689	1.7
135.08044	4.0
138.11214	1.7
145.02869	40.8
145.06573	2.6
163.03923	100.0
163.11201	5.3
164.04274	3.0
171.08110	3.7
171.10173	6.9
197.11780	7.4
201.05656	1.9
207.10220	22.6
209.11769	28.7
211.13341	3.4
215.07112	6.2
219.06592	2.8
225.11302	19.0
227.12808	4.4
235.08185	3.6
243.06604	2.3
253.09172	9.8
253.93773	2.2
268.07458	4.6
283.09775	3.9
289.18039	8.2
291.19720	6.0
296.06940	2.9
297.07648	3.8
307.19104	4.3
308.06879	3.7
309.07553	5.0
309.20743	14.2
311.05539	2.4
311.09253	3.5
312.06320	6.8
321.11295	5.0
322.08258	2.7
323.09149	8.5
324.06201	4.2
324.09872	4.7
327.08832	16.1
339.08722	21.4
339.12329	3.2
342.11069	12.6
354.11047	5.6
357.13477	13.9
365.10281	35.1
366.10791	2.2
369.13278	11.4
397.44342	1.9
401.87808	2.2
459.22604	2.1
461.20230	5.2
654.37018	2.4
668.98401	2.2
735.24622	2.6
735.39899	4.7
753.25568	60.3
753.39728	6.3
754.25641	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	753.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36030	0.6
55.01766	1.0
59.01254	16.4
60.15768	0.6
71.01255	13.2
72.99192	3.0
73.02820	8.7
81.03335	1.0
83.01263	2.3
85.02838	4.5
89.02329	3.1
93.03346	1.2
93.37901	0.6
95.01250	1.3
96.95908	1.5
97.02835	2.5
98.20577	1.6
99.00756	16.8
101.02322	9.0
109.02831	3.2
111.00767	1.3
113.02328	10.4
114.25475	0.7
121.02834	1.3
123.00751	3.9
123.04397	1.5
124.01580	1.8
125.02320	3.7
131.03380	1.2
132.12654	0.6
134.03662	0.9
135.04419	1.1
137.02345	13.7
138.03127	1.5
139.00276	2.4
139.03899	3.1
143.03368	0.8
147.04382	1.6
149.02359	2.1
150.03064	1.0
151.00278	27.3
151.03882	3.4
152.01054	2.5
152.04674	2.3
153.01794	1.1
153.05434	1.3
154.02579	1.0
159.04395	1.0
161.02347	2.2
161.04408	1.9
162.03088	0.9
163.03949	1.6
164.04694	1.2
165.01866	1.8
166.02628	89.2
167.03322	5.7
173.02393	1.2
174.03125	0.8
175.03932	4.9
176.04715	1.0
177.01880	4.9
177.05510	1.1
178.02608	2.3
179.03395	1.2
181.04991	100.0
182.05269	3.4
184.03766	1.3
187.03949	2.0
188.04817	1.1
189.01906	0.9
189.05501	1.1
190.02705	1.8
190.06329	2.8
191.03505	4.9
191.05350	3.8
192.04195	1.6
193.04976	2.3
199.27087	0.7
203.03426	2.2
205.05006	7.0
205.08636	1.6
206.05800	5.0
207.06528	2.9
217.04971	0.9
217.94345	0.7
219.06522	1.6
220.07347	2.5
221.08147	7.8
233.08195	1.8
289.07227	1.9
293.08890	1.8
301.12048	0.8
311.05688	0.8
329.10193	1.1
339.08636	0.9
341.10217	1.6
353.10312	1.5
359.11383	4.0
369.09772	5.6
372.12140	2.9
383.11285	1.3
384.12177	3.8
385.12766	1.6
387.10803	16.7
387.14670	10.7
388.11148	1.6
398.13742	2.1
399.14471	36.0
400.14853	3.3
402.13202	14.2
402.18362	0.5
403.13779	3.5
417.15546	96.5
418.15826	8.4
529.17603	1.2
663.23004	2.8
675.22821	4.1
681.23834	2.6
693.24005	10.8
694.24182	1.4
711.25055	20.5
712.25671	3.0
723.25305	3.8
726.08270	0.7
735.25323	6.5
736.24878	1.2
753.26123	20.8
754.26428	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	752.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80785	1.4
57.03331	1.5
59.01252	11.1
61.98427	2.3
61.98709	34.0
69.83101	9.6
70.52169	1.4
71.01263	10.2
71.01593	1.9
73.02830	2.3
80.96387	2.7
81.50955	1.3
83.01251	2.2
84.95198	1.3
85.02811	3.3
85.10509	1.3
87.00732	2.2
89.02302	4.5
93.03329	1.5
96.95883	4.9
97.02789	1.6
97.06464	3.2
99.00714	1.4
101.02332	5.8
113.02336	2.2
120.57002	1.5
125.02332	3.3
125.09612	15.9
136.07579	2.7
161.04419	1.9
171.10199	2.2
174.09120	2.5
195.46873	1.5
209.11674	5.4
213.11549	1.6
224.98314	1.5
225.00633	1.5
230.15446	24.1
231.15810	1.7
284.20245	8.1
289.18231	2.2
310.18100	4.7
328.19147	5.5
356.25934	5.2
382.23868	8.9
400.24802	3.5
410.30414	2.1
418.26071	7.2
436.28354	4.7
454.29617	6.6
472.24310	1.7
472.30673	6.4
498.28568	1.6
509.34869	1.4
622.94946	1.5
633.50299	1.5
644.22418	1.8
752.38586	100.0
753.39404	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	752.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86740	2.3
57.03321	2.0
59.01250	19.4
61.98701	47.3
71.01247	14.1
71.15446	4.2
73.02821	2.5
74.27153	1.8
83.01270	2.5
85.02826	4.0
87.00755	2.9
87.29683	2.0
88.98716	2.6
89.02335	3.9
92.06673	2.3
95.04924	2.6
96.95855	10.3
97.06461	4.1
101.02339	7.0
108.81858	2.1
111.85851	2.5
113.02326	3.0
119.04898	2.2
122.06017	2.2
123.08050	3.1
125.02357	4.1
125.09614	18.7
136.07588	2.5
139.67816	2.0
151.23936	1.8
163.11121	2.1
164.04669	2.4
171.10164	2.5
177.23453	2.0
180.79414	2.3
207.10178	2.9
209.11778	13.3
211.13251	3.7
230.15453	21.7
231.15886	2.1
248.16370	2.6
253.08839	2.3
269.22589	2.2
284.20190	8.8
291.19614	5.5
293.21323	3.4
309.20874	5.7
310.18045	4.0
315.81476	2.5
328.19385	5.2
329.19568	2.2
338.25003	2.6
356.26102	4.7
382.24020	7.4
397.13519	4.0
410.30670	2.7
415.14362	3.0
418.25986	7.0
436.28662	4.4
454.29630	5.4
472.30899	6.0
553.51630	2.3
734.37329	3.4
752.38702	100.0
753.39233	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	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05317	1.1
57.03313	5.3
59.01250	27.7
61.98701	16.5
67.29836	1.0
69.03313	1.5
69.71382	1.0
70.15238	5.8
71.01250	19.1
72.99166	2.2
73.02813	3.8
80.96397	1.8
83.01257	2.4
85.02810	5.1
87.00745	3.2
89.02310	17.1
96.95871	1.5
97.02839	4.3
101.02316	17.3
111.04404	2.4
113.02320	7.7
113.09612	12.9
116.92722	4.5
119.03378	3.1
121.06480	1.4
123.04368	1.4
125.02309	6.8
135.04436	1.9
143.03358	3.1
161.04457	3.6
167.10646	2.3
171.10139	2.8
179.05513	3.6
179.10695	2.4
195.13863	1.5
197.11679	2.2
209.11760	5.3
211.13329	2.6
223.09613	3.0
223.13385	1.7
235.08162	3.9
249.42519	1.3
253.09151	2.9
265.21661	3.8
275.20050	2.4
287.16312	1.5
291.19562	2.0
293.21210	100.0
294.21536	8.8
305.08881	2.2
366.72763	1.4
397.13495	61.6
398.13699	5.1
415.14606	29.1
627.62109	1.3
691.35083	4.0
733.37140	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	751.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.7
57.03325	1.0
57.20008	0.6
58.00468	1.0
59.01247	6.5
69.03329	2.4
71.01263	5.0
71.04908	0.8
73.02825	1.4
83.01250	1.1
83.04901	0.9
85.02859	1.0
86.55265	0.6
87.00731	1.0
89.02298	3.0
95.04877	0.7
97.02834	1.5
97.06500	0.8
98.06656	0.6
98.20556	1.6
98.45177	0.7
99.00806	0.6
101.02329	4.9
109.06477	1.7
109.45200	0.6
111.08075	5.8
113.02323	2.5
119.03401	1.1
122.56936	0.5
123.08033	0.6
125.02368	1.0
125.09612	1.2
135.04420	0.6
153.09155	0.7
153.12741	0.8
160.94801	0.6
161.04504	1.5
161.13196	0.6
165.12787	0.8
167.10719	3.1
169.12263	2.8
171.10161	0.9
177.12747	0.8
179.10732	1.1
179.14359	3.3
195.13849	11.4
197.11777	34.2
198.12158	1.9
199.13377	1.3
205.12277	10.8
207.10260	1.2
209.11865	0.9
211.13380	4.8
221.11661	0.6
223.13359	100.0
224.13678	5.6
225.11330	1.0
227.12917	1.3
229.41281	0.8
235.08221	5.3
253.09273	13.1
263.20160	1.3
265.18182	1.3
291.19656	13.7
292.20004	1.1
293.20978	0.8
297.66132	0.6
309.20709	43.7
310.21051	3.6
369.17267	0.8
459.22430	9.7
460.22971	1.1
527.28418	0.7
545.29675	0.9
652.08350	0.7
751.41522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42324	1.1
52.58321	0.9
55.12680	0.9
57.03309	4.3
57.18435	1.0
58.00454	1.2
59.01252	29.2
61.98703	11.6
70.55235	2.0
71.01258	20.3
72.56894	1.0
72.99188	1.1
73.02831	2.7
73.26325	1.0
75.85773	0.9
80.96339	1.4
83.01250	1.2
85.02821	4.1
87.00748	4.3
89.02323	13.6
95.01263	1.3
96.95907	1.0
97.02827	3.0
98.20389	1.3
101.02326	12.9
109.06472	1.1
113.02360	7.3
113.09616	14.0
119.03371	4.0
125.02348	7.7
139.11107	2.0
143.03391	3.5
161.04454	2.7
167.10706	2.7
171.10159	2.1
179.05539	3.5
179.10699	2.7
185.11774	1.3
195.13806	2.5
209.11749	1.4
211.13327	4.2
217.07201	1.2
235.08185	4.7
249.22345	1.6
253.09244	1.9
263.07962	1.3
275.20117	2.1
287.07724	1.7
293.21234	100.0
294.21570	7.3
305.08762	2.7
305.17508	1.1
307.01596	1.2
358.49246	1.0
387.04141	1.1
397.13538	54.0
398.13843	2.5
415.14554	25.3
416.14746	2.1
574.68146	1.2
691.34729	2.6
777.12848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01040	0.1
59.01256	1.5
67.43932	0.1
69.09467	0.1
71.01258	1.1
72.99181	3.6
73.02855	0.3
73.99532	0.3
75.00748	100.0
76.01087	0.8
85.02806	0.2
87.00752	0.4
89.02325	1.2
97.02837	0.3
98.19777	0.4
101.02316	1.0
101.64156	0.2
104.74065	0.1
104.88182	0.1
109.02895	0.2
113.02332	0.5
119.03415	0.4
125.02345	0.4
131.03325	0.2
143.03459	0.2
148.05246	0.1
160.75523	0.1
161.04480	0.2
168.63503	0.2
179.05585	0.3
204.42072	0.2
209.11819	0.2
222.71234	0.2
225.11299	0.2
235.08110	0.7
253.09349	0.2
277.21716	3.0
278.22031	0.3
305.08804	0.2
320.37585	0.1
397.13492	5.0
397.18576	0.3
398.13989	0.5
415.14597	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	751.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.7
71.01254	1.6
72.99184	3.6
73.99520	0.3
75.00749	100.0
76.01097	0.9
85.02811	0.4
87.00767	0.3
89.02320	1.1
98.19778	0.6
101.02325	1.5
113.02322	0.7
119.03372	0.3
125.02370	0.8
141.84056	0.2
143.03432	0.5
161.04472	0.3
164.40271	0.2
173.82564	0.3
197.11829	0.5
202.44820	0.2
207.10262	0.3
209.11754	0.3
218.76979	0.3
225.11229	0.3
229.81415	0.3
235.08255	0.7
260.06348	0.2
267.25403	0.2
277.21686	3.5
281.12955	0.2
291.09427	0.2
297.41779	0.2
341.92227	0.2
356.74649	0.2
397.13504	6.7
398.13712	0.6
415.14566	1.9
444.48569	0.3
549.17505	0.2
751.39386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10155	0.2
55.08744	0.2
59.01247	0.6
62.60388	0.2
71.01260	0.7
71.58732	0.2
78.95779	7.4
79.95609	2.9
85.02829	0.2
87.00735	0.2
89.02323	0.3
90.97031	0.3
94.97956	0.2
96.95895	100.0
96.96803	9.8
97.95840	0.2
109.06472	0.2
113.02362	0.2
118.96517	0.5
125.02338	0.2
146.96027	0.2
182.99751	0.2
207.10278	0.2
223.13210	0.2
225.11249	0.2
235.08101	0.2
255.23254	1.1
291.03964	0.2
361.04480	0.4
385.19150	0.6
397.13492	0.7
435.08130	1.0
453.09134	1.5
691.32111	2.1
692.33167	0.4
704.67188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48643	0.2
59.01242	0.4
61.98701	0.2
64.78654	0.2
67.37994	0.2
69.59935	0.2
71.01261	0.6
71.16898	0.4
78.95775	3.7
78.96216	0.3
79.95614	3.3
89.02322	0.3
90.97030	0.2
96.95898	100.0
96.96790	6.0
97.02834	0.2
101.02326	0.2
101.91211	0.2
116.98568	0.2
118.96549	0.3
144.98071	0.3
158.99554	0.2
193.89050	0.2
201.00758	0.3
250.48592	0.2
250.98291	0.2
255.23322	0.8
277.21591	0.3
361.04355	0.2
385.19135	0.5
397.13519	0.4
435.08286	0.5
453.09152	1.3
691.32361	1.7
692.31757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.7
71.01244	3.4
80.08128	0.7
85.02821	1.9
89.02298	1.2
93.03311	1.0
96.36510	0.7
101.02328	1.7
106.75122	0.8
108.02045	1.8
113.02301	1.7
118.34222	0.8
118.61657	0.7
119.04916	100.0
120.05273	3.9
121.02828	3.0
149.02361	1.1
150.03127	2.1
162.03169	0.7
170.34418	0.7
176.08379	4.7
179.07111	3.4
189.05450	0.8
204.07852	15.7
205.08644	7.1
217.08655	7.6
218.09319	2.7
219.10213	87.4
220.10585	4.1
323.13004	3.4
324.13614	2.0
327.15985	0.8
339.15988	59.2
340.16248	6.1
378.65903	0.8
425.93115	0.7
483.20239	5.6
501.21317	7.2
502.21716	1.4
543.22388	20.8
544.23090	3.9
645.34979	1.1
663.36548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.2
61.70941	1.5
69.53040	11.9
71.01250	5.0
72.04415	3.0
73.02820	3.1
74.02350	4.3
74.98966	3.8
77.45885	1.4
85.02820	3.8
86.02352	2.1
87.00759	1.8
89.02316	1.7
93.03324	3.0
95.01241	1.8
96.95901	5.5
100.03925	13.8
101.02302	3.0
102.98463	2.5
107.25395	1.5
109.02868	2.2
113.02347	2.8
116.01646	1.9
119.04918	30.5
120.05293	1.3
121.02853	2.8
123.04433	1.4
125.02354	3.3
132.98624	1.5
133.02832	1.4
134.03709	1.6
135.04393	3.0
137.02379	1.6
138.98462	1.6
139.99287	7.6
144.01198	8.4
144.02928	6.8
149.02351	4.5
150.03093	4.7
151.03998	1.7
153.00064	4.4
160.00629	2.0
164.04727	3.1
165.05461	2.1
165.07257	1.9
166.00871	8.8
168.99638	1.5
175.07564	2.8
178.01744	17.8
179.01701	2.8
179.03464	1.7
180.99562	3.5
181.06815	2.4
182.00418	2.2
185.05832	1.5
191.05502	2.2
192.99657	2.3
193.08629	3.9
195.04865	2.8
203.07068	4.8
205.08640	21.3
206.42856	1.6
207.01059	2.0
207.04796	3.8
209.06367	36.5
217.08691	16.4
219.10143	2.3
221.06363	3.6
221.08203	3.5
223.04256	9.0
223.06003	2.9
225.05640	1.6
230.01382	2.2
235.08012	1.6
236.05049	4.8
237.05882	88.6
238.06171	6.6
243.06474	2.2
248.04922	2.3
249.05963	10.2
250.06718	4.7
251.07449	5.2
323.12897	4.4
325.14383	2.1
329.12076	6.1
357.11661	76.6
358.11960	6.9
369.09097	1.5
370.09558	1.6
382.09732	4.4
441.12256	3.3
476.96713	1.5
502.15302	5.3
561.18042	100.0
562.18231	16.0
646.37726	1.7
706.21704	21.6
707.22302	3.1
721.58990	2.0
750.16400	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	749.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.3
68.97453	0.6
71.01257	3.1
72.99158	0.8
73.02812	1.2
75.00741	0.7
75.88533	0.6
83.01264	0.7
85.02821	1.3
87.00758	0.6
88.98670	1.6
89.02316	1.1
93.03344	1.0
96.95885	2.0
99.00723	0.6
101.02305	1.6
103.69817	0.7
113.02345	2.0
116.09465	0.6
117.03348	1.3
119.01218	0.8
119.04910	2.0
121.02839	11.5
125.02308	1.1
132.02052	1.5
134.03615	0.8
135.04407	1.1
137.60678	0.7
147.04420	3.8
148.05206	12.3
149.02345	69.8
150.02766	2.0
151.03836	1.1
155.03258	0.6
163.03893	1.6
163.07549	9.3
164.04698	51.3
165.05110	1.5
171.10115	0.7
175.00313	4.5
179.07034	4.8
190.02643	8.8
191.05472	0.8
193.01346	1.0
205.04999	11.5
208.03670	2.0
209.11784	1.2
223.06073	100.0
224.06390	4.5
237.05820	0.8
275.81259	0.7
439.16174	1.1
453.32593	0.7
454.15262	0.8
459.59485	0.7
499.18399	1.7
539.48834	0.7
561.98431	0.7
562.18066	1.3
705.24225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.6
71.01253	2.5
73.02826	0.6
79.51553	0.3
85.02828	1.7
89.02317	0.6
93.03350	1.5
95.01330	0.3
96.95901	0.6
101.02320	0.7
108.02059	1.4
113.02353	1.0
119.04919	100.0
120.05230	3.2
121.02836	2.2
125.02379	0.5
135.04404	0.7
137.02353	0.6
149.02351	1.3
150.03168	2.0
151.03813	0.3
161.04558	0.6
161.06035	1.0
162.03133	1.1
175.03928	0.9
176.08328	4.3
177.09012	0.4
179.07065	4.0
189.05409	0.3
189.09195	0.4
191.05527	0.8
194.02158	0.4
195.06561	0.3
196.03746	0.4
203.07100	1.4
204.05943	0.7
204.07867	13.3
205.08611	6.1
206.09221	0.4
208.07370	0.9
216.07869	0.6
217.08643	7.4
218.09436	1.5
218.11935	0.3
219.10222	77.4
220.10577	4.0
223.06097	0.5
233.11838	1.4
245.11821	0.9
253.19080	0.4
281.08090	0.4
305.11865	0.4
307.13245	0.6
323.12860	2.6
324.13657	1.3
337.14325	0.7
338.15167	1.7
339.15994	48.4
340.16318	4.3
353.13766	0.6
365.17593	0.9
381.16879	0.4
391.13885	0.4
483.20297	6.6
484.20825	0.6
501.21317	3.1
502.22110	0.4
525.21210	3.4
543.22357	11.5
544.22662	1.8
585.23358	2.2
626.37067	0.4
627.76660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49127	2.6
56.09366	2.0
56.19030	2.1
59.01251	43.2
71.01257	32.0
71.59384	3.7
72.99174	2.6
73.02812	4.8
82.63419	2.3
83.01259	4.0
85.02821	11.6
89.02313	31.9
93.03329	7.6
95.01241	4.2
96.95878	11.9
101.02325	18.1
108.02024	3.1
109.02824	4.5
113.02332	14.3
117.56030	2.2
119.03416	11.3
119.04912	2.4
121.02827	11.2
122.03647	17.3
123.04444	3.9
125.02319	6.3
133.02797	3.0
134.03630	3.7
135.04381	5.7
136.01611	5.3
137.02332	10.4
139.03911	2.7
143.03369	5.1
147.04420	2.7
149.02342	24.1
150.03137	100.0
151.03790	8.7
152.04716	4.8
161.02382	3.4
161.04535	5.3
162.03105	4.0
163.03912	3.8
164.04706	5.8
165.01790	3.5
165.05490	93.5
166.05931	3.0
167.07033	2.5
175.03983	5.8
177.05461	4.1
179.03372	3.9
179.05510	7.4
179.07051	2.6
180.04185	9.2
189.05479	2.6
190.02629	3.0
190.06235	4.3
193.05083	2.7
195.06569	63.7
196.03729	10.6
196.07025	2.7
205.05089	2.6
205.08752	3.0
211.06020	4.4
303.59885	2.4
359.14984	19.0
371.14908	8.4
389.25241	5.2
432.74319	3.0
485.23361	2.3
507.19717	3.6
537.21301	13.7
551.21039	3.7
585.23376	9.8
671.23309	3.0
699.26605	44.1
700.26813	6.4
703.28485	3.5
747.27673	11.6
747.39984	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	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49127	2.6
56.09366	2.0
56.19030	2.1
59.01251	43.2
71.01257	32.0
71.59384	3.7
72.99174	2.6
73.02812	4.8
82.63419	2.3
83.01259	4.0
85.02821	11.6
89.02313	31.9
93.03329	7.6
95.01241	4.2
96.95878	11.9
101.02325	18.1
108.02024	3.1
109.02824	4.5
113.02332	14.3
117.56030	2.2
119.03416	11.3
119.04912	2.4
121.02827	11.2
122.03647	17.3
123.04444	3.9
125.02319	6.3
133.02797	3.0
134.03630	3.7
135.04381	5.7
136.01611	5.3
137.02332	10.4
139.03911	2.7
143.03369	5.1
147.04420	2.7
149.02342	24.1
150.03137	100.0
151.03790	8.7
152.04716	4.8
161.02382	3.4
161.04535	5.3
162.03105	4.0
163.03912	3.8
164.04706	5.8
165.01790	3.5
165.05490	93.5
166.05931	3.0
167.07033	2.5
175.03983	5.8
177.05461	4.1
179.03372	3.9
179.05510	7.4
179.07051	2.6
180.04185	9.2
189.05479	2.6
190.02629	3.0
190.06235	4.3
193.05083	2.7
195.06569	63.7
196.03729	10.6
196.07025	2.7
205.05089	2.6
205.08752	3.0
211.06020	4.4
303.59885	2.4
359.14984	19.0
371.14908	8.4
389.25241	5.2
432.74319	3.0
485.23361	2.3
507.19717	3.6
537.21301	13.7
551.21039	3.7
585.23376	9.8
671.23309	3.0
699.26605	44.1
700.26813	6.4
703.28485	3.5
747.27673	11.6
747.39984	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	747.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89952	2.5
59.01252	100.0
63.97046	2.4
71.59037	3.1
97.09052	2.5
104.62384	2.4
190.48495	2.6
270.43417	2.7
339.10901	2.6
353.74799	2.8
419.57001	2.5
432.79507	2.5
473.17899	5.2
512.13318	8.7
526.15057	8.1
530.08368	2.5
614.20251	63.5
615.20221	14.6
646.19177	10.2
647.18817	3.3
687.23077	3.3
747.25189	42.8
748.25604	16.4
761.57733	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	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49127	2.6
56.09366	2.0
56.19030	2.1
59.01251	43.2
71.01257	32.0
71.59384	3.7
72.99174	2.6
73.02812	4.8
82.63419	2.3
83.01259	4.0
85.02821	11.6
89.02313	31.9
93.03329	7.6
95.01241	4.2
96.95878	11.9
101.02325	18.1
108.02024	3.1
109.02824	4.5
113.02332	14.3
117.56030	2.2
119.03416	11.3
119.04912	2.4
121.02827	11.2
122.03647	17.3
123.04444	3.9
125.02319	6.3
133.02797	3.0
134.03630	3.7
135.04381	5.7
136.01611	5.3
137.02332	10.4
139.03911	2.7
143.03369	5.1
147.04420	2.7
149.02342	24.1
150.03137	100.0
151.03790	8.7
152.04716	4.8
161.02382	3.4
161.04535	5.3
162.03105	4.0
163.03912	3.8
164.04706	5.8
165.01790	3.5
165.05490	93.5
166.05931	3.0
167.07033	2.5
175.03983	5.8
177.05461	4.1
179.03372	3.9
179.05510	7.4
179.07051	2.6
180.04185	9.2
189.05479	2.6
190.02629	3.0
190.06235	4.3
193.05083	2.7
195.06569	63.7
196.03729	10.6
196.07025	2.7
205.05089	2.6
205.08752	3.0
211.06020	4.4
303.59885	2.4
359.14984	19.0
371.14908	8.4
389.25241	5.2
432.74319	3.0
485.23361	2.3
507.19717	3.6
537.21301	13.7
551.21039	3.7
585.23376	9.8
671.23309	3.0
699.26605	44.1
700.26813	6.4
703.28485	3.5
747.27673	11.6
747.39984	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	746.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.1
58.82803	0.8
59.01254	8.2
70.86456	2.5
71.01260	4.7
73.02840	1.0
73.60049	0.8
81.03301	0.8
85.02818	1.8
89.02325	4.1
93.03350	1.3
95.01299	0.9
96.95890	5.6
101.02327	3.2
107.43998	0.8
109.02838	1.0
113.02345	2.0
119.04910	1.0
120.01141	100.0
121.01480	1.8
121.02849	3.1
122.03709	4.9
123.04392	1.3
125.02323	1.6
132.20555	0.8
133.02721	1.0
135.04422	2.9
136.01543	3.0
136.02556	0.9
137.02347	5.7
140.84444	0.9
141.09163	0.8
147.04434	0.8
149.02327	10.9
150.03152	17.0
150.06772	0.9
151.03920	5.5
151.07567	1.9
152.04680	2.9
162.83546	0.9
163.03983	1.1
164.04680	6.1
165.05476	13.9
166.02618	1.8
166.05798	3.1
177.01878	1.1
177.34361	0.9
181.04933	2.3
189.05421	1.0
190.02614	1.4
193.05084	1.2
195.06537	9.7
196.03702	5.5
196.06871	2.8
197.04108	0.9
205.05139	1.2
209.72607	1.0
211.06104	1.3
220.09822	1.2
223.06125	5.6
224.06416	3.5
225.06590	2.1
233.74010	0.9
241.05411	0.9
329.10379	1.0
357.13409	1.5
387.14612	2.9
388.14777	2.1
402.57715	0.9
497.30954	1.5
535.19580	2.3
536.05786	0.9
536.20038	6.1
583.57666	1.0
584.22284	2.5
701.37402	2.3
702.38177	3.4
716.21686	0.9
745.37817	1.2
746.37360	1.8
747.38495	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	746.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.1
58.82803	0.8
59.01254	8.2
70.86456	2.5
71.01260	4.7
73.02840	1.0
73.60049	0.8
81.03301	0.8
85.02818	1.8
89.02325	4.1
93.03350	1.3
95.01299	0.9
96.95890	5.6
101.02327	3.2
107.43998	0.8
109.02838	1.0
113.02345	2.0
119.04910	1.0
120.01141	100.0
121.01480	1.8
121.02849	3.1
122.03709	4.9
123.04392	1.3
125.02323	1.6
132.20555	0.8
133.02721	1.0
135.04422	2.9
136.01543	3.0
136.02556	0.9
137.02347	5.7
140.84444	0.9
141.09163	0.8
147.04434	0.8
149.02327	10.9
150.03152	17.0
150.06772	0.9
151.03920	5.5
151.07567	1.9
152.04680	2.9
162.83546	0.9
163.03983	1.1
164.04680	6.1
165.05476	13.9
166.02618	1.8
166.05798	3.1
177.01878	1.1
177.34361	0.9
181.04933	2.3
189.05421	1.0
190.02614	1.4
193.05084	1.2
195.06537	9.7
196.03702	5.5
196.06871	2.8
197.04108	0.9
205.05139	1.2
209.72607	1.0
211.06104	1.3
220.09822	1.2
223.06125	5.6
224.06416	3.5
225.06590	2.1
233.74010	0.9
241.05411	0.9
329.10379	1.0
357.13409	1.5
387.14612	2.9
388.14777	2.1
402.57715	0.9
497.30954	1.5
535.19580	2.3
536.05786	0.9
536.20038	6.1
583.57666	1.0
584.22284	2.5
701.37402	2.3
702.38177	3.4
716.21686	0.9
745.37817	1.2
746.37360	1.8
747.38495	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	745.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.0
57.03321	2.8
58.00467	5.6
59.01252	100.0
60.01588	1.3
71.01257	77.8
71.58290	2.1
72.01587	1.4
72.99173	9.1
73.02821	3.2
74.04243	1.2
74.98974	1.5
75.00739	1.4
83.01277	3.4
85.02830	15.4
87.00759	3.0
89.02319	85.5
90.02683	1.1
92.62363	1.2
93.03332	2.5
95.01264	4.0
96.95897	4.3
101.02323	47.6
109.02841	1.4
109.50595	1.2
109.76557	1.2
110.63614	1.2
112.98326	1.3
113.02336	31.1
119.03397	37.6
121.02853	4.2
122.03625	9.1
123.00764	1.7
123.04402	2.2
125.02380	3.4
131.03436	5.0
134.03630	2.2
135.04424	3.1
137.02361	3.7
143.03416	5.7
149.02353	14.8
149.04436	5.0
149.06065	1.6
150.03143	37.7
151.03850	4.8
151.07547	6.4
152.04683	3.2
161.04472	5.6
164.04718	1.7
165.05496	36.7
177.01836	1.6
177.05453	1.3
179.05559	10.5
179.07016	2.0
180.04257	2.8
191.05461	1.7
195.06595	23.4
196.03694	5.5
197.86954	1.4
268.07565	2.8
283.09848	1.9
308.06992	2.3
309.07510	1.4
311.09479	3.0
322.08698	1.9
323.09283	5.1
324.06561	2.0
324.10031	2.0
338.11621	1.7
339.08716	19.2
340.08997	2.3
354.11093	6.4
367.37360	1.4
369.09171	2.4
369.13443	30.7
370.13702	2.9
451.30731	1.7
468.72131	1.4
497.31180	2.9
517.18726	11.0
590.65491	1.3
701.37610	11.7
745.24835	2.0
745.36633	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.0
57.88597	2.2
58.00460	5.4
59.01251	100.0
69.36298	10.3
69.36730	7.2
71.01257	84.0
72.99187	8.2
73.02825	4.7
81.03357	1.9
83.01278	3.9
83.33028	1.8
85.02824	12.7
87.00761	7.4
89.02317	95.8
93.03358	3.4
93.85569	2.0
95.01308	4.6
96.38041	1.9
96.95877	2.2
101.02325	34.7
109.02855	3.5
113.02332	34.7
117.03363	1.9
119.03390	36.1
121.02851	7.8
122.03645	13.6
123.04465	9.7
125.02358	3.3
131.03358	4.4
133.02905	2.5
134.03639	3.8
135.04416	7.4
136.01556	20.8
136.05209	2.8
137.02339	31.7
137.05777	1.8
143.03410	8.5
145.02823	9.4
149.02348	11.9
149.04428	4.9
149.05992	2.1
150.03145	58.5
151.00301	7.1
151.03923	39.9
151.07545	8.1
152.01096	1.9
152.04686	23.3
153.05133	2.7
161.02316	9.0
161.04457	10.8
161.05792	2.4
162.03154	34.5
163.03831	1.7
164.04669	3.6
165.04114	4.1
165.05498	74.1
166.02602	16.5
167.03426	2.2
177.01936	1.9
177.05501	25.3
178.02643	2.7
179.05513	15.9
180.04291	9.7
180.05684	2.5
181.05002	21.0
193.04973	3.9
195.06573	74.6
196.03711	48.0
196.06830	2.7
197.04013	2.6
211.06039	14.4
223.06161	2.4
357.09552	3.2
357.13425	6.1
369.13507	2.4
372.12393	3.2
373.71951	1.9
387.14407	27.2
388.14725	2.5
389.25214	3.8
415.12637	2.4
465.59537	2.2
477.95959	1.9
496.29620	2.2
497.30801	5.4
535.19647	4.5
547.19928	11.0
583.21655	11.7
700.35803	4.9
701.37189	24.9
744.36139	2.2
745.36633	34.4
746.37012	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	745.272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70423	1.4
59.01256	43.5
65.03469	1.6
65.04363	1.8
71.01263	24.5
72.99181	3.0
73.02824	2.0
82.81029	1.7
83.01225	2.8
85.02811	5.3
89.02319	31.4
93.03329	5.4
95.01269	2.7
96.95895	2.3
97.02860	1.7
98.20541	5.6
101.02329	15.9
109.02849	3.2
113.02329	11.9
119.03404	14.7
120.01152	40.4
121.02841	15.0
122.03627	28.9
123.04371	2.5
125.02319	1.8
131.03352	2.0
135.04439	11.1
136.01578	19.5
136.05215	3.3
137.02319	7.4
143.03436	2.8
147.40686	1.5
149.02365	28.8
149.05968	2.9
150.03148	100.0
151.00267	5.3
151.03935	28.6
151.07542	12.3
152.01172	1.9
153.09096	1.8
159.04510	1.7
161.02274	2.8
161.04445	2.9
162.03104	2.4
164.04697	9.7
165.05499	96.6
166.02618	14.2
166.05782	4.5
167.03285	3.2
175.03923	4.6
179.03384	2.4
179.05573	3.7
180.04205	5.9
181.05009	18.5
189.05498	4.9
190.06300	7.1
195.06573	61.3
196.03700	7.1
196.06975	2.2
205.08694	2.2
206.16208	2.0
221.08051	2.5
229.30261	2.7
301.05524	1.7
323.09552	1.9
329.10443	2.9
339.08762	6.5
342.11108	2.6
354.11249	4.5
356.12198	2.1
357.09610	4.6
357.13489	7.5
369.13434	12.4
372.12204	4.1
386.13745	3.4
387.14484	44.5
388.14850	4.1
451.30478	4.6
497.31323	6.9
505.18710	3.1
513.43604	1.5
535.19812	52.3
536.19879	8.7
583.21741	22.2
584.22729	3.2
701.37640	23.0
702.38141	3.8
745.37488	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	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	1.4
58.00460	2.4
59.01254	58.6
64.66740	1.7
70.11244	5.1
70.11655	3.1
71.01257	53.0
71.02884	1.4
72.99172	4.5
73.02817	4.1
78.73836	1.6
83.01262	2.8
85.02832	12.7
87.00747	4.0
89.02320	51.7
93.03337	5.7
95.01258	4.2
96.95864	3.0
97.02824	1.8
98.19780	1.7
99.00771	2.9
101.02329	32.8
109.02835	2.8
111.49970	1.8
113.02345	18.8
119.03382	24.6
121.02843	7.1
122.03629	19.1
123.04382	2.9
125.02351	2.8
131.03387	2.4
133.02869	3.3
134.03607	4.4
135.04341	3.0
136.01576	3.2
137.02351	3.6
139.04947	1.8
143.03404	6.0
149.02351	28.9
149.04375	2.2
149.05859	1.4
150.03140	100.0
151.03751	5.8
151.07573	3.1
153.05493	2.5
161.02338	2.8
161.04466	8.2
162.03098	5.6
163.03969	2.1
164.04700	4.6
165.05495	92.4
166.05792	2.2
174.31113	1.7
175.03903	3.1
177.01740	1.7
177.05521	3.7
179.05577	19.4
180.04214	7.7
191.05502	2.0
195.06555	46.3
196.03763	3.5
196.06842	2.3
203.07071	2.7
205.04974	1.8
211.05927	1.9
238.06419	2.1
245.08076	2.4
289.07123	6.9
309.07669	3.8
323.09088	2.6
324.10071	5.9
327.08563	1.7
339.08667	6.4
339.12384	9.7
340.13052	1.7
342.11087	3.9
357.13455	8.3
369.13431	20.6
370.13910	3.2
387.23785	2.5
389.25351	2.3
449.16327	1.9
495.66733	1.8
505.18561	5.0
505.26093	2.0
517.18701	8.2
519.18402	2.8
531.18719	3.6
535.19659	26.3
536.19739	5.0
697.25140	18.5
698.25305	4.7
701.37415	4.6
745.26392	11.0
745.38562	2.8
746.27417	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.0
60.99179	17.2
61.98685	0.9
65.48714	0.3
69.83237	1.6
71.01270	0.4
75.00783	0.2
75.64239	0.3
87.00758	2.5
88.00278	5.0
88.98682	100.0
89.02319	19.1
89.99028	0.8
101.02364	0.5
109.12619	0.3
134.48639	0.3
155.00035	0.3
171.10239	0.6
181.16562	0.3
191.05524	0.4
211.13379	0.8
241.72701	0.3
255.23245	0.9
293.21240	0.5
397.13394	1.3
415.14426	0.4
531.06592	0.3
547.69055	0.4
565.04260	0.3
624.13239	0.3
721.81488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92229	2.2
59.01254	7.4
64.83701	2.2
69.37199	6.9
69.37621	15.0
70.52109	2.4
71.01258	4.0
75.68758	2.8
87.23775	2.5
89.02296	2.7
93.03365	4.6
94.18603	2.2
95.04915	2.7
96.95887	18.9
100.60127	2.2
105.03361	3.1
107.04876	2.5
108.02062	3.8
109.02853	3.7
111.00739	2.4
113.02351	2.6
121.02853	13.0
122.03615	8.2
123.00784	4.2
123.04423	35.4
124.01527	3.7
125.02328	2.3
132.02055	3.9
133.02841	11.7
134.03648	15.1
135.04407	7.3
136.01543	5.5
137.02345	62.9
139.03889	3.9
147.04460	2.2
149.02342	31.7
149.06003	5.6
150.03149	44.2
151.03931	83.4
152.04721	45.5
153.05147	3.7
155.34489	2.6
160.01581	20.4
161.02351	26.5
164.04665	14.7
165.05528	29.8
175.03946	27.2
176.04472	2.9
177.01848	8.2
177.05629	2.7
178.02608	9.6
179.03429	6.9
180.04294	3.7
181.05000	9.1
191.05510	2.8
193.05019	17.1
195.02905	6.1
195.06584	9.8
196.03708	100.0
197.04068	2.9
211.06058	28.2
223.06091	2.5
224.77519	2.3
323.07751	7.8
337.09305	10.4
341.10587	3.1
358.98026	2.6
384.48785	2.7
389.25073	4.5
397.96347	2.5
504.16757	2.5
517.13348	11.0
547.14313	10.8
548.15674	2.7
549.16174	35.1
550.16534	4.9
563.17737	3.9
603.17078	3.9
697.21448	3.0
727.22498	8.9
745.23511	78.6
746.23773	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	743.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.3
60.43394	0.3
60.99179	16.1
61.98701	2.6
61.99477	0.3
70.53590	0.3
71.01270	0.3
80.14722	0.3
87.00764	2.4
88.00269	4.0
88.98682	100.0
89.02321	15.6
89.99016	1.1
101.02315	0.3
105.50619	0.3
113.09682	0.4
161.50560	0.3
171.10205	3.7
201.11319	0.7
202.11586	0.3
209.11789	1.9
210.12126	0.9
229.53639	0.4
230.87950	0.4
233.23978	0.3
235.08199	0.3
255.23222	0.4
261.60645	0.3
277.21762	1.2
278.22034	1.0
291.34567	0.3
293.21259	3.0
383.55246	0.3
397.13547	1.4
398.14014	0.3
415.14581	0.5
422.85562	0.3
436.26770	0.3
457.06601	0.3
737.83661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79813	0.7
57.03317	1.3
57.44576	0.9
59.01250	4.9
59.01495	0.8
63.14812	0.8
68.99752	0.8
69.03342	0.9
70.09623	0.6
71.01258	1.8
73.02842	1.9
75.00739	1.0
76.64272	0.8
83.80392	0.8
85.02809	1.8
93.03351	0.9
96.95882	1.0
97.06483	1.0
98.19783	2.0
101.02331	1.1
107.04878	1.6
108.02066	1.3
109.02800	0.9
111.04478	0.9
111.08068	1.1
112.06796	0.9
113.02327	1.0
121.02838	0.9
122.03629	32.2
123.04470	1.7
123.08011	2.4
133.06522	1.1
134.03665	1.1
135.04414	8.1
135.08041	1.1
136.05225	4.3
137.02307	4.2
137.05940	0.9
148.05165	1.0
149.06009	2.0
150.06767	4.9
151.03886	3.6
151.07561	43.2
152.04715	3.0
152.08000	1.6
165.05426	1.9
187.09697	2.0
193.04987	1.4
196.03758	5.5
211.06046	1.8
217.10735	1.5
223.05968	0.9
236.09805	0.9
307.18976	5.3
336.19342	5.3
343.21335	5.9
413.26917	2.3
431.28055	2.6
449.28989	6.8
477.28540	3.0
494.28293	1.1
495.29669	23.1
496.30350	4.1
574.97131	0.9
639.32562	1.4
657.35046	1.1
699.35925	100.0
700.36328	23.7
743.35822	5.8
744.40552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70061	0.9
57.03314	1.7
59.01252	7.7
71.01260	4.8
72.99178	0.8
73.02828	1.7
75.00752	2.2
85.02834	1.9
87.00741	1.3
89.02316	2.6
93.03361	1.5
96.95876	2.1
97.02846	1.1
97.06493	1.1
98.19714	1.8
101.02326	2.5
103.16196	0.8
109.02835	1.9
113.02336	2.3
121.02925	1.0
122.03619	18.1
123.04369	2.7
123.08082	1.6
131.05434	0.8
133.46887	0.9
134.03632	1.7
135.04414	6.0
136.05199	9.4
137.02345	4.1
149.02240	0.8
149.05991	2.6
150.03114	1.4
150.06741	4.0
151.03944	4.0
151.06343	1.7
151.07559	28.5
152.04689	2.2
152.07927	1.0
161.02333	1.2
164.04680	1.0
165.05466	1.9
165.09145	5.3
171.10132	0.9
177.05444	1.0
179.03287	1.3
193.04991	2.1
196.03644	4.6
201.11229	3.1
211.06052	1.7
213.81261	0.9
229.21733	0.8
244.85980	0.9
289.07239	0.8
293.17651	2.7
307.19104	1.5
327.12335	1.0
327.40781	0.8
329.19730	2.4
336.19391	1.7
343.21140	4.9
355.08417	1.0
370.10275	1.0
381.93634	1.0
385.12973	4.2
418.07693	1.1
419.60229	1.1
431.27731	1.9
449.28992	6.5
450.29605	1.1
477.28525	2.5
494.28973	2.6
495.22858	1.7
495.29633	23.7
496.29947	3.0
657.35150	2.7
667.06891	1.0
699.35931	100.0
700.36377	18.7
724.80518	1.0
743.36902	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	743.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39955	3.9
55.01757	4.9
58.87647	4.5
59.01252	41.0
70.99493	11.4
71.01257	18.2
73.02797	4.5
83.01284	5.3
85.02833	9.2
87.00766	5.8
89.02312	16.8
89.61475	4.4
93.03308	5.7
96.95899	13.3
97.02856	6.2
101.02325	14.3
102.24760	4.2
106.51138	3.8
109.02814	8.9
111.08020	4.8
113.02331	9.7
118.02126	4.3
119.03459	7.0
121.02823	7.5
122.03674	4.1
123.04401	16.3
125.02295	6.1
135.04420	5.3
136.05154	4.8
136.62929	4.3
137.02332	7.6
148.05232	3.5
149.02304	12.6
149.06038	5.6
151.03931	13.1
161.02333	5.7
165.05321	5.3
165.09172	4.7
171.10191	8.0
177.01817	5.3
192.47652	4.1
197.11758	26.6
201.11278	6.7
205.04976	7.3
209.11758	27.7
211.13377	4.8
223.06038	6.3
291.19748	10.9
309.20724	100.0
310.20914	9.6
397.13553	27.1
415.14594	41.4
429.22885	6.0
541.86365	4.5
580.11017	5.2
581.27710	57.2
582.27948	5.5
699.37506	12.5
707.34827	12.6
743.32880	43.3
744.33411	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	743.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54220	6.8
59.01255	68.7
69.26466	28.3
69.26891	55.7
71.01257	30.9
73.02830	15.5
85.02819	17.0
87.00736	15.2
89.02316	13.7
96.95902	19.7
98.19759	15.2
100.65394	7.2
101.02338	21.7
109.02805	10.8
113.02357	10.6
119.04927	14.6
125.02346	11.8
135.04401	11.1
136.05122	8.0
137.02396	10.0
161.04477	10.5
165.05379	8.5
165.09129	10.6
171.10104	14.6
181.04984	10.6
191.05612	9.2
196.03705	11.7
197.11787	34.4
201.11264	12.6
209.11830	26.1
211.13464	9.4
223.06020	9.6
225.11336	10.9
291.19614	14.7
309.20645	100.0
310.21198	9.0
319.78958	7.0
324.77176	9.5
397.13483	37.7
415.14694	46.6
698.38214	11.6
699.38599	40.8
707.34644	21.2
743.32959	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01252	4.2
65.00196	0.3
71.01254	4.1
71.14655	0.6
72.99182	0.7
73.02820	1.1
75.00742	0.5
83.01266	0.5
83.55853	0.3
85.02827	2.3
87.00754	1.0
88.23800	0.4
89.02324	2.4
89.03852	0.5
91.05400	0.5
93.03345	1.1
94.45273	0.2
94.69703	0.2
95.01289	0.5
96.95884	1.0
97.02792	0.3
98.03602	0.2
99.00752	1.5
101.02333	2.2
108.02039	0.3
109.02838	0.5
111.00787	0.4
111.04408	0.4
112.02119	0.3
113.02323	3.1
117.03367	0.8
119.01318	0.6
119.03388	0.7
119.04924	0.9
121.02842	10.1
123.04426	0.5
123.08081	0.6
125.02319	0.7
127.03845	0.2
131.03394	0.4
132.02061	1.0
134.03683	0.5
135.04428	1.4
137.02322	0.5
138.06784	0.5
141.09102	0.6
143.03418	0.4
147.00766	0.4
147.04404	3.3
149.02347	64.7
150.02681	2.6
150.06761	0.4
151.03905	0.7
152.01068	0.6
153.09143	0.7
158.97612	0.2
161.04463	1.0
163.03938	1.3
164.04701	50.9
165.01826	0.4
165.05063	1.9
165.09091	0.3
167.03314	0.3
169.04984	0.6
171.10222	0.3
175.00278	4.4
179.03374	0.3
179.07043	4.6
187.09689	1.0
190.02641	10.4
191.03142	0.5
191.05583	0.7
193.01357	1.5
193.04974	0.5
196.03825	0.4
204.66537	0.3
205.05003	19.0
206.05417	0.8
208.03728	5.8
209.04131	0.4
217.10808	0.8
223.06067	100.0
224.06396	5.4
225.14839	0.4
243.15973	3.3
310.18457	0.2
405.21332	1.2
519.24420	5.9
520.24664	0.7
537.25537	5.0
538.25684	0.4
695.81470	0.3
699.36047	0.9
725.37762	0.4
743.30554	5.7
744.31537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.6
57.03325	0.8
58.29887	0.4
59.01253	100.0
60.01593	1.0
71.01256	11.3
71.57874	0.6
73.02816	4.1
73.03189	0.4
73.12373	0.4
75.00764	0.4
78.57377	0.4
83.01276	1.6
85.02832	5.1
87.00746	0.7
89.02341	1.4
95.01272	1.0
96.95924	0.8
99.00775	1.2
101.02325	8.7
102.02643	0.5
107.04906	0.4
109.02905	0.5
113.02327	3.6
138.06772	0.6
143.03423	0.6
153.09123	1.1
159.02893	0.9
161.04468	4.9
191.05527	0.5
196.03821	0.4
196.82080	0.5
225.14922	3.8
269.06049	0.5
269.10339	10.8
270.10727	0.9
307.36200	0.5
311.11371	6.5
312.11719	0.7
329.67221	0.5
358.24167	0.4
387.20319	1.5
498.45114	0.5
555.50897	0.4
758.91455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27752	0.4
57.03333	0.9
59.01253	1.8
60.99181	1.1
67.01768	3.0
69.03323	1.0
70.74760	1.3
71.01254	1.3
81.03350	0.5
83.04903	0.6
85.02827	5.6
87.00751	4.9
93.03340	21.9
99.00769	0.8
109.02843	0.6
111.04419	3.0
111.05094	0.5
113.02302	0.5
119.04922	5.1
125.02330	0.5
127.03902	1.4
129.01802	1.0
145.02893	1.3
155.03392	0.6
163.03922	7.3
173.03064	0.9
173.04480	10.1
174.04674	0.5
191.05553	100.0
192.05905	3.7
287.06720	1.1
305.15424	0.4
327.04056	0.4
337.09302	29.6
338.09546	2.8
580.68323	0.5
757.29510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
59.01263	7.1
71.01247	7.1
71.04896	2.4
73.02796	1.9
85.02831	2.2
89.02316	2.0
95.04931	1.2
96.95903	1.3
97.02825	2.4
99.00774	7.2
101.02328	4.3
109.06462	3.0
113.02293	3.2
125.09610	4.7
143.03371	2.6
161.04388	1.9
163.11177	5.6
164.58156	1.3
171.10179	23.6
181.12320	7.0
185.11757	2.7
197.11778	1.8
199.13356	6.3
201.11256	13.4
207.10223	19.5
208.10330	1.4
215.12819	1.8
225.11282	39.7
226.11649	2.3
235.08188	4.3
243.12309	5.9
253.09337	8.5
277.21695	1.7
279.23288	100.0
280.23611	9.6
461.20334	5.4
492.70554	1.3
723.42975	5.8
741.44305	67.4
742.44495	11.5
770.87219	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	741.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90416	0.8
55.01753	0.9
57.03334	1.1
59.01249	6.9
59.49036	0.7
66.61906	0.8
70.16032	3.5
71.01263	8.6
71.04897	2.1
73.02796	1.9
85.02804	2.1
89.02335	4.2
97.02830	3.9
97.06477	1.8
99.00761	13.1
101.02329	3.3
109.06466	1.4
110.03620	1.0
113.02324	1.8
123.08017	0.9
124.47227	0.8
125.09642	5.9
127.11211	1.0
142.02603	0.9
157.95255	0.8
163.11165	6.6
171.10208	7.2
179.10606	1.1
181.12268	16.1
185.11711	1.4
194.85486	0.9
197.11771	1.5
199.13344	27.3
200.13673	1.2
201.11220	3.0
207.10205	32.5
208.10625	1.3
225.11281	64.5
226.11575	2.6
235.08223	1.6
243.12341	12.5
253.09358	4.0
279.23297	51.1
280.23663	4.5
461.20215	11.0
462.20773	1.2
479.21228	3.5
723.43250	6.3
741.44293	100.0
742.44586	19.9
758.24017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14560	1.4
59.01257	7.4
61.98708	9.7
71.01270	6.6
73.02841	1.2
80.02549	1.2
81.03339	1.7
83.04903	4.0
84.02033	1.3
87.00756	44.7
88.00285	11.8
89.02325	3.3
97.06485	1.3
98.19651	2.7
101.02346	5.7
113.02357	3.3
125.09595	2.5
127.11171	2.3
148.14134	1.0
151.95996	1.3
161.04492	2.8
163.11165	3.1
165.12820	2.2
171.10172	7.5
172.10516	2.3
191.80284	1.1
199.13380	1.5
201.11264	47.7
202.11635	3.1
209.11781	100.0
210.12088	4.9
211.13420	1.3
227.12898	11.9
230.43050	1.4
235.08160	4.7
253.09254	16.3
255.23392	1.5
277.21722	76.0
278.22040	10.9
279.22485	2.2
281.24915	2.8
295.22742	2.8
298.46664	1.5
311.22147	1.8
386.46988	1.5
397.13446	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74771	0.7
58.00472	1.2
59.01253	6.3
60.71250	0.9
70.64582	2.7
71.01264	4.7
73.02858	1.3
81.03346	0.9
83.04898	4.5
85.02856	1.1
89.02316	2.9
101.02303	4.8
103.34870	0.9
113.02333	2.3
125.09568	2.4
127.11168	2.8
148.49315	1.1
155.10672	1.2
163.11203	2.1
165.09184	1.0
165.12767	1.5
171.10197	3.9
172.10503	1.2
199.13313	1.3
201.11269	42.5
202.11629	1.9
207.10188	1.5
209.11777	87.6
210.12135	5.0
211.13316	1.6
225.11320	2.2
226.11600	1.7
227.12842	11.5
235.08180	7.7
243.27734	0.9
253.09247	15.9
270.62924	0.9
277.21725	100.0
278.22101	8.5
279.22427	1.1
295.22772	3.2
344.77710	1.0
404.72510	0.9
437.20578	1.2
461.32230	1.0
513.30554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14724	1.9
59.01252	4.8
69.03320	2.0
70.82300	3.9
70.82690	3.7
71.01254	7.4
72.09842	2.1
72.99178	1.7
73.02830	2.2
78.95801	2.3
84.83478	1.7
85.02865	1.6
97.02814	2.3
97.06468	2.3
99.00739	4.6
101.02323	5.3
109.06436	3.5
113.02318	2.6
125.09601	4.5
150.17517	2.2
161.04477	2.0
163.11217	5.1
171.10190	39.3
172.10550	2.5
181.12206	3.3
197.11703	7.7
199.13319	5.6
201.11304	14.9
207.10214	13.8
207.47430	2.0
215.12900	3.5
225.11292	31.8
226.11646	2.1
235.08105	6.2
243.12329	3.4
253.09210	9.7
277.21930	3.1
279.23285	100.0
280.23639	12.0
389.91000	1.8
443.19211	2.5
461.20398	4.0
656.21429	2.3
723.42822	3.9
741.44397	27.8
742.43945	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	741.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29103	1.2
57.03315	2.1
59.01250	12.6
59.26033	1.2
59.94830	1.3
60.46110	1.2
61.98697	3.8
69.03325	1.4
69.78010	7.8
71.01258	7.5
81.03310	1.7
83.04903	2.3
85.02802	3.0
87.00718	1.7
89.02306	4.0
95.04879	1.5
97.02804	1.8
97.06460	5.0
98.20573	1.2
101.02340	7.4
109.02781	1.3
111.08020	2.7
113.02308	5.1
135.04420	1.5
151.11188	20.4
161.04439	1.8
165.12764	2.1
169.12251	84.8
170.12572	4.1
171.10184	3.7
183.13754	1.4
191.05443	2.0
195.10231	3.2
197.11743	17.2
198.12053	1.5
199.09636	1.7
209.11777	14.1
210.12120	3.5
211.13379	19.9
212.13744	1.9
213.11284	15.0
227.12874	3.1
235.08055	3.0
253.09265	10.0
253.86981	1.3
277.21710	2.1
291.19635	7.3
293.21210	2.0
295.22803	5.1
307.19101	1.2
309.20700	10.2
311.22324	6.1
312.22586	2.3
327.21732	2.0
431.19260	4.8
447.22131	1.2
449.20041	6.3
478.99561	1.3
741.40710	100.0
742.41241	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	741.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65620	0.4
55.59724	0.4
59.01250	1.4
61.98705	1.4
71.01277	0.5
77.03829	2.4
83.04901	0.4
85.17170	0.4
89.02319	0.6
92.43214	0.4
93.03339	0.4
96.95882	0.7
100.80741	0.4
112.41418	0.4
121.02848	100.0
122.03168	3.1
137.02322	0.4
137.69896	0.4
165.01849	68.3
166.02156	1.8
171.10246	0.8
180.05742	1.0
181.06549	2.8
185.11801	0.5
191.03447	1.7
195.13864	0.5
197.11778	1.0
207.10074	0.6
209.11757	3.8
210.12091	1.6
211.13344	3.7
212.13692	1.1
213.14879	0.9
225.05508	1.8
227.12758	0.8
229.37326	0.6
253.09262	1.4
292.20044	0.6
293.21219	1.3
294.21561	1.9
295.22412	0.5
309.20752	1.2
310.20950	0.5
311.22098	1.0
313.07214	1.7
357.06134	9.7
358.06406	0.9
626.84113	0.4
741.14453	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	741.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	21.0
71.01247	9.9
71.59156	3.2
71.59533	2.9
73.02816	4.9
80.96422	2.9
83.01244	2.3
85.02859	3.3
87.00722	3.3
87.81584	2.1
89.02306	2.8
96.95873	6.7
97.02861	2.1
101.02331	7.4
113.02367	5.9
116.44403	2.7
123.04404	2.3
125.02345	3.7
135.04370	4.6
136.05203	31.8
137.02367	3.1
141.41994	2.4
149.05965	8.4
150.06769	17.8
151.03931	3.1
162.06750	2.6
163.07553	6.7
164.08362	3.9
165.05493	3.2
165.09128	18.8
170.45560	2.6
173.05901	3.2
179.03435	2.7
179.10657	2.3
196.03699	3.7
207.10245	2.4
209.11917	3.0
210.78281	2.3
223.06047	4.0
298.57111	2.5
327.21829	12.7
353.08096	2.4
361.04871	2.3
447.31281	5.0
475.30634	2.9
492.30652	5.4
493.31805	25.5
494.32153	3.6
602.09662	2.7
655.36450	3.4
697.38062	100.0
698.38403	16.4
741.34229	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	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79622	0.2
57.72307	0.2
59.01257	1.6
61.98705	100.0
62.98399	0.2
70.11374	1.0
71.01258	1.3
72.01574	0.3
72.99223	0.2
78.85415	0.2
83.01304	0.2
85.02831	0.2
87.00789	0.4
88.62296	0.2
89.02298	1.0
97.02879	0.2
97.32112	0.2
101.02347	0.8
102.02670	0.2
109.13522	0.2
113.02380	0.4
125.02348	0.4
131.71667	0.2
165.85628	0.2
171.10252	0.3
209.11746	0.9
210.12199	0.5
211.13322	2.4
227.12921	0.2
232.28661	0.2
235.08345	0.3
237.08815	0.3
238.09106	0.2
253.09370	0.3
279.23322	1.4
280.23660	1.5
281.24066	0.8
282.24292	0.5
293.21292	1.1
294.21783	0.6
305.08734	0.2
306.35620	0.2
311.22293	0.9
328.86038	0.2
397.13623	0.7
398.13809	1.2
399.13989	2.2
400.14328	0.9
416.15161	0.3
417.15210	0.8
418.15610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40976	0.1
59.01257	1.0
61.98704	100.0
62.98398	0.2
71.01266	1.0
72.01576	0.1
73.02800	0.1
73.70587	0.1
85.02850	0.2
87.00761	0.2
89.02317	0.9
90.02660	0.2
97.02873	0.2
98.19773	0.3
101.02331	0.6
102.02665	0.2
106.91264	0.1
113.02349	0.4
118.30470	0.1
119.03452	0.2
123.93567	0.1
125.02332	0.2
126.02674	0.1
134.48170	0.1
143.03427	0.2
154.32430	0.1
172.84483	0.1
183.13927	0.1
197.11859	0.4
209.11780	0.2
211.13333	2.1
212.13754	0.6
227.12846	0.2
235.08174	0.2
236.08638	0.2
253.09303	0.3
264.29526	0.1
279.23236	1.1
280.23605	1.4
281.23920	0.6
282.24078	0.3
292.20032	0.1
295.22858	0.2
309.20810	0.4
310.21048	0.3
311.21725	0.1
377.41553	0.1
397.13403	0.6
398.13760	0.9
399.14044	1.5
400.14230	0.7
415.14459	0.2
416.14938	0.3
417.15207	0.5
418.15448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89433	0.8
55.01755	1.0
59.01253	7.2
61.98722	0.8
63.37799	0.7
68.82757	0.8
69.03330	0.7
71.01250	7.7
71.04901	3.3
71.35961	1.7
71.59916	0.8
73.02820	2.2
75.23502	0.8
83.01254	1.7
85.02799	1.5
87.00769	1.9
89.02303	2.9
97.02820	4.1
97.06458	2.5
99.00771	13.0
101.02346	5.3
109.06493	1.6
110.03629	1.8
113.02319	1.9
123.08061	1.2
125.02330	1.1
125.09631	6.5
127.11152	1.3
137.00453	0.8
142.02594	1.2
145.10049	0.9
161.04501	1.0
163.11197	7.7
171.10199	7.8
174.96117	0.8
178.99907	0.8
181.12285	12.3
197.11818	2.0
197.38281	0.8
199.13341	11.0
201.11246	4.3
207.10225	30.8
208.10558	1.5
209.11804	1.3
211.13319	1.2
225.11288	57.3
226.11627	2.4
235.08235	2.5
243.12424	9.6
253.09273	5.2
277.21735	86.3
278.22061	6.1
279.23273	1.2
443.19180	1.8
461.20181	13.0
479.21414	2.0
721.41528	8.5
722.41656	1.2
739.42755	100.0
740.43164	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	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01672	1.0
55.01745	1.1
57.03320	1.6
59.01252	15.5
59.10712	0.9
63.44117	0.9
69.03328	0.9
70.33661	4.2
71.01251	13.9
71.04881	3.7
72.99182	1.0
73.02838	2.3
78.95023	0.8
82.54458	0.9
83.04896	1.2
83.86970	0.9
85.02811	3.9
87.00749	1.7
89.02316	5.6
95.04894	1.9
97.02849	4.8
97.06473	3.5
99.00760	24.3
101.02319	5.8
109.06486	3.1
110.03597	1.2
112.35712	1.0
113.02319	4.0
119.03391	1.0
123.08006	1.2
125.02365	1.5
125.09622	11.1
127.11143	1.3
135.08032	2.1
142.02638	1.0
143.03479	1.2
153.12805	0.9
155.14255	1.0
161.04488	2.3
163.09982	1.6
163.11201	14.7
171.10170	20.4
172.10585	1.3
179.05484	1.3
179.10732	2.3
181.12260	29.0
183.13838	1.3
197.11737	3.0
199.13319	16.7
201.11267	10.9
207.10210	46.1
208.10524	2.1
209.11728	2.1
211.13289	5.2
215.12897	1.3
225.11282	62.2
226.11615	4.1
228.10681	1.2
235.08064	2.4
243.12344	31.6
253.09309	7.1
277.21716	57.0
278.22116	3.9
281.24789	3.1
291.19635	1.2
293.21210	1.4
295.10477	1.2
309.20688	1.8
397.13300	3.6
461.20386	6.5
479.21277	16.0
721.41760	2.4
739.42700	100.0
740.42932	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09229	1.7
57.03334	1.6
57.12031	1.4
59.01246	10.2
68.17314	1.7
69.30111	16.5
71.01254	15.5
73.02817	2.0
76.77455	1.6
85.02827	3.2
89.02318	4.4
97.02830	4.2
98.02129	1.5
99.00751	16.2
101.02323	5.9
109.06470	5.0
113.02327	3.8
121.19759	1.5
123.08028	1.7
125.09608	6.4
161.08138	1.6
161.09714	1.5
163.11264	8.6
171.10176	25.6
172.10603	2.4
179.10638	1.7
181.10710	2.8
181.12256	19.4
185.11882	1.6
197.11740	3.6
199.13358	23.3
201.11252	12.1
207.10213	42.7
208.10611	2.1
209.11794	6.9
224.84865	1.5
225.11278	77.6
226.11560	3.9
235.08281	3.1
243.12364	13.3
253.09425	7.5
253.11678	1.8
277.21713	82.8
278.22073	6.0
293.21362	1.7
461.20251	16.6
479.21307	5.6
491.51913	1.7
677.76031	1.7
720.03046	1.8
721.41412	6.8
739.42725	100.0
740.43213	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	739.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.9
59.01251	100.0
69.03310	2.7
69.35609	5.4
69.36034	14.9
71.01250	45.3
72.99197	2.8
73.02821	42.5
82.92411	1.6
83.01268	15.9
85.02835	8.4
87.00757	4.1
89.02317	9.9
93.03331	4.0
96.50851	1.8
96.95894	7.7
97.02851	3.1
99.00768	4.1
101.02326	42.2
108.02064	4.7
109.02820	18.5
113.02326	17.8
117.73830	1.9
119.03374	5.6
121.02856	3.2
123.04412	9.0
124.31068	1.9
125.02361	15.8
131.03418	3.0
133.02856	10.1
134.03622	5.7
135.04446	9.8
137.02325	12.8
143.03401	4.7
149.02332	5.2
149.04495	7.8
149.05910	4.2
150.03146	5.6
151.03920	8.5
152.01073	4.1
160.01678	2.3
160.03967	6.0
161.02362	21.0
161.04478	12.8
161.05782	2.8
163.03917	2.1
164.01146	2.3
165.01851	2.2
165.05421	2.3
167.03377	2.2
175.03900	4.6
177.01863	58.1
178.02251	2.7
179.03400	5.7
179.05635	2.0
187.03952	4.0
189.01880	10.0
191.05557	8.4
193.05052	5.5
203.03418	2.6
203.05380	2.0
203.07115	4.2
203.29204	1.9
205.04994	3.9
216.00522	3.1
217.01369	5.8
227.03410	3.6
227.07118	2.1
229.01343	2.8
245.08258	4.3
287.05661	7.2
289.07153	27.6
299.05695	3.1
321.04129	3.1
339.05002	14.4
341.06702	5.4
407.07870	3.0
417.06052	4.0
435.07297	9.3
449.08655	5.4
451.10330	7.1
459.07327	6.8
489.11594	2.3
499.18384	4.6
569.10693	7.2
587.11896	8.5
655.83392	2.1
715.25195	2.2
739.16296	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	739.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
67.01764	2.3
69.53886	7.0
69.54305	2.2
71.01266	3.5
72.99184	1.1
81.03332	1.3
85.02827	10.6
87.00769	5.3
93.03333	21.3
93.68456	1.1
94.03647	1.7
98.19801	2.3
104.83527	1.0
104.84255	1.1
105.03339	1.4
105.85958	1.2
109.02844	2.9
111.04391	3.5
121.02861	4.9
123.04419	9.1
124.01798	1.1
125.02301	2.0
127.03896	2.4
129.01843	1.2
133.02844	2.0
135.04454	6.7
137.02357	4.3
139.03885	6.8
149.02345	7.4
151.03934	2.4
161.02312	1.6
165.01929	1.4
173.04474	14.7
177.01810	5.7
179.03389	2.9
191.05542	100.0
192.05913	3.9
193.01363	15.0
195.02887	1.7
211.02437	1.3
223.04546	3.5
247.04544	1.3
274.31921	1.3
296.24380	1.3
351.07245	4.2
353.08716	6.7
367.06680	4.9
368.07526	1.6
369.08173	9.7
385.07773	16.8
711.14331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57595	2.3
57.03322	18.4
57.27539	2.6
59.01252	13.9
59.61495	2.1
67.26698	2.1
69.32083	17.5
69.32500	7.8
71.01249	8.6
73.02819	2.5
79.79663	2.2
83.01254	5.0
85.02808	8.3
87.00739	3.0
89.02306	5.3
93.03323	5.5
96.95871	6.0
97.02830	3.4
109.02840	33.0
111.00764	3.2
113.02310	3.9
117.03352	2.6
120.01085	3.1
121.02834	4.5
122.03628	3.0
123.04405	15.4
125.02332	100.0
133.02840	10.3
134.03618	5.8
135.04428	23.4
136.01549	2.8
137.02357	16.7
147.04401	3.5
149.02354	6.6
149.06036	3.9
150.02998	3.8
151.03920	16.9
159.04425	3.2
160.04030	4.6
161.01065	3.4
161.02357	45.9
161.05928	3.7
162.03075	8.6
163.03885	5.5
165.01910	3.1
165.05460	4.2
168.18765	2.5
171.21944	2.4
175.03899	6.1
177.00453	4.3
177.01857	48.0
179.03389	10.6
187.03908	6.7
189.01894	23.9
190.02580	10.9
191.03625	5.4
191.05511	28.7
203.03310	5.7
205.05060	3.6
216.00539	5.6
217.01358	10.0
219.02982	5.8
224.33067	2.5
224.39412	2.5
227.03456	3.5
227.07030	3.0
228.04185	2.4
229.01250	4.1
229.04945	3.6
231.02963	4.5
236.15314	2.5
240.04153	2.6
245.04507	9.5
245.08264	3.9
253.05031	4.8
255.02998	3.3
255.06543	3.3
256.03854	2.9
269.04767	4.2
279.03073	2.5
280.03683	3.1
281.04462	16.9
282.05194	4.1
287.05624	15.9
289.07233	13.7
297.07596	6.1
298.04477	3.5
299.05539	9.2
308.03183	6.9
323.05704	2.8
326.04272	3.7
339.04910	7.4
339.08594	2.7
340.01901	3.2
341.06601	70.4
342.06665	5.2
375.86044	2.5
381.06235	3.1
391.08353	11.7
393.06149	3.1
404.26111	2.6
407.07758	5.4
433.09033	8.2
435.07309	18.4
449.08435	3.7
451.10486	13.4
459.07141	33.3
460.08099	4.4
461.08612	7.0
477.08228	4.7
503.09781	18.7
503.18915	4.4
543.13031	5.7
547.17719	5.8
569.10864	55.2
570.11298	6.6
587.11926	23.9
611.12195	3.1
613.13568	6.4
739.15509	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	739.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
69.60544	2.6
69.60968	4.2
70.48381	1.0
79.64467	0.8
81.03322	1.5
83.01266	2.7
89.03854	3.2
93.03338	2.3
95.04925	2.2
97.02857	3.1
107.04903	0.8
107.21312	0.8
107.87944	0.8
109.02842	25.4
117.03364	1.4
121.02881	2.8
123.04404	10.9
125.02340	12.5
133.02866	11.9
135.04446	1.2
137.02354	18.0
137.03435	1.0
139.03952	2.2
145.02876	1.2
148.01608	1.1
149.02321	4.2
150.03136	2.7
151.03912	8.6
159.04453	3.6
161.02364	22.1
161.05959	2.6
162.03093	1.1
163.00301	1.3
163.03915	2.0
164.01068	2.7
165.01825	2.3
167.03397	1.3
175.03957	2.7
175.07597	1.2
176.01076	1.6
177.01860	100.0
178.02310	2.8
179.03419	3.3
184.05243	1.0
185.02060	0.8
185.05989	1.2
187.03975	3.3
188.04689	2.8
189.01863	8.6
194.83218	1.1
201.01788	1.7
201.05496	1.2
202.06268	1.1
203.03441	4.0
203.07036	6.1
205.05000	5.5
211.91261	0.9
215.03378	1.6
216.00612	3.4
217.01456	4.2
221.08110	2.0
224.04538	1.0
225.05444	1.0
227.03482	6.5
227.07085	2.1
229.01424	5.4
229.05057	1.1
239.03418	1.8
241.05017	1.0
245.04480	2.9
245.08162	8.3
247.06116	1.2
253.05179	1.1
255.03043	1.3
255.06610	1.6
257.04630	1.5
259.29590	0.9
262.76797	1.1
265.05048	0.9
271.05997	1.1
279.02997	1.6
281.04666	4.1
283.06155	1.0
287.05624	9.4
289.07193	47.4
290.07489	2.2
293.04483	1.9
295.02130	1.1
295.05881	1.1
297.04080	1.7
299.05606	2.4
307.02515	1.9
308.03238	1.6
314.05493	1.0
321.04007	5.5
325.03470	3.5
329.06497	1.1
337.03513	1.2
337.07312	2.2
339.05096	32.3
340.05292	2.3
391.08331	1.4
415.07947	1.2
417.05988	5.9
433.09308	2.1
435.07092	15.8
436.07550	2.2
449.08813	16.1
450.09103	2.4
451.10440	8.8
459.07156	9.2
460.07574	1.3
477.08408	3.4
543.13367	1.2
546.07141	1.0
569.10870	9.3
570.11493	1.5
587.11951	23.3
588.12689	2.5
607.35065	1.1
629.12964	2.0
721.14691	1.2
739.16846	13.2
740.16949	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	739.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02246	0.8
57.03316	2.3
59.01240	1.1
60.52180	0.8
69.53736	8.1
81.03349	2.2
83.01237	4.4
89.03831	4.1
93.03323	2.7
95.04868	2.0
96.95849	1.1
97.02836	3.1
109.02837	25.3
117.03359	1.2
121.02832	2.2
123.04405	11.6
125.02340	15.3
133.02864	11.7
135.04402	2.1
137.02342	19.0
139.03886	2.3
145.02849	1.4
149.02327	4.4
150.03131	2.6
151.03920	13.3
159.04408	3.8
161.02342	23.9
161.05916	2.1
162.03091	2.9
163.00244	1.0
163.03853	0.9
164.01019	2.6
165.01839	2.7
175.03931	3.1
175.07588	1.4
176.01082	2.3
177.01849	100.0
178.02187	4.0
179.03384	4.4
183.04337	1.0
187.03929	3.5
188.04649	3.4
189.01869	10.1
201.01808	1.2
201.05533	1.7
202.06219	1.9
203.03522	5.1
203.07051	7.6
205.04990	7.1
211.03925	1.3
212.04564	1.1
215.03459	2.4
216.00545	4.4
217.01379	5.9
221.08212	1.6
227.03418	7.4
229.01379	4.7
231.02914	1.3
239.03494	1.9
241.05058	1.3
245.04480	2.3
245.08162	11.8
247.06099	1.9
253.04999	1.7
255.02995	2.0
255.06644	1.1
257.04773	1.1
269.04572	1.7
277.05051	1.4
281.04541	4.2
287.05554	9.7
289.07172	37.0
290.07538	2.7
293.04520	1.2
295.05869	1.4
297.04105	1.6
298.69635	0.9
299.05551	1.5
307.02435	1.8
308.03146	2.0
309.03839	1.3
321.03958	4.7
325.03519	2.0
337.07056	1.3
339.05084	27.7
340.05286	1.2
341.06491	1.6
387.95328	1.0
407.07486	1.6
417.06036	3.9
433.09122	2.4
435.07043	9.4
449.08813	11.7
451.10214	7.0
459.07324	9.0
460.07117	1.1
477.07751	1.4
569.10980	8.0
570.11316	1.5
587.11951	17.0
588.12128	2.6
597.30072	1.1
629.13727	1.7
739.16809	8.7
740.17346	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	739.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92832	0.6
57.03323	2.7
69.53226	5.3
81.03329	2.3
83.01259	4.2
85.02866	0.7
89.03838	4.4
89.46039	0.6
91.01799	1.4
93.03336	2.0
95.04927	2.3
96.95853	1.1
97.02813	3.7
107.04902	0.9
108.02041	1.9
109.02837	30.5
117.03396	1.2
121.02854	3.0
122.03638	1.2
123.04412	11.6
125.02346	14.2
126.02649	1.1
133.02850	15.2
135.04433	2.8
137.02348	19.4
139.03894	3.1
146.03716	0.7
147.04390	1.3
148.01695	0.7
149.02359	5.4
150.03131	3.3
151.03906	8.8
159.04420	3.9
160.05199	1.4
161.02350	25.9
161.05966	4.2
162.03104	2.1
163.00354	1.3
163.03897	1.8
164.01062	2.5
165.01779	2.6
167.03427	1.0
173.06013	1.2
174.03249	1.1
175.03920	3.8
175.07555	1.5
176.01079	2.5
177.01855	100.0
178.02231	4.1
179.03412	4.6
187.03903	4.3
188.04704	3.1
189.01839	9.5
199.03815	0.8
199.07646	0.9
201.01945	1.5
201.05519	2.4
202.06271	1.3
203.03424	3.0
203.07068	8.5
205.01413	1.7
205.05008	6.2
211.04034	1.1
212.04677	1.3
215.03487	1.9
216.00598	4.0
216.62469	0.8
217.01352	4.0
221.08131	2.2
227.03513	6.4
227.07068	2.1
228.04169	0.8
229.01393	4.8
239.03528	2.3
241.05217	1.1
243.03026	0.9
245.04532	3.0
245.08192	9.6
246.08656	0.9
247.06055	0.9
249.05492	0.9
253.05174	1.1
255.06564	0.9
257.04578	1.0
265.04980	0.9
269.04568	1.6
275.02173	0.7
279.02948	1.8
280.03711	0.8
281.04596	3.0
283.05930	1.3
287.05597	9.9
289.07178	46.6
290.07355	4.0
293.04568	1.7
295.06058	1.1
297.04227	1.0
299.05664	2.6
307.02524	1.7
308.03250	2.1
309.03961	0.8
321.03998	4.1
323.67545	0.7
325.03717	3.2
337.07138	1.3
339.05099	29.4
340.05505	1.5
407.07364	1.7
409.09277	0.7
417.06064	5.1
433.09225	2.2
435.07162	10.2
436.07791	1.7
449.08817	13.1
451.10361	8.3
452.10529	1.1
459.07172	6.4
464.75168	0.7
477.08371	1.8
569.11041	6.8
570.11139	0.8
587.11945	16.4
588.12311	2.2
611.11731	1.0
629.12939	2.1
630.13403	0.9
739.16583	11.5
740.17523	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	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14633	0.1
58.66153	0.1
59.01252	1.2
60.01584	0.1
61.98704	100.0
62.98417	0.1
70.90562	0.2
71.01260	0.9
72.01582	0.2
74.17330	0.1
77.35374	0.1
83.01259	0.1
85.02858	0.2
87.00773	0.1
89.02303	0.7
90.02667	0.1
97.02872	0.1
101.02349	0.7
113.02349	0.3
119.03381	0.1
125.02322	0.3
161.04440	0.1
171.60385	0.1
209.11800	0.8
211.13374	0.3
235.08315	0.2
236.08517	0.1
253.09276	0.2
255.09361	0.1
277.21719	0.9
278.22079	1.3
279.22543	0.4
280.22684	0.2
283.09344	0.1
293.21289	0.4
397.13364	0.5
398.13724	0.8
399.13980	1.3
399.18881	0.1
400.14301	0.7
415.14725	0.2
416.15100	0.2
417.15155	0.5
418.15634	0.2
419.16626	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76021	0.1
52.07134	0.1
59.01254	1.3
59.04811	0.1
60.01583	0.1
61.01700	0.1
61.98703	100.0
62.98405	0.2
68.09191	0.1
71.01258	0.9
72.01589	0.1
72.99189	0.1
73.01676	0.1
73.02841	0.1
81.03313	0.1
85.02843	0.2
87.00759	0.2
89.02315	0.7
90.02661	0.1
91.02758	0.1
97.02829	0.2
101.02335	0.8
102.02665	0.1
107.86900	0.1
113.02330	0.3
119.03421	0.1
125.02351	0.3
126.02689	0.1
140.41505	0.1
143.03441	0.1
161.04478	0.2
173.63268	0.1
176.60452	0.1
179.05667	0.1
190.17174	0.1
191.17920	0.1
199.13396	0.1
202.87029	0.1
207.10158	0.1
209.11765	0.3
211.13356	0.3
212.13680	0.1
227.12756	0.1
229.42003	0.1
235.08324	0.2
236.08488	0.1
237.08719	0.1
253.09377	0.1
277.21744	1.0
278.22073	0.9
279.22318	0.6
280.22742	0.2
289.18317	0.1
290.18588	0.1
293.21271	0.2
309.20465	0.1
397.13397	0.5
398.13864	1.0
399.14072	1.3
400.14224	0.7
415.14377	0.1
416.15173	0.2
417.15140	0.6
418.15659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41437	0.7
55.79141	0.7
55.99304	0.7
57.03321	1.0
59.01248	6.0
69.03329	4.6
70.28465	0.7
71.01264	5.4
71.04888	1.4
73.02820	1.5
76.49714	0.6
82.49394	0.6
83.01271	1.2
83.04892	0.8
85.02818	1.8
87.00785	1.1
89.02302	1.8
97.06460	0.8
101.02316	5.0
113.02290	1.6
119.03395	0.9
122.14858	0.8
123.14352	0.8
125.09609	2.1
151.11198	2.8
153.12767	1.1
161.04457	1.2
161.09650	3.7
169.12239	6.6
179.10695	7.5
180.11020	0.8
197.11771	47.0
198.12129	2.0
205.53194	0.9
223.09679	1.3
229.28545	1.2
235.08267	1.7
241.10791	2.4
253.09256	3.0
277.21722	67.3
278.22070	4.5
459.18854	1.2
477.19614	1.6
524.89099	0.7
608.82935	0.7
737.41174	100.0
738.41498	18.5
738.51575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03323	1.3
59.01250	6.2
69.03332	3.7
69.28953	3.1
69.29375	1.7
71.01254	6.0
71.04910	2.4
73.02825	1.7
76.74683	0.4
83.01247	0.8
83.04881	0.9
85.02830	1.8
86.78044	0.5
87.00764	1.1
89.02321	2.5
90.61708	0.4
92.32091	0.5
95.04886	0.6
97.02788	0.6
99.00741	0.7
101.02330	3.7
113.02351	1.9
123.08046	1.1
125.09607	2.4
137.09642	0.5
151.11139	2.4
153.12769	1.7
161.04445	1.3
161.09624	2.9
168.56462	0.4
169.12241	2.6
179.10704	7.3
180.11067	0.5
197.11768	100.0
198.12083	4.9
205.08626	0.8
207.10245	0.5
208.80019	0.5
212.21194	0.5
223.09700	2.9
241.10764	4.5
253.09338	4.3
277.21729	35.3
278.22153	3.0
293.21338	0.7
328.92300	0.5
459.18686	1.0
477.19882	3.5
478.19235	0.7
719.41254	0.6
737.41156	95.4
738.41479	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.3
59.00986	2.7
59.01257	29.6
69.03320	3.0
69.42385	1.8
70.43513	1.7
71.01261	19.6
72.99165	2.3
73.02833	15.5
83.01235	3.0
85.02834	6.7
87.00760	2.1
91.05441	4.1
93.03365	2.4
96.95877	7.4
99.00752	8.7
101.02329	8.0
105.55143	1.8
108.02005	2.7
109.02848	12.8
113.02330	9.6
119.04901	3.3
121.02866	13.9
122.03620	2.1
123.04392	2.3
124.01575	2.2
125.02369	4.7
127.67062	2.1
135.04439	28.5
136.01578	78.6
137.02362	4.3
140.35359	2.1
143.03415	2.5
147.04472	3.3
150.03145	2.6
151.03935	100.0
152.04272	4.0
159.04459	2.4
159.92337	2.0
161.02345	2.2
161.04524	3.1
163.03917	3.7
167.03320	2.2
173.05939	2.5
175.03932	4.6
175.07590	2.5
176.04695	2.8
177.01793	3.5
177.25427	1.9
189.05521	3.9
191.05537	10.7
191.07103	4.5
193.04997	2.1
203.07053	4.0
216.07845	9.7
217.08546	3.8
231.10194	3.2
243.10287	3.7
281.94299	2.2
288.53745	1.9
302.55582	2.2
321.11304	2.7
327.12405	8.4
339.12424	5.2
342.11127	6.1
343.11777	3.0
353.13980	27.3
357.13443	86.6
358.13724	6.1
399.18210	1.9
449.23724	2.1
515.19159	10.0
533.19849	2.6
575.21246	9.5
633.21442	3.4
651.22955	20.0
675.23077	3.5
693.23914	26.5
694.24512	4.3
702.92407	2.3
737.26495	4.8
747.74396	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.6
59.01257	40.6
61.98705	36.1
62.32212	2.0
69.03332	3.9
70.68433	1.9
71.01254	34.4
71.58115	3.3
73.02826	9.1
75.00775	2.3
80.45092	2.0
81.03320	3.0
83.01266	4.0
85.02821	12.1
87.00764	20.2
89.02316	27.4
95.01292	3.8
95.98653	1.8
97.02840	5.4
97.06458	2.6
99.00747	3.0
101.02323	36.1
103.64139	1.9
110.18144	2.0
113.02344	17.5
116.53328	2.0
119.03404	5.8
121.02839	2.6
125.02325	18.8
135.04482	3.7
143.03432	6.0
161.04478	8.7
179.05537	6.5
207.10320	2.2
209.11806	6.9
211.13405	3.4
221.06683	1.9
221.16621	1.8
225.11392	3.0
235.08209	17.9
251.04378	1.9
253.09241	12.0
257.08209	3.0
277.21725	100.0
278.22098	9.7
287.07828	5.4
305.08746	6.7
314.07031	1.9
323.09790	4.4
339.12616	2.5
395.18152	3.1
397.13510	79.1
398.13800	5.8
411.18088	4.6
415.14569	60.0
416.14966	4.4
683.61975	2.3
735.40656	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
59.01253	21.7
62.16467	1.1
69.03329	1.4
71.01254	15.2
72.99187	1.0
73.02821	11.2
83.01279	4.3
85.02836	6.8
89.02338	4.2
91.05420	3.6
93.03351	2.3
96.17224	0.9
96.95887	5.1
97.02845	1.6
99.00761	7.4
101.02323	8.9
108.02094	2.0
109.02857	12.4
113.02327	10.7
118.19521	1.1
119.04939	3.1
119.05873	0.9
121.02852	11.9
123.04462	1.6
125.02347	3.5
129.93275	1.2
131.03499	1.2
132.52333	1.3
134.03610	2.1
135.04419	23.5
136.01564	70.5
137.02245	3.6
147.04449	2.7
149.02328	2.9
149.06041	2.0
151.03918	100.0
152.01038	2.4
152.04276	2.6
159.04454	2.0
160.03987	1.9
160.05197	1.1
161.02414	1.8
161.04546	2.9
165.05559	1.3
167.03415	2.3
175.03949	3.7
175.07504	1.1
176.04678	2.7
177.01891	3.0
177.05460	2.7
179.03436	1.3
187.04033	1.5
188.04932	1.2
189.05505	3.0
190.06355	2.0
191.05551	7.3
191.07112	3.1
203.07138	1.8
205.08734	1.6
215.03069	1.2
215.07053	2.2
216.07869	6.9
217.08553	5.5
228.07851	1.3
231.10277	4.4
243.10243	2.2
267.06726	1.0
312.10239	2.0
313.24234	1.1
327.12045	6.3
339.12311	4.0
342.11139	5.7
353.13934	24.6
354.14377	2.4
357.13422	68.0
358.13712	6.4
413.97507	1.5
515.19391	6.8
533.20807	1.6
545.14081	1.6
575.21539	8.2
633.22070	2.6
651.22870	11.7
652.23468	1.3
675.22778	1.4
693.24017	22.5
694.24591	3.1
737.26343	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	735.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75236	3.5
57.03335	4.2
57.40842	3.4
59.01257	48.1
69.76690	24.8
71.01256	29.0
73.02846	17.4
83.01259	6.9
85.02834	9.8
87.00748	5.6
89.02323	20.3
93.03329	17.8
95.01253	4.7
95.20069	3.5
96.95865	21.1
98.20558	3.7
99.00728	18.6
101.02323	21.6
109.02814	4.1
113.02322	17.3
119.04914	100.0
119.05731	6.6
120.05227	4.7
121.02869	7.4
124.53815	3.3
125.02340	8.8
135.04395	8.4
137.02394	6.2
140.14258	3.4
149.02356	5.4
149.04483	5.2
150.03127	14.6
151.03807	3.6
161.02318	4.7
161.04527	9.4
162.03125	6.0
175.03925	8.5
177.05493	4.5
186.32581	3.6
187.07549	18.4
189.05479	4.2
190.06284	5.2
191.05519	14.0
195.06552	3.5
201.09193	12.3
203.07042	30.8
204.07797	3.6
205.08647	68.1
215.07080	23.5
219.06525	8.2
219.10178	8.7
221.08095	21.6
232.07336	12.1
233.08186	56.5
235.09738	35.9
241.05063	3.7
245.08423	5.2
298.54135	3.8
307.13382	35.3
321.11298	4.5
325.14447	13.3
339.12424	58.9
340.12711	5.4
354.14697	31.4
355.15381	10.3
366.54037	3.8
397.16617	4.1
409.15314	6.8
487.19925	15.3
529.20825	47.9
530.21930	5.4
539.17590	19.2
559.20673	7.8
571.20288	53.9
572.21075	8.4
588.66217	4.0
631.23706	8.7
649.25043	11.6
691.25897	34.7
692.26379	7.2
735.29523	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	735.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53647	1.0
59.01253	18.6
65.03828	3.2
71.01263	7.3
71.59094	1.1
72.99194	1.5
73.02809	4.1
77.74802	1.1
85.02828	3.2
89.02331	4.3
91.05412	14.0
93.03343	4.1
94.74229	1.1
96.95897	5.3
99.00772	4.3
101.02315	2.9
103.34019	1.1
108.02060	2.3
109.02835	33.0
113.02328	3.7
119.04895	2.4
121.02843	64.2
131.03333	1.5
133.02876	3.0
134.03622	5.6
135.04419	100.0
136.01515	1.5
136.04752	3.1
137.02361	4.4
147.04433	18.6
149.05902	2.0
150.03125	3.5
151.03920	2.7
156.02763	1.0
157.10136	2.5
161.02338	3.0
161.04539	1.7
161.06013	1.9
162.03162	8.3
163.03886	1.4
175.03952	2.7
176.08359	2.5
177.01927	1.3
178.02559	1.6
179.03470	1.9
179.07101	1.4
189.09167	4.3
191.05481	1.5
191.07054	3.4
192.07761	2.3
193.08710	1.9
194.02048	2.0
203.07115	3.2
203.10703	1.7
204.07962	7.3
205.08678	12.5
206.09216	2.5
207.10124	1.7
209.11888	1.2
217.08649	63.9
218.09178	6.2
219.10220	23.4
220.10733	1.3
229.08679	10.1
230.09283	3.9
232.11028	13.3
233.11630	3.7
244.10999	1.2
245.11711	6.0
266.13522	1.4
321.11252	2.3
337.10629	1.6
339.12341	10.3
346.06979	1.3
354.14694	14.8
355.15250	4.7
355.24960	1.3
379.15540	1.4
437.18176	1.6
439.18179	2.0
523.18146	1.4
537.21204	3.0
543.21014	1.8
555.20782	18.9
555.28534	1.9
556.21399	2.3
559.21320	1.5
569.22601	8.5
581.22546	1.4
631.24078	3.8
649.25122	7.1
690.30725	2.4
691.25708	60.1
692.26428	10.7
734.12384	1.2
735.37726	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	735.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	14.4
59.63732	1.1
62.41661	1.2
65.03825	2.4
66.06991	1.1
67.01792	1.7
71.01262	7.5
71.59399	1.9
73.02837	3.2
78.95794	1.4
83.01286	1.4
85.02816	2.8
87.00735	2.0
89.02320	3.9
91.05406	9.9
91.66839	1.2
93.03354	4.6
95.01281	1.4
96.95918	8.8
99.00747	5.9
101.02336	4.7
109.02836	40.6
109.06570	1.2
109.64594	1.3
113.02322	5.9
119.03391	2.2
119.04893	2.6
121.02850	43.3
123.04427	1.5
125.02328	2.4
133.02843	2.2
134.03648	1.8
135.04419	100.0
136.01588	2.3
136.04715	2.8
137.02339	2.7
147.04425	16.8
149.02351	13.6
150.03046	1.7
151.03873	2.4
161.02466	2.2
162.03175	1.6
163.03888	4.6
163.07697	1.6
164.04692	11.3
175.03937	5.3
175.07568	1.3
179.07111	2.1
185.06117	1.3
189.05460	1.6
189.09108	3.3
190.02560	1.7
191.05539	3.1
191.07088	12.5
192.07719	3.7
193.01820	2.0
196.03781	1.4
201.09161	4.1
203.07062	3.9
204.07799	6.0
205.05078	1.5
205.08635	5.5
206.09390	4.1
209.11734	2.5
213.09126	2.3
217.08612	10.5
218.09424	23.7
219.10178	17.9
223.06073	16.1
224.06364	1.4
230.09410	5.2
231.10164	2.0
233.11775	11.9
236.95897	1.3
245.11797	10.5
260.29099	1.4
323.12839	10.4
330.14560	1.5
332.41177	1.4
340.13300	1.4
355.15472	23.4
355.24814	3.3
356.16144	1.8
429.13855	2.1
445.13501	3.5
457.13351	1.8
471.15051	6.5
483.15009	4.2
559.21521	6.0
631.23767	2.1
649.25208	6.0
659.23315	5.7
691.26044	96.9
692.26398	13.7
757.35065	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	735.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	55.4
65.60322	2.3
69.03331	2.6
71.01261	42.1
71.59438	3.4
72.99226	3.0
73.02825	26.4
81.03345	2.7
82.11325	2.4
82.60930	2.2
83.01266	5.0
85.02823	9.9
89.02315	38.0
93.03301	3.2
95.01311	2.3
96.95880	16.9
99.00759	100.0
101.02330	14.3
109.02859	4.6
109.20084	2.2
109.26805	2.2
113.02326	15.2
115.59929	2.1
119.03395	2.5
119.04920	17.5
121.02853	4.5
123.04453	3.5
125.02332	10.5
131.03397	8.2
134.03647	2.4
135.04425	10.0
137.02354	6.3
143.03368	4.4
146.87373	2.2
149.02348	4.9
149.04468	45.9
150.03169	4.5
151.03914	2.9
155.03458	2.8
159.04395	4.8
161.04420	6.8
161.05850	2.4
165.05505	4.6
165.86623	2.0
177.01848	2.4
177.05502	3.4
191.03674	4.2
191.05527	45.2
195.06593	5.4
197.06026	2.6
201.36852	2.2
202.06348	3.2
203.05521	17.5
203.07161	3.6
205.08646	3.3
215.07109	7.9
217.08717	16.2
224.95393	2.4
233.06674	6.6
241.93280	2.6
242.73860	2.2
256.25412	2.4
322.12198	2.7
335.10120	2.7
337.14578	9.7
355.15393	2.8
521.22272	4.2
622.95575	2.5
657.26782	3.0
691.26154	21.5
692.26624	2.7
735.28333	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	733.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.4
61.98687	0.6
69.03316	0.4
69.65765	1.1
69.66188	1.9
71.01250	4.8
73.02819	0.6
83.37080	0.4
85.02837	0.6
87.00752	0.5
89.02324	1.3
93.78783	0.4
95.85729	0.4
96.35353	0.4
97.06435	0.5
101.02311	1.9
109.06477	0.8
113.02316	1.0
119.04996	0.4
119.84598	0.4
124.20409	0.4
125.02300	0.7
125.09583	0.6
135.04375	0.5
135.36049	0.4
161.04482	1.1
163.11166	0.4
171.10242	1.0
183.13808	5.5
193.12213	1.3
199.09770	0.7
199.13385	0.5
207.10211	2.6
209.11752	1.4
211.13341	100.0
212.13687	4.8
225.11263	1.4
227.12845	0.8
235.08180	1.7
253.09323	3.0
255.06776	1.1
405.26410	0.6
409.16629	0.6
415.14218	0.9
429.21365	1.1
447.22333	8.4
453.57391	0.4
511.99661	0.4
623.34271	1.5
641.35126	1.2
655.33099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98555	1.0
59.01252	15.0
60.77078	1.0
61.51272	1.1
61.98699	1.9
62.87193	1.0
66.91728	0.9
70.07668	3.9
71.01243	8.3
72.93650	1.1
72.99192	1.4
73.02805	2.0
85.02829	2.0
89.02306	5.0
91.05396	2.1
96.95922	2.2
97.15472	0.9
99.00757	2.1
101.02337	3.5
106.15134	0.9
109.02850	8.0
113.02321	2.5
121.02850	4.9
125.02368	1.3
131.91885	1.3
134.03658	3.0
135.04417	100.0
136.04738	2.5
137.02448	1.1
143.03409	1.5
146.03687	1.2
147.04398	4.1
149.02367	4.7
157.16118	1.0
161.02402	1.1
163.03969	1.5
164.04712	4.1
168.35493	1.2
172.05209	1.5
179.07089	1.3
186.62210	1.1
187.07562	2.3
189.01790	1.2
191.05519	1.9
191.07086	2.4
192.08041	1.1
204.07872	4.0
205.08578	2.4
209.11769	3.4
216.62421	1.0
217.08656	1.2
218.09471	3.6
219.10226	13.4
223.06052	7.4
233.11725	3.3
245.11781	1.5
323.12854	3.4
323.43228	1.1
339.11499	1.5
355.15524	17.3
355.24954	2.1
356.15842	1.5
471.14996	8.5
483.14999	2.6
489.54663	1.2
559.21735	3.3
631.24725	1.3
631.35950	1.1
648.36981	1.6
649.25537	4.9
649.37585	1.2
691.25995	28.9
692.26349	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	733.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85836	1.0
59.01257	21.7
61.98699	2.1
69.60183	8.8
71.01252	23.8
85.02823	2.0
87.00748	1.4
89.02316	3.3
96.95889	1.1
99.00752	1.2
101.02312	3.7
109.06464	5.6
113.02318	3.1
119.04921	2.8
125.02375	1.5
150.70277	1.0
155.10684	1.4
161.04485	1.6
163.11177	3.0
168.04248	1.2
171.10168	5.0
181.12320	1.8
183.13832	8.3
189.09126	1.2
193.12297	1.9
199.09616	6.1
199.13364	1.2
201.11259	2.0
207.10217	16.2
209.11815	9.2
211.13347	100.0
212.13641	5.1
219.63127	1.1
225.11310	11.0
227.12735	5.7
235.08203	3.4
253.09258	5.7
373.23657	1.3
383.22241	1.4
391.25162	1.4
391.34671	1.3
401.23221	3.1
409.16345	2.5
419.24329	2.2
447.22241	6.0
460.22229	1.1
461.20071	2.1
530.01202	1.2
637.32074	3.1
655.33679	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	733.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.0
59.01249	72.9
61.05840	2.6
71.01243	27.9
71.59060	3.3
71.59459	3.9
73.02840	14.0
78.95770	2.9
83.01241	5.5
83.04919	5.8
85.02836	10.5
87.00760	3.8
89.02305	12.0
91.05391	2.9
93.03381	4.1
95.01264	6.1
95.05015	2.8
96.95885	21.8
97.02850	3.0
99.00756	10.7
101.02318	15.8
105.03345	6.2
105.06992	5.8
107.04901	5.2
109.02776	3.0
113.02307	15.4
119.04924	5.1
121.02871	3.4
123.04423	4.1
125.02342	13.1
132.04439	68.0
133.02858	13.6
135.04382	4.3
137.02356	5.5
146.04659	3.1
148.03998	3.9
149.02341	8.3
149.05984	83.5
151.03934	11.2
161.02376	3.7
161.04428	7.1
161.09666	6.3
165.05438	4.1
167.03416	4.4
175.03770	3.1
187.11191	6.5
189.09132	6.7
193.04984	3.5
195.06586	3.1
196.03778	3.6
203.11839	47.3
204.13983	4.4
209.11763	12.9
210.12085	3.8
219.06445	6.3
237.07629	3.4
265.12952	11.4
283.06097	4.9
297.12717	3.8
335.09381	6.1
353.10196	13.3
353.18701	100.0
354.18881	8.4
397.17212	9.4
399.12479	3.2
439.18283	17.8
475.12042	3.4
539.22675	7.5
541.13220	3.8
555.16785	6.5
555.55951	3.1
557.24890	5.4
629.27332	4.3
689.29932	94.6
690.30347	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	732.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	50.4
61.62932	7.3
61.98703	30.7
69.72020	54.0
69.88432	10.0
71.01267	17.3
83.22269	7.5
94.02840	42.3
96.95901	24.2
99.00766	16.5
101.02324	17.6
108.02041	21.5
113.02313	15.0
137.02335	13.9
142.48203	8.5
171.10196	16.5
183.04350	9.4
200.04770	49.0
207.10124	11.3
209.11797	43.0
241.08598	17.5
336.12411	100.0
465.91995	10.4
630.21759	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	733.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.9
59.01254	36.6
64.68739	2.3
71.01264	16.9
71.59021	4.4
72.99184	2.2
73.02808	8.3
76.17510	2.4
83.01255	3.8
83.04900	3.7
85.02840	4.7
87.00779	3.5
89.02332	7.6
91.92440	2.4
93.03345	3.4
96.95879	24.1
99.00751	11.1
101.02328	10.6
105.03349	15.9
107.04894	3.4
111.98896	2.8
113.02325	9.8
119.04918	5.4
120.01155	2.8
121.02864	3.7
123.04406	8.4
125.02358	5.0
132.04451	68.5
133.02821	17.7
135.04424	7.7
137.02342	4.4
148.04004	3.0
149.02351	6.0
149.05988	83.3
150.03175	3.1
150.06363	3.8
151.03899	11.7
151.07565	2.9
157.06512	3.9
161.02411	3.2
161.04417	4.0
167.03418	12.5
177.01741	2.9
179.05525	4.0
191.05557	3.3
196.03711	4.4
203.11842	50.6
204.13893	3.4
207.10335	3.8
209.11725	18.0
219.06534	4.5
223.06142	3.0
225.11191	3.7
227.12766	3.3
237.07721	3.6
283.06223	15.8
286.16730	4.2
335.09171	14.2
336.66580	2.4
346.06747	2.9
353.10495	20.4
353.18710	100.0
354.19037	6.6
404.13782	2.7
404.19269	3.0
428.85138	3.0
539.22522	5.4
555.16956	14.3
557.24487	4.3
629.27100	3.7
647.28229	11.2
689.20233	17.5
689.30078	48.0
690.20166	4.4
690.30774	4.9
733.37433	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	731.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01057	0.5
58.31711	0.6
59.01252	3.8
60.36043	0.5
61.98684	0.8
71.01263	1.3
71.59394	1.3
73.02819	0.8
75.00751	0.8
85.02871	0.8
89.02316	0.9
93.03326	1.5
96.95874	3.1
97.81380	0.5
101.02318	0.7
113.02328	0.8
117.03357	5.5
119.04921	100.0
120.05267	4.9
121.02850	2.6
123.04425	0.6
125.02330	1.1
127.03858	0.6
134.03671	1.0
135.04436	0.8
137.02307	0.9
145.02846	7.9
147.04402	0.7
150.03119	1.0
161.06006	1.4
162.03181	1.9
163.03928	55.5
164.04294	3.1
165.05482	0.7
171.10164	1.8
173.44118	0.5
175.03947	2.6
177.05548	4.8
180.04192	1.6
189.05484	0.7
190.06337	3.5
191.07045	1.5
192.94003	0.8
193.04984	1.1
194.05864	0.9
205.08653	1.9
205.83383	0.6
207.06708	1.5
207.10303	0.7
208.07315	1.5
209.11777	1.4
218.66202	0.6
225.11295	0.8
341.10406	1.1
343.11771	0.6
345.13419	1.1
359.15103	2.9
429.15359	1.8
437.12906	0.9
491.18393	0.8
506.77466	0.7
535.19580	0.9
687.39429	1.3
731.26947	14.6
731.39532	1.1
732.27258	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	729.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89096	0.7
59.01251	13.6
60.03802	0.5
64.89613	0.5
70.32909	2.2
71.01245	1.9
79.81490	0.5
87.00733	0.6
89.02319	1.4
92.91455	0.6
98.19835	0.5
101.02312	0.9
113.02309	1.1
125.09602	1.0
127.11167	1.4
170.91730	0.5
171.10181	100.0
172.10516	3.7
179.05501	0.6
235.08212	1.4
236.73097	0.6
253.09299	4.7
279.23285	56.3
280.23633	4.1
407.19046	2.5
697.52692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86677	0.4
55.42398	0.4
59.01254	17.5
60.35607	0.4
71.01254	1.5
71.35280	1.0
73.89108	0.4
80.48823	0.4
89.02343	1.6
92.68462	0.5
100.84991	0.5
101.02306	2.0
113.02324	0.5
127.11202	1.0
152.07809	0.5
161.04475	0.8
171.10188	77.2
172.10556	3.3
190.64587	0.4
235.08278	2.3
253.09360	6.0
279.23303	100.0
280.23654	8.4
285.94727	0.4
407.19293	1.0
515.32373	0.8
555.21112	0.4
743.93585	0.4
755.37518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	38.6
66.32535	1.8
70.13268	9.8
71.01246	5.3
89.02317	2.6
127.11215	1.9
140.21826	1.8
151.11180	4.3
163.80244	2.1
169.12250	36.8
171.10190	95.0
172.10513	3.0
213.11256	3.4
231.12230	4.6
253.09189	6.0
259.09854	2.1
279.20407	3.4
279.23273	35.7
280.23605	3.2
405.52893	2.1
467.21268	3.5
556.94574	2.2
647.75531	2.1
711.42981	5.4
729.44244	100.0
730.44666	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	729.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66447	0.3
59.01245	1.6
61.98703	0.5
62.52835	0.4
71.01261	1.4
71.59328	0.6
72.07038	0.4
72.99181	3.1
73.02841	0.4
75.00748	100.0
76.01087	1.1
78.95789	0.7
89.02316	1.2
101.02332	1.3
125.02331	0.6
171.10139	0.4
186.52805	0.4
199.09674	0.7
235.08231	0.7
255.23341	3.5
305.08554	0.6
311.22482	0.6
360.21130	0.4
397.13446	6.1
402.83978	0.4
415.14560	1.9
431.02631	0.4
653.37360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.4
59.01248	1.5
61.96612	0.3
61.98685	0.4
71.01258	0.9
71.59172	0.6
72.99177	2.8
74.03065	0.3
75.00749	100.0
76.01100	0.9
80.96412	0.4
89.02322	1.0
101.02310	1.0
113.02322	0.6
125.02351	0.7
161.04472	0.5
171.10153	0.4
198.13736	0.4
215.12888	0.5
233.13925	1.3
235.08192	0.5
253.09340	0.7
255.23355	3.1
268.93155	0.3
277.21741	0.8
397.13556	5.6
398.13898	0.5
415.14664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	4.3
59.01249	32.6
69.49262	6.8
69.49687	10.0
71.01249	15.8
73.02804	6.5
78.95817	2.0
83.01247	2.6
85.02805	6.0
89.02309	8.4
93.03317	2.6
96.95893	8.7
101.02315	8.1
107.04931	2.2
109.02817	4.3
113.02330	5.8
119.03395	2.2
121.02800	4.8
122.03635	28.1
123.00739	3.3
123.04439	20.6
124.01534	3.2
125.02337	5.2
131.64290	2.4
134.03598	4.3
135.04454	17.2
136.01601	3.2
136.05182	7.6
137.02336	57.6
138.02791	1.9
148.05214	4.1
149.02357	3.4
149.05981	2.2
150.03088	5.0
150.06723	8.5
151.03915	39.9
151.07565	24.4
152.04706	47.6
153.05452	2.0
159.84579	2.2
161.02255	2.8
163.07382	2.1
164.04672	3.5
165.01767	2.4
165.05507	3.4
165.09254	2.6
167.07138	2.6
177.01823	7.7
178.02611	4.6
191.05486	3.5
193.04976	5.0
195.03059	4.2
196.03702	100.0
197.04190	2.9
201.11290	4.9
209.11726	7.4
211.06079	30.0
215.12727	2.8
223.06052	3.1
329.23355	5.9
343.24673	2.6
373.25912	10.9
387.14243	2.5
435.31207	14.5
463.30273	2.9
481.25305	3.1
481.31775	24.3
524.32904	2.3
638.67145	2.5
685.38159	77.0
686.38391	13.1
729.37500	83.1
730.37518	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	729.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.0
59.01255	10.0
61.98675	1.9
69.03288	1.7
70.14447	1.4
71.01258	9.5
71.58543	1.9
73.02819	2.2
75.21656	1.3
85.02850	1.9
87.00768	2.4
88.98698	2.7
89.02335	6.4
96.95901	6.4
97.02841	2.1
99.00742	1.5
101.02332	8.6
103.80062	1.3
109.02841	2.0
111.08044	3.6
113.02325	4.7
119.03421	2.3
125.02328	2.6
125.09614	4.8
127.11150	6.8
130.26552	1.5
135.04362	2.4
137.09586	1.6
143.03372	2.2
147.35921	1.6
155.10667	3.0
161.04416	4.5
165.09164	2.7
171.10179	5.7
179.05617	2.1
181.12164	1.5
183.13826	1.6
195.14003	2.3
197.11749	18.1
197.13503	1.8
199.09673	4.6
201.11275	100.0
202.11678	2.9
207.10201	1.6
209.11774	8.0
211.13321	4.4
223.13332	4.5
227.12878	3.2
235.08186	3.0
253.09317	27.0
277.21710	2.2
291.19678	12.9
293.89035	1.5
295.22778	31.1
296.23181	3.6
309.20728	39.6
310.20923	2.2
311.22174	1.9
320.38351	1.8
397.13547	12.2
415.14651	8.9
437.20294	2.4
475.30173	1.7
493.31796	2.3
603.48285	1.5
622.29840	1.5
693.37402	3.8
729.34033	10.7
730.35797	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	729.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50732	0.3
57.03313	0.4
59.01252	4.5
60.73384	0.4
61.98708	0.7
71.01252	1.2
71.58867	0.6
73.02827	0.4
83.15856	0.4
85.02820	0.6
87.00764	0.4
93.03331	1.4
95.04895	0.4
96.95888	6.5
101.02359	0.5
108.02081	0.4
109.02842	0.6
110.53089	0.4
113.02309	0.4
117.03364	3.5
119.04918	100.0
120.05248	2.8
121.02843	0.6
123.04408	0.5
133.06480	0.9
135.04411	0.6
145.02853	5.7
149.05977	0.4
151.03947	0.8
151.07538	0.4
152.16927	0.4
161.02307	0.6
161.06000	1.8
162.03178	2.2
163.03920	65.4
164.04272	2.7
165.05510	0.5
177.05472	1.8
179.03445	0.7
190.06233	0.4
191.05696	0.4
209.08119	1.2
221.55592	0.4
268.07385	0.6
283.09650	0.6
295.06192	0.5
296.06845	0.6
299.09232	0.5
305.81244	0.4
309.07608	0.9
311.09244	0.7
312.06372	1.0
323.09290	1.1
324.06555	0.7
324.09760	1.0
327.08774	2.7
329.23450	0.4
338.11453	0.8
339.08783	3.3
341.10306	1.3
342.11142	2.3
354.11063	1.3
357.13379	4.7
358.13913	0.5
369.13455	4.6
370.13379	0.4
424.84979	0.5
625.54883	0.4
669.23193	0.6
685.37848	1.8
729.25415	10.1
730.26581	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	729.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.9
60.99175	1.6
61.98703	0.4
69.50216	2.3
69.50626	0.8
71.01269	0.4
72.12714	0.4
72.99172	0.4
85.02833	0.4
88.98681	10.2
88.99243	0.6
89.02327	1.5
91.05441	0.5
93.03342	1.3
96.95894	1.0
101.02335	0.6
101.75378	0.4
109.02842	1.8
116.60154	0.4
117.03349	5.1
119.04916	100.0
120.05257	4.1
121.02836	2.1
123.04408	0.4
125.02304	0.8
133.06476	0.7
135.04419	1.7
136.01559	4.4
137.02364	0.9
145.02855	8.2
146.03482	0.4
151.00273	1.2
151.03952	4.1
161.04785	0.4
161.05980	2.7
162.03131	2.5
163.03915	63.2
164.04301	2.3
166.02657	2.6
173.06003	1.4
177.05490	6.2
178.02704	0.4
181.04968	3.5
191.07062	1.2
192.30072	0.5
201.11212	1.4
209.11819	0.4
211.13310	0.8
217.08710	0.5
227.23553	0.5
235.08238	0.5
293.21323	2.5
323.34879	0.5
341.10229	1.6
342.10870	0.8
357.09622	0.8
357.13358	0.7
372.12158	0.9
373.12946	1.4
387.14542	1.9
397.13367	0.9
415.14386	0.8
420.90012	0.4
427.13803	1.1
503.16852	0.6
531.20654	0.6
533.18066	1.4
534.17261	0.6
699.24261	1.4
729.25208	15.9
730.25470	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.0
61.16403	0.3
61.80898	0.3
61.98694	0.9
71.01254	0.8
71.19756	0.8
88.98693	0.3
89.02299	0.3
93.03342	0.9
96.95876	2.2
101.02338	0.5
101.86422	0.4
106.90477	0.4
109.02859	0.5
117.03343	2.8
119.04917	100.0
120.05252	4.3
121.02854	1.3
123.00816	0.4
123.04440	0.4
125.02319	0.7
131.13585	0.4
135.04390	0.5
136.01573	3.1
137.02341	0.9
145.02853	3.5
151.00319	0.7
151.03920	2.4
152.04285	0.5
161.06021	0.8
162.03163	1.9
163.03920	60.9
164.04207	2.6
166.02631	1.6
167.03278	0.4
173.06073	0.5
175.03983	0.4
177.05502	4.4
178.02531	0.4
181.05014	2.3
185.11737	0.5
196.95990	0.3
201.11316	1.3
211.13481	0.4
251.92780	0.4
253.09470	0.4
275.02890	0.5
282.35730	0.4
291.19940	0.4
309.20847	0.4
341.10324	1.2
342.10828	0.6
357.13434	0.7
372.11984	0.7
373.12845	1.8
387.14462	1.5
427.14304	0.6
481.83643	0.5
533.18335	0.6
543.94507	0.4
607.36218	0.4
699.24884	0.6
729.25281	9.4
729.36847	0.5
730.25488	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	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28160	0.6
58.75323	0.6
59.01254	16.0
60.76889	0.6
69.63275	0.5
71.01261	2.3
71.16463	0.7
71.16805	1.5
73.02810	0.8
73.61609	0.6
74.02042	0.6
76.64382	0.6
78.95749	0.8
85.02820	0.7
86.27169	0.6
89.02301	1.5
101.02339	2.5
102.13114	0.6
106.83946	0.6
113.02329	1.2
125.09651	0.8
127.11158	1.7
135.15590	0.6
145.09094	0.6
167.10719	0.7
171.10185	100.0
172.10521	4.0
185.11787	6.0
209.11795	3.1
210.12157	1.5
219.69563	0.6
223.45872	0.7
235.08260	2.1
253.09213	6.9
255.23251	1.3
277.21732	60.2
278.22104	5.8
279.23294	11.9
280.23703	2.4
281.24664	1.0
407.19266	2.6
727.42816	10.4
728.43091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	46.0
67.32075	1.5
71.01268	9.5
71.58154	2.5
73.26815	1.2
82.95292	2.5
83.01262	2.1
83.02383	1.4
84.94994	4.2
85.02819	3.2
86.60105	1.3
89.02345	6.9
101.02338	8.8
103.87405	1.5
113.02342	1.9
151.11163	4.9
161.04482	2.7
169.12267	30.0
170.12538	2.0
171.10190	57.5
172.10526	2.0
177.13136	1.4
191.05513	1.7
213.11234	3.2
218.98763	1.6
231.12271	2.2
235.08115	3.2
253.09232	5.8
258.51740	1.7
269.24838	10.8
270.24969	1.6
277.21725	76.3
277.55289	1.5
278.21991	9.0
305.08429	1.5
397.13559	14.4
398.13821	1.7
415.14639	4.8
449.20633	2.4
467.20847	2.1
468.13812	2.0
482.15756	1.7
513.30750	1.4
556.19299	5.4
643.23486	2.3
683.25549	2.3
709.41595	4.5
727.42773	100.0
728.43140	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43301	0.8
59.01252	48.9
60.47547	0.7
61.97458	0.8
70.15875	2.0
70.16261	1.4
71.00930	0.8
71.01254	6.7
71.72650	0.8
73.02822	1.0
85.02808	0.9
87.00739	1.5
89.02306	3.6
101.02300	3.5
113.02322	1.4
120.77218	0.7
121.02843	0.8
125.09591	2.0
127.11187	1.9
151.11205	4.8
151.60143	0.8
152.99452	1.0
161.04391	0.9
169.12265	37.1
170.12512	2.1
171.10187	100.0
172.10565	4.1
187.13188	0.9
191.05620	1.5
209.11729	1.0
213.11191	4.0
231.12370	4.2
235.08224	1.0
253.09210	5.7
277.21735	32.8
278.22040	3.3
287.15268	0.9
407.19070	1.7
449.20258	2.1
467.21545	3.9
657.82135	0.9
709.41608	5.4
727.42755	84.0
728.42993	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79791	0.6
57.03331	1.3
59.01252	7.7
69.66879	5.1
71.01250	3.6
73.02811	1.6
75.00770	1.6
78.95750	0.8
83.01263	0.8
85.02821	3.8
86.20267	0.6
87.00738	1.5
88.98692	0.7
89.02314	1.3
93.03332	0.8
96.95880	2.5
97.06490	1.1
99.00774	0.7
101.02332	2.6
113.02331	1.6
121.02822	0.7
123.04388	1.5
123.08046	2.6
124.01563	0.7
125.02316	2.1
125.09614	0.8
134.03618	1.4
135.04358	1.4
135.08072	1.2
136.05206	1.1
137.02333	2.3
137.06010	0.7
141.09067	1.2
149.02345	0.8
149.05988	2.6
150.03041	0.7
150.06775	25.7
150.07991	1.5
151.03925	1.0
151.07452	0.9
151.62439	0.6
152.04648	1.0
152.94194	0.6
154.02545	0.6
157.08678	1.4
160.01598	0.8
161.02321	0.8
161.04489	1.3
162.06781	1.0
163.03859	0.8
163.07547	11.4
164.08365	5.2
165.05461	1.0
165.09032	0.7
171.10187	1.6
177.09103	1.4
177.46744	0.7
178.09906	0.9
179.10712	13.6
187.09694	1.5
191.05473	0.7
193.04988	1.7
195.06540	0.7
196.03723	1.7
201.11272	1.5
202.94135	0.6
211.06110	0.8
215.09085	0.7
223.06160	0.9
229.08743	0.7
229.10675	3.2
299.15561	0.9
303.08612	1.0
313.20197	0.7
329.23431	3.6
335.22208	0.9
341.23334	3.8
343.21155	3.9
364.22614	1.8
393.26419	0.9
462.30115	1.1
476.31561	3.1
477.32147	4.3
504.30908	3.2
505.31427	2.4
522.31976	4.3
523.32709	13.4
524.32886	1.9
683.37720	2.2
709.38281	1.0
727.39130	100.0
728.39447	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.0
59.01249	11.8
71.01257	4.4
71.06809	1.4
71.07133	0.9
72.99181	0.8
73.02821	3.7
79.13433	0.8
80.61031	0.8
82.89475	0.8
83.01241	1.1
83.04913	1.2
85.02823	3.6
87.00745	2.6
88.98663	1.3
89.02316	2.8
92.80938	0.9
93.03328	1.0
96.95910	5.4
97.06455	1.4
101.02324	2.5
109.02824	1.6
113.02345	2.0
117.61970	0.8
119.04898	2.2
121.02840	1.6
122.03629	2.5
123.04439	1.9
123.08065	1.7
123.94465	0.8
125.02316	1.9
134.03670	1.4
135.04390	2.1
136.05179	1.2
137.02342	5.5
137.05980	1.3
137.09662	1.4
141.09161	1.0
149.02364	1.8
149.05998	2.8
150.03136	1.3
150.05598	1.9
150.06769	26.0
151.03926	3.9
151.07484	2.0
152.01065	1.1
152.04660	3.3
155.10793	0.9
157.08624	2.7
161.02299	1.3
161.04477	1.1
162.06802	1.2
163.07561	11.7
164.04726	1.5
164.08295	3.8
165.05428	2.2
171.10182	2.6
177.09116	1.5
178.02742	1.4
178.09959	1.7
179.10725	12.3
185.11951	1.1
187.09764	1.1
191.05476	1.2
193.04959	1.8
196.03699	8.0
201.11267	11.9
209.11800	3.6
211.06050	2.5
223.06100	1.6
229.10753	1.9
287.49432	0.8
287.53027	0.8
299.18753	1.8
321.20706	2.3
329.23343	3.0
341.23407	2.6
342.28210	0.9
343.21228	2.9
351.21521	0.9
356.25525	1.0
357.50507	1.0
364.22754	1.4
462.30124	1.4
476.31445	2.9
477.32010	4.2
479.30231	1.2
504.30844	2.5
505.31473	1.7
522.31995	5.4
523.24573	1.7
523.32715	15.2
524.33551	1.4
545.26025	1.1
667.37677	1.3
683.36676	7.6
709.37549	1.1
727.39124	100.0
728.39429	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	727.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
59.01247	9.1
69.03345	1.2
71.01254	5.7
73.02819	1.6
75.00761	2.6
82.50346	0.9
85.02838	3.5
88.98684	1.6
89.02322	1.2
89.06257	0.8
91.61682	0.9
93.03357	0.9
96.95900	3.6
101.02348	3.2
107.04905	1.7
109.02864	0.9
113.02360	2.1
119.04959	1.3
121.02835	1.3
121.06539	1.6
122.03632	49.5
123.04448	1.7
123.08055	1.7
125.09612	2.2
133.06487	2.0
134.03629	2.7
135.04417	10.0
136.05183	6.1
137.02304	1.7
148.05161	3.2
149.06046	1.5
150.03119	2.0
150.06787	5.2
151.03922	2.8
151.07562	57.4
152.04745	1.2
152.07898	2.8
161.02226	1.0
165.05478	1.4
165.09157	1.5
171.10204	5.6
172.04439	0.8
179.10622	1.3
196.03708	2.8
209.11784	1.7
211.06078	1.1
307.18991	1.5
309.20691	1.0
323.69000	1.0
327.21759	25.2
328.22113	2.6
329.23318	3.5
336.19638	1.5
415.14908	1.4
415.28650	1.8
433.29626	7.4
458.99918	1.2
461.29193	7.8
462.29495	1.4
478.29434	1.9
479.30157	42.1
480.30328	4.8
589.25714	1.1
590.26501	1.3
605.38251	1.1
641.35510	2.1
683.36487	100.0
684.36816	17.9
727.39410	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	727.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96320	7.5
59.01263	52.6
61.71896	5.9
61.98705	20.7
65.08137	7.4
71.01260	41.8
71.57803	12.5
80.95063	6.2
85.02827	8.9
87.00764	9.3
88.98688	7.8
89.02336	23.5
97.02827	7.5
99.00786	9.1
101.02322	22.0
109.02837	8.4
113.09650	9.8
131.03395	8.9
135.04413	8.3
149.04457	15.4
150.32510	7.3
163.07555	40.3
171.10155	15.8
199.09708	20.3
209.11761	9.0
211.13374	23.2
229.66035	7.1
253.09355	10.9
293.21237	100.0
347.22263	54.4
397.13522	73.9
415.14780	32.8
691.35699	20.7
699.93683	10.7
727.33411	52.0
728.34027	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	727.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03331	0.9
58.00473	0.4
59.01252	100.0
60.01590	1.1
61.71383	0.3
71.01255	11.9
71.58513	0.4
72.99179	0.8
73.02821	3.4
75.00762	0.5
78.12397	0.3
83.01258	1.9
85.02830	5.3
87.00771	0.8
89.02316	5.8
95.01277	0.9
96.70786	0.3
96.95898	0.4
99.00750	1.6
99.95902	0.4
101.02323	10.4
102.24699	0.3
111.00792	0.5
113.02341	5.2
119.03397	2.5
125.02328	1.8
129.01865	0.4
131.03400	0.4
135.04449	1.1
137.02357	0.5
143.03429	1.1
155.90524	0.4
159.02946	0.8
161.02417	0.6
161.04475	4.4
179.05530	4.5
191.05473	0.7
205.03442	0.4
235.11823	21.0
236.12257	1.1
277.12924	9.6
289.07281	0.4
321.11768	0.8
405.21350	3.0
421.77661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.6
63.30609	0.3
69.59531	2.6
71.01243	2.9
72.99189	0.4
73.02818	1.0
75.00748	0.4
83.01233	0.5
85.02824	1.9
87.00740	0.4
88.66700	0.3
89.02317	1.2
91.05399	0.5
93.03345	0.8
95.01295	0.5
99.00769	1.2
101.02322	1.5
111.00766	0.7
113.02345	2.2
117.03352	0.8
117.69119	0.3
119.01286	0.4
119.03448	0.3
119.04967	0.8
121.02836	8.1
124.03788	0.3
125.02283	0.4
132.02094	1.2
134.03658	0.3
135.04408	0.7
137.02396	0.4
147.04410	2.9
147.30553	0.3
149.02344	55.7
150.02660	2.1
151.03896	0.5
161.04466	0.5
163.03931	1.1
164.04698	47.8
165.05144	1.6
175.00266	2.4
179.03622	0.3
179.05635	0.6
179.07047	5.2
190.02655	6.9
191.03397	0.3
191.05432	0.8
193.01375	1.0
198.13525	0.3
205.04999	10.8
206.05377	0.6
208.03709	2.8
223.06067	100.0
224.06404	4.1
310.93793	0.3
492.69434	0.4
503.25089	1.6
521.25946	1.6
667.37738	0.5
727.31647	4.9
728.32269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.9
62.01095	0.4
62.12532	0.4
70.01286	1.0
70.01701	1.6
71.01253	1.6
71.27574	0.5
73.02834	0.5
79.03210	0.4
85.02823	0.5
89.02325	0.5
92.79651	0.4
93.03337	1.0
96.50529	0.4
96.95914	0.7
99.00745	0.6
101.02305	0.9
117.03345	4.0
119.04916	100.0
120.05251	2.8
121.02869	0.9
125.02367	0.5
135.08014	0.5
144.20998	0.4
145.02847	5.0
147.04391	0.5
149.06004	0.4
150.06769	1.6
151.13335	0.4
161.05936	0.6
162.03102	2.4
163.03918	58.4
163.07545	6.9
164.04245	2.5
171.10204	0.7
175.03906	5.0
177.05444	2.2
188.04674	0.5
190.06291	2.4
191.03397	0.4
201.11281	0.8
203.07187	0.7
207.10249	0.5
209.11800	0.6
210.06915	0.6
211.13313	1.0
218.05789	1.9
219.06609	0.5
222.05276	1.8
237.05409	0.6
238.06245	0.7
241.05112	0.6
242.05853	0.5
249.05588	0.5
250.06252	0.8
250.62903	0.4
253.05032	1.2
253.08958	0.6
254.05844	0.5
255.02644	0.5
265.05017	0.9
266.05856	1.7
277.05170	0.7
278.05823	3.5
279.06503	1.0
281.04517	2.3
281.08005	1.0
282.05331	0.7
293.04584	0.4
293.21375	0.7
294.05301	0.7
297.07697	1.0
297.10703	0.4
306.05338	3.2
307.06100	2.4
308.06769	0.6
309.03995	2.2
309.07718	1.2
310.04901	2.2
320.07031	1.0
321.07651	8.9
322.08182	2.3
324.06476	4.6
325.07202	8.2
326.07684	1.0
335.09332	0.8
336.09943	3.8
337.07169	6.8
337.10663	0.8
339.08707	8.8
339.12698	0.8
340.09460	6.5
341.10123	1.5
347.22327	4.6
352.09534	1.8
354.10992	7.0
354.18121	0.6
355.11819	13.9
355.16074	0.9
356.12198	1.6
367.11841	19.3
368.12317	1.6
385.12952	0.8
397.13678	0.8
415.14340	0.5
641.31860	0.6
683.32709	8.3
684.33447	0.5
697.22906	8.6
698.23212	0.9
727.23608	13.2
728.24487	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	727.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.7
60.99178	0.3
63.18363	0.3
67.01750	0.4
71.01260	0.7
85.02824	5.3
87.00751	1.0
90.68744	0.3
93.03330	3.2
98.20553	0.7
109.02833	0.8
111.04397	1.0
118.73706	0.3
123.04424	0.3
125.02299	0.4
127.03903	1.4
133.02824	0.7
135.04414	3.6
137.02388	0.4
161.02325	1.7
171.02913	0.4
173.04468	5.0
179.03421	3.3
191.05544	100.0
192.05894	3.5
195.02901	0.3
196.03719	1.0
229.21596	0.4
264.27579	0.4
353.08737	11.4
354.09061	0.8
373.11203	0.8
557.60474	0.3
616.71362	0.4
636.72485	0.4
687.55420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24278	0.8
52.55457	0.8
56.90971	0.8
59.01250	2.2
61.98709	1.6
68.08381	0.8
71.01257	1.4
71.59116	1.0
71.77934	0.9
93.03330	2.0
99.62363	0.7
109.02839	1.2
112.20557	0.9
112.67987	0.9
117.03384	9.2
119.04922	100.0
120.05270	3.5
121.02850	3.5
121.25802	0.7
125.96276	0.9
131.62129	1.0
132.02058	2.3
133.02898	3.2
134.03636	46.7
135.04370	3.9
137.02313	4.5
139.03918	1.6
145.02844	16.1
146.03188	0.8
149.02362	1.0
149.05978	7.7
153.45227	0.7
160.01587	7.9
161.02351	1.3
162.03108	3.5
163.03929	59.7
164.04274	2.3
171.10173	1.4
172.78291	0.9
175.03923	23.0
176.04314	0.9
177.05492	3.3
178.02647	11.7
179.03346	3.5
179.06999	0.9
192.04207	2.0
193.05002	46.9
194.05405	2.3
199.09732	1.6
201.11273	5.2
209.08353	0.8
209.11623	1.8
211.13406	1.6
253.09309	1.8
293.21317	1.0
307.19189	2.2
455.38913	1.0
551.19293	4.2
581.20233	2.2
727.23871	14.8
727.36218	1.6
728.24414	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	725.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96962	0.2
59.01258	3.3
71.01254	2.9
71.53932	0.4
73.02847	0.8
73.99976	0.3
79.95607	0.4
80.02546	0.9
80.96396	2.5
81.03348	1.3
81.45448	0.3
82.26981	0.3
83.01278	0.5
83.04896	4.9
84.02059	0.9
85.02837	0.9
87.00775	0.9
89.02335	2.2
94.97964	0.6
95.01276	0.3
95.04909	0.8
97.06488	0.3
101.02343	2.6
109.06503	0.5
113.02307	0.9
119.03409	0.8
121.06509	0.3
122.22044	0.3
125.06007	0.5
125.09649	0.4
126.80402	0.3
135.08070	0.4
136.05077	0.3
145.04936	0.4
149.06001	6.9
161.04485	1.4
163.11198	3.4
164.98524	0.6
165.12755	1.9
171.10222	0.5
181.12300	0.6
191.10703	1.3
209.11789	100.0
210.12134	5.4
225.00702	0.7
227.12866	10.9
228.13234	0.5
235.08249	3.3
253.09290	9.0
255.23285	0.8
277.21741	2.9
279.23300	83.7
280.23651	6.2
281.24884	0.4
445.20755	0.9
447.34802	5.9
448.34775	0.4
725.37775	2.7
726.38428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.8
59.02103	1.7
61.09911	2.0
64.94120	2.0
70.62515	1.7
71.01257	10.0
74.47586	2.0
76.25520	1.7
78.95774	9.8
78.98474	3.9
79.46207	2.1
79.95621	9.0
80.96391	56.3
85.02819	2.5
87.00747	2.1
89.02316	4.1
94.97938	9.8
96.96829	2.7
99.99368	1.9
101.02322	6.2
106.98018	3.2
109.97503	1.8
113.02314	2.3
122.97547	2.1
125.02354	3.6
134.97516	2.9
148.99011	4.5
152.98444	3.4
152.99554	4.3
161.04382	2.9
164.98505	9.5
165.12782	6.3
171.10121	12.7
183.13828	100.0
184.14262	3.0
191.77995	2.3
209.11760	7.3
225.00684	13.6
227.12888	10.6
235.08060	4.1
239.75681	2.3
241.01193	4.8
253.09218	5.7
255.23340	12.1
261.94220	2.4
263.94318	2.3
277.21646	4.3
278.22113	3.3
279.23276	53.5
281.24899	4.4
387.83643	2.1
463.21719	5.6
498.37704	2.1
654.80072	2.2
725.37982	56.8
725.46094	23.9
726.38611	9.6
726.47449	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	727.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.1
57.03321	9.5
59.01253	39.8
59.07162	2.0
65.31816	1.8
67.01765	3.2
69.03338	10.2
70.12738	8.9
71.01250	21.6
72.99175	4.0
73.02826	15.1
81.03326	4.4
83.01271	5.8
83.04887	3.6
85.02823	73.9
87.00751	100.0
89.51571	2.0
93.03349	7.7
95.01270	23.9
97.02839	30.3
98.19949	3.1
99.04401	3.1
101.02314	5.7
103.03895	8.5
109.02806	9.0
111.00774	16.2
111.04394	1.8
113.02337	24.2
115.00240	10.8
125.02335	3.1
127.03886	16.1
129.01833	6.0
135.04379	2.7
137.02333	4.3
139.00258	10.6
145.04970	7.8
155.03386	4.3
157.01358	8.2
168.08165	1.9
169.04907	3.0
171.02946	1.9
173.04503	4.0
175.02400	51.9
183.37560	1.8
191.05544	3.7
199.02409	33.7
205.03468	6.5
206.52495	1.8
209.02960	3.8
217.03482	18.7
223.04533	31.7
278.51593	2.0
286.19278	2.0
303.07224	13.0
321.08212	5.9
345.08221	7.4
363.09464	2.9
385.07565	2.7
387.09454	12.8
405.10516	3.5
462.78009	2.0
623.14471	5.6
709.18689	10.1
727.20203	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	725.324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86362	1.2
59.01253	100.0
59.91368	1.3
61.60914	1.1
71.01254	12.6
73.02832	3.8
83.01261	3.4
85.02829	6.4
87.00772	2.2
89.02326	4.8
96.52782	1.3
96.95940	2.8
99.00764	1.7
101.02328	11.2
113.02320	6.0
119.03384	2.4
125.02332	1.7
143.03429	1.4
159.02911	1.2
161.04430	5.8
179.05461	1.5
191.05550	2.4
221.11595	1.5
222.12500	1.8
235.11836	17.5
271.02423	1.7
277.13040	8.4
299.01807	1.9
315.04987	1.6
347.13663	1.5
385.18399	2.1
430.40671	1.6
519.11371	4.4
597.89410	1.6
631.72253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.1
59.01263	7.7
67.39474	0.8
67.73518	1.1
70.65039	1.9
70.65408	1.9
71.01253	6.2
73.02818	1.1
75.00755	1.2
78.95817	0.9
80.02547	1.2
81.03339	1.7
83.01248	1.1
83.04910	5.0
85.02825	1.6
89.02324	4.2
95.04881	1.1
101.02357	4.8
109.06492	1.3
113.02342	3.9
119.03389	1.2
124.33694	0.9
125.09660	1.7
131.53612	1.0
139.11136	1.6
141.12730	1.1
161.04416	1.9
163.11186	3.5
165.12729	2.0
167.10651	1.7
171.10138	2.1
185.11768	66.1
186.12108	2.5
189.92429	1.0
191.10710	1.0
209.11783	100.0
210.12097	8.4
211.13258	2.8
227.12854	11.0
228.13142	1.7
229.10844	2.6
235.08192	2.8
253.09239	12.0
277.21738	25.8
278.22101	5.4
279.23306	55.3
280.23691	6.5
448.37793	1.0
465.19907	1.1
655.16638	1.0
725.41223	48.5
726.41620	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	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36011	0.2
58.00478	0.2
59.01250	3.4
59.53922	0.2
71.01252	2.8
71.54157	0.5
72.51501	0.2
73.02811	0.4
76.96759	0.2
78.61996	0.2
80.02543	0.9
81.03338	0.9
83.01252	0.5
83.04899	4.1
84.02052	0.6
85.02827	0.6
87.00735	0.5
89.02311	2.0
95.04917	0.6
101.02327	2.5
105.01881	0.2
109.06478	1.0
113.02332	1.2
119.03395	0.5
125.05962	0.4
135.08011	0.7
147.11740	0.3
161.04478	1.1
163.11203	4.0
165.12778	1.9
179.05507	0.3
181.12250	0.8
185.11745	0.5
190.35266	0.2
191.10710	0.7
199.13287	0.3
207.10194	2.1
209.11768	100.0
210.12112	5.5
225.11292	2.0
227.12848	10.3
227.15141	0.5
228.13100	0.5
235.08255	1.8
253.09250	8.3
254.09694	0.6
259.20746	0.3
277.21716	53.0
278.22089	4.0
279.23251	4.1
280.23721	0.3
305.75638	0.3
445.20850	0.8
460.85715	0.3
472.59406	0.2
506.52759	0.2
552.43298	0.2
711.46234	0.2
723.43274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03323	1.0
59.01258	10.1
65.00188	0.9
69.26559	5.0
69.26984	3.0
71.01258	9.1
72.99168	0.7
73.02814	1.8
73.39984	0.6
75.00732	1.1
75.21839	0.6
80.58842	0.7
83.01225	1.1
85.02828	4.8
87.00719	0.8
88.15714	0.7
89.02332	3.0
91.01787	1.0
91.05392	0.8
93.03327	3.4
96.95899	1.5
97.02839	1.6
99.00720	1.1
101.02308	4.3
101.40791	0.6
105.42432	0.6
109.02856	1.2
111.00741	1.1
112.25536	0.7
113.02329	2.7
117.03333	1.6
119.01290	3.2
119.03344	1.3
119.04874	1.2
121.02840	15.0
125.02388	1.5
132.02084	1.2
133.04953	1.2
134.03609	1.9
135.04390	2.7
137.02325	1.5
147.00775	2.2
147.04395	4.5
149.02348	78.1
150.02802	3.5
151.03941	1.2
152.01070	1.5
153.05469	0.7
160.03937	4.3
161.02309	0.9
161.04420	1.1
163.03937	4.1
164.04704	59.4
165.01898	1.7
165.05089	2.5
173.04449	2.8
174.98778	1.2
175.00290	21.1
175.03929	1.7
175.05952	0.8
176.01027	3.1
177.01718	1.2
179.03401	1.6
179.07066	8.3
187.03877	1.0
189.01836	1.2
189.05357	0.8
190.02641	50.9
191.03197	5.0
191.05467	1.3
193.01332	3.4
193.05025	1.0
194.05939	0.9
202.06326	1.0
205.05002	62.2
206.05360	3.1
208.03738	7.0
209.04405	1.1
217.05141	0.7
223.06073	97.4
224.06308	4.5
261.07730	1.4
268.51700	0.7
279.08731	3.3
295.10529	1.0
354.74902	0.7
401.31058	0.8
452.69650	0.7
501.16132	100.0
502.16504	9.6
657.38184	0.9
665.36884	1.5
681.36346	1.1
683.38489	1.0
725.23444	1.4
734.36359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
51.24283	0.8
51.44984	0.7
53.95611	0.8
55.35306	0.8
57.03297	0.8
58.06237	0.7
59.00995	0.8
59.01256	8.4
59.23050	0.8
69.39466	3.8
69.39899	3.7
71.01260	9.4
72.99152	0.9
73.02802	1.5
78.12572	0.8
80.51991	0.7
83.01263	1.4
83.04904	1.5
85.02825	1.5
87.00742	1.5
89.02312	3.0
93.43880	0.7
97.02840	1.0
97.06481	1.5
101.02322	6.0
109.06477	1.6
111.08027	1.7
113.02334	3.8
119.03367	0.9
122.54611	0.7
130.51563	0.8
161.04462	2.1
163.11200	1.9
165.12747	9.8
177.80507	1.0
183.13831	68.4
184.14154	3.8
185.11745	0.9
199.13344	2.2
207.10262	5.3
209.11772	13.2
225.11275	14.5
226.11682	1.1
227.12827	9.5
229.11339	0.9
233.52296	0.7
235.08243	3.9
253.09235	9.2
255.77948	0.7
277.21722	100.0
278.21997	8.9
279.23282	14.2
280.23782	1.5
445.20898	2.6
461.20523	2.0
463.21820	2.9
723.43243	58.4
724.43719	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	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.3
59.01251	3.8
71.01248	3.2
73.02818	0.6
80.02540	1.1
81.03334	1.4
83.01245	0.6
83.04903	4.8
84.02042	0.8
84.83208	0.3
85.02809	0.7
87.00751	0.6
89.02320	2.8
90.46863	0.3
95.01257	0.4
95.04859	0.3
97.02841	0.4
98.19767	0.7
101.02325	2.8
101.54608	0.3
109.06446	0.8
113.02334	1.2
119.03391	0.5
125.05976	0.5
135.08032	0.5
145.04903	0.3
161.04459	1.2
163.11223	3.4
165.12750	1.9
179.05524	0.4
181.12256	0.6
190.02956	0.3
191.10709	0.9
199.13306	0.3
207.10188	1.2
209.11774	100.0
210.12100	5.7
225.11250	1.2
227.12845	8.9
228.13179	0.4
235.08156	2.6
249.18652	0.3
253.09267	8.0
254.09683	0.5
255.79507	0.2
277.21732	70.5
278.22079	5.8
279.23245	2.2
445.20834	0.6
723.43506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35852	2.8
55.01739	2.9
57.03311	3.7
59.01252	51.0
61.98714	4.8
71.01254	36.5
72.99202	3.6
73.02825	3.7
79.33224	2.3
81.03300	3.1
83.01263	4.0
85.02831	7.8
87.00772	9.0
89.02326	26.8
96.95911	4.3
97.02840	4.4
98.19796	4.9
101.02339	26.6
109.02853	3.7
113.02330	12.8
119.03374	7.7
123.04469	3.1
125.02335	17.2
137.02344	3.8
149.54965	2.6
151.03908	6.2
161.04478	4.3
162.04756	3.0
171.10255	3.5
179.05582	3.8
195.10184	6.0
197.11729	5.3
200.09042	3.5
209.11768	16.3
211.13341	7.5
224.15254	2.7
227.06680	3.0
235.08170	9.0
253.09306	5.2
263.07932	3.0
265.21729	88.2
266.22131	5.3
277.21680	9.0
286.04257	3.1
289.07150	6.1
293.21304	3.5
305.08768	3.9
397.13535	100.0
398.13815	6.7
415.14603	29.9
416.15112	3.3
657.59088	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	723.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18536	0.1
57.18836	0.1
58.37989	0.1
59.01257	1.9
59.57825	0.1
68.82642	0.2
69.34673	1.3
71.01272	0.8
72.99213	0.2
73.02814	0.4
79.95608	3.6
83.01254	0.3
83.24393	0.1
85.02814	0.4
89.02341	0.3
95.04893	0.2
96.95889	100.0
97.06502	0.1
97.95837	0.2
98.20564	0.3
99.00741	0.3
101.02304	0.6
109.02808	0.3
109.16587	0.1
113.02325	0.4
119.04933	0.4
122.91335	0.1
123.00777	0.1
123.04433	0.9
125.02345	0.3
133.02863	0.3
134.03603	0.2
135.04402	0.7
136.01573	0.3
137.02333	1.8
149.02275	0.3
149.54767	0.1
150.03134	0.2
151.03932	2.2
152.04683	2.0
153.05121	0.1
160.03926	0.2
161.02335	0.6
161.04366	0.2
164.12129	0.2
165.05423	0.2
166.02637	0.1
167.07083	0.3
177.01826	0.3
178.02577	0.4
179.03296	0.2
181.04916	0.3
191.05508	0.7
193.04895	0.3
195.02901	0.3
196.03693	4.8
203.07103	0.2
211.06081	1.3
219.10237	0.3
233.08142	0.2
240.04294	0.1
241.05061	0.2
289.07098	0.2
295.20709	0.2
339.16183	0.3
362.67621	0.2
373.11328	0.2
387.14246	0.3
415.12469	0.2
445.11404	0.3
499.14697	0.3
543.18701	0.2
625.25275	0.2
626.74036	0.2
643.26038	4.2
644.26654	0.4
723.21747	10.0
724.22021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16869	0.6
55.01755	1.4
57.03323	0.8
59.01253	100.0
60.01587	0.8
66.33172	0.5
68.09303	0.6
69.38307	3.1
69.38731	2.1
71.01257	9.0
73.02822	6.4
81.70676	0.5
83.01278	2.1
85.02824	6.5
87.00745	1.1
89.02335	1.1
95.01247	0.8
99.00777	2.1
101.02324	13.0
104.27055	0.5
111.00734	0.8
113.02358	4.7
120.92206	0.5
125.02351	1.2
137.02397	0.8
159.02930	1.2
161.04465	5.0
177.29343	0.6
191.05428	0.7
201.97388	0.5
206.08221	1.2
235.11844	18.3
235.14146	0.9
236.12236	0.6
248.87692	0.5
269.10425	1.6
277.12946	5.3
296.95865	0.6
367.35440	0.6
401.14508	10.8
402.14877	0.9
464.05896	0.6
630.14307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83758	3.9
55.01757	5.0
57.03323	18.6
67.01770	6.2
69.83582	13.4
69.84001	12.8
71.01248	7.9
72.14114	3.6
83.01250	11.5
85.02820	100.0
87.00740	4.3
87.40844	4.1
87.42294	5.0
93.03343	20.1
101.02325	4.3
111.00775	31.9
119.04945	5.8
123.04398	17.1
129.01811	48.1
130.05292	4.1
133.02849	6.7
153.60550	4.3
163.03976	10.2
173.04431	14.4
173.05864	4.1
177.01836	11.3
180.06763	4.0
191.05547	81.3
205.03481	42.8
223.04547	68.1
228.53207	5.0
350.74945	5.0
351.07376	5.2
353.08826	10.0
369.08240	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01219	0.7
60.99175	1.7
67.01764	3.8
69.03327	0.8
69.63033	2.4
69.63433	0.7
71.01247	2.0
74.01921	0.5
81.03333	1.3
83.04915	0.7
85.02824	9.8
87.00746	6.6
93.03339	32.1
94.03658	1.0
95.04886	0.7
98.20605	0.9
99.00715	0.7
99.04428	0.5
105.03329	1.2
109.02835	1.4
111.00771	1.0
111.04414	5.0
114.53280	0.4
121.02796	1.1
122.03674	0.7
123.04414	28.8
123.47468	0.4
124.04763	0.9
125.02367	0.5
126.47572	0.4
127.03892	1.8
129.01820	1.7
133.02852	13.5
134.03209	0.4
135.04410	2.0
137.02336	0.7
139.03923	0.6
149.02351	1.9
149.89696	0.5
150.03008	0.6
151.03894	1.2
151.80070	0.5
155.03377	1.5
156.36781	0.4
161.02313	0.7
171.02885	0.8
173.04474	21.2
174.04875	0.9
177.01859	13.4
179.03409	2.1
191.05540	100.0
192.05815	4.1
195.02907	8.2
215.05551	2.0
223.04594	1.0
243.55067	0.4
351.07199	6.1
352.07706	1.0
353.08759	6.9
354.09015	0.6
369.08228	42.2
370.08627	3.3
398.91940	0.5
431.31464	0.5
531.11853	0.7
682.94025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	11.5
59.01249	6.6
67.60341	4.2
71.01241	8.1
71.37613	6.2
71.66252	3.2
83.01263	5.5
85.02833	60.7
87.00764	3.7
90.90817	3.2
93.03352	20.0
101.02358	5.6
111.00769	27.2
122.30054	3.3
123.04408	19.9
125.02305	4.5
129.01839	26.7
133.02812	10.4
135.04422	12.8
137.02429	4.3
151.03893	7.2
155.47345	3.7
165.44191	3.9
173.03079	5.4
173.04488	70.9
177.01831	11.2
179.03432	13.4
191.05540	58.0
193.01431	3.8
195.02890	12.4
205.03505	31.1
223.04543	100.0
224.04907	4.8
233.92947	3.4
353.08643	15.7
369.08292	30.7
370.69693	3.7
671.27203	3.8
701.18451	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	722.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44735	1.1
56.04207	1.2
57.03309	2.4
57.31196	1.1
59.01252	8.0
61.98700	3.9
63.57505	1.2
66.44234	1.3
70.20983	5.8
71.01244	9.8
73.02808	2.5
80.04948	1.5
85.02833	3.0
87.00733	1.5
89.02305	2.2
89.57008	1.3
97.06490	3.1
101.02307	1.6
113.02311	2.4
123.08027	1.9
125.02372	1.6
125.09615	14.7
135.04366	1.5
135.44846	1.2
140.26840	1.3
143.04820	1.4
147.04514	1.4
151.03923	1.7
171.81689	1.3
197.11522	1.3
204.17529	1.3
210.12358	1.8
212.14368	2.1
230.15485	26.9
248.16531	1.3
272.20300	2.7
298.18118	9.9
316.19205	34.3
317.19424	4.0
338.24933	1.8
356.25903	3.7
364.22928	1.7
382.23752	11.5
400.24789	4.1
418.26093	9.2
486.28653	3.7
504.29623	4.2
663.25958	1.6
722.37555	100.0
723.37885	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.0
61.98688	3.3
64.59166	1.2
71.01259	6.7
72.99158	1.1
73.02807	1.3
73.10743	1.3
73.28715	1.0
76.41585	1.0
76.42065	1.1
85.02825	3.2
87.00730	1.9
87.91522	1.1
89.02307	2.5
96.95882	1.3
97.06459	3.6
101.02308	3.9
104.21606	1.0
104.72923	1.1
113.02311	1.8
121.02668	1.2
123.08030	1.7
125.02329	2.9
125.09628	14.2
137.02341	1.3
171.82379	1.4
186.11081	1.1
209.11746	1.4
211.13387	1.3
212.14359	1.8
213.11465	1.4
230.15462	24.2
253.09334	1.4
256.13196	1.3
272.20309	3.0
298.18085	8.6
316.19183	33.2
317.19534	2.7
338.24741	3.7
356.25897	2.3
364.22699	2.5
382.23920	11.2
383.23923	1.5
400.24866	6.2
401.25226	1.5
410.92752	1.3
418.26016	8.6
424.28461	1.2
466.72873	1.3
486.28592	4.7
504.29492	3.3
722.37543	100.0
723.37823	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	722.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.8
59.01242	2.8
59.82948	0.8
69.03345	1.4
69.44237	2.1
69.44650	5.5
71.01258	1.8
81.03344	3.6
83.01253	5.4
85.02846	1.3
87.00732	0.9
93.03322	1.8
93.47845	0.9
95.04903	4.5
97.02824	6.7
108.02060	2.3
109.02838	29.9
121.02840	3.5
122.03638	1.3
123.03114	1.3
123.03472	1.1
123.04418	19.7
125.02332	20.2
135.04395	1.8
135.80957	0.8
137.02336	11.3
138.01871	8.6
138.05508	50.2
139.03920	3.5
139.05838	2.3
145.02875	2.0
146.03687	2.1
149.02354	5.8
150.03166	4.2
151.03912	9.3
159.04449	4.0
160.05283	1.4
161.02344	2.0
161.05951	6.7
162.03114	2.1
163.03894	1.5
164.01053	3.4
165.01852	5.5
167.03375	3.3
174.03210	1.6
175.03873	2.9
175.07616	2.2
179.03412	6.8
180.06578	1.0
187.03958	6.2
188.04704	5.0
191.05447	0.9
202.06268	2.4
203.07103	15.1
204.07349	0.9
205.05037	7.2
215.77722	0.9
221.08118	4.7
227.07112	2.5
231.03207	0.9
245.08197	17.0
247.06068	1.5
289.07187	100.0
290.07556	5.3
300.10858	4.1
432.15259	29.6
433.15509	2.5
467.93048	0.9
634.62262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03319	0.6
59.01249	6.4
61.71803	0.3
66.94376	0.3
69.03326	0.5
71.01257	5.0
71.04903	1.1
71.07362	0.9
73.02823	0.9
80.96402	0.4
81.03335	0.7
83.01256	1.1
83.04888	0.9
85.02805	1.6
87.00747	1.3
89.02323	2.1
91.03906	0.3
95.01282	0.4
95.04884	0.5
95.47672	0.3
97.02831	7.7
97.06478	1.0
99.00761	11.1
101.02324	3.5
109.06461	2.9
110.03612	1.3
113.02323	1.2
119.03437	0.6
121.06519	0.4
123.04393	0.4
123.08040	0.6
125.02331	1.3
125.09623	2.5
135.08061	1.0
136.05196	1.4
142.02647	2.9
143.03421	0.5
145.04968	0.5
147.13481	0.3
161.04480	0.9
161.09647	1.0
163.11203	8.0
164.11449	0.5
179.10674	0.5
181.12277	16.3
182.12602	1.0
189.09198	0.5
197.11775	1.0
199.13303	1.0
205.45151	0.4
207.10205	52.0
208.10570	3.0
209.11636	0.3
225.11276	100.0
226.11612	5.1
235.08125	2.5
243.12340	12.2
244.12726	0.6
253.09264	3.7
267.12524	0.5
275.20096	0.5
277.21716	89.9
278.22046	7.2
279.23279	0.8
299.14984	1.2
317.16034	0.9
443.19116	4.9
461.20273	29.8
462.20679	2.8
577.36981	0.4
721.41644	19.7
722.42145	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	721.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.7
58.82624	0.6
59.01249	11.9
69.03365	0.6
70.10852	0.6
71.01256	7.2
71.16660	1.0
72.92032	0.5
73.02831	1.3
80.02534	0.6
81.03333	1.0
83.01240	1.1
83.04913	1.6
85.02838	1.3
87.00767	2.5
89.02313	4.1
95.01275	1.6
95.04903	1.5
97.02820	4.5
99.00767	1.2
101.02335	6.5
107.04960	0.8
109.06476	16.2
110.03625	2.1
111.04411	1.7
113.02345	3.5
119.03385	1.4
121.06488	1.0
123.04424	0.8
135.08080	2.4
136.05223	1.0
142.02605	1.7
145.04977	1.8
145.50482	0.6
151.11168	0.6
161.04463	2.2
161.09593	2.7
163.11208	10.5
179.05566	1.1
179.10693	2.2
181.12292	2.6
189.09145	2.8
205.08670	0.9
207.10208	54.4
208.10570	2.7
209.11783	1.7
223.09691	3.1
225.11282	48.9
226.11588	2.0
235.08205	8.9
253.09258	12.3
254.09341	0.6
277.21722	100.0
278.22113	9.6
279.23364	2.8
299.14999	0.7
306.74332	0.6
409.68124	0.6
443.19238	5.6
461.20416	8.4
462.20871	0.9
632.03015	0.7
651.32025	0.7
703.40466	0.7
706.50781	0.6
721.41705	22.9
722.42059	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	721.417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64207	0.6
55.01763	0.7
57.03327	0.7
59.01250	12.7
62.47835	0.5
70.11015	1.1
70.11437	1.6
71.01253	7.9
80.02557	1.2
81.03336	3.3
83.01250	1.2
83.04897	3.8
85.02811	2.7
87.00766	1.3
89.02316	6.4
93.03312	0.7
95.01279	1.7
95.04900	2.0
97.02831	8.4
97.06509	0.9
98.19815	0.6
99.00779	0.9
101.02330	7.6
106.04140	0.8
107.04925	1.2
109.02859	0.8
109.06480	33.8
110.03656	1.7
110.06841	1.4
111.04445	1.2
113.02364	3.3
119.03419	1.3
121.06487	3.4
121.18599	0.6
122.68126	0.5
125.80122	0.5
131.03413	0.6
135.08055	4.1
136.05193	1.2
142.02629	2.5
143.03386	1.3
145.10153	1.2
161.04539	2.9
161.09564	3.1
163.11201	22.7
164.11513	1.1
165.09149	0.9
179.05612	1.3
179.10707	1.4
181.12320	5.3
189.09085	4.6
197.11769	0.6
207.10211	100.0
208.10529	4.8
209.11794	1.8
225.11279	68.8
226.11560	2.8
229.49187	0.6
235.08215	4.0
243.12256	1.1
247.61005	0.8
253.09265	14.3
255.23375	0.6
277.21729	84.8
278.22073	6.7
281.14178	0.8
299.15027	1.4
346.80008	0.6
389.56683	0.7
433.56638	0.6
441.33640	1.5
443.19226	7.1
461.20291	19.2
462.20850	1.2
467.31381	0.9
531.89069	0.7
703.40082	0.9
721.41699	27.8
722.42273	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	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81238	0.9
53.26528	1.1
59.01249	13.6
61.23315	0.9
61.98700	2.0
71.01247	10.2
71.04887	3.1
71.35982	2.1
72.99169	1.4
73.02813	3.2
75.00722	1.2
79.95601	5.0
80.96384	2.4
81.03347	1.3
83.01245	2.0
83.04880	4.9
84.02021	1.8
85.02830	3.3
87.00744	7.6
88.15508	1.1
89.02323	5.9
93.03343	1.5
95.04913	1.4
96.95888	100.0
97.02835	3.9
97.06445	2.1
97.95051	1.1
99.00754	18.3
101.02310	7.9
109.02813	1.2
109.06448	1.7
113.02319	4.1
119.03429	1.5
119.04921	1.7
123.08053	1.8
125.02348	2.8
125.09625	6.8
127.11193	1.3
129.82262	0.9
131.03456	0.9
135.04474	1.8
135.08028	2.0
137.02354	1.3
142.02638	1.1
149.02347	1.0
149.04469	2.8
151.03984	1.9
161.02350	1.4
161.04427	1.8
163.11185	9.3
165.12743	1.9
169.12204	1.0
171.10239	2.6
179.03528	1.6
179.05370	1.0
181.12262	13.0
191.05574	2.9
193.04865	1.1
197.11740	2.2
199.13327	20.6
207.10197	29.7
208.10503	1.6
209.11772	56.7
210.12109	1.8
219.10187	1.6
225.11272	51.4
226.11630	2.9
227.12845	9.8
243.06590	2.8
243.12343	15.1
253.09325	4.8
308.10718	1.1
311.12994	1.4
323.12872	3.3
404.01099	1.2
461.20282	6.1
479.21313	3.0
490.89810	1.1
575.10675	3.1
579.17334	1.5
580.17126	1.1
653.31769	3.1
654.32135	1.3
671.32623	3.8
689.33868	85.0
690.33856	13.0
721.36859	25.6
722.37219	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	721.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10388	1.0
51.88433	0.8
55.01750	0.9
57.03314	2.0
59.01252	10.9
61.98700	3.1
63.26460	0.8
69.26004	0.8
71.01259	9.6
71.04893	3.7
72.81747	0.9
73.02828	1.2
74.44108	0.8
80.96407	1.9
81.03392	1.3
83.01254	1.6
83.04902	5.3
84.02055	1.1
85.02820	2.6
87.00754	2.9
89.02315	5.5
93.03251	0.9
95.04861	1.0
96.95887	3.8
97.02844	3.0
97.06466	2.6
99.00761	20.0
101.02338	6.4
109.02880	1.3
109.06506	1.5
113.02348	3.6
119.03338	1.0
123.08056	1.4
125.02366	1.5
125.09595	6.7
135.04453	1.0
137.02313	1.7
137.09589	0.9
142.02528	1.1
149.02345	1.2
150.03085	1.2
150.59203	1.0
151.03917	1.4
160.33090	0.9
161.04494	1.1
161.09705	1.2
163.11206	13.9
165.12805	1.8
171.10196	5.6
179.03423	1.0
179.10616	1.3
181.12288	18.7
194.47192	0.8
197.11763	1.6
199.13339	12.5
202.69885	1.0
207.10225	26.8
209.11768	41.4
210.12181	1.8
211.13205	1.0
222.06824	1.0
225.11288	43.3
226.11685	1.3
227.12837	3.1
243.12354	22.8
244.12617	1.1
253.09305	2.7
262.18903	0.9
262.45590	0.8
323.18390	0.8
341.13760	1.1
344.23456	1.0
397.13489	1.0
457.73758	1.1
461.20316	3.2
479.21500	7.4
590.24371	1.0
671.32886	3.7
689.33923	100.0
690.34338	14.6
721.36517	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	57.1
61.98702	9.1
65.42130	4.2
71.01257	44.8
71.59039	9.1
73.02836	6.7
83.01250	8.1
85.02835	10.7
87.00787	7.0
89.02321	40.1
97.02818	7.7
99.00714	5.0
101.02299	27.9
108.02058	19.4
113.02354	20.8
119.03381	9.8
119.04906	9.0
123.04433	4.7
125.02332	18.8
132.91888	5.6
135.04391	8.0
140.74286	4.1
143.03427	6.2
158.45819	5.1
161.04459	13.2
171.10213	6.8
179.05589	7.2
197.11798	6.6
209.11765	23.0
215.12839	41.7
235.08121	14.6
251.40018	5.4
253.09286	14.6
263.20132	78.6
264.20712	6.2
282.77570	5.0
293.21188	7.1
394.77441	4.7
395.18558	5.5
396.19083	7.2
397.13501	100.0
398.14182	6.5
415.14645	31.9
428.14993	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75619	0.6
55.01747	0.8
57.03320	1.5
59.01253	9.0
61.98704	5.4
66.83987	0.6
69.03326	6.1
70.65491	0.6
70.94434	1.3
70.94752	1.2
71.01247	7.0
71.04884	1.9
73.02820	2.0
79.95598	0.9
80.02534	1.8
80.96380	1.7
81.03325	2.2
83.01265	1.6
83.04903	6.3
83.60137	0.7
84.02055	1.3
85.02821	2.7
87.00742	1.0
89.02317	3.7
93.03365	1.0
95.01298	0.7
95.04900	1.3
96.95896	7.1
97.02823	0.7
97.06471	1.0
99.00774	1.3
101.02331	5.2
108.01979	0.7
109.06477	0.8
111.04388	0.8
113.02316	2.8
115.38728	0.6
116.92750	1.3
119.03375	1.3
119.04913	2.7
120.57962	0.7
121.06445	0.8
123.08062	1.6
125.02276	0.9
125.05974	1.0
125.09593	2.8
131.03421	1.0
135.04443	1.1
135.08066	1.5
137.02324	1.5
137.09605	0.6
141.00258	0.8
151.11143	3.9
153.12755	1.8
161.04379	1.2
161.09595	3.0
163.11212	4.6
165.12727	2.4
171.10065	1.1
179.10699	11.2
191.05518	1.2
191.10710	1.7
193.04924	1.4
197.11771	75.7
198.12151	4.4
209.11775	71.8
210.12119	4.3
217.08455	0.7
219.10188	2.0
223.09692	1.2
227.12788	5.4
241.10861	3.8
253.09203	4.0
329.23520	1.0
383.13739	2.5
429.24802	0.7
477.19742	2.2
669.31372	1.3
675.26093	1.1
687.32324	100.0
688.32629	16.1
719.35516	14.0
720.35626	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	719.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68909	0.7
58.79024	0.8
59.01253	6.7
59.98308	0.7
60.45484	0.6
60.52341	0.8
61.98703	1.8
63.71030	0.8
65.03826	2.7
71.01249	2.2
71.58897	0.7
71.59315	1.2
73.02822	1.1
75.00732	0.7
87.00737	1.2
89.02278	0.9
91.05412	8.9
91.55724	1.0
93.03350	3.2
96.95889	1.6
99.00748	2.5
101.02330	1.0
106.70475	0.7
109.02840	14.8
110.03088	0.8
113.02306	1.5
119.04897	5.0
121.02840	17.0
125.02309	1.6
134.03656	1.5
135.04414	100.0
136.04750	3.9
141.01590	1.5
147.04417	7.9
151.03882	0.9
159.04494	4.0
171.10297	0.9
191.10664	2.5
193.05002	1.8
199.07550	2.0
202.09882	1.5
211.13383	1.6
217.12267	19.5
218.12679	0.8
313.43625	0.9
321.11359	1.7
339.15991	9.6
429.13861	1.1
445.13516	3.2
445.19241	0.9
471.15158	3.3
543.22644	2.9
633.25684	3.0
675.26556	55.3
676.26752	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02780	2.0
57.02718	2.1
57.03317	2.2
57.31316	2.0
59.01246	30.5
59.82716	1.8
61.98693	4.9
69.03328	2.4
69.49547	3.5
69.49963	14.7
71.01257	13.7
72.99200	3.1
73.02803	4.3
80.02581	3.1
80.96397	2.2
81.03340	3.4
83.01243	2.5
83.04898	9.9
85.02830	6.5
87.00755	2.8
89.02318	6.9
93.03334	3.3
95.04939	2.3
96.95884	16.4
97.55840	2.2
98.27148	1.9
99.00737	3.5
101.02326	13.1
108.02066	2.2
109.02812	3.2
113.02339	8.2
116.92783	2.2
119.03384	2.4
119.04908	4.8
123.04385	2.9
125.02321	4.9
133.02931	2.5
134.03612	3.0
135.04413	5.4
136.01590	2.4
137.02286	3.4
144.38266	1.9
150.03148	3.9
151.03854	2.9
160.03918	2.7
160.13803	1.9
161.02368	2.7
161.04488	3.8
163.11206	5.9
165.05490	4.8
165.12694	3.5
169.12260	32.5
171.10173	6.4
191.05554	4.5
193.04878	3.0
197.11774	55.4
198.12160	3.2
209.11769	100.0
210.12125	5.4
223.04189	2.6
227.12811	9.7
253.09242	7.6
285.12558	3.7
323.34396	2.2
687.20172	3.5
687.32147	63.0
688.32709	8.9
719.35260	53.4
720.34924	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	719.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32751	40.1
64.32813	39.0
71.01250	70.0
71.56529	66.4
76.46286	37.6
77.74113	40.9
87.00777	62.3
89.02316	57.5
91.20919	45.1
98.39716	36.7
141.01816	56.2
177.02182	42.3
178.16692	40.6
179.05408	39.8
186.03552	44.7
215.29004	45.1
266.71347	50.6
341.10870	42.1
377.08456	100.0
379.98907	49.3
682.38556	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	719.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	8.9
71.01265	4.8
73.02834	3.9
88.17381	1.9
89.02314	2.3
93.03368	3.7
93.49217	1.5
98.19767	3.5
99.00780	3.9
101.02327	2.6
108.02073	1.6
113.02361	5.7
114.27406	1.6
117.13205	1.6
119.04921	81.0
120.05266	3.2
121.02864	4.7
150.03159	1.8
176.08308	7.7
179.07034	5.6
204.07864	24.0
205.08498	1.6
209.11765	3.0
217.08582	3.2
218.09305	1.7
219.10229	100.0
220.10551	5.6
245.11844	1.9
339.16016	41.0
340.16272	4.1
340.20233	2.2
356.60733	1.6
413.14471	4.2
413.47403	1.7
455.15686	23.9
456.15912	2.5
633.25653	7.6
675.26599	20.3
676.27008	2.8
687.31952	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	719.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73978	1.6
58.83907	1.4
59.01249	12.7
61.98700	6.1
65.03826	2.0
67.37009	1.7
71.01258	7.1
85.02843	2.9
89.02320	3.7
91.05424	11.9
93.03321	2.8
93.14557	1.6
96.95911	2.0
98.22604	1.7
99.00755	2.4
101.02356	3.6
106.92857	1.7
109.02844	29.9
113.02351	3.0
119.04952	4.3
121.02837	14.2
123.04401	9.9
125.02355	2.1
135.04422	100.0
136.04800	4.3
147.04404	11.3
149.05936	2.1
171.10179	25.6
191.10742	2.3
202.09888	1.8
209.11813	6.8
211.13293	5.5
217.12280	17.5
247.13373	1.7
253.09242	4.9
273.17145	2.0
311.22226	2.6
327.10925	2.1
329.23340	18.4
339.15991	14.4
361.43945	1.6
366.75674	1.7
395.18750	2.4
445.13403	3.5
471.15109	6.1
543.22418	2.4
633.25690	5.3
654.33264	2.2
675.26538	40.7
676.27014	7.3
720.30664	2.3
738.62207	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	717.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96196	0.9
59.01253	100.0
61.98696	4.0
69.88018	6.7
87.42207	1.0
157.42828	1.0
203.68353	1.0
226.03955	0.9
256.82932	1.0
438.09866	1.6
452.10977	1.4
453.11609	1.5
457.19275	1.5
467.13812	1.7
480.14651	1.2
481.10965	2.0
482.12259	1.4
495.16495	1.0
496.13855	13.5
497.14151	8.5
498.15121	1.5
509.14471	1.9
510.15396	3.5
511.15955	7.3
512.17200	2.5
513.17755	4.5
539.19177	3.1
544.15869	5.8
545.16412	2.1
567.18823	10.6
571.18280	10.9
572.18549	3.1
589.19495	2.9
597.19391	1.9
598.20374	3.1
599.12079	2.2
599.21448	31.6
600.21637	5.7
602.16650	3.1
606.20612	1.1
630.19507	2.2
631.20636	2.0
657.22046	15.8
658.22363	3.4
665.75793	1.1
717.24152	60.0
718.24384	16.2
746.64117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85429	1.2
54.66157	1.2
57.03317	1.6
59.01247	5.2
71.01254	5.2
71.04890	3.7
71.29734	1.1
71.58333	2.3
73.02816	1.5
80.20807	1.4
82.44447	1.3
83.01219	1.2
83.04864	1.2
85.02823	2.6
87.00764	1.2
89.00155	1.2
89.02296	3.4
97.02838	2.5
97.06508	1.6
99.00768	13.0
101.02319	4.4
113.02338	3.3
115.72875	1.2
123.09484	1.2
125.09589	7.4
139.39557	1.4
140.38823	1.1
163.11229	7.4
171.10176	4.2
181.12289	12.7
199.13344	12.3
207.08347	2.4
207.10201	26.4
225.11295	40.1
226.11569	2.9
235.08217	1.9
235.69284	1.2
243.12383	7.7
244.12831	1.4
253.09239	2.1
253.49292	1.5
255.23283	100.0
256.23682	6.3
273.99628	1.2
301.51276	1.5
364.99109	1.3
461.20670	2.7
470.52518	1.2
512.32635	1.2
615.45300	1.2
699.43292	4.2
717.44324	95.2
718.44714	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	716.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01028	0.6
59.01255	5.8
61.98687	0.9
64.45168	0.5
71.01252	3.9
71.57532	0.8
73.02806	1.7
75.00750	9.2
75.94112	0.6
76.80050	0.5
83.29617	0.6
85.02821	1.4
89.02306	2.0
96.95898	1.9
99.00759	2.9
101.02321	2.5
108.02056	59.5
109.01584	2.7
109.02367	1.4
110.02328	1.3
113.02339	3.0
116.92795	0.6
125.02374	1.0
150.05511	3.8
157.06477	2.0
161.04541	0.8
163.04002	0.7
171.10178	2.0
184.05193	1.0
185.06009	100.0
186.06308	5.9
191.05440	0.7
193.71545	0.6
209.11745	1.0
211.13394	0.9
336.12421	15.3
337.12662	1.3
339.12152	0.7
359.09625	0.6
560.78754	0.6
630.21899	5.4
672.23340	3.8
673.23340	1.3
747.27509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79187	0.1
59.01245	1.1
60.01592	0.2
61.98702	100.0
70.19257	0.6
71.01260	0.6
85.02870	0.2
87.00772	0.2
89.02318	0.8
95.01272	0.2
97.02869	0.1
98.20563	0.1
101.02343	0.5
110.71486	0.1
113.02373	0.2
119.03336	0.1
120.03698	0.1
125.02371	0.2
197.16797	0.2
211.62314	0.1
255.23262	1.0
255.50331	0.1
256.23672	1.1
257.23892	0.3
258.24036	0.2
290.12408	0.2
303.79449	0.1
340.25064	0.1
397.13541	0.4
398.13895	0.8
399.13956	1.3
400.14258	0.8
416.15018	0.4
417.15421	0.5
418.15405	0.2
422.78885	0.2
455.30045	0.1
666.83221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97572	0.1
58.00447	0.1
59.01252	1.8
60.01584	0.1
61.98705	100.0
62.98407	0.2
71.01259	0.9
71.58562	0.2
72.01618	0.1
73.01671	0.2
73.02836	0.2
83.01279	0.1
85.02831	0.2
87.00771	0.2
89.02303	1.2
89.02727	0.1
90.02666	0.1
97.02831	0.2
101.02330	0.8
102.02689	0.2
103.02749	0.1
113.02354	0.3
119.03415	0.2
125.02349	0.2
126.02642	0.1
143.03349	0.2
161.04491	0.2
193.32275	0.1
231.24344	0.1
235.08179	0.2
237.08746	0.1
255.23273	1.3
256.23642	1.5
257.23889	0.6
258.24164	0.2
286.51697	0.1
345.54843	0.1
397.13568	0.8
398.13818	1.4
399.13947	1.6
400.14310	0.8
415.14709	0.1
416.14981	0.4
417.15073	0.6
418.15726	0.3
444.06158	0.1
554.06140	0.1
712.91882	0.1
717.24353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44362	1.6
53.40299	1.6
59.01237	6.2
69.03333	3.7
71.01253	4.3
89.02322	2.3
94.13205	2.0
101.02307	2.8
110.07239	1.7
127.66574	1.9
139.64261	1.7
143.42825	1.8
146.95497	1.8
159.31561	2.0
161.04448	2.4
161.09630	4.1
175.84201	1.6
179.10672	9.3
197.11775	42.3
216.33781	1.9
229.22372	2.4
253.09216	3.4
255.23276	87.6
256.23520	5.6
279.23459	2.0
302.15170	2.1
370.88776	1.9
715.42682	100.0
716.42926	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	716.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.1
71.01264	5.3
73.02822	3.4
83.01250	1.0
85.02818	1.5
87.00763	0.8
89.02343	1.4
94.02854	9.8
95.01296	1.2
99.00748	5.5
101.02340	3.0
108.02045	10.6
109.02855	1.5
113.02364	5.1
123.47385	0.8
133.06511	1.0
156.05774	0.8
157.20769	0.8
161.04500	1.2
171.04459	1.1
183.04373	4.0
184.04985	0.9
191.05502	1.1
199.03821	1.2
200.04729	49.0
201.05080	2.9
241.08670	5.2
242.09360	1.0
281.76108	0.8
336.12411	100.0
337.12753	12.5
444.36609	0.9
464.96875	0.8
630.21942	11.3
631.22363	1.7
672.22955	10.0
673.23608	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	716.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00434	0.8
59.00986	1.3
59.01252	12.4
69.93129	5.6
71.01247	6.9
73.02813	3.3
82.70119	0.9
85.02807	1.6
89.02314	3.7
94.02892	3.4
95.01289	1.3
96.95860	1.2
98.20472	1.6
99.00773	7.3
101.02312	4.6
108.02042	9.8
113.02358	6.1
125.02312	1.3
129.10695	1.0
133.02872	2.5
145.23859	1.0
172.05147	1.4
177.09239	1.2
183.04480	5.6
191.05557	1.7
195.24443	1.0
199.04008	2.2
200.04732	75.1
201.05064	5.1
203.07101	1.8
208.89427	1.2
221.08153	2.1
265.28864	1.0
312.39832	1.0
336.12424	100.0
337.11011	8.4
337.12619	8.5
472.31967	1.0
489.40454	1.1
539.17700	4.0
630.21948	14.6
631.22095	3.5
640.37616	1.1
672.22876	9.2
673.22052	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	713.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22874	3.8
59.01256	20.0
70.91667	11.8
70.92024	4.9
71.01263	22.1
71.83140	3.8
73.02840	4.0
85.79967	3.9
89.02326	20.7
100.57161	3.5
101.02347	10.0
105.44994	4.0
113.02345	5.5
125.02313	5.0
136.22667	4.5
159.15279	3.9
169.27295	5.1
179.05571	6.8
196.51158	5.0
235.08253	9.7
279.23325	68.7
280.23651	5.6
364.74658	4.8
397.13544	100.0
398.13785	6.7
415.14471	24.1
677.37714	10.0
713.35303	31.6
714.35596	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	715.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41711	2.5
59.01255	15.7
61.04131	2.3
64.38783	2.5
71.01234	12.3
71.57430	2.5
83.01267	4.0
85.02810	7.6
89.02321	10.6
96.95863	3.1
101.02334	4.8
107.01284	5.1
109.02844	5.4
109.98498	2.8
113.02340	5.0
119.03400	4.0
121.02856	3.1
123.00770	9.7
123.04373	18.0
124.01590	5.3
125.02322	7.3
135.04454	3.8
137.02354	36.4
138.03006	3.3
139.03902	11.3
150.03137	5.1
151.03934	49.4
152.04709	31.0
153.05481	5.2
165.05505	2.8
166.99702	2.7
168.00520	5.7
178.02618	16.6
181.01228	3.1
182.02141	7.5
183.02917	31.1
191.03397	2.6
191.05617	3.6
193.05008	14.3
195.02934	4.5
196.03720	64.8
196.05531	3.5
197.04498	18.8
206.08098	3.8
211.06093	13.7
217.57381	2.1
225.07664	4.8
281.69824	2.3
326.06482	3.6
327.07172	14.1
341.08777	14.5
403.89105	2.7
445.88809	2.6
494.50623	2.6
521.12915	7.1
535.14520	36.5
536.14545	7.9
553.15625	100.0
554.15668	10.1
589.04980	2.5
715.20758	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	711.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89316	2.9
52.21299	2.9
52.50440	2.6
54.47888	3.0
55.70135	2.6
58.08173	3.0
59.01253	100.0
71.01270	15.3
71.11661	9.6
73.02830	5.7
80.62631	2.7
85.02827	10.0
85.07300	2.9
93.03333	5.2
96.83678	2.7
96.95889	6.0
99.00874	3.3
101.02339	14.7
106.87115	3.5
113.02321	6.2
123.04391	6.4
125.02299	16.1
135.04404	3.1
137.02310	4.5
140.22543	3.8
151.03932	4.1
161.02344	3.9
161.04558	5.1
175.03954	4.0
177.01843	3.9
181.36719	3.0
191.05573	5.8
206.08162	4.1
235.11789	16.6
277.12936	4.6
445.40714	3.4
460.33698	3.4
576.59644	3.7
656.02142	3.7
732.01831	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	711.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89735	2.0
59.01245	9.5
68.86635	2.0
71.01247	3.5
71.13750	4.6
76.50720	2.1
78.95781	2.8
89.02311	4.9
97.10193	2.0
101.02329	4.8
151.11208	16.4
169.12263	100.0
170.12604	4.1
213.11287	11.2
279.23315	30.5
280.23587	4.0
323.30331	2.0
449.20282	9.0
527.14441	2.3
711.43262	80.0
712.43921	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	713.2603
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
57.25442	1.0
59.01240	4.6
61.98687	4.7
71.01239	1.5
72.89945	1.0
83.49978	1.0
85.71152	1.0
89.03834	1.8
90.39510	1.1
93.57102	1.1
96.95845	1.5
105.03341	1.5
106.04141	1.2
109.02806	1.9
110.89167	1.2
117.03319	5.3
119.04908	4.3
121.02850	4.6
126.58464	1.3
132.02071	9.6
133.02867	14.8
134.03633	86.2
135.04436	34.4
135.95657	1.1
136.04756	1.3
137.02339	10.8
139.02060	1.2
139.03896	2.4
140.99397	1.3
147.04401	4.4
148.05235	3.0
148.99600	1.3
149.05971	8.0
160.01561	27.4
161.02351	19.7
163.03842	1.1
171.10175	3.5
175.03922	22.7
176.04185	2.1
178.02660	8.0
179.03406	16.9
185.11763	6.1
193.03319	2.2
193.04990	27.8
201.11295	6.7
207.06538	4.7
229.38240	1.7
253.09093	1.5
292.37033	1.2
293.21164	2.7
303.60980	1.3
309.20532	2.8
369.13519	2.5
371.15250	1.6
378.90286	1.2
383.15018	1.6
505.19012	1.8
519.19983	1.3
537.21344	5.2
713.26013	100.0
714.26404	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47504	0.3
57.03330	0.5
58.09544	0.3
59.01250	6.8
61.98697	0.4
69.46349	3.2
71.01254	4.0
72.99179	0.3
73.02815	1.5
75.00751	0.8
78.27288	0.3
83.01279	0.8
85.02826	2.5
85.88540	0.3
87.00778	0.5
89.02318	1.3
91.05421	0.4
93.03349	0.8
95.01287	0.5
96.95893	0.9
99.00774	1.6
101.02331	2.6
103.86375	0.3
109.02868	0.5
113.02318	2.5
117.03358	0.6
119.01241	0.4
119.03417	0.7
119.04907	1.1
121.02837	8.7
122.06147	0.4
122.37774	0.4
123.04432	0.6
123.72801	0.4
125.02353	1.2
132.02081	0.9
134.03598	0.6
135.04390	1.2
137.02385	1.0
141.27322	0.3
146.93347	0.4
147.00790	0.4
147.04424	3.6
149.02348	57.3
150.02667	1.7
151.03908	0.7
152.01059	0.6
159.02890	0.4
161.02322	0.4
161.04486	0.8
163.03941	0.9
164.04703	42.9
165.05063	1.9
166.84679	0.4
166.90807	0.3
173.05974	0.9
175.00325	2.7
177.01869	1.0
178.02673	0.4
179.03412	0.4
179.07050	4.9
190.02641	7.2
191.05493	0.7
193.01375	0.7
205.05006	10.7
208.03740	1.5
223.06073	100.0
224.06372	4.7
331.24881	0.9
447.59781	0.4
487.25302	0.8
505.26328	0.7
651.39343	0.6
693.38202	0.4
711.31982	4.7
712.32568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	27.2
69.43595	17.8
69.44003	54.4
71.01286	14.7
85.02882	8.7
85.47997	7.1
89.02322	24.1
94.16943	8.4
98.19769	7.7
101.02338	14.2
113.02345	11.8
147.10059	7.4
161.04402	9.3
177.50095	7.1
234.38635	8.9
235.08192	9.2
277.21732	52.3
397.13550	100.0
398.14352	9.3
415.14737	26.8
617.47675	9.2
695.25726	9.3
711.34070	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.6
57.03324	1.7
59.01249	10.9
60.53683	1.0
69.16002	0.9
69.38979	9.3
71.01257	17.9
72.99181	2.0
73.02827	12.1
76.08244	0.9
83.01255	6.3
84.02006	1.1
85.02827	6.5
87.00768	1.2
89.02311	6.8
89.19929	0.9
90.17355	1.1
91.79099	0.9
95.01260	1.3
95.54511	0.9
96.95892	4.9
98.20580	2.1
98.95500	1.0
99.00762	40.3
101.02322	21.3
107.24034	1.0
109.02853	2.8
111.00775	1.3
113.02319	8.8
121.02860	1.3
123.00726	4.6
123.04391	1.1
124.01527	1.9
125.02316	3.8
131.03448	2.5
135.04410	0.9
137.02359	11.8
138.03001	1.2
139.03905	3.0
143.03401	3.5
147.04427	1.1
149.02362	2.4
151.00275	27.9
151.03883	1.8
152.00992	2.9
152.04761	1.9
153.01857	1.5
153.05547	1.2
159.04396	1.5
161.04501	5.9
163.03893	1.7
166.02637	90.0
167.03197	4.4
175.03874	4.6
177.01863	5.4
177.05385	1.3
178.02788	1.4
179.03409	1.4
181.04996	100.0
182.05330	4.0
184.03706	1.6
188.04634	1.2
189.05429	0.9
190.02705	1.1
190.06238	3.4
191.03442	5.7
191.05537	10.7
192.04175	2.0
193.04964	2.9
194.45757	1.0
203.03429	1.1
205.04980	5.8
205.08615	1.2
206.05807	4.3
207.06546	1.7
209.04382	1.8
219.06598	1.6
220.07375	1.6
221.08179	4.7
223.06055	1.2
233.08157	1.8
235.06137	2.0
236.06825	1.1
293.08762	7.6
339.08994	1.5
353.10202	1.6
357.09732	1.4
359.11453	2.1
369.09674	3.2
372.12061	3.9
373.12753	2.0
384.12170	3.1
387.10754	16.4
387.14648	10.5
388.11154	2.6
399.14505	37.8
400.14783	2.7
402.13162	13.5
403.14200	5.0
409.52493	1.0
417.15536	94.9
418.15988	7.4
418.20609	1.1
475.14584	1.1
542.33252	1.0
681.23877	6.3
682.24622	1.6
693.24109	9.9
694.24036	1.7
711.25073	37.5
712.25458	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	711.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99782	0.7
55.01756	0.7
57.03321	0.8
59.01252	100.0
60.01589	0.7
61.78336	0.7
67.99698	0.7
69.71235	4.9
71.01248	9.4
72.99171	0.8
73.02820	4.4
77.05956	0.6
79.10815	0.7
83.01270	2.0
85.02817	5.5
89.02311	1.6
96.95904	2.8
98.19892	1.3
99.00781	2.8
101.02326	6.9
113.02336	4.9
116.92752	0.7
123.04380	0.9
125.02335	1.5
135.04401	0.7
136.41428	0.9
137.02354	0.8
149.04446	0.7
151.03908	1.1
159.02921	1.0
161.04503	4.6
191.05589	3.6
268.70609	0.7
269.10327	12.6
270.10721	0.8
289.07272	0.9
303.90768	0.7
311.11301	4.1
343.04739	0.7
427.76382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11749	0.7
59.01250	5.7
71.01254	6.8
72.99184	3.9
73.02827	3.5
76.71762	0.7
81.03335	1.1
83.01260	2.1
85.02834	2.2
85.67461	0.7
89.02301	2.5
91.21082	0.7
93.03353	1.3
96.95879	2.6
97.02853	0.8
98.95412	1.2
99.00761	13.0
101.02328	7.3
107.04895	0.9
109.02856	1.8
113.02322	3.2
121.02834	5.2
122.03635	5.9
123.04408	19.2
123.05296	1.5
125.02334	2.6
131.03381	1.3
133.02817	1.3
135.04430	1.5
136.01564	1.0
137.02333	12.8
143.03374	1.6
143.80328	0.7
147.00760	0.9
147.04424	1.4
149.02353	24.9
149.05933	0.8
150.03134	18.8
151.03920	51.5
152.01079	0.8
152.04721	15.1
161.04466	2.0
163.03851	0.9
164.04713	12.9
165.01854	0.9
165.05325	2.2
167.07053	3.0
175.00293	6.5
176.01060	1.9
177.01869	2.3
178.02638	74.0
179.03180	5.5
179.06992	1.6
190.02654	11.4
191.03394	6.4
191.05510	3.9
193.04991	100.0
194.01982	0.9
194.05275	4.4
195.02933	8.1
196.03693	16.9
196.70589	0.6
205.05009	9.6
208.03706	2.1
209.04475	5.4
210.05313	1.7
211.06076	5.1
223.06082	18.4
224.06403	1.0
293.08865	2.2
341.10855	0.7
341.61655	0.7
355.10373	1.8
377.94031	0.7
387.24652	0.8
397.05304	0.7
398.92831	0.9
465.00458	0.8
487.14609	39.4
488.14963	2.7
490.13879	1.2
501.15344	0.7
505.15640	89.7
506.16006	7.6
519.17175	0.9
563.64801	0.9
579.38483	0.7
645.13824	0.8
693.20770	0.9
711.21399	21.7
712.21484	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98975	0.7
59.01262	6.5
60.24231	0.7
69.03344	1.0
71.01250	6.1
71.58482	1.4
73.02804	1.6
74.33891	0.7
80.96404	1.5
85.02833	1.2
87.00755	1.0
89.02312	3.5
94.50301	0.8
97.06453	4.3
101.02315	4.9
101.43800	0.8
113.02328	2.9
118.54351	0.9
119.03428	0.9
122.49676	0.9
145.04900	0.8
151.11177	12.2
152.11647	1.0
169.12260	100.0
170.12585	3.4
187.47691	0.9
195.10260	2.3
211.13300	1.9
213.11253	13.5
235.08170	1.7
253.09239	4.0
255.23268	1.2
277.21725	29.1
278.22037	2.3
279.23297	1.8
301.44092	1.0
308.76035	0.9
431.19229	3.7
449.20288	10.3
461.55487	0.8
494.35849	0.9
709.41632	74.2
710.42181	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	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.0
58.18491	1.2
59.01257	6.2
61.62159	1.1
69.03313	1.2
70.67762	3.5
71.00896	1.0
71.01248	6.4
73.02810	2.0
78.95759	1.9
83.25178	1.2
85.02821	2.2
85.79501	1.0
87.00758	1.2
89.02297	2.3
95.04942	1.6
97.06471	8.0
100.76624	1.2
101.02325	7.3
106.92496	1.3
111.74364	1.3
113.02343	1.8
120.91333	1.0
138.51158	1.3
145.04971	1.2
151.11192	21.1
152.11580	1.4
152.99559	2.2
156.36296	1.0
161.04480	2.1
169.12254	61.0
170.12669	1.8
172.39641	1.3
175.77187	1.1
195.10217	4.4
211.13333	3.8
213.11256	13.0
235.08258	2.4
253.09293	4.2
255.23228	1.7
272.27100	1.2
277.21716	71.8
278.22110	7.7
279.23236	2.5
287.40186	1.2
315.13983	1.2
431.19153	3.4
449.20184	4.6
466.53372	1.3
709.41669	100.0
710.42102	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01181	0.5
55.01769	0.8
57.03315	1.7
58.00460	1.8
59.01252	20.7
59.82333	0.4
61.98705	0.7
62.52784	0.5
64.55282	0.5
69.03329	1.2
71.01255	15.0
71.14027	1.1
72.99157	0.9
73.02821	1.8
75.00741	0.9
79.72885	0.5
81.03318	0.7
81.79935	0.5
83.01245	1.6
83.04885	1.0
85.02824	4.8
87.00748	3.7
89.02319	13.4
95.01264	1.2
96.95882	1.9
97.02800	2.5
99.00739	0.9
99.08016	1.6
101.02322	11.4
109.02805	0.7
113.02332	5.8
113.09605	2.0
114.02644	0.5
119.03394	3.4
121.02788	0.9
121.10140	0.6
125.02354	4.0
125.09608	0.6
129.09106	2.6
130.88089	0.4
131.03423	0.9
135.04366	0.7
139.11165	2.3
143.03395	2.0
151.11139	0.6
151.45322	0.5
155.10690	0.6
161.04454	2.2
169.12231	1.9
171.10162	5.4
171.69553	0.5
175.02701	0.5
179.05516	3.1
181.12227	2.4
183.13797	1.4
185.04390	0.6
185.11688	0.7
191.05289	0.6
193.12317	2.5
197.11797	4.4
199.13365	2.8
201.31134	0.5
207.10219	0.5
209.11641	0.7
211.13332	11.1
221.06633	1.2
227.12865	0.8
235.08191	2.4
249.22244	0.7
253.09247	0.8
263.07727	1.0
275.20151	0.9
287.07901	0.7
293.21194	12.6
294.21555	0.7
305.08762	0.5
311.22263	100.0
312.22620	9.7
391.99814	0.6
397.13495	17.6
398.13965	1.4
415.14554	22.2
416.15042	1.7
567.90887	0.6
709.40771	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	709.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41063	0.6
55.01771	0.7
57.03315	1.7
57.39316	0.5
59.01254	17.6
63.72341	0.5
65.98871	0.6
69.03318	0.7
70.88633	1.1
70.88976	0.8
71.01256	14.0
72.99194	1.0
73.02817	2.0
78.15131	0.5
80.03097	0.6
81.03339	0.6
83.01235	1.6
83.04916	0.8
85.02828	3.2
87.00740	3.1
89.01398	0.5
89.02313	12.1
93.03384	0.6
95.01265	0.8
95.33260	0.5
96.95905	0.7
97.02807	2.1
99.00746	0.8
99.08030	1.7
101.02322	9.4
111.08022	0.6
113.02324	5.7
113.09598	1.3
114.81462	0.6
119.03380	3.5
121.10123	0.6
125.02317	2.4
125.09538	0.6
125.48679	0.6
127.07563	0.7
129.09074	2.2
139.11197	1.8
143.03357	2.1
156.61536	0.5
161.04462	2.5
165.12697	0.8
169.12263	0.8
171.10173	5.5
179.05551	2.4
181.12239	2.6
183.13849	0.9
193.12260	1.5
197.11775	3.0
199.13336	2.5
209.11697	0.7
211.13330	11.0
221.06570	1.7
235.08273	3.5
253.09267	0.9
257.04404	0.7
263.19046	0.5
275.20139	0.7
287.07709	1.0
293.21240	10.3
294.21338	0.6
305.08670	0.7
311.22263	100.0
312.22665	10.6
323.10065	0.5
347.69409	0.6
397.13498	21.3
398.13776	1.3
415.14569	24.8
416.14682	2.4
709.37238	2.6
710.37402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74000	4.2
59.01244	39.7
59.51959	4.5
71.01248	16.1
71.58536	5.9
73.02794	6.1
78.95781	5.4
80.90311	4.3
93.03333	7.6
96.95877	7.9
100.17863	4.3
101.02300	7.6
109.02866	4.9
109.06472	5.5
109.18732	4.4
119.04921	65.8
121.02839	6.5
127.99913	5.5
135.04424	14.5
171.10181	8.0
179.03413	6.4
183.13837	25.2
199.09698	36.3
207.10191	13.8
209.11761	16.1
211.11493	6.6
211.13348	100.0
225.11269	14.6
227.12773	8.4
235.08197	7.6
253.09326	17.4
257.04599	8.7
299.09274	7.2
300.09576	5.7
339.16089	9.0
362.64618	5.5
369.13559	10.4
375.21805	7.6
431.50513	5.4
435.19913	5.4
447.22067	6.4
449.54114	5.0
467.08929	5.2
629.32385	8.1
655.33258	9.6
709.30029	7.3
739.99731	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	709.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43055	0.4
57.03318	0.9
58.00462	1.0
59.01253	20.2
65.46046	0.5
69.03326	0.7
71.01254	12.3
71.14420	0.5
72.99171	0.7
73.02807	1.9
73.25559	0.5
81.34002	0.5
83.01300	1.2
83.04889	0.5
85.02830	3.3
87.00775	2.4
89.02319	13.6
93.15245	0.5
94.67436	0.5
97.02824	1.9
98.19763	1.0
98.20432	2.0
99.00743	0.9
99.08010	1.4
101.02328	11.1
113.02338	5.4
113.09612	2.2
119.03382	3.6
125.02336	3.7
127.07638	0.6
129.09119	4.0
131.03384	1.2
138.70808	0.5
143.03377	2.1
149.04446	0.5
155.10648	0.5
161.04462	1.6
161.71802	0.4
167.68709	0.5
169.12230	2.4
171.10176	1.5
179.05556	3.9
181.12254	3.7
183.13748	1.9
193.12289	0.7
197.11768	8.7
199.13339	3.7
209.11772	0.5
211.13329	12.2
212.13670	1.2
235.08199	3.2
253.09262	0.8
275.20209	0.7
293.21237	9.1
295.22717	0.7
305.08810	0.7
311.22269	100.0
312.22647	8.8
397.13464	20.2
398.13733	1.5
415.14572	22.8
416.15024	2.3
709.36200	6.1
710.36981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26439	1.2
59.01254	25.3
59.55990	1.3
59.68575	1.2
69.03316	1.5
71.01256	7.6
71.14101	3.2
73.02811	4.1
85.02813	2.1
87.00745	1.4
89.02321	3.6
93.03343	2.2
96.95879	3.7
97.02840	2.0
101.02325	5.8
109.02831	4.4
109.06493	4.1
113.02335	2.1
119.04916	4.6
121.02868	3.2
125.09541	1.5
127.11144	2.2
134.03654	1.5
135.04439	7.8
137.09619	1.9
145.04997	1.6
145.91435	1.2
146.97713	1.5
155.10658	2.5
161.04546	2.3
163.11159	3.2
166.37514	1.5
171.10181	8.3
176.03041	1.2
181.08589	3.6
181.12199	1.4
183.13826	11.6
193.12253	1.6
196.49997	1.3
199.09697	36.6
201.11201	1.9
207.10210	16.0
209.11752	5.6
211.13347	100.0
212.13693	3.4
215.12762	1.9
225.11284	11.0
235.08157	5.8
253.09261	9.4
279.06561	3.0
293.38809	1.3
337.11166	1.6
353.13864	4.4
355.15573	1.7
357.20752	1.6
375.21707	4.3
399.91071	1.5
401.23196	3.4
417.17630	2.0
419.24207	1.8
435.18420	5.2
447.22134	3.1
461.20236	3.4
497.58847	1.4
498.84604	1.5
537.30170	1.5
593.29791	5.3
611.30859	4.9
612.31372	1.7
614.58313	1.3
629.31409	4.1
637.32068	4.7
655.33331	5.1
704.25067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96339	2.9
59.01244	14.0
63.04831	2.7
65.03824	5.0
75.73124	2.5
79.51559	2.7
88.37565	2.7
91.05396	10.0
93.03329	5.0
108.01999	2.5
109.02839	73.6
110.09465	2.6
119.04912	4.3
121.02843	28.3
133.02843	9.8
135.04410	63.2
136.00449	2.8
137.02347	8.5
147.04420	10.1
149.02234	2.5
159.04413	5.0
160.01534	4.7
163.03877	3.3
175.03937	4.4
185.02365	4.0
189.09073	2.8
191.07095	9.9
197.11778	12.8
203.07016	7.0
204.07784	4.7
205.08678	18.2
217.08649	9.8
218.09418	19.2
219.10178	23.5
223.07526	3.9
225.05621	6.3
227.07045	4.8
228.07889	5.4
229.08647	26.3
230.09209	4.6
233.11687	7.5
238.06223	3.3
243.10213	27.9
245.11794	5.7
251.07109	8.4
267.06870	4.1
293.21103	5.9
295.06213	10.5
321.11459	3.2
335.12851	5.2
338.11584	24.6
351.12369	3.7
353.13928	100.0
354.14221	8.2
355.15494	26.2
356.15692	3.5
363.12033	3.3
364.13043	5.8
365.13699	5.9
379.15582	10.0
463.17856	4.0
471.18286	13.3
475.17642	3.7
489.19052	11.1
599.26721	15.0
681.76196	2.9
691.29254	7.3
709.29901	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	707.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82214	0.3
59.01257	2.2
71.01246	2.1
73.02802	0.6
85.02859	0.4
87.00729	0.5
89.02317	1.3
90.31622	0.3
99.76916	0.3
101.02334	1.5
113.02333	0.9
117.39708	0.4
118.52847	0.3
119.03380	0.6
120.50224	0.3
139.13481	0.4
161.04463	1.0
167.10641	0.4
167.14333	0.7
179.05498	0.5
183.13841	6.0
184.14282	0.4
193.12314	1.7
197.49316	0.3
211.13344	100.0
212.13654	4.8
235.08195	1.4
253.09265	6.1
275.19888	0.4
277.21719	47.6
278.22043	3.9
429.21078	0.6
446.76077	0.4
447.22321	4.0
461.19748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.8
71.01241	2.7
73.02838	0.4
87.00745	0.6
89.02335	1.9
98.19752	0.9
101.02313	2.0
113.02340	0.9
115.29786	0.4
119.03391	0.4
145.04947	0.4
161.04471	1.3
167.14291	1.0
170.45332	0.5
170.86499	0.4
179.05635	0.5
183.13846	6.1
193.12286	1.9
202.39410	0.4
209.11795	2.2
210.12163	0.8
211.13350	100.0
212.13675	5.8
222.79208	0.5
235.08223	1.1
253.09279	6.4
277.21732	51.9
278.22067	5.6
279.23230	1.4
332.03427	0.4
355.54364	0.5
429.21280	0.7
447.22369	3.4
448.22314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	15.0
65.03823	11.1
71.59102	7.8
76.79286	4.0
85.57299	5.7
91.05403	14.8
93.03334	4.9
95.67893	3.7
109.02831	66.4
119.04929	7.1
121.02839	22.5
133.02859	9.7
135.04419	100.0
137.02344	6.3
138.30472	5.3
145.60120	4.2
147.04373	12.3
159.04538	6.2
163.03922	6.6
185.02380	8.8
188.47134	5.1
191.07158	6.9
197.11726	18.6
199.13272	4.7
203.06989	7.3
204.07822	9.7
205.08682	9.6
206.09532	4.8
215.07008	4.5
217.08636	7.9
217.12169	4.9
218.09441	18.3
219.10236	20.6
221.08293	5.8
229.08643	32.5
232.07530	4.9
233.12010	4.8
243.10205	27.6
245.11681	8.2
247.09557	5.2
251.07120	9.9
255.06662	9.4
269.08142	5.3
293.21155	9.4
295.06055	11.6
338.11533	20.0
339.16260	4.5
353.13977	88.8
354.14258	8.1
355.15521	28.7
356.16083	5.2
365.13971	5.8
369.13397	13.9
379.15521	11.3
471.18274	12.4
489.18997	11.6
599.26501	13.7
691.29297	5.5
709.29669	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	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33322	0.6
55.01748	1.0
57.03320	2.1
58.00465	1.9
59.01255	37.8
65.14249	0.6
69.03326	2.6
71.01254	28.8
71.54637	1.3
72.99181	1.9
73.02812	4.6
75.00729	0.7
81.03333	1.7
83.01266	2.6
83.04889	1.0
85.02818	6.1
87.00745	4.9
89.02321	24.7
95.01255	1.3
97.02834	11.6
97.06477	0.8
99.00759	1.7
101.02322	18.7
111.08069	4.7
113.02340	10.1
119.03399	6.8
119.04920	1.2
119.08565	0.8
125.02325	5.9
125.09618	1.9
131.03374	1.1
137.09625	1.8
143.03391	2.6
149.04456	1.2
155.03409	0.7
161.04466	4.5
162.10516	0.8
163.11189	2.5
165.09160	0.8
165.12759	4.1
169.12241	2.1
171.10201	8.5
179.05542	4.9
181.12196	1.9
183.13829	1.7
185.11804	1.2
197.11769	22.2
198.12079	1.3
199.13272	1.3
207.10300	1.5
208.61731	0.6
209.11726	3.6
210.12077	0.9
211.13388	4.5
221.06693	1.3
225.11191	0.9
227.12831	3.3
235.08183	5.8
247.20470	3.4
253.09212	2.1
263.07770	1.4
263.20160	1.7
273.18521	1.8
287.07739	1.5
291.19684	37.0
292.19955	3.4
305.08923	1.4
309.20718	100.0
310.21030	9.5
323.09839	1.9
334.21402	0.7
397.13498	31.7
398.13867	2.6
412.12866	0.7
415.14575	34.3
416.15027	3.6
469.31879	0.8
654.75763	0.9
707.35107	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.3
57.03302	0.9
58.00457	2.0
59.01253	30.2
60.44550	0.6
69.03314	2.2
69.28533	0.6
69.28868	6.7
71.01256	22.8
72.99176	1.5
73.02820	4.5
75.00732	1.0
76.99308	0.6
81.03360	1.3
83.01250	2.6
83.04904	1.0
85.02824	4.8
87.00749	3.4
89.02322	21.6
91.03905	0.6
93.03348	0.8
93.06963	0.9
95.01265	1.1
97.02831	3.0
97.06499	0.6
99.00747	2.2
101.02326	18.6
110.53490	0.5
111.08052	17.4
112.08279	0.6
113.02340	7.2
117.90804	0.6
119.03387	6.4
123.08051	0.7
125.02353	5.7
126.43562	0.7
131.03384	0.7
135.04411	0.8
143.03407	3.5
149.04456	0.8
151.11183	1.3
153.12720	1.7
161.04465	4.3
163.11151	0.6
169.12277	5.6
171.10168	1.0
179.05534	5.9
179.10733	0.9
181.12262	1.6
183.13771	0.7
194.16476	0.7
197.11771	66.4
198.12082	3.5
199.13354	4.2
207.10121	1.1
209.11772	2.2
211.13281	6.8
221.06679	1.2
225.11250	0.8
225.14871	2.2
227.12880	3.1
235.08221	4.6
253.09343	1.4
263.20059	3.8
265.18042	1.8
287.07724	1.1
291.19656	17.6
292.20032	1.3
305.08932	0.8
309.20706	100.0
310.21039	10.5
323.10049	0.7
336.35077	0.7
379.12384	0.7
397.13528	23.9
398.13858	2.0
415.14594	33.9
416.14981	2.9
471.88162	0.6
707.34766	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	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.5
57.03323	4.0
58.00472	2.3
58.46009	0.4
59.01252	32.9
60.01617	0.5
67.01788	0.7
67.42107	0.3
69.03323	2.2
71.01252	31.2
71.04932	0.9
71.59041	0.5
71.59426	0.4
72.01639	0.4
72.99175	2.3
73.02818	4.9
75.00780	0.7
80.02575	1.0
80.96400	0.5
81.03336	2.6
83.01257	6.5
83.04894	3.4
85.02822	6.4
85.03273	0.5
87.00751	6.2
89.02318	28.9
90.02676	0.6
91.03925	0.6
93.03364	1.1
95.01267	1.8
95.04947	1.7
96.95934	0.9
97.02824	6.2
97.03385	0.5
97.06470	3.0
98.03631	0.6
99.00772	2.5
99.04435	0.5
99.08075	0.9
101.02323	21.9
106.04152	0.5
108.02121	0.4
109.02854	0.8
109.06527	1.3
111.00787	0.5
111.04429	0.8
111.08092	1.2
113.02329	11.6
113.09661	0.9
119.03392	8.7
121.02908	0.7
123.04379	1.9
123.08046	2.0
125.02325	8.4
125.06018	1.4
125.09609	3.6
127.11210	1.1
129.09116	0.7
131.03453	1.4
133.04932	0.6
135.04439	0.3
135.08069	0.8
137.09676	1.2
139.03928	0.8
139.11174	2.9
141.01878	1.2
141.09135	0.5
143.03381	3.4
148.05223	0.4
149.04485	1.4
149.09612	0.5
151.11194	4.5
153.12744	0.7
161.04469	5.0
161.09576	0.5
163.11192	4.1
165.12767	13.3
166.13078	0.5
167.03404	0.5
167.10736	2.4
169.12251	0.6
171.10219	0.9
177.12784	0.6
179.05531	5.8
179.10760	1.4
179.14317	0.7
181.01825	0.4
181.12248	5.7
183.13779	2.4
184.08688	0.4
185.04483	0.8
185.11789	0.5
187.87415	0.4
189.12776	0.4
191.05574	0.8
191.10689	3.6
193.12303	0.8
193.15855	2.4
195.10077	0.4
197.11836	1.0
199.05923	0.4
204.98006	0.4
207.10226	1.1
209.11772	44.9
210.12106	2.2
211.13351	1.5
217.07033	0.6
219.45154	0.4
221.06551	1.9
223.13379	0.5
225.11365	0.9
227.12833	5.7
235.08183	7.5
245.06659	0.6
247.20651	8.2
248.21104	1.0
253.09216	2.9
263.07855	2.0
263.20224	0.7
265.21707	5.7
266.22067	0.8
273.18567	2.3
277.09241	0.5
281.21155	0.8
283.22745	1.7
287.07776	1.2
291.19659	54.9
292.19992	5.5
305.08795	1.4
309.20700	100.0
310.21057	8.9
311.22247	0.9
323.09756	1.1
327.21722	1.7
337.10596	0.7
379.12750	0.4
397.13467	38.0
398.13898	2.5
415.14557	32.9
416.14893	3.2
607.26141	6.6
608.26288	1.0
653.54962	0.4
689.33490	1.2
707.34717	5.7
708.34698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14627	1.2
55.01764	2.0
57.03314	4.5
58.00469	1.5
59.01254	42.6
61.98695	2.0
69.03326	3.8
71.01257	37.4
71.58691	2.1
72.99176	3.7
73.02831	6.1
80.02538	1.9
81.03333	2.7
83.01257	6.2
83.04890	3.4
85.02825	9.7
85.83871	1.0
87.00749	7.6
88.98678	1.4
89.02318	34.3
93.03329	1.6
95.01279	1.6
95.04892	2.9
97.02840	5.9
97.06466	1.8
99.00755	3.4
99.93832	1.1
101.02333	26.3
113.02329	11.7
113.09550	1.4
119.03388	8.4
119.04865	1.3
123.04466	2.0
123.08066	1.5
125.02362	8.7
125.05967	1.6
125.09638	5.6
139.11148	3.2
141.09131	1.2
143.03358	4.1
151.11195	4.1
161.04439	7.1
163.11176	5.3
165.12776	13.0
167.10721	3.1
171.10182	1.9
179.05518	7.4
179.10593	1.8
181.12389	6.0
183.13803	2.3
191.05624	1.7
191.10764	3.3
193.15913	2.5
207.10158	1.7
209.11775	46.9
210.12126	3.6
211.13368	3.4
215.12859	1.8
221.06665	2.2
225.11411	1.2
227.12860	4.7
230.66055	1.4
235.08224	9.1
247.20648	9.8
253.09218	4.2
265.21793	8.4
273.18616	3.2
283.22763	2.4
291.19672	61.5
292.19980	3.1
305.08960	1.5
309.20718	100.0
310.21161	6.0
397.13513	39.1
398.13782	2.8
415.14600	41.3
416.15036	2.3
572.32013	1.4
607.26031	8.1
707.34589	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	707.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55201	0.1
54.30158	0.1
57.03334	0.1
59.01239	0.6
60.77893	0.1
67.01756	0.2
69.03313	0.1
70.14693	0.2
70.15100	0.3
71.01246	0.4
73.02832	0.2
73.61800	0.1
81.03326	0.2
83.01276	0.1
83.04894	0.2
85.02821	4.5
87.00743	1.1
93.03339	2.1
99.04388	0.2
109.02832	0.5
111.04402	0.7
127.03901	1.4
133.02863	0.6
135.04419	1.1
137.02330	0.2
143.03423	0.1
161.02354	1.7
171.02905	0.4
173.04472	1.3
179.03426	1.0
191.05537	100.0
192.05876	3.2
193.06038	0.1
273.38208	0.1
283.19299	0.1
351.24966	0.1
353.08752	10.1
354.09103	0.8
356.14771	0.1
364.67175	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	707.347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	11.0
59.01253	52.1
66.81979	2.1
69.03310	5.6
71.01255	58.6
71.04873	2.1
72.99167	3.8
73.02827	6.9
78.48499	2.3
81.03335	3.8
83.01265	5.0
83.04893	6.1
85.02823	12.9
87.00755	13.9
88.98699	2.8
89.02323	41.7
95.01273	2.7
95.04909	2.3
97.02838	7.0
97.06468	4.6
98.19820	4.5
101.02335	36.2
111.08016	4.1
112.10740	2.1
113.02320	16.1
113.09624	4.6
119.02701	2.1
119.03370	12.6
121.02980	2.0
125.02343	11.8
125.09591	2.9
131.03375	3.4
140.29701	2.0
143.03368	2.9
151.11195	25.6
153.12752	2.9
161.04468	8.0
163.11185	4.3
165.12762	31.8
169.12326	2.9
171.10181	3.5
179.05531	9.6
179.10709	5.0
181.12259	28.9
183.13797	7.0
191.05496	6.0
191.10681	14.4
209.11780	100.0
210.12138	5.6
211.13399	5.7
221.06653	2.4
225.11264	2.4
227.12857	35.5
228.13066	2.6
235.08189	8.4
247.20590	3.7
253.09348	2.8
263.07846	4.6
263.20135	2.6
265.21622	17.5
281.21210	3.8
288.69611	2.3
291.19708	13.6
309.20718	59.3
310.21155	2.6
397.13507	59.4
398.13889	5.9
415.14560	41.2
438.77155	3.0
476.96973	2.3
607.26025	44.2
608.26581	5.4
617.34790	2.4
707.34375	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	705.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98943	31.8
60.78740	29.7
71.15678	68.1
72.99879	27.6
73.39091	28.5
138.89157	32.0
160.23444	29.7
210.10640	35.0
224.32544	27.8
234.17776	28.8
235.84769	29.5
277.21719	100.0
395.26141	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01392	2.4
57.03313	3.5
59.01249	27.0
64.06484	2.2
71.01253	15.4
73.02826	3.5
76.18059	2.7
83.01263	4.1
83.04844	2.3
85.02824	8.2
87.00761	5.3
89.02332	6.2
96.95897	6.1
98.20656	4.8
99.00747	3.3
101.02303	6.4
109.02838	4.7
113.02284	4.4
115.00166	2.8
119.03332	3.4
119.04936	17.1
121.02838	2.9
123.08018	3.0
125.02354	7.3
125.09614	4.3
135.04430	8.0
137.02370	3.2
138.98518	3.5
139.99251	15.5
151.03960	5.8
161.02487	2.7
164.04826	3.9
166.97859	4.4
171.10181	5.6
175.02490	3.0
179.03325	2.7
191.05473	9.2
191.98749	4.6
192.99588	7.9
193.03214	5.9
197.11804	14.1
198.12093	2.9
201.11258	7.6
203.07143	4.5
204.99573	18.6
206.00323	7.2
207.04735	21.0
208.05479	7.7
209.06233	3.6
209.11751	15.8
210.12131	4.3
221.06393	13.5
225.11238	5.0
235.04373	5.9
236.05081	44.0
237.05875	17.4
248.05142	38.0
249.05882	95.8
250.06195	6.4
251.07434	10.2
355.10114	16.8
356.10822	56.4
357.11273	8.7
359.64136	2.9
371.13190	100.0
372.13654	9.0
397.13458	2.7
544.19043	2.9
559.40430	2.9
560.17297	15.5
561.17712	3.7
575.19537	88.9
576.19562	12.4
662.21991	2.9
687.32428	5.0
688.32269	9.5
695.21533	3.2
705.34045	4.3
706.34070	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	707.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23560	0.2
59.01239	0.5
67.01743	0.3
70.58206	0.7
71.01271	0.5
76.88158	0.2
78.47680	0.2
83.04915	0.3
85.02827	6.7
87.00762	1.2
93.03339	2.8
96.95901	0.4
103.69913	0.2
109.02834	0.6
111.04401	0.8
127.03903	1.4
127.04782	0.2
133.02869	0.7
135.04420	1.2
136.04758	0.4
155.03264	0.3
161.02341	1.5
171.02991	0.5
173.04445	1.7
179.03482	1.1
191.05544	100.0
192.05864	3.9
349.00394	0.2
351.07230	0.3
352.07382	0.4
353.08749	9.4
354.09119	0.8
409.36459	0.3
502.61249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	13.6
61.98706	1.6
62.20599	0.9
66.43394	0.9
71.01256	10.6
71.14217	2.2
73.02820	1.7
74.25882	0.9
79.95627	1.2
80.02539	1.4
80.96395	4.4
81.03329	1.5
83.01270	1.7
83.04912	3.7
85.02838	3.1
87.00755	2.6
89.02317	5.6
94.97937	1.2
95.01194	1.3
96.95885	1.7
99.00723	2.2
101.02331	7.0
108.02133	1.0
113.02332	4.2
116.61267	0.9
118.66512	0.9
119.03358	1.1
123.04433	1.3
139.73289	1.0
139.85873	0.8
161.04489	3.0
163.11177	3.8
165.12769	8.1
169.12228	1.5
171.10199	3.5
181.12263	1.8
183.13832	100.0
184.14214	4.4
191.10707	1.7
199.13351	5.2
207.10213	2.7
209.11777	59.4
210.12082	3.3
211.13322	11.4
225.00702	1.7
225.11304	5.5
227.12845	13.2
235.08313	4.5
243.12404	1.1
248.82626	1.1
253.09227	7.9
259.47437	1.0
307.19171	1.9
307.84564	1.0
309.10355	1.6
428.70480	1.0
432.61118	1.0
445.20660	2.1
463.21814	7.4
655.33380	1.5
673.34387	73.2
674.34631	13.6
705.36340	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	705.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.1
63.21984	0.8
68.63786	0.8
71.01259	6.8
71.58411	1.0
71.58772	1.2
73.02824	2.4
81.03336	1.4
83.04906	5.8
85.02831	2.2
87.00759	4.0
89.02336	2.8
93.03294	1.2
95.04900	1.3
96.95883	2.0
99.00740	1.3
101.02325	3.7
109.06474	1.1
113.02298	2.1
118.96397	1.1
119.03384	1.4
119.04938	1.2
125.02358	1.6
125.09631	1.7
134.03670	1.5
135.04399	9.4
149.02319	4.6
161.04501	1.9
163.11230	4.7
164.04666	3.2
165.12758	1.8
169.12218	5.6
171.10173	7.0
177.09125	1.4
189.09149	4.9
191.05521	2.8
193.05034	1.2
197.11797	1.5
199.13327	1.5
201.11211	1.9
207.10213	3.2
209.11769	100.0
210.12096	5.5
211.13306	2.9
223.06081	7.6
225.11203	2.6
226.62743	1.0
227.12859	17.1
231.50468	1.1
235.08191	1.6
253.09259	6.7
259.01303	1.3
269.67358	1.0
307.19092	1.1
325.14407	1.3
409.08099	3.4
445.20859	1.6
463.21768	1.4
471.15131	2.1
513.10223	1.3
661.24811	2.1
687.32245	2.4
736.45410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29615	1.1
55.01771	2.0
57.03335	8.4
58.00464	3.2
59.01253	57.5
60.31188	1.4
61.98701	6.9
69.03319	6.2
71.01256	52.0
71.04902	2.1
72.99184	3.1
73.02821	10.5
77.42777	1.2
79.95625	3.3
80.02534	1.9
80.96394	12.2
81.03334	4.2
83.01253	6.5
83.04893	3.6
85.02833	12.9
87.00745	12.6
89.02321	44.5
93.03322	1.8
94.97943	3.6
95.01257	3.7
95.04871	2.5
96.95891	1.4
97.02827	8.8
97.06461	14.9
98.20653	2.3
99.00735	4.2
101.02330	40.0
102.65958	1.5
109.02841	2.9
109.06471	3.8
111.00760	1.9
111.08038	7.1
113.02331	16.6
115.03910	1.4
119.03403	16.5
121.02865	1.6
123.04375	2.2
123.08035	1.8
125.02338	12.5
125.09615	3.0
127.11165	1.9
128.45622	1.4
129.47156	1.5
134.97380	1.8
135.07979	2.0
136.99078	1.3
137.02332	2.8
137.09547	1.9
141.01817	1.5
143.03400	6.8
149.04448	1.6
149.09663	2.0
151.03830	1.9
151.11206	15.6
152.98515	1.5
153.12712	2.7
155.10692	3.9
157.31485	1.4
161.04453	9.9
163.11195	6.0
164.98541	1.7
165.12758	16.4
167.03424	1.8
167.10681	1.7
169.12244	5.4
171.10144	4.9
177.12877	1.4
179.05551	10.1
179.10661	4.6
181.12270	19.0
183.13846	9.5
185.04414	1.6
191.10666	7.4
191.14368	2.1
193.08427	2.3
193.12230	1.9
197.11699	2.5
199.13274	4.7
205.12288	1.8
207.10181	4.4
209.11786	51.3
210.12094	4.1
211.13348	11.5
221.06609	4.4
225.00723	2.9
225.11240	5.3
225.14819	1.5
227.12851	30.5
228.13159	1.8
229.24930	1.4
235.08246	13.0
239.09122	2.2
245.19063	14.0
247.09476	2.2
253.09232	4.7
263.07687	2.6
263.20163	19.4
264.20428	2.4
279.19583	3.3
287.07581	1.9
289.18127	23.6
290.18530	1.9
297.66083	1.4
307.19168	100.0
308.19254	8.4
341.23450	8.0
363.21002	1.5
397.13480	44.4
398.13864	2.9
415.14539	37.2
416.14996	2.0
593.24091	1.6
607.26080	31.1
608.26514	3.7
622.24542	3.1
645.36664	1.7
673.34650	8.0
705.31561	19.7
706.32196	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	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.1
59.01250	35.4
65.03831	2.7
69.03345	5.4
71.01254	26.7
71.04890	4.8
71.59276	3.1
72.99164	3.4
73.02817	7.9
81.03310	3.2
83.01264	5.5
83.04880	2.6
85.02811	8.5
87.00758	7.2
89.02325	19.1
93.03329	6.8
95.01233	2.0
96.95895	23.6
97.02830	6.0
97.06467	5.1
99.00766	22.7
101.02324	19.4
109.02817	4.0
113.02317	12.0
117.06975	3.0
119.03436	3.9
119.04916	19.7
119.08540	6.8
121.02850	6.0
123.04396	3.0
123.08049	2.8
125.02336	11.1
125.09637	13.7
127.11150	2.6
135.04420	37.9
135.08032	12.6
137.02339	2.8
149.02328	2.9
149.05959	5.9
151.03986	4.2
160.03949	3.2
161.02365	14.2
161.04465	5.3
161.05905	2.3
161.09601	3.6
163.11200	8.7
171.10208	27.9
177.09100	11.6
179.10719	2.3
181.12262	16.2
185.11734	2.4
191.05479	4.1
197.11783	26.0
199.13335	10.3
201.09329	3.2
201.11218	14.2
205.08641	23.9
207.10223	28.8
208.10565	3.5
209.11800	21.1
219.10364	2.7
225.11281	47.8
227.12779	2.9
235.08188	3.1
243.12338	23.8
253.09157	3.4
289.07101	3.0
289.18115	19.6
290.03030	1.9
290.18591	3.9
307.19193	19.4
321.11154	3.5
325.14453	15.0
339.12436	16.0
397.13605	18.1
415.14648	11.0
461.20200	2.7
479.21332	11.7
480.22110	2.4
501.17990	4.9
502.80664	2.0
516.09979	2.2
538.59930	1.9
543.18890	6.1
560.51300	2.0
661.23737	5.4
661.32001	5.9
687.32220	40.1
687.43213	3.6
688.32208	6.3
705.33392	100.0
706.33533	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	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.5
57.03320	5.2
58.00467	4.6
59.01254	59.4
61.98674	2.7
69.03329	5.1
69.38463	1.6
71.01253	58.7
71.16950	3.4
72.99181	4.9
73.02834	8.3
75.00729	1.7
75.77379	1.4
80.02551	3.1
80.96368	4.1
81.03345	6.5
83.01277	8.4
83.04905	6.7
85.02824	12.7
87.00745	10.5
88.98685	2.5
89.02319	45.4
94.97964	2.3
95.01260	3.2
95.04905	3.3
95.73020	1.5
97.02826	12.5
97.06463	7.7
99.00780	8.0
101.02330	36.7
101.81469	1.8
109.06445	3.7
113.02337	18.4
118.98493	1.6
119.03387	13.0
121.02879	1.9
121.06476	2.4
123.04440	4.2
123.08055	4.5
125.02339	12.6
125.09612	13.4
126.60099	1.6
135.08023	2.6
137.02388	1.7
137.09584	2.4
139.03976	1.7
143.03423	5.2
149.04410	1.9
151.03894	2.0
151.11151	2.0
161.04454	7.0
161.09621	2.1
163.11205	17.8
165.12793	7.5
169.12227	1.7
171.10205	3.9
179.05531	8.7
180.01218	1.6
181.12245	9.0
183.13838	36.2
185.11737	9.1
191.05577	2.0
191.10703	3.1
191.14354	11.2
193.12251	2.1
199.13370	8.4
201.11234	2.0
201.67276	1.7
207.10214	22.3
209.11774	85.1
210.12216	4.3
211.13350	29.5
212.13620	1.6
221.06647	4.0
225.11269	27.6
226.11728	1.4
227.12842	12.0
235.08151	11.5
237.11363	9.3
243.12279	4.5
245.19124	22.3
253.09303	8.8
263.07669	2.3
263.20111	6.3
281.21283	3.8
289.18112	88.0
290.18469	6.1
306.25302	1.7
307.19162	100.0
308.19504	6.7
361.11862	1.7
397.13571	38.7
398.13687	2.3
415.14645	41.6
416.14694	3.3
447.21857	1.8
463.21863	2.8
655.33197	3.1
673.34387	61.4
674.34631	8.2
705.35651	13.5
706.32874	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	705.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
57.03319	4.1
58.00468	2.6
59.01253	46.3
65.95592	0.7
69.03330	3.0
71.01255	42.8
71.59243	1.3
72.01599	0.9
72.99187	3.4
73.02822	5.8
75.00771	1.1
80.02548	0.9
81.03323	3.5
83.01263	6.1
83.04893	2.6
84.23914	0.7
85.02834	10.2
87.00755	7.7
89.02319	40.9
93.03320	1.2
95.01261	2.7
95.04883	1.9
97.02824	8.0
97.06472	6.1
99.00761	4.8
101.02325	30.5
107.04922	1.5
109.02856	1.5
109.06444	2.1
111.00774	1.2
111.04408	1.2
113.02337	15.4
119.03396	13.2
119.08485	1.3
121.02874	1.7
121.06470	1.5
123.04395	4.4
123.08043	3.2
123.79427	1.0
125.02344	8.4
125.09593	7.2
128.10176	0.8
131.03439	2.0
132.33250	0.7
133.04958	1.1
135.04417	4.8
135.08035	1.5
137.05954	1.2
137.09619	3.2
139.03891	1.2
141.01891	0.9
141.12772	1.2
142.02625	0.8
143.03400	5.5
149.04498	1.2
149.05984	0.8
149.09624	0.8
151.11174	1.6
154.56479	0.8
161.04465	6.4
161.09621	1.1
163.11209	9.8
165.12750	3.3
167.10645	1.2
171.10156	1.8
173.09691	0.9
177.12822	1.2
179.05524	8.4
179.10675	1.3
181.12280	4.2
183.13745	1.1
185.11755	6.0
191.05571	1.5
191.10698	2.3
191.14334	8.1
199.13351	1.8
207.10191	7.9
209.11768	25.9
210.12137	1.4
211.13345	8.4
217.07176	1.0
217.12416	0.8
217.15993	1.6
221.06638	2.6
225.11287	7.8
227.12854	3.7
235.08156	10.6
237.11319	7.5
243.12334	1.6
245.06757	1.0
245.16663	1.4
245.19101	16.7
253.09213	3.2
263.07700	2.5
263.20209	5.0
271.17041	2.7
281.21164	2.3
287.07559	1.5
289.18100	81.7
290.18311	5.9
305.08865	2.8
307.19159	100.0
308.19485	7.4
325.20093	1.2
339.15659	1.3
351.12405	1.1
361.11014	1.1
379.12167	5.7
397.13474	39.9
398.13715	2.0
415.14557	34.3
416.14987	2.6
418.71384	0.9
607.25739	3.4
673.34467	6.5
705.33588	7.3
706.35065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	6.3
59.01246	2.5
70.02858	7.6
71.01229	1.0
71.12318	1.4
72.00774	2.4
72.04424	1.2
74.02346	41.8
79.42571	0.8
85.02830	0.9
96.95896	9.9
98.02357	7.6
109.02813	1.1
116.03430	12.5
116.04943	13.9
117.05277	0.8
123.04388	0.8
125.02358	2.3
130.06534	1.7
137.02385	0.9
142.06516	3.5
149.04488	0.9
151.03903	1.3
159.09152	3.6
164.19911	0.7
167.03381	1.0
186.05501	1.4
191.05553	1.6
201.10284	3.7
203.08209	43.6
204.08499	1.8
245.09293	100.0
246.09612	6.5
274.46127	0.7
661.25226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.0
59.35838	0.3
63.08832	0.3
69.62327	2.2
71.01268	3.0
73.02821	0.7
83.01275	0.4
85.02824	1.2
87.00732	0.4
89.02309	1.2
93.03323	1.5
96.52299	0.3
96.95903	0.8
98.26290	0.3
101.02337	1.6
108.02040	1.3
113.02338	1.5
119.04919	100.0
120.05257	3.4
121.02847	3.2
123.04365	0.3
125.02360	0.9
135.04375	0.3
137.02385	0.4
143.03455	0.4
149.02377	1.3
150.03131	2.5
155.28532	0.3
161.04512	1.0
161.05920	0.6
162.03154	1.0
164.04654	0.7
171.10184	0.4
175.03917	1.2
176.08348	4.4
179.07045	3.5
189.05460	0.3
191.05531	0.4
194.02293	0.3
197.11780	0.4
198.60066	0.3
201.11192	0.4
203.07066	1.0
204.07860	15.8
205.08614	7.9
206.08963	0.6
208.07262	1.2
209.11780	0.4
213.09053	0.4
216.07889	0.5
217.08658	7.8
218.09352	2.3
219.10219	83.6
220.10535	4.3
223.06102	0.6
231.10204	0.4
233.11777	0.9
245.11784	0.7
281.08163	1.2
286.82404	0.3
307.13480	0.3
323.12863	2.9
324.13446	1.5
338.15292	1.2
339.15997	62.3
340.16364	5.4
349.13110	0.4
365.17700	0.3
391.14093	0.8
483.20233	5.3
484.20364	0.6
501.21323	5.6
502.22034	0.7
543.22333	11.5
544.22534	1.8
645.35016	0.6
663.36249	0.7
687.32239	0.4
705.34369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	8.0
70.41953	4.1
71.01263	4.7
83.04902	1.7
89.02327	3.5
96.95900	1.1
99.00732	1.5
101.02323	2.4
107.04911	3.6
108.02069	3.0
109.02859	2.4
109.06482	1.5
113.02345	1.8
119.04935	1.4
121.02833	1.7
134.03635	5.6
135.04414	100.0
136.04733	3.6
145.02902	1.5
147.04431	7.2
153.43266	1.0
163.11194	2.2
165.12758	1.2
166.02611	1.2
169.12285	1.3
171.10208	2.8
177.09132	9.6
185.11888	1.1
189.09128	28.8
190.09462	1.9
203.10727	12.7
204.11069	1.1
207.10243	1.3
209.11761	43.9
227.12845	7.1
235.08333	1.2
253.09415	2.4
325.14322	6.7
339.10849	2.4
471.14990	18.8
472.15317	2.1
483.15070	4.4
529.21173	1.8
601.22552	1.8
619.24060	2.2
661.24841	27.1
662.24841	5.7
705.35553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40465	1.6
59.01255	18.1
68.60750	1.8
71.01245	8.6
73.02827	1.9
76.06720	1.7
83.01286	2.0
85.02814	2.8
89.02304	6.6
91.05415	9.5
93.03357	8.3
96.95872	2.2
99.00755	8.2
101.02306	4.9
102.57426	1.9
109.02811	5.6
113.02320	6.1
119.04917	50.8
121.02837	15.8
123.04440	4.2
123.11026	1.6
125.02310	4.3
129.01729	2.0
130.56737	1.6
130.57903	1.5
134.03632	3.2
135.04414	100.0
136.04752	2.2
145.27176	1.9
147.04391	7.9
148.05237	1.9
149.04584	3.3
149.05972	15.4
159.14520	1.8
161.02180	1.7
161.04375	1.8
161.05949	2.0
166.02620	2.2
171.10211	2.1
175.07596	3.2
177.08987	4.2
183.04881	2.0
187.07570	12.0
188.07822	2.5
189.09125	23.0
190.09639	2.0
191.05545	4.9
193.18605	1.9
201.09184	4.1
203.05667	2.4
203.10715	15.1
205.08635	32.5
206.08966	2.6
208.88557	1.9
215.10622	4.8
219.10178	5.7
233.06424	1.7
255.10190	2.4
307.13358	2.6
308.67737	1.9
325.14468	8.8
339.15845	2.8
471.14941	11.7
525.20197	8.7
525.26947	2.0
539.21228	4.5
541.19031	13.4
601.22827	2.4
619.23535	3.1
661.24762	22.1
662.25372	8.1
663.36072	2.1
687.31848	2.3
705.34283	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	705.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83941	0.2
57.03326	0.2
59.01251	2.9
65.00188	0.3
70.81181	0.3
70.81519	0.6
71.01260	2.5
72.99191	0.4
73.02806	0.8
82.47811	0.2
83.01297	0.4
85.02827	1.0
87.00753	0.3
89.02315	0.6
89.03843	0.6
91.05411	0.7
93.03345	0.9
96.95895	0.4
99.00766	1.1
101.02328	0.7
113.02329	1.1
117.03343	0.9
119.01268	1.3
119.04900	1.2
120.05133	0.3
121.02850	13.2
125.02362	0.5
132.02058	1.3
133.02875	0.3
134.03508	0.3
135.04428	1.0
137.02338	0.3
143.03310	0.3
147.00757	0.4
147.04417	3.7
148.05208	14.5
149.02347	71.2
150.02673	2.7
152.01056	0.6
161.02382	0.4
162.03162	0.3
163.03961	1.1
163.07562	11.2
164.04701	52.1
165.05045	2.3
169.12183	0.6
171.10078	0.6
175.00298	5.0
179.07045	5.6
190.02641	9.8
191.03081	0.4
191.05516	0.3
191.58647	0.3
193.01367	0.7
205.05013	10.4
205.08714	0.6
206.05264	0.6
208.03755	2.3
209.11803	1.1
211.13435	0.4
215.12660	0.3
221.08142	0.4
223.06067	100.0
224.06407	4.8
225.11188	0.5
227.12837	0.9
253.09393	0.3
325.14224	0.3
327.46304	0.3
337.10699	0.5
338.11111	0.7
439.15961	1.0
457.17136	0.4
466.52036	0.3
471.99905	0.2
499.18259	1.1
541.19128	0.3
638.23102	0.3
661.24506	0.4
687.33008	0.3
705.23376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00950	2.9
59.01250	55.2
69.03316	2.8
70.02832	1.6
71.01255	40.6
72.99192	3.8
73.02827	29.8
77.79936	1.4
81.03281	2.0
83.01263	4.4
85.02833	6.7
87.00764	6.8
89.02320	44.5
93.03338	19.2
96.95900	4.8
97.02790	2.8
99.00759	100.0
100.01061	1.6
101.02325	14.6
107.04886	4.7
109.02814	2.5
113.02332	10.4
117.07021	2.7
119.03481	3.6
119.04916	86.4
120.05252	2.6
120.99471	1.7
123.04382	2.2
125.02333	10.0
125.09599	2.2
131.03412	12.8
135.04393	5.2
135.08073	3.2
143.03380	5.0
149.04460	54.3
153.21889	2.0
155.03397	4.2
161.02367	3.3
161.04456	6.4
164.04774	1.7
171.10179	11.0
175.02335	3.1
179.03391	1.8
179.05428	1.6
187.07561	28.9
188.07938	1.9
190.81500	1.9
191.05548	45.7
197.11806	3.0
201.09155	30.8
201.11070	3.5
202.09547	2.1
203.05537	22.9
205.08646	2.1
207.10185	2.5
209.11775	10.2
225.11333	5.0
227.12848	2.0
233.06630	11.0
253.09422	2.0
287.56812	1.8
289.18027	4.6
307.13422	32.6
307.19098	5.0
308.13452	2.0
335.09875	2.5
353.10696	1.7
371.13248	3.8
397.13339	5.8
415.14664	3.3
498.74393	2.0
541.19238	4.1
661.24536	21.7
662.25275	3.9
687.32098	3.9
705.33746	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	30.6
61.98670	2.5
62.42656	1.7
69.51262	16.0
71.01244	23.7
72.99160	3.2
73.02811	6.6
76.56182	1.8
81.03364	1.9
83.01254	3.8
85.02825	6.4
87.00757	4.8
89.02312	16.8
91.05399	10.2
93.03339	5.3
95.04903	2.3
96.95869	10.6
97.02807	2.4
97.28661	1.7
98.20491	4.0
99.00764	9.3
99.77187	1.8
101.02317	10.2
107.04880	8.1
108.02011	4.1
109.02835	12.6
109.06477	7.1
111.04382	2.4
113.02339	13.3
116.92670	2.2
119.03408	4.9
119.04928	15.5
121.02843	61.7
121.83752	1.9
122.03644	3.2
123.04380	2.7
125.02331	7.4
133.02817	3.4
134.03616	19.8
135.04414	100.0
136.04718	4.6
147.04405	22.2
148.05180	7.4
149.02298	4.8
149.04448	2.3
150.03085	2.3
151.03838	1.9
159.04330	2.0
159.11737	2.2
161.04456	3.9
163.03897	8.0
163.11169	2.7
164.04669	2.9
169.12314	3.9
171.10161	8.9
175.03874	2.3
177.09123	20.3
179.05486	2.5
179.10692	2.0
185.11864	2.2
189.05469	2.9
189.09140	64.3
190.09488	3.3
191.05569	6.6
197.11819	3.6
199.13188	3.2
203.10707	89.7
204.11067	5.8
205.08644	22.9
209.11751	16.8
215.10760	11.3
219.10149	12.2
225.11220	7.1
227.12852	5.5
235.08234	4.2
245.18999	4.7
253.09236	2.7
289.18082	51.1
290.18497	4.6
307.19211	4.8
316.58154	1.9
325.14514	20.5
388.58310	2.2
397.13281	14.0
405.58908	2.0
415.14569	7.6
429.13876	2.7
457.13440	23.2
471.15112	31.0
472.15665	4.1
483.15289	3.8
500.85974	2.4
529.20337	3.7
661.24982	73.3
661.36017	4.2
662.25000	13.8
687.32367	7.3
705.36682	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	702.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47390	1.0
57.63267	1.0
59.01254	14.3
71.01262	9.9
71.57985	1.7
73.02825	8.7
75.90372	1.1
83.01276	2.1
84.01258	1.1
84.96975	1.0
85.02831	1.5
89.02311	2.2
96.95898	2.4
101.02338	4.8
104.54994	1.0
113.02328	1.4
114.04845	0.9
118.06528	2.1
121.05235	10.8
122.05985	6.1
123.06802	3.4
125.02362	1.3
134.06049	2.4
135.04538	1.2
146.06020	13.9
159.33983	1.0
191.05618	1.5
192.06581	2.7
212.10780	2.2
225.10281	3.2
226.07422	2.9
226.12321	3.9
227.08272	15.0
239.08357	1.6
240.09265	1.5
241.09805	19.0
242.10497	3.6
253.09837	7.1
254.10468	1.9
255.11446	9.9
267.11499	5.8
268.12207	13.4
269.12949	13.2
270.13718	3.5
300.11163	16.7
301.11563	2.5
302.12766	3.0
312.50433	1.2
348.13510	1.3
364.16476	1.4
367.99548	1.2
376.16278	1.6
388.06845	1.2
392.19833	14.7
418.17844	3.0
436.18774	28.5
437.19016	4.0
519.20123	2.4
616.25031	7.6
658.26202	100.0
659.26495	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	702.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90041	1.2
56.66244	1.2
57.83805	1.2
59.01246	12.6
65.54394	1.1
71.01247	8.9
73.02805	8.7
83.01289	2.2
85.02829	3.1
88.98690	1.9
95.04922	1.3
96.95904	9.7
101.02345	7.2
113.02345	2.2
118.06500	2.2
118.42767	1.4
121.05209	11.3
122.06045	5.9
123.06824	2.9
125.62796	1.2
135.04462	1.2
146.06020	12.8
147.06567	1.4
168.06606	2.1
189.58020	1.3
212.10754	2.6
225.10179	1.8
226.07510	2.3
226.12457	3.5
227.08246	15.6
240.08943	1.6
241.09801	21.0
242.10669	2.3
253.09872	7.2
255.11351	9.8
267.11319	5.9
268.12128	14.7
269.12952	13.1
300.11133	18.3
301.11642	2.1
302.12781	4.1
306.68692	1.2
313.11835	1.5
314.12646	1.5
342.62448	1.3
364.16769	1.6
376.16666	1.5
392.19839	14.5
393.19922	2.1
418.17648	5.4
436.18738	41.5
437.19025	4.1
616.24689	7.1
658.26147	100.0
659.26520	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	701.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.9
59.01254	22.1
60.09977	1.5
61.98660	1.6
66.73856	1.4
71.01263	16.4
71.58343	2.6
72.90996	1.8
73.02827	5.2
76.02957	1.5
83.01238	1.7
85.02834	5.0
87.00756	4.3
87.04404	2.3
87.08999	1.5
89.02310	15.9
91.05399	1.9
93.03339	3.7
96.95898	8.8
97.02840	3.7
97.06483	2.9
99.04397	2.5
101.02297	9.5
107.04916	1.6
107.19122	1.7
108.02061	3.2
109.02887	1.9
109.06456	11.6
111.04392	4.1
113.02371	5.9
119.03419	5.6
119.04912	1.9
121.02849	1.9
122.03635	7.8
123.04344	2.7
123.08054	5.8
125.02353	7.4
125.05996	2.7
125.09663	1.9
134.03625	2.6
135.04411	3.8
135.08075	10.6
136.05215	5.7
137.02379	5.2
138.06769	4.6
141.09088	1.8
143.89532	1.8
147.04399	1.7
149.05992	5.1
150.03203	1.9
150.06805	13.6
151.03882	2.5
151.07533	10.1
152.01039	2.7
153.01825	2.0
153.09137	21.1
161.04485	2.6
162.06754	1.5
163.07567	7.4
164.08337	3.0
165.05519	2.7
165.09077	3.0
167.03401	2.4
173.08131	2.1
179.05560	2.5
179.10724	5.5
183.13835	4.5
187.09727	9.5
191.05537	5.0
202.40982	1.7
211.13345	47.9
212.13690	3.3
217.10768	53.4
218.11266	2.5
231.12357	6.3
235.08235	2.2
263.46500	1.8
305.09058	1.9
320.20197	1.8
341.19772	2.0
350.13760	1.9
351.21881	2.8
397.13480	30.1
398.14105	2.2
415.14673	10.2
429.35815	1.9
451.31284	2.3
496.29691	1.8
497.31540	6.2
521.22021	4.1
521.31189	3.9
539.32104	2.1
560.20959	1.7
609.27673	5.5
619.16052	1.8
639.24658	4.0
660.55774	1.9
683.36499	4.8
701.37720	100.0
702.37958	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	701.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93453	0.6
58.00442	1.0
59.01250	18.5
59.48939	0.7
71.01257	9.8
71.57700	1.3
72.99200	1.4
73.02811	1.1
75.00755	0.8
83.01268	1.0
85.02844	4.0
85.03291	0.8
89.02316	10.5
95.01289	0.8
96.95905	0.8
99.08041	9.6
101.02324	8.4
108.91344	0.7
111.00694	0.8
113.02336	3.7
119.03388	4.8
127.07558	2.2
129.09119	1.0
132.59117	0.7
135.04454	0.7
138.42943	0.7
141.09108	1.3
145.08612	34.6
146.08929	0.8
149.04552	0.9
171.07236	0.7
191.05618	1.1
221.97668	0.8
307.13992	100.0
308.14291	5.9
427.99985	0.8
626.18884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68528	2.4
52.62934	2.4
53.01749	2.7
59.01254	100.0
89.74458	2.6
104.72752	2.3
111.47988	2.4
119.51178	2.7
121.02818	6.1
122.80646	2.5
140.47554	2.8
153.06599	2.7
171.10158	3.7
201.11224	19.5
202.11632	9.5
209.04504	4.1
240.57216	2.6
241.06775	2.5
241.87964	2.7
253.09308	4.4
255.23297	4.9
279.23206	16.5
280.23611	16.2
324.13889	2.7
438.13422	3.9
481.15164	47.7
482.15601	13.1
495.16693	13.4
497.18484	3.1
514.15454	3.7
540.16272	12.9
554.18524	4.2
555.18909	86.2
556.19196	16.2
572.15442	26.3
573.15619	4.5
586.17151	6.2
641.22607	44.1
642.22949	8.1
701.24817	58.5
702.25159	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82619	0.4
56.67996	0.4
58.11531	0.4
59.01252	100.0
81.11365	0.5
98.19731	0.7
98.52057	0.4
130.07893	0.5
136.43362	0.4
154.29596	0.4
156.66730	0.4
423.10983	0.6
437.12424	1.3
438.13278	3.7
439.13748	0.8
451.14230	0.8
452.14737	2.7
453.15424	0.8
467.13428	0.6
480.14059	1.1
481.15182	29.7
482.15515	5.0
495.16736	11.8
496.16962	2.4
497.18396	5.7
498.19025	0.7
514.14679	2.5
515.15283	0.6
523.16132	0.9
525.14624	0.9
539.15668	1.9
540.16412	7.6
541.16644	0.9
553.17230	0.6
554.18030	1.6
555.18890	54.3
556.19061	10.1
567.19012	0.8
568.18634	0.5
569.20563	0.5
572.15527	14.7
573.16125	2.4
586.17053	5.9
587.17310	1.3
609.19830	1.3
627.20978	1.4
641.22552	22.5
642.22888	4.6
701.24677	47.3
702.24921	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	701.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96867	2.1
59.01262	11.6
65.18052	2.6
66.95341	2.4
71.01256	7.5
71.58822	4.0
73.02773	5.6
83.81536	2.4
84.78963	1.8
85.02802	6.1
88.98540	1.8
89.02304	2.4
91.16178	1.9
93.03333	5.1
94.29150	2.2
96.95917	5.1
99.00751	2.8
101.02299	2.4
102.69638	2.1
103.60038	2.1
106.06503	3.2
107.04918	3.4
108.02083	3.1
109.02825	5.3
112.02127	2.1
113.02287	2.5
119.03395	2.2
119.05018	2.9
121.02827	2.5
122.03633	3.1
122.06021	3.5
123.04429	16.5
124.01562	3.5
124.07558	2.6
125.02299	3.7
132.04443	15.1
133.05208	3.4
134.05997	4.1
135.04398	4.3
137.02345	34.2
149.02367	10.7
150.03110	2.7
150.05487	15.6
151.03926	37.3
152.01170	2.8
152.04726	27.8
160.07584	3.2
164.04642	2.4
165.04184	9.4
165.05415	2.6
167.03291	2.2
167.07082	5.1
176.07108	3.7
177.01907	3.1
178.02626	5.6
186.09195	15.9
187.08730	9.3
191.05450	3.6
193.04988	6.2
195.02985	4.7
196.03719	67.9
197.04247	2.5
198.09273	6.0
201.05608	5.1
205.04971	4.0
209.03317	2.8
211.06059	23.0
211.13448	3.3
213.06625	6.0
215.11761	2.6
223.06100	9.0
226.07457	10.6
227.08148	4.5
229.09799	37.3
230.10187	3.7
235.33981	2.5
240.10179	8.9
241.09828	44.8
242.10243	2.7
254.06979	3.3
255.11359	8.9
257.12936	12.0
265.09775	4.0
268.08575	3.1
273.08755	2.8
283.10898	100.0
284.11157	7.3
301.11917	8.5
326.10983	2.5
327.09879	12.4
333.16907	2.7
358.08948	4.1
373.11502	31.7
387.10617	2.4
445.16107	3.2
489.15298	4.6
639.23401	5.2
657.23022	49.4
658.23083	7.6
683.20306	13.1
701.21674	65.4
702.21631	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	700.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	2.4
57.97436	71.2
59.00947	4.8
59.01252	100.0
62.28574	2.4
71.01260	28.8
73.02816	21.4
83.01289	5.2
83.06026	12.8
85.02831	14.4
87.00744	2.7
89.02322	17.7
95.01334	2.2
96.95895	3.9
99.00752	25.2
101.02322	20.2
106.06536	2.1
113.02313	16.3
117.81805	2.0
120.50572	2.0
125.02347	9.3
131.03380	4.0
134.03619	7.0
135.04443	4.2
155.11803	5.0
160.01547	5.9
161.01753	8.6
161.04468	8.1
170.03865	30.6
175.03960	4.6
179.03419	4.8
189.10301	4.0
191.05498	4.4
193.05009	3.6
204.02371	11.3
205.03065	6.1
247.07837	47.7
248.08116	3.0
296.93872	2.4
298.06931	2.6
317.17285	12.0
359.18274	21.4
360.18472	2.3
424.12823	6.2
425.13235	2.3
449.21518	11.5
450.16089	4.3
466.13809	22.9
467.14194	3.2
491.22467	45.0
492.23154	2.6
524.20758	3.2
537.21167	8.9
538.21643	23.4
571.19354	5.5
614.23938	18.4
615.24097	4.8
656.24945	42.2
657.25342	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	699.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54350	0.8
57.03316	1.7
59.01247	5.5
66.36927	0.8
69.57603	6.9
71.01259	3.8
73.02822	1.0
83.01249	1.0
85.02834	1.8
87.00770	1.1
89.02327	3.9
97.06509	2.4
98.19790	1.4
101.02330	2.4
111.08064	6.2
112.50497	0.8
113.02333	2.3
123.08022	1.9
123.12944	0.8
123.58582	0.9
125.09612	18.0
127.11207	1.2
148.93654	0.8
151.11089	0.8
161.04520	2.2
169.12285	1.6
171.10187	100.0
171.20621	0.9
172.10544	3.9
187.09671	9.9
197.11766	27.4
199.13348	2.6
209.11667	1.0
211.13327	4.3
220.38918	0.9
227.12828	1.3
235.08157	4.0
253.09239	12.1
263.20139	2.0
270.97955	0.9
280.38922	0.9
287.05579	1.2
291.19656	12.3
293.21182	2.1
309.20688	30.2
310.20956	1.5
423.18640	3.7
685.52185	1.0
699.39673	15.1
700.40302	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	699.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
57.03325	0.3
58.00457	0.3
59.01251	3.3
61.98679	0.4
66.67642	0.2
69.03321	0.7
71.01261	2.8
73.02808	0.6
74.82632	0.2
81.73040	0.2
83.01265	0.6
83.04903	0.4
85.02824	0.7
87.00764	0.6
89.02315	2.3
97.02832	1.1
97.06478	0.4
98.20586	0.6
99.00709	0.3
101.02325	2.4
111.08040	3.6
113.02363	1.6
119.03416	0.7
119.04910	0.3
123.08075	0.3
125.02362	0.5
125.09603	1.8
127.07545	0.3
127.11187	1.7
137.11852	0.2
151.11272	0.3
153.09097	0.6
153.12723	0.4
161.04480	1.8
165.12766	1.1
169.12248	1.3
171.10185	100.0
172.10550	3.7
179.05597	0.4
181.12282	0.7
183.13866	0.3
187.09639	0.4
193.12212	0.3
193.15836	0.3
197.11772	16.7
198.12112	0.9
199.13348	0.9
209.11794	0.8
211.13295	2.4
223.13196	0.3
227.12906	1.3
235.08221	3.7
247.20613	0.8
253.09264	10.0
254.09651	0.5
256.78729	0.3
263.20169	0.8
265.18066	0.4
273.18604	0.6
291.19662	15.1
292.19977	1.3
309.20703	29.8
310.21106	2.1
324.60272	0.3
407.19254	0.9
463.30911	0.3
527.28613	0.5
545.29572	0.6
699.39569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65291	0.7
57.67249	0.6
59.01252	7.2
61.54535	0.7
61.98673	1.4
71.01252	3.0
71.58605	1.0
71.59044	0.8
73.02825	0.9
75.52856	0.6
83.01279	0.7
85.02793	1.6
89.02311	2.0
93.03309	1.2
96.95891	3.6
97.02818	0.8
99.00743	1.3
101.02336	1.2
107.04911	0.8
108.02038	1.1
109.02888	2.0
113.02355	1.4
117.03345	2.2
119.04908	2.6
121.02845	2.9
122.03644	1.0
123.04385	1.4
125.02337	1.9
132.02089	6.0
133.02870	6.4
134.03633	28.5
135.04419	14.6
136.01552	1.0
137.02370	5.5
139.03891	1.8
146.03532	0.7
147.04395	2.0
148.05147	1.6
149.02274	1.0
149.05962	3.0
151.03848	1.5
160.01578	28.5
161.01302	0.8
161.02376	10.5
161.05960	1.6
162.02937	0.8
165.05525	0.7
175.03937	25.2
177.01868	1.1
178.02695	3.9
179.03416	12.0
193.05013	14.3
193.06764	1.1
207.06526	2.2
235.24167	0.7
249.07718	2.4
329.13916	0.9
495.33005	0.8
537.21295	100.0
538.21594	14.0
699.26624	6.3
700.27466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65291	0.7
57.67249	0.6
59.01252	7.2
61.54535	0.7
61.98673	1.4
71.01252	3.0
71.58605	1.0
71.59044	0.8
73.02825	0.9
75.52856	0.6
83.01279	0.7
85.02793	1.6
89.02311	2.0
93.03309	1.2
96.95891	3.6
97.02818	0.8
99.00743	1.3
101.02336	1.2
107.04911	0.8
108.02038	1.1
109.02888	2.0
113.02355	1.4
117.03345	2.2
119.04908	2.6
121.02845	2.9
122.03644	1.0
123.04385	1.4
125.02337	1.9
132.02089	6.0
133.02870	6.4
134.03633	28.5
135.04419	14.6
136.01552	1.0
137.02370	5.5
139.03891	1.8
146.03532	0.7
147.04395	2.0
148.05147	1.6
149.02274	1.0
149.05962	3.0
151.03848	1.5
160.01578	28.5
161.01302	0.8
161.02376	10.5
161.05960	1.6
162.02937	0.8
165.05525	0.7
175.03937	25.2
177.01868	1.1
178.02695	3.9
179.03416	12.0
193.05013	14.3
193.06764	1.1
207.06526	2.2
235.24167	0.7
249.07718	2.4
329.13916	0.9
495.33005	0.8
537.21295	100.0
538.21594	14.0
699.26624	6.3
700.27466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94833	1.2
53.63275	1.1
55.91565	0.9
59.01252	7.5
64.71705	1.1
70.31451	2.0
70.31870	2.9
71.01247	5.4
75.00722	1.3
85.02835	1.9
86.91054	0.9
87.00759	1.3
88.98680	1.6
89.02321	2.9
89.80355	0.9
93.03323	1.2
95.04865	1.3
96.95885	2.7
97.98624	1.4
101.02299	2.6
103.05428	1.2
108.02068	2.0
109.02838	54.7
109.03599	2.8
110.03178	1.6
113.02322	1.8
119.04939	2.3
121.02831	1.3
123.04413	12.9
125.02320	2.5
131.03395	1.1
133.02849	4.0
135.04434	1.8
137.02327	1.5
141.12299	1.2
147.04449	2.5
149.02472	1.5
151.03879	5.7
161.02373	8.1
177.01851	22.8
178.02214	1.3
187.03914	1.4
189.01857	50.4
190.02629	10.1
191.03404	8.7
191.05244	1.5
203.03435	7.6
216.00609	6.6
217.01372	39.1
218.01968	4.1
219.02931	16.4
231.02960	12.8
232.03688	1.7
233.04419	1.5
239.07976	1.3
239.70021	1.1
281.04599	2.9
289.07214	1.8
312.08124	1.0
323.05481	1.7
341.06644	100.0
342.07019	10.0
433.14651	1.4
451.10324	73.3
452.10742	10.0
545.12921	2.0
546.13538	1.2
613.15948	1.7
655.16608	12.0
656.16974	2.2
699.37659	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	697.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61065	1.2
54.93665	1.0
57.03314	1.9
59.01247	17.4
71.01253	14.9
71.58842	1.4
72.99171	2.3
73.02821	4.3
75.00752	1.5
78.95770	1.4
83.01257	2.0
83.04881	1.2
85.02830	7.5
89.02309	5.1
93.03328	2.2
95.01276	2.1
96.95898	3.1
99.00758	3.5
101.02298	7.1
102.45691	1.1
108.02051	53.6
109.02872	12.3
113.02323	5.5
119.03436	1.3
119.04869	2.1
121.02832	1.8
123.00760	1.5
123.04419	3.3
125.02328	3.3
134.03635	2.7
135.04401	3.7
137.02313	2.1
144.74394	1.3
149.02316	2.2
149.05988	1.6
150.02681	1.9
151.03923	3.0
152.01057	100.0
153.01808	7.0
161.04494	3.7
163.03943	7.5
164.04637	2.5
165.05505	1.4
177.01918	2.5
179.03485	2.4
191.05504	4.3
193.04939	2.9
205.04955	1.9
205.16093	1.3
251.05446	1.7
267.77820	1.5
315.07202	1.8
355.60693	1.3
373.26019	2.1
429.10358	7.2
447.11438	36.1
448.11755	2.3
535.31311	5.2
653.23895	1.5
697.23486	61.5
697.35516	3.5
698.23846	13.4
707.31964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02173	5.8
51.99366	5.8
54.04722	5.8
57.03317	6.5
58.71397	7.4
59.01248	94.4
61.98697	27.2
65.03822	7.9
71.01254	42.4
73.02825	8.1
85.02843	13.5
87.00740	9.0
89.02290	15.9
91.05383	8.9
93.03333	10.6
96.95889	21.8
97.06506	7.6
98.19737	14.0
101.02303	22.9
102.05527	7.4
102.89999	6.4
109.02843	35.7
113.02311	17.2
116.92742	10.5
119.04919	33.1
121.02812	16.2
125.02339	13.4
125.09622	21.7
135.04410	41.7
136.04718	8.7
161.04376	8.0
162.06740	11.4
163.07507	14.0
171.10211	35.2
177.09026	12.7
185.11670	20.6
205.12259	26.3
209.11752	18.0
211.13347	8.3
215.10759	10.8
220.62354	8.3
231.13783	16.6
233.11674	16.6
249.14882	19.4
280.91034	6.7
289.17972	6.6
325.14401	15.4
371.14850	10.7
383.22369	34.7
401.23282	35.1
419.24231	12.0
454.87686	7.2
472.21146	7.1
561.25415	7.7
587.26404	9.5
593.29279	29.9
594.29749	9.0
619.31329	75.3
620.31458	9.7
637.32062	100.0
638.32593	22.0
697.29205	20.4
697.41718	7.9
716.12274	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	697.2292
Annotation	Dadahol A
Peak:m/z	Relative Intensity
51.13106	0.3
52.98275	0.4
57.11465	0.3
59.01253	6.0
69.75283	1.4
69.75697	0.7
71.01258	0.6
74.92410	0.3
79.73489	0.3
83.80315	0.3
85.02853	0.4
91.05397	0.6
93.03345	1.2
96.95901	0.6
98.20490	0.7
101.02319	0.5
109.02797	0.5
113.02303	0.4
116.92738	2.1
117.03358	13.1
119.04922	100.0
120.05239	3.9
121.02863	3.5
123.04417	1.2
128.59834	0.3
132.05711	0.5
133.02893	0.6
133.06435	0.4
134.03647	0.8
135.04405	1.5
138.30035	0.3
145.02861	45.7
146.03185	2.0
149.02402	0.4
149.05957	0.5
150.03172	0.6
151.03915	0.5
154.58148	0.3
161.06001	0.8
162.03136	4.3
163.03925	68.5
164.04279	2.5
171.10219	3.6
175.03949	0.4
177.05504	1.5
179.03497	0.4
193.05101	0.5
194.05682	0.5
209.11884	0.6
231.14091	0.5
289.17953	2.0
297.11307	0.4
307.18948	0.4
341.10028	0.8
401.23389	0.7
514.88568	0.3
533.17981	0.4
551.19226	4.9
552.19379	0.8
619.31085	1.0
637.31976	1.2
697.22906	8.8
698.23169	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	697.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25114	11.6
68.28561	12.7
70.23287	11.3
70.27023	13.1
71.56499	12.6
71.56915	22.6
78.42863	14.0
85.02837	100.0
152.13615	13.3
191.01859	29.2
191.05522	41.4
209.02971	34.3
310.66339	13.6
353.26575	11.8
355.06549	21.4
359.97769	13.0
374.93683	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	697.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98755	0.3
59.01252	100.0
60.01576	0.9
69.69908	2.3
71.01263	0.3
71.27055	0.3
83.75404	0.3
91.05408	0.4
109.02896	0.5
116.92745	0.5
117.02691	0.4
117.03319	1.7
119.04922	12.1
120.05252	0.4
121.02847	3.1
132.02121	0.3
133.02870	0.5
134.03639	7.0
135.04424	1.1
137.02454	0.4
145.02858	3.8
147.04439	0.3
149.05988	1.3
151.04007	0.4
160.01619	1.4
162.03273	0.6
163.03934	7.9
165.01884	0.5
171.10182	2.6
175.03917	3.5
177.05522	0.5
177.09142	0.3
178.02693	1.9
179.03392	0.4
191.03497	0.5
193.05006	4.7
209.04524	1.7
289.18063	0.7
307.19278	0.7
347.78256	0.3
521.18506	1.0
551.19250	0.6
593.13306	1.0
643.20288	0.3
697.22382	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	695.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01577	1.1
69.59576	3.0
78.95779	13.8
80.96392	1.2
90.42187	0.4
94.97968	0.5
98.19787	0.6
149.00027	0.6
158.32642	0.4
169.12852	0.3
205.15887	1.4
211.56796	0.4
225.00656	0.4
334.52615	0.4
472.22406	0.4
691.98376	0.5
695.31049	41.2
696.31342	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	695.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34731	0.9
55.82254	0.7
57.03311	1.1
58.00459	1.7
59.01250	6.7
61.98709	1.1
70.18710	3.2
71.01251	6.6
73.02824	5.6
83.04885	1.3
84.02049	1.0
85.02822	1.7
87.00758	1.5
89.02329	5.1
93.18916	1.1
95.59755	1.0
97.02879	0.8
97.06525	1.0
101.02333	4.2
113.02332	2.4
119.03429	1.9
125.05974	3.6
125.09618	3.7
127.11176	3.2
137.09612	3.6
151.07535	2.6
151.38080	0.9
153.09116	1.5
155.10661	4.9
161.04526	1.8
163.07538	1.4
171.10181	21.5
175.27980	0.8
179.05533	2.3
181.08644	8.7
184.06406	1.1
191.05508	1.9
199.09692	100.0
200.10031	4.7
201.11305	2.5
217.10725	1.5
235.08197	2.8
253.09230	10.8
277.21729	56.6
278.22076	5.9
313.77954	0.8
415.32013	2.6
417.17816	4.4
435.18729	20.6
436.18887	2.2
441.30096	4.6
442.30743	0.9
458.25357	0.9
567.36859	1.0
618.25732	0.9
695.39929	6.1
696.40631	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	695.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.6
60.95576	0.4
69.03333	0.5
69.52503	1.1
69.52932	2.8
71.01276	0.6
81.03333	2.7
83.01250	2.8
85.02816	0.7
86.32899	0.6
89.02313	0.7
93.03329	1.2
95.04910	2.2
95.14666	0.4
96.95910	0.8
97.02828	6.3
108.02055	1.0
109.02840	20.5
109.03602	1.0
110.03153	0.8
121.02843	2.8
122.03609	0.9
123.04414	13.7
124.01563	0.5
124.04728	0.5
125.02341	13.2
135.04422	1.7
137.02348	9.3
138.03114	0.5
139.03920	3.6
146.03632	1.0
147.04364	0.7
149.02367	3.5
150.03145	3.0
151.03932	6.6
157.06444	0.5
159.04390	2.2
160.05254	0.8
161.02412	0.7
161.05971	3.3
162.03140	1.4
163.03838	0.8
164.01067	2.8
165.01866	4.1
167.03398	1.8
173.05966	1.1
175.03900	1.3
175.07587	1.8
179.03423	5.2
185.43256	0.5
187.03899	3.7
188.04698	3.0
191.05640	0.6
202.06343	1.6
202.59862	0.5
203.07082	11.1
205.04980	6.7
206.05475	0.6
221.08081	3.2
227.07143	1.7
230.05853	0.5
245.08199	15.9
246.08562	1.3
247.05998	0.6
271.06171	0.7
285.03989	0.6
289.07190	100.0
290.07541	7.6
309.04074	0.7
326.63132	0.5
327.05042	1.2
588.74701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	4.6
59.01253	100.0
59.88932	4.5
59.89309	3.9
65.03832	5.1
71.01258	62.6
71.58297	9.7
71.80896	4.5
72.99187	9.0
73.02823	16.4
75.00769	4.5
76.57874	5.3
83.01273	7.3
85.02830	22.4
86.02342	6.1
87.00742	6.5
89.01849	5.5
89.02318	33.2
91.05422	8.4
93.03347	13.6
95.01298	5.6
96.95898	33.1
99.00742	18.6
101.02328	28.0
107.04843	6.3
109.02846	64.3
113.02345	25.6
119.03389	12.4
119.04922	11.3
121.02847	38.1
123.04340	7.8
125.02402	7.9
129.01855	4.8
132.02165	4.3
132.36746	4.4
134.03622	24.6
135.04433	82.6
136.01582	9.4
137.02304	10.4
147.04425	6.3
149.02425	12.5
149.04636	10.1
149.05975	87.1
150.03120	19.2
151.03841	25.8
152.04289	6.9
153.01999	5.0
160.01602	11.0
160.03973	4.7
161.04530	7.9
163.03940	9.4
165.05495	14.2
173.09656	7.3
175.03880	23.5
179.03397	7.7
179.05635	5.5
181.04877	5.5
189.05534	5.9
190.06299	6.0
191.05574	19.7
191.10716	9.2
193.05043	29.9
195.06488	7.0
203.07098	7.3
205.08737	6.2
215.07039	5.8
216.07950	30.7
217.08577	20.0
223.06081	6.6
231.10287	15.3
243.10112	6.6
279.13812	9.8
297.15045	20.1
321.11414	8.9
329.14087	6.0
353.13995	77.7
354.14368	9.7
359.14362	7.3
443.15411	15.3
485.16647	55.3
486.17014	5.9
491.19302	5.6
499.18417	35.8
515.19299	24.9
533.20233	60.1
534.20380	13.2
633.25555	7.0
653.23676	6.1
695.25201	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	695.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78325	0.3
57.03302	0.4
59.01255	1.7
67.01769	0.5
71.01255	1.0
71.26090	0.6
73.08121	0.4
76.75090	0.4
85.02826	7.3
87.00774	1.9
93.03332	3.5
96.95905	0.5
99.04330	0.4
99.12384	0.3
109.02830	0.7
111.00716	0.3
111.04382	1.0
123.34367	0.3
127.03887	1.7
133.02826	0.7
135.04413	2.5
137.02449	0.4
148.65578	0.3
161.02344	1.6
173.04417	2.0
179.03473	1.6
191.05540	100.0
192.05891	3.1
237.89131	0.3
282.76364	0.4
288.54449	0.5
353.08578	11.8
353.14856	0.7
354.09055	1.4
401.33875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06472	1.0
54.00340	0.9
57.54592	0.9
59.01234	9.2
63.76531	1.0
66.21365	1.0
68.51243	1.0
68.72151	0.9
70.08291	5.3
71.01250	6.1
73.02805	2.0
74.14009	0.9
75.45182	1.2
77.63515	1.0
83.01269	1.5
85.02795	1.4
87.00748	1.1
89.02318	3.9
95.01199	1.2
96.95877	2.2
98.19780	1.2
99.08057	4.7
101.02322	4.1
101.91401	0.9
109.02824	2.0
109.69872	1.0
113.02327	1.7
119.03369	2.2
121.02887	1.7
125.02410	1.7
127.07499	1.3
131.01289	2.5
133.02847	25.3
135.04407	3.3
137.02322	1.1
145.08592	16.1
147.04422	1.6
149.02303	1.7
160.04007	1.3
161.02379	2.3
163.00192	2.5
163.03879	3.2
165.01888	1.4
173.02318	4.5
175.00253	10.3
175.03903	2.0
177.01901	1.5
179.03387	1.1
191.03467	1.4
191.05568	1.8
193.01350	1.5
195.06621	1.0
199.03929	2.2
201.01906	1.4
213.05478	1.3
225.05493	1.4
237.05460	1.0
240.03946	1.3
241.04947	1.6
253.05003	2.0
265.04987	3.9
267.02979	5.5
269.04227	1.3
281.04538	1.9
284.03268	9.8
285.04047	8.5
297.04031	16.3
298.04749	10.9
299.05566	14.9
307.13947	36.8
309.04034	100.0
310.04419	8.8
311.05746	2.1
327.05081	91.2
328.05417	6.6
339.04996	4.5
353.06897	1.2
357.06125	45.1
358.06305	3.0
369.06146	3.5
371.14822	1.1
375.03458	1.1
393.06073	1.7
411.07086	1.3
429.08228	35.4
430.08521	3.9
436.52069	1.2
447.09296	1.5
449.10623	2.2
459.47290	1.1
489.10410	1.8
531.11383	32.3
532.11688	3.9
533.20422	2.2
609.14575	2.4
651.15631	39.3
652.15918	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	693.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86679	0.7
57.03333	1.0
58.00460	0.8
59.01254	21.2
61.84014	0.8
69.94199	3.4
71.01251	13.9
73.02806	2.6
83.01247	1.8
85.02826	3.4
87.00739	2.9
89.02316	14.7
93.03314	0.8
95.01267	1.0
96.95879	1.0
97.02818	1.9
101.02320	9.7
102.88593	0.8
107.37359	0.7
113.02327	5.5
113.09592	1.7
119.03407	4.1
119.04873	0.6
125.02351	4.2
133.02869	0.7
143.03395	1.9
148.16342	0.6
161.04434	2.4
161.69127	0.8
171.10179	14.1
179.04097	0.6
179.05478	3.9
183.13741	0.7
191.05536	1.5
192.02432	0.6
195.13828	10.5
196.14261	0.7
207.10277	0.8
211.13359	9.8
235.08192	4.2
253.09251	1.9
277.21710	17.8
278.22052	0.8
283.06134	2.0
287.07718	0.7
295.06024	3.0
295.22778	100.0
296.23108	10.9
305.08725	1.0
337.10818	16.8
338.11371	4.5
339.12161	1.5
353.10062	1.5
397.13483	26.5
397.18625	1.4
398.13962	2.6
415.14594	22.8
416.14841	2.0
471.14441	0.8
505.96368	0.8
624.19397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48355	0.7
59.01233	0.8
71.58624	1.3
77.91297	0.8
85.02834	1.7
96.95908	1.4
100.73318	0.8
115.67126	0.9
121.32325	1.0
125.02358	1.1
149.57762	0.8
169.98715	0.8
173.03432	2.8
181.07689	1.0
183.05518	6.8
191.05574	1.9
215.04573	24.4
216.04852	1.1
233.30988	0.8
243.07813	2.3
249.90532	0.8
287.06741	100.0
288.07040	8.1
468.66058	0.9
583.36218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00221	0.1
54.69358	0.1
55.01746	0.4
55.02007	0.1
57.03321	0.9
58.00474	0.6
59.01252	13.8
60.01605	0.2
61.98697	1.5
65.77844	0.1
68.99693	0.3
69.03321	0.9
69.64050	0.9
70.54281	0.1
71.01252	11.9
72.99178	1.0
73.02820	2.0
75.00744	0.3
79.66881	0.1
81.03316	0.4
83.01257	1.4
83.04883	0.2
85.02826	2.6
85.99976	0.1
87.00745	2.3
89.02315	10.0
91.03885	0.3
91.94266	0.1
93.03321	0.3
95.01275	0.9
96.95886	0.5
97.02826	1.5
97.06435	0.3
98.20515	0.3
99.00754	0.6
99.08042	0.2
101.02318	8.9
101.30708	0.1
102.02682	0.1
105.45928	0.1
109.02853	0.3
109.06480	0.2
111.00755	0.3
111.04394	0.2
113.02332	4.3
113.09606	1.5
115.03864	0.2
119.02570	0.2
119.03379	2.9
119.04802	0.2
121.02861	0.2
122.38938	0.1
123.00739	0.2
123.04385	0.2
124.01596	0.2
125.02334	2.8
125.09605	0.1
127.03876	0.2
129.01813	0.1
131.03386	0.6
133.04938	0.3
135.04399	0.3
137.02312	0.1
139.03883	0.3
139.13690	0.1
143.03410	1.3
149.04411	0.3
157.04901	0.1
157.08589	0.3
161.04468	1.7
163.07483	0.2
163.11067	0.2
167.03354	0.1
169.89429	0.1
171.10201	1.4
177.12790	0.3
179.05534	2.1
179.14346	0.8
181.12263	0.5
185.04408	0.1
191.05542	0.5
195.13832	14.0
196.14149	0.8
207.10201	0.2
209.11739	0.2
211.13338	1.8
214.08658	0.1
221.06577	0.6
235.08173	2.9
245.06554	0.2
251.23756	0.3
253.09265	1.0
254.09979	0.1
259.20456	0.2
259.26691	0.1
263.07687	0.5
271.06134	0.2
277.09366	0.3
277.21716	12.0
278.19138	0.1
278.21936	1.0
287.07620	0.7
293.21115	0.3
295.22763	100.0
296.23096	8.8
305.08893	0.8
310.04590	0.1
319.22672	0.2
323.09869	0.4
325.20547	0.1
339.12149	0.1
369.27295	0.1
379.12491	0.2
395.24997	0.1
397.13489	17.9
397.96930	0.1
398.13730	1.0
415.14551	19.2
416.14902	1.3
421.16409	0.2
555.00342	0.1
576.72168	0.1
693.23254	0.2
693.36536	0.3
694.34851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32284	2.6
75.40298	2.3
92.33590	2.8
98.19794	8.6
101.16439	2.7
127.74274	2.8
145.59074	2.6
147.65208	2.9
277.21744	48.1
278.22086	3.3
279.23285	4.7
384.77957	2.7
413.30624	100.0
414.30920	10.0
530.05865	3.1
568.16290	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	693.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.9
60.01604	0.4
69.03333	0.7
71.01254	7.6
71.59104	0.7
72.99174	0.9
73.02817	4.8
82.02877	0.5
83.01272	0.9
85.02822	3.0
86.02296	0.4
87.00757	0.7
87.34020	0.4
89.02319	2.3
93.03351	1.6
95.01258	0.7
96.95899	2.8
97.02829	0.9
99.00757	8.1
101.02338	3.8
108.02054	1.9
109.02843	1.6
113.02330	7.2
117.56964	0.4
119.04938	1.9
121.02853	3.1
122.03626	2.0
123.00775	0.9
123.04421	0.7
125.02365	1.9
131.03372	1.0
134.03664	1.4
135.04404	1.2
136.01564	69.5
137.02266	2.7
143.03407	0.5
145.02818	0.5
147.04466	0.4
149.02318	1.0
149.03445	0.8
149.04649	0.5
149.05959	1.3
150.03122	0.9
151.03918	100.0
152.04262	3.2
159.04404	1.4
160.04019	0.4
160.05231	1.4
161.02350	1.1
161.04486	0.9
161.05891	0.7
162.03181	1.1
163.03894	2.0
165.01936	0.4
165.05486	1.1
167.03247	0.5
167.04523	0.4
175.03940	1.6
175.07512	2.2
176.04723	1.9
177.05525	2.1
178.02669	0.4
179.03441	0.7
187.03954	0.6
189.05533	0.6
190.06241	0.5
191.05539	3.1
191.07092	2.3
193.05035	0.5
195.06578	1.0
203.05405	0.5
203.07088	1.0
210.12514	0.7
211.03574	1.5
219.06429	0.5
241.05078	1.6
256.07312	0.8
271.09799	1.4
275.07510	0.5
279.06802	0.8
283.05655	0.4
294.09097	0.6
312.09970	1.2
313.10565	0.7
324.09927	0.8
327.12366	6.3
328.12872	0.5
339.12344	5.7
342.11093	5.5
343.11871	2.6
355.11795	0.6
357.13431	74.6
358.13763	6.4
403.57578	0.4
419.15057	0.5
421.69446	0.4
469.14877	0.5
561.19330	0.6
615.21283	0.8
621.22516	0.5
630.22308	0.5
633.21820	3.5
634.22351	0.6
651.22980	12.5
652.23383	1.8
663.23407	0.9
675.22198	1.1
675.31256	0.7
693.23938	19.4
694.24384	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21367	0.3
55.01757	0.5
56.50264	0.3
57.03325	1.0
58.00459	0.9
59.01254	16.6
69.03331	0.9
69.71508	2.7
71.01254	14.2
72.99171	0.5
73.02812	2.4
77.31966	0.4
78.10535	0.4
81.03309	0.4
83.01255	1.5
85.02827	3.6
87.00756	2.7
89.02320	10.6
94.68660	0.4
95.01254	1.1
97.02838	1.9
101.02325	11.3
109.02816	0.5
111.04412	0.5
111.08064	0.4
113.02335	5.1
119.03363	3.0
125.01611	0.3
125.02356	3.0
131.03453	0.4
143.03386	1.8
154.28459	0.4
161.04498	2.2
166.30428	0.5
179.05536	3.0
179.14206	0.5
183.10097	0.5
191.05539	1.1
195.13829	7.3
196.14403	1.0
205.12347	0.7
205.15793	0.4
211.13335	0.8
221.06548	0.9
223.13376	5.9
224.13895	0.6
225.14882	0.4
228.13564	0.8
235.08183	2.6
253.09239	1.5
256.13150	0.5
263.07877	0.4
265.21484	0.4
275.20117	3.6
293.21231	100.0
294.21561	9.1
305.08798	0.6
323.09665	0.6
361.11371	0.5
397.13480	21.1
398.13782	1.9
415.14536	22.7
416.14624	1.9
560.49420	0.5
593.78613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57277	0.5
55.01754	1.0
57.03318	0.6
58.00463	0.6
59.01247	5.6
61.98701	0.9
71.01247	6.0
71.39236	1.1
73.02817	1.8
75.79703	0.5
80.02539	0.9
81.03329	1.2
83.01234	0.8
83.04895	2.7
84.02000	0.6
85.02827	1.8
86.69867	0.6
89.02309	2.1
91.05408	1.5
93.03346	0.8
95.04941	0.7
96.95877	2.1
99.00734	1.2
101.02325	2.7
109.02824	4.0
109.06461	0.8
113.02310	1.8
119.03423	0.8
119.04940	0.9
121.02847	4.6
125.02336	0.6
125.06063	0.7
125.09650	0.9
127.11201	1.1
132.04468	1.0
135.04413	10.2
135.08035	0.8
137.02312	0.6
141.27298	0.6
143.03404	0.7
147.04414	2.2
147.11816	0.6
149.05962	1.9
151.03935	0.8
158.70575	0.5
161.02356	0.7
161.04448	1.5
162.03065	0.7
163.11200	3.3
165.12776	1.5
171.10196	2.6
172.10500	0.6
181.12193	0.7
185.11812	0.6
191.05524	1.2
191.10754	1.0
195.06474	0.6
201.11256	22.3
202.11612	1.6
203.11922	0.7
205.08636	1.1
209.11769	100.0
210.12105	7.2
217.08656	4.6
218.09103	1.1
219.10155	2.2
227.12840	14.6
228.13124	0.7
229.08597	0.7
229.14398	1.0
232.11003	1.1
235.08165	2.3
245.11790	0.7
251.13115	0.6
253.09277	9.6
254.09651	0.6
289.06976	0.8
339.11951	0.7
353.18991	1.3
354.14841	1.2
354.19144	1.4
355.19312	1.1
375.21634	0.7
393.22528	0.8
437.20282	0.8
445.20676	1.4
463.21600	0.7
555.20807	1.8
611.60016	0.6
631.24103	1.0
631.37842	0.6
691.25049	3.7
692.26740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.9
57.03311	1.3
58.00466	1.6
59.01257	26.3
61.84799	0.8
61.98687	1.6
69.03331	1.5
71.01257	24.2
71.53336	1.3
72.99165	1.4
73.02817	2.3
74.36449	0.7
83.01263	2.0
83.04890	1.0
85.02822	3.7
87.00742	4.4
89.02313	14.2
95.01283	1.0
96.95895	0.9
97.02868	2.0
99.00764	1.9
101.02330	14.5
109.02835	1.3
109.06478	5.7
113.02311	8.5
119.03397	4.5
121.02874	1.1
125.02351	5.8
142.93217	0.8
143.03430	2.4
161.04443	3.2
163.11176	3.3
167.40616	0.9
171.10220	8.9
178.87234	0.8
179.05498	3.2
181.12186	1.8
183.13718	1.0
191.05482	1.2
195.13855	7.0
199.09712	1.8
201.11298	1.3
207.10185	9.6
209.11771	4.0
209.13525	0.9
210.12111	1.3
211.13385	9.4
221.06636	1.1
223.13318	6.9
225.11298	5.4
227.12964	1.1
235.08156	5.1
253.09335	4.6
266.29187	0.9
275.20190	6.9
276.20551	0.9
291.19562	1.8
292.20038	0.8
293.21231	100.0
294.21548	9.6
297.26801	0.8
397.13525	27.0
398.14047	2.2
399.14011	0.9
415.14566	25.5
416.14896	2.2
461.20349	1.4
466.65567	0.9
628.11499	1.2
691.34668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
57.03328	4.4
58.00455	1.4
59.01254	25.4
61.98701	0.4
69.03333	1.2
71.01254	24.1
71.54251	1.0
72.99186	1.2
73.02831	3.6
81.03339	1.3
83.01260	2.3
83.04903	0.5
85.02821	4.7
87.00756	3.9
89.02324	17.5
95.01280	1.1
97.02829	3.8
97.06458	1.0
98.28215	0.4
99.00748	1.2
101.02322	15.8
102.02657	0.5
109.02853	0.5
109.06471	5.7
111.00713	0.4
113.01604	0.8
113.02338	7.8
113.09612	13.9
119.03403	5.4
121.02852	0.6
125.02336	6.0
131.03374	0.6
135.08076	0.7
139.03969	0.8
139.11160	1.6
143.03415	2.4
149.04492	0.5
149.09523	0.6
161.04472	3.7
161.09587	0.5
163.11194	2.1
167.10770	2.7
171.10193	1.5
177.12720	1.1
179.05542	4.6
179.10712	1.9
181.12273	0.8
183.13812	0.7
185.11908	0.6
195.13821	3.1
199.09702	1.2
201.11278	0.6
207.10193	7.1
208.10629	0.9
209.11700	0.6
211.13390	4.0
221.06587	1.5
225.11295	4.6
229.63965	0.4
235.08189	6.8
236.08302	0.5
249.22266	1.8
253.09261	3.9
263.07623	1.0
275.20129	1.6
277.09167	0.6
287.07684	1.2
293.21231	100.0
294.21564	10.1
305.08798	1.5
323.09958	0.8
379.12241	1.1
397.13504	43.2
398.13913	4.2
415.14563	24.2
416.14969	1.8
461.20401	1.2
462.20798	0.5
691.34711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03323	3.6
58.00476	1.8
59.01253	30.9
69.03317	1.6
69.26102	1.4
69.26502	6.3
71.01256	34.9
72.99173	1.3
73.02821	3.7
75.00748	0.9
81.03329	1.2
83.01261	1.9
83.04914	1.8
85.02811	4.9
87.00755	4.6
89.02319	18.6
95.01273	1.5
95.04941	0.7
97.02830	4.9
97.06496	1.0
99.00749	2.4
101.02326	17.0
109.06472	10.1
110.03603	0.9
113.02332	8.7
113.09623	13.4
113.86387	0.7
119.03384	4.8
125.02352	5.6
127.11148	1.0
133.04961	1.0
134.43442	0.6
135.08044	1.8
139.11237	0.8
143.03430	3.3
161.04483	3.9
161.09567	1.0
163.11218	4.0
166.15289	0.8
167.10706	2.3
171.10191	3.9
171.11493	0.7
177.12677	1.0
179.05542	3.2
179.10757	1.4
181.12256	1.7
183.13811	2.6
195.13815	2.1
199.09723	2.5
201.11194	1.1
207.08339	1.5
207.10208	19.5
208.10593	0.8
209.11784	1.4
211.13391	7.7
212.13850	0.8
217.07059	0.8
221.06593	1.3
225.11281	10.4
227.12651	1.5
235.08195	5.8
243.12416	1.0
249.22202	2.1
253.09282	6.8
263.07568	1.5
265.21716	4.0
275.20084	2.6
287.07681	1.2
293.21246	100.0
294.21552	8.9
305.08926	1.3
371.19067	0.7
397.13507	44.1
398.14160	3.5
415.14606	26.0
416.14691	1.5
461.20276	3.9
462.20679	1.3
512.48920	0.7
534.29968	0.7
691.35931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56234	1.7
59.01252	33.2
71.01255	20.2
72.99196	1.8
73.02833	13.3
83.01262	4.5
85.02812	4.4
89.02319	12.6
93.03339	15.1
96.95892	20.3
98.20564	4.0
99.00751	6.1
101.02329	11.4
101.05613	1.5
108.02056	3.0
109.02833	3.3
113.02362	8.9
119.03487	3.6
119.04921	92.3
121.02853	4.7
122.03612	4.1
125.02323	5.9
131.03389	1.8
134.03682	2.0
135.04422	6.3
137.02333	4.3
147.04318	2.0
149.02353	7.3
149.04527	2.7
150.03143	18.9
151.03871	2.8
159.04382	2.8
161.02374	2.9
161.04491	4.1
161.05960	4.0
162.03107	6.3
162.06804	3.6
163.03917	7.3
164.04617	4.2
165.05402	4.7
173.05980	3.6
174.03139	1.8
174.06737	2.3
175.03938	11.0
175.07561	4.9
176.04709	3.5
177.05521	3.6
178.70035	1.5
182.02113	4.9
185.05952	4.5
187.07567	12.1
189.05496	5.6
189.09128	2.3
190.06326	8.7
191.05484	5.9
191.07042	3.9
192.07851	3.6
195.06480	3.9
201.05518	3.4
201.09149	10.7
201.11278	4.7
202.06264	2.0
203.07079	38.0
204.07765	6.0
205.08649	100.0
206.08971	7.2
207.06506	3.9
208.07352	2.6
209.11795	26.9
215.07088	24.0
216.07635	2.7
217.08673	8.1
218.09399	2.7
219.06593	11.5
219.10184	5.7
220.07330	9.4
221.08147	24.7
222.08772	3.8
223.09880	2.6
227.12987	2.5
229.34619	1.9
232.07283	11.3
233.08165	67.5
234.08748	6.4
235.09729	51.6
236.10109	3.6
245.08109	3.4
254.05933	2.1
261.11426	1.9
272.07410	1.6
273.46664	1.8
307.13391	23.3
308.13916	1.7
321.11359	9.6
325.14420	18.3
326.14420	2.0
337.14124	3.7
339.12354	61.3
340.12778	5.7
354.14667	31.0
355.15378	15.3
397.16708	3.4
409.15164	4.5
427.15878	1.7
469.18588	3.5
487.19562	13.4
488.19601	2.1
497.16556	2.6
511.18073	2.0
521.16675	2.9
529.20667	30.2
530.21008	3.5
539.17633	19.3
541.19550	2.1
553.18970	2.7
558.19690	6.1
559.20917	9.4
571.11914	3.3
571.20361	52.8
571.29431	2.5
572.20752	6.2
585.21936	5.3
631.23639	6.1
647.38635	1.9
649.25214	10.7
650.25854	2.8
691.25964	21.8
691.36633	3.7
692.26483	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	691.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
56.62860	0.9
56.67665	1.1
59.01250	15.1
65.03828	4.4
66.63885	0.9
67.01748	2.2
68.93145	1.0
71.01249	8.7
72.99184	3.2
73.02811	3.8
80.77154	1.0
81.03336	1.7
83.01254	1.9
83.04888	3.8
85.02831	2.2
89.02333	6.4
89.72398	1.1
91.05408	12.7
93.03326	6.0
96.95886	2.2
97.02805	1.5
98.19747	2.2
99.00745	3.6
99.42317	1.0
101.02325	5.2
104.46785	0.9
108.02066	1.2
109.02842	29.2
110.03106	1.2
113.02337	5.4
119.03373	1.1
119.04901	2.2
121.02849	57.8
125.02335	1.5
125.09600	1.9
127.11176	2.4
133.02856	1.9
134.03662	6.2
135.04420	94.2
136.04765	2.9
137.02354	1.8
143.03452	1.1
145.04964	1.1
147.04430	18.0
149.02376	1.2
150.03192	1.7
151.03964	1.5
157.10146	2.5
161.02324	2.1
161.04448	2.0
162.03137	7.8
163.03952	1.4
163.11191	4.0
165.05437	1.5
165.12717	1.3
171.10181	3.9
175.03903	2.3
176.08324	2.6
179.07159	1.2
189.09142	3.9
190.06194	1.2
191.05513	3.0
191.07132	3.2
192.07907	1.3
194.02235	2.3
199.55452	1.0
201.09421	1.2
201.11258	21.8
202.11559	1.4
203.07077	2.5
203.10828	1.6
204.07860	7.6
205.08656	11.0
206.09286	1.5
207.10223	1.8
209.11787	100.0
210.12137	5.6
215.10652	1.3
216.78427	1.1
217.08658	54.2
218.09378	7.0
219.10226	23.2
225.11282	1.6
227.12880	15.2
229.08617	9.5
230.09380	1.9
232.11046	10.5
233.11707	3.5
235.08177	3.6
245.11815	6.6
253.09323	9.6
261.83621	1.1
265.05966	1.3
319.11838	1.0
321.11124	2.7
337.14310	1.4
339.12375	7.3
340.12964	1.3
353.13980	1.1
354.14694	17.7
355.15341	5.8
377.06662	1.3
404.08710	1.9
445.20837	1.2
509.19830	1.9
513.19879	3.8
527.21344	2.5
555.20691	12.3
556.20831	1.7
559.21808	2.0
569.22400	4.6
581.22516	1.5
631.23749	9.5
649.24884	15.8
650.25452	2.9
691.25897	31.6
692.25732	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	691.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97133	1.1
57.03315	2.5
59.01249	4.5
59.59530	1.1
69.88816	3.3
69.89205	2.1
71.01256	7.9
72.99171	1.1
73.02829	3.2
75.96059	1.0
78.97550	1.1
81.03337	2.7
83.01263	4.0
85.02837	3.3
93.03310	1.4
95.04904	2.5
96.95913	5.2
97.02835	6.4
98.20522	2.2
99.00754	2.7
101.02345	5.2
101.88321	1.0
108.02062	1.2
108.38966	1.1
109.02836	24.5
113.02332	3.8
121.02816	2.8
122.03606	2.0
123.04433	16.0
125.02334	16.0
131.65096	1.1
135.04414	1.9
137.02348	9.2
138.03159	1.3
139.03903	3.8
144.01146	1.2
146.03624	1.3
149.02333	3.5
150.03114	4.1
151.03946	8.2
153.01825	1.4
159.04329	2.2
160.05130	1.1
161.02361	2.0
161.04431	3.5
161.05943	3.6
162.03067	1.5
164.01065	3.4
165.01849	5.7
175.03967	2.4
175.05363	1.1
175.07561	1.1
177.05478	1.3
179.03439	6.2
187.03897	5.1
188.04770	3.3
202.06262	1.4
203.07039	9.6
205.05000	7.0
205.06984	2.3
221.08127	2.7
227.07121	1.4
245.08179	18.7
246.08466	1.9
269.10236	6.9
289.07193	100.0
290.07541	7.0
327.13483	2.3
328.13882	3.8
401.14581	37.9
402.14804	2.9
450.50131	1.2
477.36285	1.1
539.16187	1.5
650.57831	1.2
691.25000	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	690.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16442	0.5
59.01246	1.9
70.02854	21.8
71.01258	5.0
72.00767	0.9
78.84949	0.6
85.02819	0.8
87.00797	0.6
91.05428	2.9
96.95886	1.2
96.99204	5.1
114.01861	100.0
115.02203	1.8
117.03355	9.1
117.07038	0.8
118.06523	0.8
125.02374	0.8
125.06028	0.6
129.01828	1.8
134.06021	15.3
138.51555	0.6
139.07599	0.7
144.08093	2.2
146.04497	2.3
146.06044	2.6
151.03960	0.7
151.07576	3.0
152.08212	0.8
153.09113	0.6
160.07600	2.7
183.89186	0.6
188.07098	3.9
201.12816	0.7
204.11546	0.9
219.13879	1.9
232.06120	81.3
233.06367	3.6
256.23978	0.7
263.12894	7.1
264.08759	22.1
264.13168	1.2
265.09094	0.8
287.12863	0.6
302.75665	0.6
305.13931	0.8
587.33398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
63.39231	0.2
69.37905	0.5
69.38325	1.5
71.01252	0.6
74.02365	0.5
78.61029	0.2
79.95612	3.3
85.02836	0.2
87.00768	0.3
87.92214	0.2
89.02297	0.3
96.95896	100.0
97.95827	0.4
98.20573	0.4
101.02312	0.4
116.03403	0.2
117.03414	0.3
125.02396	0.4
146.05984	0.4
161.02263	0.3
175.00336	0.5
191.05557	0.4
203.08255	0.4
245.09445	1.3
293.04611	4.2
294.04797	0.5
327.13535	0.8
328.13651	0.4
413.08896	1.6
546.13422	0.2
593.15186	2.0
690.72394	0.3
691.24744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.2
59.01254	77.6
61.98705	6.0
66.37812	3.8
68.68639	3.4
69.03326	6.5
71.01257	100.0
71.58437	3.6
72.99169	7.2
73.02818	15.1
75.00772	4.5
81.03340	5.6
83.01273	5.8
83.04909	5.4
85.02826	13.7
89.02319	69.1
93.03346	5.0
96.95873	8.3
97.02837	15.0
97.78614	3.5
99.00764	15.1
101.02340	23.8
108.02066	5.9
109.02826	7.8
111.00845	4.8
113.02332	11.4
115.03880	5.2
119.03452	5.5
125.02341	40.8
131.03384	11.9
137.02338	4.5
143.03374	4.6
147.05640	3.9
149.04449	13.5
161.02405	5.5
161.04424	4.9
163.11197	4.5
171.10143	32.7
172.10497	7.9
173.04568	4.1
181.12198	5.8
183.13864	5.1
191.05548	11.2
197.11726	8.0
198.23314	4.0
199.09567	3.8
199.13368	4.5
200.04678	24.0
201.11276	10.4
207.10223	21.4
209.11772	74.1
210.12123	24.1
211.13353	7.7
225.11203	24.6
226.11694	3.9
227.12836	17.2
228.88916	3.8
233.06607	27.2
235.08197	6.6
236.53636	3.9
243.12300	6.9
253.09315	14.6
289.07095	7.9
293.08743	54.2
323.86191	4.2
336.12415	8.0
689.33490	5.5
690.34686	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	689.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.4
60.49503	2.6
61.98703	9.7
65.03844	5.0
71.01260	18.6
75.30942	2.5
81.03291	2.7
83.04900	4.1
85.02869	2.7
94.89637	2.5
96.95877	3.4
101.02322	3.7
109.02837	16.3
109.06479	5.5
111.08015	14.5
112.43689	2.9
121.02833	17.8
125.09690	2.9
135.04471	3.6
161.02425	3.2
163.11201	6.9
169.12244	5.5
171.10165	15.8
177.06267	2.7
181.12257	3.6
185.11769	4.0
191.05394	3.2
196.48950	2.5
197.11781	61.4
199.13339	3.5
201.11278	7.4
207.10234	10.8
209.11769	42.7
211.13428	14.2
223.13210	2.6
225.11252	12.3
227.12877	8.6
229.22673	3.6
241.04987	17.3
242.05791	3.3
253.09233	6.5
257.15375	12.7
263.20081	3.5
264.55630	2.7
265.17926	2.8
269.15454	13.1
291.19638	20.2
309.20724	96.8
310.21033	6.7
311.20346	3.4
332.14246	2.7
337.18277	7.9
361.18008	5.1
379.19174	100.0
380.19455	8.6
432.51010	3.0
671.32825	4.2
689.33081	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	690.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31530	5.1
57.08070	5.3
59.01250	51.5
61.98696	8.7
63.06563	5.7
71.01257	83.7
71.07214	14.8
73.02817	9.7
75.00784	6.3
83.04922	10.1
85.02810	11.3
89.02336	19.1
96.26037	5.6
96.95909	16.4
97.02822	6.8
99.00755	7.2
101.02339	20.5
109.02843	7.2
109.06451	5.8
110.92508	6.0
113.02321	13.1
115.84740	6.2
119.03432	5.8
125.02348	15.0
125.09610	8.9
151.11185	8.1
163.11201	10.0
169.12259	25.5
171.10193	32.5
172.10504	9.2
179.05411	5.5
181.12259	11.9
183.13818	15.2
197.11853	12.7
199.13347	16.5
200.04822	6.9
201.11241	17.4
202.11627	9.6
207.10301	19.0
208.10533	7.3
209.11765	100.0
209.15427	13.1
210.12140	37.7
211.13434	14.0
225.11360	32.7
226.11742	6.1
227.12938	20.3
235.08089	7.6
253.09258	17.7
275.20242	7.6
293.21231	41.1
336.12390	16.2
397.13538	29.7
415.14508	7.0
636.30798	6.6
659.32092	32.1
672.32605	6.9
689.33368	10.3
690.34137	33.3
691.36157	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	689.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79962	0.9
55.01763	1.2
59.01252	28.7
61.98678	1.4
65.49849	1.1
69.03329	2.3
69.26494	5.3
69.26921	5.3
71.01251	32.7
72.99168	3.4
73.02804	3.6
78.67217	0.9
81.03313	1.5
83.01240	2.4
83.04902	2.7
85.02812	5.4
87.00742	3.9
89.02316	18.2
91.03899	1.3
94.04588	0.9
95.01248	2.2
97.02840	5.0
98.20572	1.8
99.00737	3.8
101.02324	18.3
103.03957	1.0
108.02048	2.6
109.06445	1.2
113.02322	11.7
119.03405	5.3
121.10084	1.5
125.02337	6.9
125.09586	5.5
127.11200	3.1
141.01677	1.5
143.03377	3.3
153.12733	1.4
161.04437	3.5
163.07481	1.0
163.11128	3.2
165.54832	0.8
166.51215	1.0
171.04271	1.0
171.10153	5.3
179.05499	3.8
181.12167	1.5
183.13802	1.6
185.11710	3.2
191.05562	2.1
197.11809	1.3
199.04158	1.0
200.04640	1.6
201.04933	1.0
201.11250	4.1
207.10205	3.8
209.11774	27.1
210.12019	2.0
211.13383	8.8
214.18799	1.2
221.06425	2.1
225.11282	7.1
227.12741	3.0
229.19882	1.0
235.08215	7.3
243.12660	1.0
247.20624	3.3
249.14935	1.3
253.09235	3.4
263.20102	9.5
264.20560	1.1
273.18698	6.2
287.07770	1.2
291.19647	100.0
292.19873	6.9
305.08804	1.1
389.91699	1.1
394.16483	2.8
395.12326	1.0
395.16940	5.9
397.13474	50.0
398.13803	3.4
415.14532	28.2
416.15033	1.8
461.20465	1.1
578.39746	1.2
642.68628	1.2
668.78467	1.1
689.34314	9.4
690.35291	1.8
704.55066	1.0
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
57.03319	1.6
58.00459	1.2
59.00947	1.6
59.01250	32.7
61.98697	1.4
65.10528	0.6
69.03323	1.8
71.01254	27.0
72.99173	2.2
73.02831	4.2
81.00668	0.7
81.03329	1.0
82.29900	0.6
83.01263	2.2
83.04888	2.5
85.02831	5.8
87.00742	4.3
89.02320	19.5
95.01280	2.1
95.04875	1.3
96.95886	1.9
97.02840	3.6
97.06489	0.9
98.19814	1.5
99.00745	1.8
101.01691	1.4
101.02317	17.8
109.06435	1.0
109.35345	0.6
111.08041	8.1
113.02317	9.7
115.53084	0.7
119.03383	6.6
121.02859	1.0
123.04388	1.0
123.35510	0.7
125.02336	7.0
125.09561	1.3
137.09579	0.9
141.01649	4.3
143.03391	2.8
149.04486	0.9
149.09680	1.3
161.04477	3.3
163.11195	1.6
165.12730	0.9
167.10648	1.9
169.12227	0.7
171.10196	6.1
175.03984	0.7
177.12747	1.7
179.05547	4.3
179.10675	2.1
181.12256	1.2
185.11864	0.8
191.05492	1.2
195.13867	5.5
197.11737	1.7
201.11259	2.5
202.40474	0.8
207.10260	4.3
209.11768	19.4
210.12076	1.0
211.13344	4.3
215.12804	1.3
221.06691	1.7
225.11252	4.7
227.12894	2.9
235.08211	6.3
247.20627	2.4
253.09273	4.4
263.07700	1.1
263.20166	1.7
264.36420	0.8
273.18573	2.4
274.95035	0.8
287.07602	0.9
291.19656	100.0
292.19968	8.0
305.08710	1.3
379.12900	0.8
397.13504	42.4
398.13834	3.2
415.14539	24.8
416.15018	1.6
485.39294	0.8
615.11511	0.8
653.32269	0.9
689.33551	6.8
690.34149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09893	0.7
59.01255	10.3
71.01249	6.7
73.02824	2.9
81.11031	0.8
83.01255	1.2
85.02824	1.8
86.15490	0.7
87.00714	1.0
89.02306	2.1
93.03338	2.4
93.21909	0.7
99.00754	5.7
101.02312	3.5
107.04933	4.6
113.02327	5.3
119.04919	94.3
120.05260	3.4
125.02378	1.3
134.03622	1.9
135.04433	0.9
135.58118	0.7
143.03487	0.9
166.02654	1.7
171.10170	3.6
173.05986	1.2
174.06746	1.7
176.09048	0.7
189.09148	100.0
190.09468	5.4
191.05434	0.7
195.09911	0.6
197.11818	0.9
199.13306	1.4
201.05728	0.8
201.11230	0.9
203.10724	9.9
207.10313	1.8
209.11769	7.2
215.10701	1.0
221.08162	1.1
225.11261	2.9
227.12868	1.3
243.12282	1.0
253.09183	0.8
309.14954	46.4
310.15326	4.1
323.12927	2.4
346.53821	0.7
547.74536	0.7
561.80640	0.9
585.23016	1.3
603.24463	15.2
604.24921	1.7
645.25494	24.2
646.25800	4.2
689.22894	0.9
689.33990	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	689.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52085	1.6
57.03334	1.6
59.01252	14.1
69.42907	14.2
69.43319	2.1
71.01251	10.1
73.02824	2.3
83.04893	1.8
85.02830	3.1
89.02315	5.6
92.46652	1.7
93.03334	7.2
96.95882	2.6
99.00761	7.0
101.02341	3.0
107.04916	4.2
109.06475	2.4
113.02322	4.6
119.04923	55.5
120.05258	2.7
125.02355	6.3
134.03641	2.6
135.04402	2.4
147.04422	2.3
149.04410	2.9
151.03949	2.1
158.92427	1.7
161.04520	2.3
163.11203	2.9
164.04628	1.7
166.02786	2.2
171.10204	9.2
173.05911	1.7
174.06816	2.5
177.09152	11.4
181.12230	4.4
189.09140	100.0
190.09500	4.6
191.05638	1.8
201.11285	3.0
203.10725	25.4
207.10205	6.9
209.11772	21.7
215.10597	2.5
225.11258	10.5
227.12862	5.3
231.10074	2.2
243.12422	3.7
253.09413	2.3
309.15005	12.2
439.32809	2.1
456.57709	1.6
474.47397	1.8
483.18945	2.8
513.20020	4.5
525.19830	31.7
526.19965	4.3
644.36292	1.8
645.25708	10.8
682.87726	1.7
689.34106	12.6
690.33905	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	688.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.8
55.29532	0.8
57.03314	1.0
58.00477	1.0
58.04570	0.8
59.01250	12.0
61.98705	1.1
71.01259	16.3
71.58440	0.9
72.58707	0.9
72.99188	0.8
73.02818	4.4
78.37922	0.7
83.01252	1.0
83.04897	1.1
85.02821	4.0
86.23620	0.8
87.00745	1.2
89.02331	5.1
94.02878	2.6
96.95910	1.2
97.02858	1.3
99.00758	9.5
101.02316	6.7
108.02057	36.9
113.02332	5.2
125.02350	1.1
127.48504	0.8
131.03375	1.0
142.43324	0.7
143.04936	3.4
161.04524	6.0
171.04459	10.0
171.10184	3.8
172.05223	3.0
172.10442	1.0
181.12340	0.9
191.05536	3.5
197.11830	1.4
199.03883	4.5
200.04733	31.8
201.05215	1.9
201.11308	1.8
207.10208	1.8
209.11803	11.2
210.12132	1.4
211.13390	2.5
224.09874	0.8
225.11320	3.7
227.12790	1.9
253.09265	1.3
291.19818	3.8
299.12979	2.6
352.63223	1.0
375.87463	0.9
394.16602	100.0
395.16946	12.3
397.13522	1.8
453.78000	1.1
492.99075	1.1
671.33008	1.1
688.25555	13.0
689.26025	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	687.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94136	1.3
55.72689	1.3
56.01964	1.2
56.52277	1.1
57.03326	2.5
59.01250	6.7
69.03333	2.0
70.35241	1.2
70.55917	3.7
71.01260	5.1
73.02830	2.5
73.34784	1.2
75.00730	1.4
83.04896	3.1
85.02811	5.5
87.00755	3.0
87.04375	1.5
89.02312	3.8
93.03334	2.4
93.16890	1.2
93.31494	1.2
96.95900	4.9
97.02797	1.6
97.06464	4.7
99.00735	1.4
99.04411	1.5
101.02319	4.0
107.04909	1.4
107.10633	1.2
108.02042	2.7
109.02845	4.0
109.06477	16.4
111.04408	2.8
111.08015	2.1
113.02340	2.3
114.98533	1.8
121.02831	1.6
123.00826	1.5
123.04443	1.9
123.08057	9.5
125.02309	2.9
125.09595	1.6
127.07514	2.3
135.04437	1.9
135.08023	14.2
136.05209	9.1
137.02333	4.5
137.05913	1.9
138.06769	6.2
141.09105	1.8
149.05975	3.6
150.03151	1.6
150.06752	3.7
151.03894	3.6
151.07504	2.2
152.01010	4.5
153.01837	1.7
153.09129	29.4
154.09406	1.3
163.07603	3.7
164.08284	1.8
165.09132	7.4
173.08156	1.3
179.03404	1.5
185.11682	1.5
187.09703	15.3
191.05536	4.8
200.04871	1.6
203.09178	2.6
211.13341	1.7
217.10759	100.0
218.11096	6.1
231.12311	3.2
289.07086	1.3
307.19333	1.9
337.20172	4.9
462.31540	1.6
525.30609	2.8
537.21216	1.5
639.24207	1.5
669.35187	4.0
687.35938	87.8
688.36530	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	687.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.6
57.93456	1.2
59.01253	7.4
61.23489	1.1
71.01263	4.8
71.58221	1.7
71.58598	1.6
73.02827	2.5
75.00758	2.1
83.04914	2.3
85.02827	2.8
89.02333	2.9
93.03363	2.6
96.95892	5.0
97.06474	4.1
99.00787	1.2
99.04414	2.1
101.02332	2.3
107.04892	1.2
108.02040	4.1
109.02835	3.9
109.06483	15.1
111.00817	1.3
111.04372	2.6
111.08054	1.9
113.02337	1.3
114.98488	1.5
119.04929	1.8
119.75756	1.1
122.84237	1.1
123.04387	1.3
123.08038	11.1
125.02283	1.6
125.09608	1.5
134.03613	1.3
135.04437	1.7
135.08070	13.6
136.05205	8.0
137.02324	2.9
137.05933	1.2
138.06793	5.9
139.07521	2.3
141.09085	2.1
149.02397	1.6
149.06006	3.0
150.06752	2.7
151.03976	2.3
151.07582	1.9
152.01079	2.2
153.01817	2.9
153.09128	27.9
154.09389	1.2
156.20514	1.2
158.72183	1.1
163.07582	2.8
164.08333	1.4
165.05540	1.8
165.09134	7.0
168.93846	1.2
173.08118	2.6
187.09682	15.5
191.05565	3.1
197.87579	1.1
203.09221	3.9
217.10757	100.0
218.11086	3.7
231.12424	1.5
306.18488	1.6
307.19193	1.7
311.49091	1.2
321.20526	1.5
336.19125	1.2
337.20358	4.3
507.29630	4.0
525.30109	1.8
669.35321	4.0
687.35986	80.6
688.36499	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	685.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53940	1.0
57.03315	4.7
59.01240	3.8
68.46176	1.1
69.07411	1.0
71.01244	4.2
71.06953	2.6
72.08655	1.0
83.04861	1.3
83.46673	1.1
87.00756	2.0
89.02302	1.2
90.10271	1.1
95.04911	2.8
97.06475	17.6
101.02325	4.7
112.72381	1.1
113.02350	2.8
121.11665	1.1
123.08047	9.6
125.09621	92.9
126.09946	2.4
143.10721	1.3
145.04964	1.3
169.08643	1.8
187.09697	34.7
191.69724	1.1
235.08260	2.7
253.09303	4.1
261.13339	1.6
279.23309	58.1
280.23672	2.9
405.17679	7.5
423.18881	7.1
514.72363	1.2
628.42480	1.2
685.41675	100.0
686.41986	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	685.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.8
59.01251	5.9
61.98673	1.4
64.85406	0.8
69.03335	1.3
71.01265	4.5
77.48926	0.9
78.95763	1.3
85.02834	1.5
89.02293	4.7
95.04906	0.8
97.06470	12.4
101.02332	2.9
103.13893	0.9
103.52003	1.0
113.02347	2.5
119.03391	1.3
123.08055	7.6
125.09613	87.4
126.09939	2.0
136.70473	1.0
143.03673	0.8
143.10669	1.5
148.32922	0.9
169.08597	1.8
179.05455	1.3
180.64218	1.0
187.09683	69.9
188.10052	3.0
253.09323	2.9
255.23227	1.3
279.23306	19.3
280.23654	1.2
405.17648	6.4
423.18747	23.0
424.19046	1.4
631.25970	1.0
685.41687	100.0
686.41956	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25740	0.6
57.03312	0.6
59.01249	2.8
60.52924	0.6
62.40257	0.6
67.91514	0.5
71.01257	1.7
71.46019	1.3
73.02809	1.1
85.02826	1.2
87.00745	0.8
96.95901	1.6
99.04395	0.8
101.02314	1.3
105.70174	0.5
113.02393	0.6
125.02316	0.7
135.04350	0.7
136.05203	1.0
137.02356	0.7
149.05954	1.4
150.06773	24.9
151.07541	1.3
157.08730	0.8
162.06731	1.2
163.07570	6.7
164.08327	5.6
171.10165	1.1
176.08267	0.8
178.09991	1.1
179.10713	13.6
201.11241	3.2
229.10521	0.8
313.20163	0.7
320.19775	1.3
321.20517	1.1
335.22128	0.8
341.23328	2.1
343.21292	3.1
351.21655	1.9
443.28375	0.7
459.31046	1.0
462.29733	1.2
476.31308	0.7
477.32382	3.5
504.30856	2.0
505.31955	1.9
522.32123	4.2
523.32764	17.4
523.40643	0.9
524.33014	1.7
589.75092	0.7
613.60675	0.6
625.36194	0.9
685.38055	100.0
686.38367	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	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21169	0.7
57.03326	1.5
59.01257	5.0
71.01254	2.9
71.35725	1.5
73.02829	3.9
74.49257	0.7
78.95786	0.8
85.02831	2.4
87.00751	1.7
89.02319	1.8
90.29886	0.7
96.95905	3.4
97.08572	0.6
99.04395	0.9
101.02319	1.6
108.02077	1.2
109.02846	0.8
113.02349	1.3
119.04915	0.8
123.04438	1.1
125.02377	0.9
135.04405	1.2
135.08018	0.8
137.02357	2.0
149.05998	2.5
150.06769	36.3
151.03915	1.9
151.07094	0.9
152.04729	1.4
161.04459	0.8
161.09648	1.0
162.06784	1.4
163.03909	0.7
163.07542	8.6
164.08316	6.4
165.05467	1.0
167.03461	0.7
169.12257	1.6
171.10165	1.2
176.08307	1.2
177.01794	0.8
177.09131	1.3
178.09831	2.1
179.10704	20.9
191.05453	0.8
193.04988	1.0
196.03763	2.5
201.11282	1.4
211.06273	0.7
215.12900	1.2
255.23264	1.2
313.20224	2.2
320.19949	1.6
321.20743	1.6
341.23206	1.4
343.21344	2.5
350.20932	0.9
364.22437	0.9
373.25888	1.5
378.24274	0.9
393.26614	4.2
413.27283	1.0
431.27832	2.7
448.28238	1.0
449.28870	2.0
462.29834	1.4
476.31363	1.4
477.32129	3.4
493.31915	2.3
500.87671	0.8
504.30988	3.1
505.31516	3.5
506.31812	1.1
513.27478	1.0
522.32013	4.5
523.25525	1.1
523.32788	14.4
524.33710	1.6
535.18304	0.9
638.78790	0.8
667.25427	0.9
667.36945	1.0
685.38074	100.0
686.38617	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	685.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.0
59.45947	0.3
61.98682	0.4
69.29737	0.4
71.01257	2.6
73.02808	0.5
78.95792	1.9
79.95606	2.7
85.02827	0.9
89.02315	0.7
90.65447	0.4
93.01321	0.5
93.03329	0.4
96.95895	100.0
97.02812	0.6
100.51140	0.4
101.02320	1.0
109.00267	0.4
109.06458	0.4
113.01946	2.4
114.02347	0.4
114.93303	0.8
117.07026	1.7
118.96512	0.6
119.03510	0.3
119.04935	5.2
121.02860	0.7
121.84811	0.3
125.02338	0.5
125.09596	0.6
132.98100	0.5
135.04462	0.6
136.01584	0.5
151.03911	0.4
151.07578	0.4
157.00948	0.5
158.01434	0.4
161.79550	0.4
163.07585	0.5
163.11205	0.6
167.03362	0.4
175.07556	0.4
181.12303	0.8
185.05916	0.4
195.16743	0.5
195.59052	0.4
197.11794	3.6
198.99413	0.4
204.07928	1.2
207.10243	1.9
209.11745	0.8
217.00343	0.5
219.10249	5.1
225.11339	2.1
241.10880	0.4
253.09109	0.6
259.01443	1.8
287.16492	0.8
301.02292	0.7
303.05481	0.9
339.15985	3.9
340.16571	0.4
379.06897	0.5
437.12759	2.6
439.09647	0.5
599.17603	0.7
685.29669	6.9
685.40637	0.7
686.30524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45257	0.6
57.03334	4.2
59.01254	6.2
69.03329	1.2
69.22289	0.5
71.01255	4.9
71.16636	0.7
71.16988	1.2
73.02844	0.8
80.72798	0.5
83.01256	0.6
83.04903	0.6
85.02811	1.1
87.00794	0.7
89.02321	3.7
95.01287	0.8
95.04901	1.2
97.06466	13.8
101.02322	3.0
113.02328	1.7
115.01321	0.5
119.03374	0.9
123.08049	7.6
125.09617	100.0
126.09980	2.8
141.58942	0.6
143.10722	1.3
161.04529	0.8
169.08591	1.6
179.05554	1.4
187.09688	73.5
188.10075	3.2
211.09741	1.0
253.09338	1.8
261.13324	1.5
277.18930	1.1
277.21732	15.4
278.22003	1.4
285.47766	0.7
314.56332	0.6
405.17731	6.4
423.18695	22.1
424.19113	1.9
568.16400	0.6
683.40094	85.3
684.29016	1.2
684.40460	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82064	0.7
56.72773	0.7
57.03328	5.6
59.01253	7.4
61.17356	0.8
61.98708	3.2
69.03321	1.2
70.09104	2.3
70.09510	1.5
71.01255	4.8
73.02827	1.5
74.72311	0.7
80.02549	0.7
81.03342	0.7
83.04942	1.2
85.02854	2.5
87.00758	2.1
87.65594	0.7
89.02322	2.9
95.04884	1.3
97.06470	18.0
98.01154	0.7
98.20454	0.9
101.02321	5.0
113.02335	2.7
123.08052	10.3
125.09618	100.0
126.09982	3.9
145.04971	1.5
154.45045	0.7
156.22009	0.6
161.04456	1.1
169.08606	2.2
187.09691	40.9
188.09999	1.5
235.08244	4.0
238.19830	0.7
253.09236	4.0
261.13437	1.0
277.21725	48.7
278.22067	5.3
405.17609	6.4
406.17966	1.1
423.18701	7.6
424.18930	0.9
430.86032	0.8
683.40070	97.1
684.40570	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	683.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59255	1.6
54.55012	1.7
57.03325	3.0
59.01253	100.0
60.01631	1.9
69.03334	2.3
71.01256	42.6
71.57835	2.0
71.58237	2.2
72.99184	3.1
73.02806	11.7
75.00749	4.2
83.01261	4.5
85.02835	15.0
87.00751	4.0
89.02322	18.6
93.03365	2.8
95.01318	2.7
96.95907	6.1
97.02850	7.6
99.00746	13.3
99.04441	1.6
101.02333	19.3
109.02840	2.1
113.02342	19.0
116.92681	1.9
119.03417	5.0
119.04929	2.9
123.04391	2.3
125.02346	7.4
133.02850	2.1
135.04404	2.8
136.01598	2.1
137.02357	2.1
149.04482	2.6
149.05978	2.7
151.03912	2.9
161.02415	3.6
161.04486	17.0
163.11229	3.3
167.03365	2.0
179.05573	3.5
181.04907	2.0
181.12302	11.4
191.05554	4.9
207.10204	27.5
208.10382	1.9
225.11293	42.9
226.11513	2.5
227.10760	4.4
243.12360	14.3
277.25885	2.0
356.12561	2.1
361.51840	2.0
369.13464	3.6
387.10803	3.4
389.25168	3.3
397.13831	3.3
430.66339	1.7
431.17328	3.2
623.25537	42.1
624.26019	8.4
683.37921	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	683.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55647	1.7
58.00471	2.4
59.01253	54.0
59.55436	1.6
60.16090	1.7
61.60638	1.6
61.80167	1.9
61.98711	2.1
62.57851	1.9
69.03336	2.2
70.09194	6.4
70.09608	3.0
71.01257	17.6
73.02840	4.5
73.38743	1.9
77.83257	2.0
82.40217	2.1
83.01270	2.4
83.04893	1.7
85.02822	2.8
87.00758	8.1
89.02338	7.6
101.02323	12.3
101.23269	1.7
109.06457	2.2
113.02340	6.1
119.03423	1.9
125.02386	2.7
135.08020	1.8
136.01239	1.7
145.04959	2.9
161.04460	2.6
171.10201	36.3
172.10503	2.4
179.05663	2.8
235.08174	12.0
253.09273	3.9
293.21207	16.7
325.25336	5.5
341.24832	3.9
343.26392	6.5
359.25928	7.6
369.24408	8.6
387.25403	39.8
388.26019	3.6
405.26385	25.1
406.26712	3.3
623.34320	100.0
624.34723	17.2
643.64056	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	683.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
58.00467	1.3
59.01251	36.0
64.15107	0.6
66.49626	0.6
69.54115	4.9
69.54444	1.0
71.01250	27.3
72.99183	1.4
77.27604	0.6
83.01259	1.0
83.25309	0.5
85.02816	4.1
87.00742	1.7
89.02317	31.9
94.83942	0.6
95.01250	1.5
96.95945	0.6
98.20555	1.2
101.02322	13.0
113.02325	10.4
119.03382	11.6
125.02338	0.6
131.03421	1.3
143.03401	2.9
143.70242	0.6
149.04462	1.5
161.04468	3.7
179.05533	18.8
189.91284	0.6
194.40900	0.7
217.89459	0.6
244.72679	0.6
259.98404	0.6
276.86401	0.6
283.94385	0.6
286.51913	0.7
341.10867	100.0
342.11145	6.9
347.07532	0.7
389.50986	0.6
397.72195	0.6
456.54944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94375	1.1
59.01259	5.9
62.23244	1.2
71.01244	3.7
71.57790	1.3
71.58187	1.3
73.02818	2.2
77.23894	1.2
81.03333	1.8
83.01262	1.8
85.02805	1.7
89.02312	2.7
95.04876	2.1
96.95869	2.3
97.02837	10.1
99.00764	5.2
101.02322	1.8
108.02073	2.5
109.02833	1.7
111.11288	1.2
121.02833	4.2
122.03642	3.3
123.04391	3.1
124.01558	1.5
125.02339	3.9
134.03629	2.6
135.04434	1.6
137.02344	10.4
138.03099	1.8
139.03867	8.0
148.01617	1.9
149.02414	2.6
149.04446	3.0
151.03900	1.7
161.02342	3.1
163.03877	2.1
165.01842	4.3
165.05516	1.6
166.02663	2.6
178.02621	1.8
179.03441	1.9
180.73820	1.2
191.05499	4.1
193.04961	3.8
200.04648	1.7
202.06238	1.4
204.04318	1.4
217.08633	2.1
219.06685	2.2
220.07327	4.2
225.05551	1.6
226.06393	2.4
235.09702	1.6
241.08575	2.1
244.07375	3.5
259.09744	2.2
269.04584	4.6
270.05273	10.0
285.07666	100.0
286.08087	7.2
303.08710	29.6
327.08691	2.4
405.15579	1.7
473.12674	1.8
639.19220	10.3
640.18970	2.1
683.21051	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	683.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01246	5.3
62.12507	0.9
68.99706	1.6
69.52248	6.7
71.01248	4.9
73.02822	1.7
81.03336	7.4
83.01260	6.3
85.02845	2.7
89.02296	0.8
93.02859	1.0
93.03340	6.4
95.01261	2.5
95.04906	4.1
97.02832	5.9
99.00745	1.5
99.04388	2.6
101.02343	2.1
107.04895	2.3
109.02852	3.0
109.06497	1.2
111.00783	2.0
111.04403	2.8
113.02309	3.3
119.03539	0.9
119.04930	9.6
121.02852	4.0
123.00779	1.6
123.04426	17.7
125.02339	12.1
133.02859	1.1
135.04425	5.1
137.02365	5.2
137.05992	5.2
139.03917	8.6
141.05492	1.0
145.06618	0.8
147.04419	4.1
149.02339	2.1
149.05969	1.3
151.03929	5.2
153.05479	1.1
154.02567	1.0
155.03435	1.0
161.02373	1.0
161.05988	1.9
163.03900	4.4
165.01842	3.5
165.05473	6.6
166.02649	2.9
167.03426	26.6
168.03720	1.6
177.05502	2.3
179.03412	6.2
179.07028	0.9
180.04037	1.1
181.05008	3.4
189.05513	8.1
191.03453	1.9
193.05016	3.4
197.04462	5.3
203.03419	0.9
205.04973	1.5
207.06540	1.1
207.77315	1.0
209.04494	20.7
219.02930	1.0
221.04544	3.3
223.06168	1.0
225.11383	1.8
239.05617	9.9
251.05580	3.7
269.06573	1.7
273.07678	3.0
281.06537	1.1
285.07730	2.3
315.08746	12.4
316.08905	1.2
327.08749	5.1
341.10425	1.0
345.09799	6.1
346.10040	1.2
357.09802	100.0
358.10181	9.0
369.09637	3.3
371.11603	1.2
387.10849	74.6
388.11209	8.7
399.10800	3.1
406.64804	1.1
417.11951	25.2
418.12109	2.0
429.11859	1.3
441.11880	2.5
459.12979	6.0
471.12952	1.9
477.07538	0.7
477.14029	16.9
478.14200	1.5
489.13968	4.1
501.13965	3.0
507.14871	2.3
519.14459	4.5
531.14978	1.2
549.16058	2.0
597.18481	2.0
598.18811	1.2
639.19611	2.5
649.09204	1.0
683.35675	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	681.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.9
66.22500	2.7
71.01256	5.0
71.58971	3.7
91.05407	11.6
93.03335	6.1
96.95889	3.9
106.44661	2.6
109.02855	19.9
119.04923	3.2
121.02867	27.2
123.04397	8.1
125.02337	3.0
135.04425	100.0
147.04433	11.5
148.05103	3.3
156.29980	3.1
166.62427	3.0
171.10260	3.3
175.03983	3.0
177.09070	7.4
189.09117	14.6
201.09119	3.7
203.10732	26.5
215.10757	5.9
218.09468	6.8
233.11757	5.2
245.11758	9.0
266.02774	3.0
325.14423	22.0
341.13589	4.0
351.08563	3.4
355.15680	19.0
403.67645	3.3
441.07928	3.5
513.11945	6.0
681.42273	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	681.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03312	1.3
58.00469	3.0
59.01253	35.9
60.14425	0.7
61.98698	2.2
68.99692	1.1
69.03320	2.3
69.42443	0.6
71.01254	36.9
71.50032	1.1
72.99175	2.7
73.02824	5.6
76.14355	0.5
81.03319	1.6
83.01245	3.7
85.02821	7.9
87.00751	8.4
89.02319	28.8
91.03901	0.8
95.01255	2.5
97.02824	6.4
99.00760	2.3
101.02323	27.9
111.00784	0.8
111.04356	1.4
113.02330	14.9
115.03836	0.8
119.03394	9.3
122.74480	0.6
125.02354	13.9
127.03868	0.6
127.47213	0.7
131.03394	1.9
133.05014	0.9
141.01817	0.7
143.03403	4.6
149.04448	1.3
161.04480	6.7
167.03369	0.9
176.82149	0.6
179.05525	6.5
181.04948	0.7
185.11778	1.1
187.74524	0.7
192.53323	0.6
203.05522	1.0
217.07225	1.1
221.06638	2.0
235.08192	12.5
253.09315	3.1
263.07599	1.4
277.09158	1.1
277.55609	0.6
283.26422	100.0
284.26791	7.0
287.07709	2.8
297.27802	0.6
305.08774	3.9
323.09793	1.5
379.12418	1.5
397.13510	74.0
398.13849	5.1
415.14581	31.6
415.19095	0.7
416.14899	2.4
477.23352	0.7
690.77472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	25.9
61.17212	1.5
71.01263	14.2
71.38472	3.8
72.99188	2.4
73.02834	3.1
75.00748	4.2
78.05861	1.8
85.02845	4.1
87.00761	2.1
89.02322	6.4
91.05385	1.7
93.03333	7.0
95.04908	1.8
96.95895	7.8
99.00731	3.3
101.02324	7.9
109.02847	6.1
113.02332	7.1
116.54567	1.9
119.04842	2.6
121.02846	6.3
123.00819	2.0
123.04418	2.2
125.02322	4.0
134.03633	2.1
135.04483	9.7
136.04776	5.0
136.77213	1.8
137.02324	12.4
139.03880	2.1
149.02338	5.9
151.00294	7.8
151.03831	4.2
161.02321	2.1
162.09070	1.7
165.05391	2.3
166.02635	25.6
175.03969	3.2
177.01892	3.2
181.04984	31.8
191.05490	5.7
205.05029	2.1
217.08609	4.6
223.06105	4.6
233.11754	2.4
252.46733	1.8
341.10043	2.8
342.10947	3.1
356.12515	4.4
357.13156	2.6
387.10461	12.1
387.15024	3.7
402.13336	5.4
417.15515	100.0
418.15738	9.6
431.12155	3.1
519.19556	6.8
519.31720	2.0
537.33453	2.9
637.32361	3.0
681.24524	8.2
681.36890	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	681.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	24.4
68.55878	3.0
71.01258	14.7
71.58686	5.4
74.84895	3.2
78.71738	3.3
85.02844	7.5
89.02314	9.6
96.95889	46.5
98.02365	3.8
101.02323	5.3
113.02360	6.8
119.03405	5.1
119.04919	4.1
125.02303	6.7
135.04425	8.2
139.00275	8.4
149.05894	5.2
151.03899	3.8
161.02361	5.3
161.04442	4.5
162.03029	3.6
163.03937	7.2
175.03893	5.0
178.02698	5.4
191.05540	5.4
193.05017	4.5
203.03377	3.7
358.10645	10.7
373.12967	17.4
387.14938	4.1
403.09900	4.9
418.12808	7.1
433.15042	100.0
434.15283	9.5
646.63208	4.4
690.42377	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	679.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.3
55.88514	0.3
57.03318	1.7
58.00475	1.9
59.01255	35.6
59.45804	0.3
60.01582	0.3
69.03325	2.3
69.95500	1.6
71.01255	34.5
71.04903	0.4
72.01579	0.6
72.99182	3.7
73.02826	5.8
75.00748	1.6
80.96389	0.7
81.03338	1.6
83.01265	3.7
85.02343	0.6
85.02827	7.3
87.00751	9.1
89.02319	29.7
90.02640	0.5
91.03877	0.8
93.03331	0.6
95.01267	2.7
97.02827	6.5
97.36649	0.3
99.00748	2.0
99.04350	0.6
101.02326	29.4
102.02587	0.4
102.92641	0.3
109.02821	1.1
111.00724	0.5
111.04386	1.2
113.02334	14.4
115.03901	0.8
115.91945	0.5
116.92744	0.6
119.03391	9.5
121.02821	0.5
123.00879	0.4
123.04369	0.5
125.02339	12.0
127.03902	0.7
131.03404	1.4
133.04958	1.1
133.87450	0.3
135.04422	0.8
137.02281	0.5
139.03903	1.2
141.01837	0.8
143.03418	5.4
149.04424	0.9
161.04465	5.7
167.03430	1.0
171.02927	0.4
179.03462	0.4
179.03743	0.5
179.05519	6.4
185.04515	0.5
191.05524	0.5
199.06071	0.4
217.07167	1.1
221.06604	2.5
235.08205	12.9
245.06573	0.7
253.09274	3.1
263.07635	1.8
265.87067	0.3
277.09369	0.8
281.24857	100.0
282.25195	7.8
287.07748	3.3
295.26413	0.8
305.08755	3.8
323.09662	2.1
353.14151	0.6
361.11279	0.7
379.12534	1.1
397.13513	72.3
398.13895	4.5
415.14600	30.6
416.14938	1.9
529.53925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98228	5.1
59.01250	97.8
71.01256	53.0
71.58447	4.5
72.99197	6.8
73.02807	31.0
75.00724	7.4
85.02818	25.2
87.00732	6.8
89.02324	58.4
93.03352	6.8
96.95904	30.4
97.02857	5.9
98.54536	6.2
99.00156	9.5
99.00756	100.0
101.02312	15.4
109.02838	15.8
113.02335	27.4
119.03364	7.5
119.04906	15.4
121.02827	14.9
123.04488	5.8
125.02371	13.7
131.03423	13.3
135.04419	33.1
136.04837	5.3
137.02313	8.7
149.02408	9.2
149.04480	43.4
151.03899	9.7
161.04515	10.3
162.03021	5.2
165.05463	12.7
179.03415	7.8
191.05545	65.3
203.05540	23.9
223.06038	7.9
355.15524	8.7
361.62790	6.2
385.26025	7.7
395.18576	13.7
396.18860	18.9
430.27496	5.4
575.24225	6.4
619.36707	9.9
636.32031	7.5
677.15973	5.3
679.23920	11.2
679.36188	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	679.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03329	1.6
58.00458	2.6
59.01253	39.3
60.89545	0.7
69.03317	2.1
71.01256	32.2
71.21517	2.3
72.01629	0.9
72.99181	3.0
73.02812	4.5
75.00711	0.8
81.03343	2.1
83.01236	3.7
85.02824	7.7
85.25227	0.7
87.00759	9.2
89.02322	30.8
94.20061	0.7
94.36298	0.7
95.01268	2.7
97.02830	5.9
99.00756	2.2
99.04459	0.9
101.02324	27.9
109.02838	1.2
111.00742	0.9
111.04432	1.1
113.02338	14.7
115.19320	0.8
119.03397	9.8
119.04910	3.3
121.02797	1.8
125.02341	13.0
131.03369	1.1
135.04416	1.9
143.03400	6.0
149.04431	1.1
161.04451	6.4
167.03523	0.9
179.05536	5.0
191.75761	0.8
214.18124	0.8
221.06580	2.2
235.08195	12.5
245.06482	0.8
253.09267	2.9
263.07645	1.4
281.24860	100.0
282.25119	8.4
287.07663	2.6
305.08792	2.9
323.09641	1.6
355.15414	0.9
397.13507	69.9
398.13852	5.2
415.14590	26.8
416.14835	2.1
483.81613	0.9
600.70709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78127	3.0
53.67159	3.3
57.03326	3.5
57.25787	3.1
59.01257	47.8
68.44429	3.1
71.01255	32.5
71.39092	7.3
72.99200	5.3
73.02807	15.7
83.01273	3.3
85.02833	12.2
87.00764	5.4
89.02333	8.3
93.03334	12.3
95.01277	5.1
96.95869	6.8
98.95493	3.1
99.00758	13.7
101.02341	16.0
106.04149	16.4
107.04966	4.3
111.00726	3.2
113.02344	18.0
119.04913	10.8
123.04385	5.1
124.20677	2.9
125.02327	7.1
135.04439	9.3
149.05991	100.0
149.09593	4.7
161.04460	6.7
171.10150	3.9
172.05249	5.3
175.11229	45.5
176.07234	3.0
177.01750	3.1
191.01889	4.1
191.05569	11.0
209.03026	10.2
210.21394	3.9
259.52557	3.0
259.55231	3.0
281.15421	33.4
350.20050	3.4
355.15619	3.6
443.15582	13.8
485.16608	72.7
486.17145	5.1
505.33762	5.5
575.24707	8.9
617.25745	21.8
618.26489	4.0
619.37067	13.5
637.38037	14.1
654.13641	4.1
661.33209	4.5
679.36871	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	679.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73046	1.1
59.01254	19.2
71.01256	8.8
71.58073	1.8
72.99168	1.4
79.95564	1.2
83.01269	1.4
85.02829	2.6
87.00769	1.4
89.02303	5.3
92.16655	1.1
95.01276	1.6
96.95892	10.4
98.43192	1.1
99.64470	1.0
101.02330	3.9
113.02312	3.6
117.03339	11.8
119.03392	1.8
119.04921	1.6
123.04421	1.1
125.02311	1.9
130.69720	1.0
131.01286	2.3
149.02348	1.1
161.02370	1.7
163.03918	1.4
173.02403	7.1
175.00240	8.8
184.75551	1.0
189.01711	1.0
191.03468	1.1
191.05522	1.4
193.06683	1.5
235.09682	1.6
256.12421	1.3
269.04489	1.5
281.04529	1.2
283.06036	4.3
293.04550	100.0
294.04956	7.2
311.05692	7.3
314.04181	1.2
321.04083	1.4
355.15424	4.9
356.12143	1.1
376.59293	1.0
395.08041	1.6
413.08865	1.5
424.99054	1.0
455.09818	67.8
456.09976	7.3
469.64786	1.2
473.10782	4.3
549.85583	1.2
575.14142	3.9
577.29218	1.4
635.16193	15.2
636.16364	2.0
679.24609	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	679.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18538	0.5
54.19443	0.5
55.56047	0.5
55.98130	0.6
57.46258	0.6
59.01250	7.8
60.14569	0.6
69.53571	4.7
71.01252	5.0
73.02818	6.2
74.02320	1.0
75.00719	0.7
77.49065	0.7
83.01280	1.3
85.02835	1.2
89.02301	1.3
96.95881	4.0
100.22790	0.6
101.02324	2.9
109.41460	0.6
113.02331	1.0
117.03350	10.9
131.01282	1.7
135.04333	0.8
161.02313	1.5
163.03923	1.1
173.02390	5.8
175.00282	9.1
191.05554	0.7
203.08183	0.9
237.05745	0.9
245.09233	1.9
246.09607	0.7
249.05588	0.8
268.03796	0.7
269.04611	1.4
281.04794	0.8
282.05142	0.8
283.06039	2.9
293.04556	100.0
294.04868	8.8
298.86734	0.6
311.05521	5.7
323.05371	1.1
335.05527	1.1
413.08786	60.3
414.09116	7.0
515.11804	2.4
540.54755	0.6
635.16144	18.2
636.15997	3.3
645.94141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35375	0.3
55.76120	0.2
58.02845	0.5
59.01255	0.9
69.54094	2.3
71.01249	0.6
73.02820	0.3
80.04941	0.3
81.03330	6.8
83.04900	19.4
84.05254	0.4
89.59906	0.2
89.77794	0.3
90.50591	0.2
96.95910	1.5
101.02340	0.3
106.85370	0.3
107.06046	0.3
108.04412	0.4
109.63004	0.3
113.02334	0.3
119.73683	0.3
125.02356	0.3
125.07090	1.2
126.05515	0.5
128.70161	0.2
130.11925	0.3
134.02742	0.2
137.02402	0.2
143.08148	0.6
146.53973	0.2
151.03877	0.4
177.01930	0.3
207.14943	1.4
224.17696	3.2
225.16042	13.4
226.16357	0.8
235.21175	0.3
241.03621	0.3
242.18658	1.3
289.07098	0.3
290.22433	0.4
309.21817	1.0
324.26474	0.9
333.22852	1.0
341.29190	1.2
367.27072	1.1
385.28189	0.3
407.33868	0.4
433.31604	1.3
450.34537	1.8
451.32953	6.2
452.33267	0.7
502.52560	0.3
550.43329	0.9
565.43945	0.4
593.43793	1.0
659.48499	1.4
677.49707	100.0
678.50006	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.8
57.03323	2.1
58.00460	3.5
59.01255	40.5
64.61993	0.9
67.27494	1.0
69.03337	2.1
71.01256	32.3
72.99172	3.2
73.02815	6.0
78.95750	1.3
81.03340	1.5
83.01260	5.2
85.02812	8.4
87.00745	7.7
89.02322	32.2
95.01273	2.5
97.02816	5.5
98.19765	2.3
99.00774	2.4
101.02324	28.2
111.04375	1.2
113.02333	15.3
119.03407	9.2
119.04916	4.1
121.02790	1.1
125.02341	13.6
131.03362	1.9
131.32930	1.0
133.04955	1.3
135.04384	1.7
143.03407	4.5
149.04417	1.1
152.99510	1.3
161.04451	6.5
163.03912	2.3
167.03357	1.2
179.05557	5.4
194.12837	1.0
221.06483	1.7
235.08200	12.9
253.09262	3.2
263.07657	1.5
264.36880	1.1
275.06287	1.4
277.21588	3.5
279.23291	100.0
280.23572	7.7
287.07761	2.5
305.08719	3.5
323.09708	1.5
359.21869	2.0
391.19714	1.4
397.13489	73.7
398.13675	5.9
415.14597	30.3
416.14722	1.7
488.79688	1.2
535.27783	2.1
579.28705	1.9
595.29156	3.7
677.33844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03245	0.6
55.01751	2.0
55.46486	0.6
57.03312	1.8
58.00458	2.7
59.01250	53.0
64.24939	0.6
69.03322	2.6
69.30338	5.3
71.01250	41.6
72.01572	0.6
72.99170	3.0
73.02819	6.7
75.00743	1.5
81.03323	1.4
83.01247	4.8
85.02823	8.9
87.00751	8.5
89.02315	36.6
91.03909	0.8
95.01230	3.2
97.02825	6.1
99.00748	1.8
99.04417	0.6
101.02323	29.6
111.00805	1.0
111.04367	1.1
113.02325	13.4
119.03378	9.3
121.02866	0.8
123.00808	0.6
124.01537	0.8
125.02329	12.2
131.03418	1.4
133.04930	1.1
139.03889	1.5
141.01802	1.1
143.03395	5.3
149.04439	1.1
151.03870	0.6
153.14972	0.6
161.03172	0.9
161.04445	7.3
167.03383	0.7
169.44928	0.7
179.05560	5.3
181.04945	0.7
185.04402	0.8
221.06625	2.1
235.08194	10.6
253.09195	2.0
263.07642	1.3
277.09311	1.0
279.23276	100.0
280.23636	8.3
287.07819	3.1
287.10522	0.6
305.08731	2.9
323.09937	1.4
361.11673	0.9
385.02045	0.6
397.13483	60.3
398.14023	4.2
415.14581	26.8
416.15027	1.8
439.04636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43845	0.4
55.01753	1.4
55.52655	0.4
55.53144	0.4
57.03308	1.1
58.00461	2.1
59.01253	43.6
63.56976	0.4
69.03316	1.6
71.01256	31.5
72.01591	0.6
72.99171	2.1
73.02821	6.6
75.00729	0.7
81.03338	1.4
83.01257	3.6
83.04851	0.5
85.02831	7.1
87.00755	9.0
89.02319	30.5
90.02709	0.6
91.03851	0.5
95.01255	1.7
97.02825	5.8
97.43569	0.5
98.20535	1.6
99.00756	2.0
101.02327	26.7
103.03908	0.5
111.04385	0.8
113.02335	14.2
119.03394	9.2
125.02350	11.6
131.03403	1.9
133.04976	1.0
135.96896	0.4
139.03955	0.8
141.01810	0.6
143.03401	5.3
149.02254	0.4
149.04442	1.2
161.04463	5.9
162.04683	0.5
167.03491	0.9
179.05554	5.6
181.05125	0.5
185.04466	0.7
217.07176	1.3
221.06630	3.3
230.13889	0.6
235.08212	12.3
244.39369	0.4
245.06718	1.3
253.09227	2.9
263.07669	1.5
277.09360	0.9
279.23297	100.0
280.23666	7.9
287.07788	2.6
305.08774	4.3
323.09839	1.4
324.09647	0.6
379.12247	1.1
397.13501	68.7
398.13956	5.1
415.14587	28.3
416.14755	1.6
551.73071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
57.15025	0.4
59.01249	4.7
61.98704	0.6
64.77135	0.4
67.01761	1.3
69.03342	0.7
69.24228	4.8
70.14481	0.4
71.01265	2.6
73.02827	0.6
81.03336	0.7
83.04899	0.9
85.02342	0.8
85.02830	10.5
87.00743	2.7
89.02331	0.7
93.03340	7.2
95.01257	0.5
96.95893	7.1
96.96828	0.6
100.06167	0.4
101.02303	0.9
108.02120	0.5
109.02826	2.0
111.04391	1.5
121.02847	0.6
123.04418	0.8
124.01559	1.4
124.56573	0.4
125.02373	1.0
127.03923	2.3
133.02837	0.4
134.03696	0.5
135.04410	10.3
136.04753	0.5
137.02348	1.0
150.03160	1.0
151.03906	3.9
155.37035	0.5
159.04427	0.4
161.02397	0.4
169.12192	0.4
171.02905	0.8
171.10184	3.6
173.04549	2.4
175.88203	0.4
179.03381	1.7
184.05319	0.6
189.09143	0.5
191.05545	100.0
192.05899	3.0
199.07771	0.6
203.10803	0.9
209.11784	4.0
210.12186	0.7
211.13367	0.6
213.14995	0.5
219.30719	0.4
227.12878	1.0
242.89954	0.4
253.09232	0.8
308.09000	1.8
352.08017	1.6
353.08405	0.5
409.23782	0.7
427.24863	1.0
453.22833	2.3
480.90457	0.4
487.14383	0.8
545.21246	0.5
645.29169	16.3
646.29388	3.6
677.33118	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	677.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78212	0.3
59.01256	4.9
69.87722	1.8
93.03336	8.6
97.88833	0.3
106.55694	0.3
113.17535	0.3
119.04921	100.0
120.05258	3.2
121.02883	0.4
123.00779	1.0
149.02281	0.3
175.07520	0.4
189.05495	0.7
190.06306	0.8
191.07080	1.9
195.08389	0.3
201.09163	0.7
203.07094	2.9
206.05769	0.8
217.12296	0.6
218.05795	2.7
219.06587	2.0
221.08188	3.2
231.06537	2.0
232.07414	1.4
233.08173	7.5
242.05862	0.5
247.09650	0.5
255.06674	0.5
267.06635	1.8
279.23367	0.5
310.12088	0.4
323.16522	7.7
324.16861	0.8
338.11621	2.2
353.13943	29.8
354.14331	2.6
677.30536	0.4
701.70050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34309	2.2
59.01250	18.6
69.40739	25.6
71.01250	6.7
76.13206	2.5
78.95780	15.0
80.96399	7.3
85.02843	2.7
86.09020	2.4
87.00739	3.5
88.81690	2.4
89.02354	5.6
92.83559	2.5
95.24973	2.2
96.96862	3.0
101.02320	6.2
119.04942	16.1
123.77885	2.3
125.02309	4.8
152.99487	10.8
225.00575	3.5
241.01216	6.5
245.07944	2.6
255.23277	2.5
279.23260	27.9
289.07254	3.1
310.08508	3.6
321.15109	2.7
323.09241	4.4
325.07217	5.2
325.14389	3.1
326.07587	4.2
338.07886	3.8
339.08783	5.2
340.09338	3.3
351.08737	3.3
353.10349	11.4
354.10986	3.4
368.12515	4.1
377.14008	3.0
379.15765	2.8
381.13235	4.1
393.13019	3.9
395.15036	23.4
396.15549	10.1
397.12918	5.6
397.17191	4.7
407.14841	6.8
408.15732	7.4
409.16422	6.7
410.17264	8.9
411.18237	3.1
412.19006	11.7
415.14429	4.7
420.15591	3.3
422.17230	5.2
423.18140	11.5
424.18826	6.1
425.19565	11.5
527.20813	4.3
529.22394	8.9
542.23004	28.3
543.23828	2.9
544.24677	100.0
545.24976	31.5
557.25287	11.0
579.28601	8.6
595.28943	17.1
677.31305	13.8
678.31512	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	677.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70153	1.1
58.07166	1.1
59.01253	19.9
61.98689	3.0
70.57766	4.1
71.01259	17.6
72.01575	2.5
73.02827	4.6
78.95768	8.1
82.44904	1.3
83.01269	2.3
85.02830	3.5
87.00761	3.5
89.02312	13.1
95.01237	1.6
96.96849	1.5
97.02843	3.8
98.20494	1.1
101.02324	10.7
102.02647	1.8
104.81573	1.2
105.03335	1.8
109.02842	2.2
113.02353	5.6
114.02691	1.9
119.03377	4.2
119.04903	7.1
121.02848	2.2
123.04388	1.3
125.02344	6.2
133.02853	6.8
135.04410	1.9
137.02362	2.0
143.03430	1.6
149.02345	2.2
152.99501	7.8
161.04451	3.5
179.05504	2.5
191.10217	1.3
199.07524	1.8
211.07623	1.3
221.08197	2.2
223.07352	1.4
225.05615	1.6
235.08176	4.9
236.08537	2.4
239.07074	2.7
241.01118	2.7
241.05051	3.3
251.07104	2.9
253.05132	2.4
253.09000	1.4
255.06657	1.9
267.06897	1.8
270.05334	7.3
277.21756	21.8
278.22052	20.3
279.22357	5.0
281.04620	2.7
281.08093	1.5
282.05338	1.7
283.06110	42.4
284.06586	3.5
293.08258	1.7
293.11816	3.6
295.06134	40.6
296.06439	3.3
298.09421	1.3
309.07782	1.4
319.09558	1.3
323.09253	6.0
335.09354	1.9
337.10806	100.0
338.11551	66.6
339.12296	19.1
351.12357	1.7
353.10251	4.4
397.13498	10.1
398.13766	13.7
399.14127	7.3
415.14511	6.1
416.15039	5.8
417.15027	1.3
593.26990	5.1
594.27527	1.9
595.27637	7.1
608.17078	2.4
677.24036	17.4
677.34375	1.6
678.24438	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	676.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90200	4.3
53.68140	5.5
55.33921	4.8
59.01251	7.5
63.23328	4.2
69.47843	34.4
71.01247	7.3
78.00435	5.0
85.02797	6.2
95.04904	10.3
96.95885	42.9
101.02356	4.9
112.63754	5.2
122.06018	81.2
123.03152	17.1
124.03938	12.7
125.02332	5.6
127.10519	4.2
138.05524	43.9
146.06021	11.8
147.06854	6.1
159.01648	4.7
166.75432	4.9
184.06047	6.6
191.05661	5.5
198.07951	4.4
239.08231	6.1
253.09766	7.1
267.11307	17.0
268.12137	6.6
269.12939	99.7
270.13327	10.6
380.16104	9.8
390.18024	15.5
434.17261	16.3
452.18369	23.3
520.46429	5.2
614.23627	18.6
632.24536	100.0
633.25342	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	677.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01257	1.7
71.01251	0.6
71.58100	0.5
73.02835	0.3
75.00745	0.4
78.95785	0.3
79.95616	2.6
85.02821	0.4
89.02287	0.4
89.03780	0.3
96.95893	100.0
97.02793	0.3
97.95823	0.4
101.02336	0.3
109.02827	0.5
113.80834	0.3
113.81686	0.3
119.04916	0.5
122.06021	0.3
123.04428	0.6
125.02357	1.0
131.78423	0.3
133.02853	1.2
135.04404	0.4
137.02365	2.1
143.04655	0.4
146.06036	0.3
149.02338	0.8
151.03935	1.9
152.04672	1.8
176.01109	0.8
177.01859	8.6
179.03464	0.5
179.10675	0.3
191.05554	0.6
193.04976	0.6
195.02904	0.6
196.03732	5.6
211.06050	1.3
223.06084	0.5
243.41710	0.3
289.07129	0.4
306.07785	0.5
346.05887	0.4
403.27020	0.4
453.10355	1.5
471.11664	0.4
515.19366	0.5
556.88104	0.4
597.21918	8.8
597.31195	0.6
598.22272	1.2
620.02539	0.3
677.17261	6.7
678.18225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01587	1.2
66.59711	0.5
71.01266	0.8
71.59101	0.9
80.70055	0.5
99.97269	0.5
101.02369	0.6
116.41813	0.5
144.04059	0.5
154.87160	0.5
221.34767	0.5
246.49982	0.5
277.21802	1.4
307.19168	0.5
344.27216	0.6
397.13705	0.9
697.28278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
57.03304	1.2
58.00457	2.2
59.01253	55.5
60.01603	0.8
68.99697	0.9
69.03326	2.8
69.25513	0.5
71.01257	43.8
71.72469	0.5
72.01573	0.7
72.99194	3.1
73.02823	7.5
75.00739	0.9
80.74127	0.6
81.03326	2.6
83.01257	4.8
85.02829	9.9
86.00014	0.6
87.00749	10.2
87.70660	0.6
89.02322	37.8
90.02651	0.7
93.03342	0.7
95.01276	3.0
97.02258	0.7
97.02834	7.9
99.00747	2.5
99.04432	0.9
101.02325	33.5
102.02692	0.8
106.76499	0.5
109.02840	1.4
111.00748	1.8
111.04406	1.3
113.02336	17.0
115.03907	0.7
119.03388	11.0
121.02876	0.7
124.01521	0.8
125.02335	15.1
125.05931	0.6
126.02596	0.7
131.03406	1.7
133.04958	1.7
139.03915	0.9
141.01842	0.8
143.03416	7.2
149.04468	0.6
161.04480	7.7
162.98351	0.5
167.03308	1.1
179.05548	7.4
185.04460	0.7
185.99512	0.6
187.88612	0.6
199.06105	0.6
203.05641	0.6
217.07129	1.7
221.06560	2.8
229.30051	0.7
235.05809	0.9
235.08199	17.4
245.06583	1.1
253.09286	5.5
263.07681	2.2
277.21725	100.0
278.22000	8.0
287.07681	3.1
305.08728	4.3
323.09869	2.3
351.38983	0.6
361.11353	0.8
379.12604	1.1
397.13504	86.7
398.13882	7.5
415.14563	37.1
416.15125	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	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.6
56.90219	0.5
57.03323	2.0
58.00473	3.4
59.01251	76.9
60.01580	0.7
60.56792	0.5
65.41172	0.5
69.03318	3.7
70.62393	1.2
70.62760	1.2
71.01253	52.2
72.99168	3.6
73.02819	8.5
75.00761	0.6
81.03341	2.0
83.01262	4.7
83.04921	1.1
85.02827	11.9
85.99968	0.8
87.00746	12.2
87.04398	0.8
89.02317	39.1
91.03856	0.8
93.03326	0.9
95.01257	4.0
97.02835	8.1
99.00748	3.5
99.04382	0.7
101.02324	38.5
103.03927	0.7
109.02869	0.6
111.00794	0.6
111.04401	1.8
113.02333	18.8
119.03384	9.7
121.02859	0.9
124.01587	0.9
125.02337	15.5
127.03908	0.8
131.03355	1.1
133.04951	1.2
139.03883	2.0
141.01775	0.7
143.03400	7.4
143.04443	1.0
149.04494	1.4
161.04459	7.9
167.03441	0.6
169.04999	0.7
179.05515	6.3
188.69659	0.6
191.26903	0.6
217.07120	1.3
219.05092	0.6
221.06645	3.6
235.08214	11.5
236.08391	0.7
245.06694	0.7
253.09239	4.0
263.07727	1.4
277.21713	100.0
278.22089	6.1
287.07721	3.2
305.08838	3.6
323.09735	1.9
348.92865	0.6
361.11316	0.9
379.12384	1.5
397.13486	56.3
398.13736	4.1
415.14557	26.0
416.14865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71218	0.4
57.03330	2.8
59.01260	2.7
61.39035	0.5
65.31610	0.4
66.64911	0.4
69.00102	0.5
69.96077	2.3
71.01250	1.3
78.29350	0.5
80.02569	0.7
81.03342	2.8
83.01260	2.8
84.67725	0.4
85.02834	0.9
89.02334	1.1
93.03352	1.7
95.01285	1.1
95.04923	3.3
96.95898	2.7
97.02826	6.3
98.20528	0.8
101.02320	0.7
102.88813	0.4
108.02036	1.1
109.02838	25.0
110.03210	0.9
113.02361	0.7
113.39615	0.4
119.03387	0.7
121.02836	3.9
122.03627	1.0
123.04418	17.5
125.02351	14.7
133.02895	0.6
135.04413	1.7
137.02344	10.3
138.03043	0.7
139.03926	4.1
145.02875	1.3
146.03636	0.9
147.04424	0.5
149.02357	4.2
150.03133	4.2
151.03943	8.5
159.04457	2.9
160.05202	1.5
161.02338	1.3
161.05998	5.0
162.03122	1.5
163.03905	1.4
164.01085	2.9
164.04762	0.6
165.01854	4.6
166.02538	0.6
167.03418	1.5
167.99300	0.4
173.05992	1.0
174.06612	0.5
175.03889	2.0
175.07594	1.9
177.05525	0.7
179.03418	5.5
179.05072	0.5
179.05605	0.6
187.03944	4.3
188.04758	3.4
199.07552	0.8
201.05409	1.1
202.06274	1.4
203.03447	0.5
203.07088	12.7
205.04997	7.6
206.05382	0.8
208.03754	0.8
212.04739	1.0
221.08182	3.0
223.06038	2.1
227.07051	2.3
245.08159	17.5
246.08481	1.6
247.06073	0.6
271.06204	1.0
289.07190	100.0
290.07535	7.7
352.02225	0.5
385.11288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19937	0.4
52.00793	0.5
59.01254	5.4
62.48871	0.4
68.53175	0.5
71.01256	4.4
71.45672	0.5
71.46011	1.0
73.02814	1.7
74.23212	0.4
85.02825	1.3
89.02333	0.7
93.03345	2.4
99.00764	3.9
100.14155	0.5
101.02320	1.9
108.02058	2.4
113.02317	3.6
119.04916	62.3
120.05247	2.9
121.02824	4.6
125.02351	1.1
137.02351	0.7
143.03424	0.5
149.02377	1.3
150.03113	2.7
161.04558	0.6
161.05989	1.9
174.38052	0.5
175.07562	0.6
176.08340	6.0
177.08734	0.5
179.07033	4.1
203.07118	0.8
204.07861	21.5
205.08565	4.1
208.07399	1.5
209.11801	0.8
213.09181	0.8
217.08623	1.6
218.09317	1.2
219.10214	100.0
220.10544	7.0
230.07310	0.5
230.09468	1.7
233.11871	1.1
245.11824	3.2
307.13394	1.5
324.13535	0.9
339.15997	34.3
340.16382	3.2
381.30042	0.6
395.13171	1.0
413.14490	6.8
414.14682	0.6
455.15576	18.3
456.15634	2.4
514.96252	0.5
543.22461	0.5
564.19232	0.5
615.24475	3.7
616.24268	0.7
633.17401	0.3
633.25537	11.4
634.26337	2.1
675.26599	11.7
676.27100	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	675.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50011	1.5
57.03318	8.3
59.01239	3.2
60.89639	1.5
61.98679	2.6
62.86327	1.5
65.03850	1.5
67.01773	2.6
69.32732	12.9
70.73862	1.4
71.01263	1.9
73.91035	1.6
75.00784	2.2
80.54720	1.6
83.01259	5.8
85.02808	1.8
88.72909	1.6
93.03335	3.6
95.04891	2.6
96.95896	5.3
97.02844	3.3
107.04898	2.9
108.02075	2.2
109.02830	21.2
116.92731	4.3
121.02821	3.5
123.04426	15.0
123.05245	2.4
125.02335	100.0
126.02679	4.1
133.02795	3.5
135.04404	5.0
135.08044	2.5
136.01483	2.2
137.02342	29.1
138.03093	2.5
139.03940	3.3
145.02808	1.4
149.02362	7.6
150.03137	2.0
151.03915	26.9
159.04399	3.3
161.02359	22.3
161.05994	3.0
162.03020	2.3
163.00253	2.0
163.03934	7.0
164.01088	2.7
165.01836	5.2
174.03096	2.0
175.03925	16.5
177.01837	10.7
177.05429	1.7
179.03430	5.5
179.07042	15.9
185.05981	2.4
187.03885	13.7
189.01830	4.3
189.05472	3.6
191.07118	4.2
193.04918	3.1
201.05525	2.8
203.03503	2.6
203.07120	9.2
205.05006	7.9
205.08624	1.8
211.03931	2.0
213.05519	1.7
215.03468	3.1
217.05072	2.5
219.06596	5.2
221.08173	2.3
223.09712	26.2
229.04987	7.4
229.08730	4.6
231.06590	3.9
245.04424	2.4
245.08199	10.7
249.11203	3.1
255.03055	8.2
255.06726	2.4
256.03723	4.7
257.04498	2.7
262.08475	1.5
265.08649	1.8
269.04529	1.8
273.04028	2.9
273.11542	1.6
275.09018	2.1
281.04510	5.5
283.02570	1.8
283.09656	1.8
285.03986	2.5
285.11319	2.4
287.05643	4.1
289.07166	49.1
290.07544	3.0
295.06125	2.2
297.07785	2.6
299.05551	7.2
299.08951	2.4
306.07965	2.0
309.07648	2.5
339.08768	11.3
341.06586	3.0
343.11816	3.3
353.10205	3.8
355.34683	1.5
371.11392	15.1
381.09866	2.1
385.12885	27.4
389.07303	1.8
407.07745	29.1
408.08188	2.6
425.08817	3.7
451.10413	12.8
452.10349	2.2
461.12332	6.1
505.15048	42.7
506.15417	6.6
523.16071	69.3
524.16339	10.3
675.20532	11.1
676.20618	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	675.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	13.1
59.01242	3.2
69.52960	8.4
69.53359	2.4
71.01271	1.6
81.03346	2.8
83.01260	5.6
84.43831	1.3
85.02832	2.2
89.02332	1.6
93.03349	3.0
95.04897	2.4
96.95897	5.6
97.02824	3.4
107.04834	1.4
108.02086	1.6
109.02836	15.4
113.02332	2.4
121.02842	2.9
122.03632	2.6
123.04431	12.6
125.02338	100.0
126.02649	3.2
133.02859	2.9
135.04378	2.6
135.08040	4.8
137.02327	18.7
137.05899	1.4
137.82867	1.6
139.03934	2.8
149.02361	5.4
151.03928	11.7
151.07571	1.3
157.17058	1.2
159.04451	3.0
161.02348	23.8
161.05975	3.5
162.03032	2.3
162.06409	1.4
163.03961	2.6
164.01060	4.6
165.01860	6.1
167.03374	2.1
175.03923	7.6
175.07518	1.9
176.01080	1.4
177.01848	3.6
178.02390	1.7
179.03439	3.0
179.07063	19.6
185.06081	2.1
187.03952	6.8
188.04752	2.1
191.05499	2.1
191.07124	3.8
203.03369	3.0
203.07059	10.4
205.01253	1.8
205.05022	6.9
217.05017	2.2
219.06543	5.4
223.09724	30.1
224.10025	4.2
227.07066	1.7
229.05167	2.1
229.08601	1.8
230.05667	1.5
230.15671	1.6
231.02817	1.8
245.04489	2.8
245.08127	11.5
247.06131	2.1
255.02950	2.7
262.08530	1.9
273.11377	1.8
281.04611	2.1
285.04028	1.8
287.05719	4.7
289.07190	69.2
290.07516	4.2
299.05597	3.9
328.05716	1.7
339.08667	1.9
343.11914	2.8
371.11411	7.1
385.12967	24.8
407.07574	11.3
425.08978	1.9
451.10254	12.1
452.10834	1.9
505.15024	19.5
506.15634	3.1
523.16077	22.0
524.16644	3.8
547.48285	1.6
577.13623	1.8
628.01831	1.7
675.20551	10.1
676.20721	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	675.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79925	1.4
57.03326	11.9
63.59346	1.7
70.27674	1.4
71.44919	2.4
81.03322	1.7
83.01263	6.6
93.03357	4.0
95.04918	3.0
96.95892	21.1
97.02844	5.2
107.04942	3.1
108.02067	2.1
109.02832	20.9
120.48595	1.4
121.02852	3.9
123.04399	16.6
125.02338	100.0
126.02670	3.6
133.02867	3.5
135.04442	1.8
137.02361	24.2
137.03342	2.6
138.00517	1.5
139.03883	2.5
149.02339	5.7
150.03154	1.6
151.03918	21.9
159.04399	2.6
161.02341	21.3
161.05988	6.1
162.03122	4.0
163.00310	1.9
163.03891	5.4
164.01057	5.7
165.01846	6.3
173.05962	1.8
174.03099	1.8
175.03931	12.1
175.07539	1.5
177.01869	6.8
177.05592	1.8
179.03456	4.1
179.07056	18.1
187.03935	11.3
188.04668	2.8
189.01875	3.9
189.05521	1.8
191.03474	2.3
191.06966	1.9
193.04932	2.1
198.03299	1.6
200.04646	1.8
201.05399	2.2
203.03473	2.2
203.07022	8.8
205.01450	2.7
205.04955	7.6
205.08664	2.7
211.03865	1.4
213.05608	1.8
215.03453	2.0
217.04956	3.7
217.08592	2.1
219.06627	7.0
223.09683	34.5
224.10074	2.4
227.07184	1.9
229.04984	5.5
229.08647	3.4
231.06596	2.5
243.02963	2.4
245.08186	12.6
253.05081	1.7
255.02931	5.1
256.03598	3.2
257.04691	2.2
269.04456	2.0
272.19739	1.5
273.04282	1.6
273.07727	1.4
273.11346	1.8
281.04517	4.6
283.02591	1.6
287.05499	7.3
289.07190	67.3
290.07480	5.8
295.09567	1.8
297.07748	2.1
299.05695	7.2
309.07724	2.5
339.08597	5.9
341.06625	5.3
341.10294	2.0
343.12146	2.5
371.11383	13.1
385.12924	29.6
386.13290	2.2
407.07648	24.6
429.46097	1.5
451.10358	14.4
452.10635	2.4
461.12280	6.1
505.15030	43.4
506.15442	4.9
523.16046	72.7
524.16614	11.2
675.20837	20.0
676.21118	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	675.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91802	0.7
54.16831	0.6
57.03327	11.4
59.01247	3.5
60.54689	0.6
65.03844	0.8
69.03316	1.0
69.39198	0.7
71.01253	2.6
71.59287	1.1
71.74526	0.6
81.03339	2.1
83.01250	5.1
85.02809	1.3
89.02342	0.8
91.31825	0.7
93.03337	1.9
95.04913	2.4
96.95889	3.4
97.02845	4.3
99.04343	0.7
101.02329	0.7
107.04910	1.1
108.02034	1.0
109.02841	18.4
113.02298	0.9
117.03288	1.0
119.04932	1.4
121.02852	4.9
122.03623	1.2
123.04403	10.3
125.02340	100.0
126.02677	2.9
133.02861	3.0
135.04460	3.3
135.08066	3.5
137.02354	15.2
137.05956	1.0
139.03894	3.0
145.02774	1.2
146.03673	1.0
147.04471	1.0
149.02341	6.2
150.03073	1.5
151.03918	9.2
152.00987	0.7
153.09010	0.9
159.04413	2.2
161.02350	21.2
161.05914	3.7
162.03073	2.4
163.00308	2.0
163.03897	3.7
164.01074	4.2
165.01881	6.2
165.05495	1.4
167.03445	1.6
173.05952	0.9
174.03081	1.1
175.03954	7.2
175.07570	1.2
177.01889	3.9
177.05478	1.1
178.02644	1.1
179.03468	5.1
179.05496	0.9
179.07050	16.3
185.05991	0.8
187.03894	5.2
187.05307	0.7
188.04713	2.5
189.01930	0.9
189.05424	1.0
191.03474	0.9
191.05539	0.8
191.07086	2.8
193.04984	0.9
201.05528	1.2
202.06267	1.7
203.03461	2.4
203.07033	8.5
204.07480	0.7
205.01396	1.5
205.05003	7.8
211.03906	0.8
213.05473	1.1
215.03378	0.8
217.08481	0.7
219.06570	7.7
221.08112	1.4
223.09702	25.7
227.07047	1.3
228.04254	1.0
229.05087	2.4
229.08720	1.3
230.05861	1.0
231.02974	1.3
231.06633	1.4
243.03006	0.9
244.03874	0.9
245.04561	3.0
245.08186	12.6
245.72157	0.7
245.91824	0.9
246.08640	0.9
253.04825	1.0
255.02939	2.0
255.06737	0.7
256.03735	1.1
257.04517	1.0
261.07672	0.8
262.08444	2.8
263.09430	1.7
269.04730	1.4
271.06146	2.0
280.94540	0.8
281.04620	2.6
285.04135	0.9
287.05478	4.7
289.07190	52.9
290.07538	4.3
295.10172	0.8
297.07761	1.1
299.05753	3.5
299.08832	0.9
310.08493	1.0
329.06628	0.8
339.08774	2.5
339.12405	1.0
341.06592	1.3
341.10431	1.3
343.11954	2.7
353.10489	0.9
371.11438	3.8
375.27570	4.2
385.12936	15.4
386.13272	1.9
387.14471	1.2
407.07678	9.1
408.08212	1.2
451.10394	10.1
452.10547	1.1
461.12183	2.3
505.15015	17.2
505.21838	1.2
506.15356	2.8
523.16125	19.4
524.16370	2.7
559.12451	1.3
675.20929	8.2
675.36676	1.6
676.21899	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	675.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68382	1.0
57.03334	12.6
59.01246	8.9
71.01253	6.1
71.58123	1.6
72.99232	1.0
73.02837	2.8
79.26315	1.0
81.03345	2.7
83.01272	4.3
85.02856	2.7
87.00827	1.0
89.02328	2.1
89.51961	1.2
93.03360	2.7
95.01251	1.6
95.04918	3.2
96.95900	4.3
97.02851	3.3
99.00768	1.5
101.02348	3.7
107.04881	1.6
108.02077	1.8
109.02843	14.8
111.72831	1.1
113.02309	2.1
119.04939	4.3
121.02856	2.4
123.00765	1.7
123.04427	11.8
125.02348	100.0
126.02696	3.2
133.02879	4.8
135.04443	3.7
135.08075	3.5
136.05211	9.0
137.02345	20.3
137.05615	3.9
139.03944	3.0
147.04436	1.6
149.02351	4.5
149.05965	2.4
150.03151	2.4
151.03917	10.4
159.04460	2.0
161.02357	26.8
161.04509	1.2
161.06007	4.4
162.02995	2.2
163.00299	1.8
163.03941	2.4
164.01108	3.8
165.01901	5.6
165.05443	1.8
165.09161	6.8
166.09448	2.6
167.03516	1.5
175.03970	5.2
175.07558	1.5
177.01878	3.3
179.03424	3.5
179.07076	6.9
187.04004	3.3
188.04700	3.0
189.02016	1.4
189.09303	1.7
191.05534	3.1
191.07132	4.4
193.05042	1.2
203.03481	2.0
203.07130	6.6
205.01418	1.6
205.05013	6.3
209.11798	4.4
210.12114	1.4
213.05539	1.4
215.03499	1.6
217.04976	1.8
219.06519	3.2
221.08189	1.5
223.09734	9.4
229.14510	1.6
233.08092	1.4
235.09821	2.7
245.04546	3.8
245.08192	9.4
247.06049	1.2
247.09740	1.8
255.03093	2.3
256.03894	1.7
271.06201	1.4
281.04648	2.4
285.11844	1.1
287.05670	6.9
289.07208	42.8
290.07614	3.2
295.06174	1.3
299.05591	1.8
303.08734	1.3
309.11295	3.2
309.14841	1.5
339.08667	2.3
343.11734	5.6
346.23242	1.7
371.11292	3.9
385.12851	7.3
387.14474	21.4
388.14771	2.0
397.13071	6.3
407.07587	8.7
408.08426	1.5
408.35263	1.3
451.10141	6.9
461.12372	3.4
466.32712	2.1
467.32990	1.4
505.15121	28.8
506.15433	4.4
512.33008	6.2
513.33508	1.8
523.16040	10.1
524.16382	2.5
549.17761	6.6
550.17993	1.6
555.33551	1.3
674.38324	17.0
675.21008	9.1
675.38745	20.6
676.21454	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.381
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
57.03323	2.5
59.01252	8.8
71.01252	4.2
73.02809	2.6
83.98957	0.7
85.02826	3.1
87.00731	1.9
89.02295	0.8
93.03371	1.1
95.04924	1.3
96.95867	2.9
98.20553	1.8
98.95467	0.9
99.00752	1.2
101.02298	1.9
107.04915	1.0
109.02883	3.8
111.04397	1.1
113.02333	1.1
114.64513	0.8
121.02853	1.4
121.06487	1.4
122.03577	1.4
123.04413	2.9
123.08071	1.1
125.02313	6.6
134.03677	1.3
135.04410	3.8
135.08037	1.0
136.05202	43.3
137.02354	4.7
137.05803	1.6
139.34399	0.7
147.08060	1.0
148.05161	0.9
149.05991	7.3
150.03178	1.1
150.06758	7.1
151.03889	2.0
151.07597	1.1
161.02307	2.0
162.06828	2.0
163.07545	3.8
163.11314	0.8
164.01076	1.3
164.08344	4.6
165.01866	1.6
165.05472	1.2
165.09122	36.7
166.09512	1.1
174.03207	0.8
175.03842	0.8
179.07066	1.9
179.10661	1.5
203.07098	1.0
205.01381	1.1
207.10197	1.3
209.11778	12.5
210.12231	0.8
227.12823	2.6
229.23561	0.9
245.08151	1.2
253.09192	1.2
257.12982	3.4
289.07193	7.5
301.11957	2.4
345.22766	8.2
346.22977	0.9
447.31287	1.8
450.29605	1.4
464.31165	1.2
465.32211	11.7
466.32663	1.4
472.26102	0.8
493.31696	3.1
510.31778	2.3
511.32513	27.2
512.32880	4.1
673.37970	100.0
674.38367	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	673.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77248	0.7
55.01766	0.7
57.03318	2.1
59.01249	13.2
61.98701	1.1
68.25987	0.6
69.03323	0.7
71.01256	10.6
71.59292	1.1
72.01575	0.7
72.99184	1.1
73.02814	5.7
79.07478	0.6
80.02548	1.3
81.03374	0.7
83.01263	3.1
83.04911	1.4
85.02831	2.6
87.00745	1.4
89.02309	3.5
89.75555	0.6
93.03308	0.8
94.02864	13.8
95.01286	1.2
95.03199	2.8
96.95924	1.2
97.02817	1.3
97.06467	0.7
99.00765	7.4
100.01109	1.3
101.02322	5.8
108.02048	15.2
109.02312	1.9
109.02893	1.9
111.08028	3.6
111.96690	0.5
113.02325	8.7
114.02641	1.8
121.95274	0.6
123.04396	1.8
123.08018	0.8
124.00298	0.7
125.02375	1.7
125.09603	7.0
127.07569	0.8
127.11171	2.4
130.04115	0.9
131.03412	1.2
133.06502	2.0
135.08041	1.0
137.05981	0.9
137.09659	3.6
139.11122	0.8
141.09113	3.2
142.54257	0.6
143.03427	1.1
151.11189	2.0
153.09114	2.0
155.10689	1.7
156.05681	0.9
157.06076	0.9
161.04453	1.0
162.04794	0.6
163.11258	1.0
164.08342	1.3
165.09079	2.1
165.12798	1.5
167.10696	1.4
169.12350	0.9
171.04376	1.7
171.10217	5.7
172.05159	1.3
179.06873	1.0
181.08418	1.5
183.04428	4.8
183.10049	1.7
183.13852	1.4
184.04823	3.1
185.11749	1.2
191.05539	1.8
193.08388	6.0
195.10223	1.4
199.03983	1.5
199.09776	0.9
199.13353	3.8
200.04727	54.9
201.05067	29.1
201.11255	19.1
202.05252	1.6
205.08235	0.6
207.10127	3.7
209.07928	4.1
209.11765	21.9
210.12044	1.8
211.13364	4.6
212.62128	0.6
213.11293	12.9
221.11601	0.8
223.09477	29.9
224.09798	1.3
225.11253	2.3
227.09102	0.7
227.12842	6.9
231.09988	1.4
235.09554	13.4
241.08810	7.5
242.09088	5.6
245.19110	0.9
247.13425	0.7
248.10393	1.1
249.11133	1.4
253.09309	2.8
253.14516	0.7
260.10309	8.7
277.09485	1.0
278.11349	17.0
279.11642	1.1
287.16351	1.0
289.18103	5.3
307.19153	11.1
311.16287	2.9
325.20197	40.1
326.20563	3.6
329.17322	30.5
330.17676	2.4
336.12405	66.5
337.12747	100.0
338.12949	8.3
343.57059	0.7
347.18240	16.2
348.18280	1.3
404.24194	0.9
536.18884	0.9
630.21521	1.1
631.22205	14.7
632.22675	2.1
637.32385	1.2
655.34094	0.9
673.23584	8.8
673.35168	2.0
674.23395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
58.00462	2.9
59.01255	14.0
61.65274	1.3
61.98709	4.3
71.01253	46.5
71.04900	1.4
71.08242	3.2
73.02826	4.9
76.31875	1.2
80.02547	1.3
83.01257	2.2
83.04904	7.1
85.02824	4.7
87.00758	3.7
89.02314	8.8
95.01277	1.4
95.04934	2.1
97.02841	3.9
97.06468	1.7
99.00774	3.9
101.02317	11.5
109.06485	8.4
113.02343	6.3
119.03381	1.7
125.02324	1.9
125.09626	3.1
143.03442	1.5
145.04941	1.7
153.12784	1.7
156.27353	1.3
161.04449	4.1
161.09698	1.6
163.11197	10.6
165.12766	5.9
171.10178	16.4
181.12274	5.6
183.13852	15.1
185.11757	3.5
193.12288	1.7
197.84976	1.4
199.09669	3.4
199.13335	24.7
201.11292	13.6
207.10197	26.0
208.10414	1.3
209.11778	100.0
210.12201	6.8
211.13347	97.0
212.13655	5.0
215.12726	2.7
225.11267	25.6
226.11623	1.6
227.12831	80.5
228.13228	4.7
229.14465	3.0
235.08150	6.1
235.13306	1.8
243.12326	3.2
247.13405	4.2
253.09279	15.4
258.12689	1.5
265.14410	2.6
339.23303	2.2
357.24380	1.9
367.30359	1.4
373.23843	2.1
383.21985	1.4
391.24783	1.9
397.13242	1.7
401.23108	7.2
403.75351	1.3
415.14764	1.7
419.24399	4.5
445.20679	1.9
447.22110	1.8
461.20151	5.8
463.21930	9.9
466.93250	1.3
501.23108	1.6
637.32068	6.9
655.33356	11.0
656.33295	2.9
673.34296	17.0
674.34705	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36580	1.2
58.00471	3.0
59.01260	14.7
69.03336	1.7
70.57781	5.8
71.01256	43.9
73.02824	3.6
75.00749	1.8
77.97620	1.4
80.02573	1.7
81.03329	2.1
83.04916	5.3
84.02022	1.8
85.02827	3.9
87.00748	4.5
89.02343	6.0
93.03335	1.6
95.04922	2.2
97.02857	3.2
97.06447	1.8
99.00774	3.9
101.02327	8.9
103.50134	1.6
109.06496	6.5
113.02326	4.8
125.09605	2.2
135.08041	2.0
145.05029	2.3
155.10617	2.3
161.04460	3.9
163.11214	9.3
165.12791	4.0
171.10213	9.4
181.12233	6.7
183.13832	9.7
185.11749	4.0
193.12289	2.6
199.13339	31.7
201.11211	8.2
207.10229	22.9
209.11777	69.2
210.12173	5.2
211.13339	100.0
212.13759	6.7
225.11270	19.8
227.12848	82.3
228.13249	6.2
229.14368	2.2
235.08167	5.9
235.13480	2.2
243.12376	2.5
247.13356	2.5
253.09276	16.7
265.14407	2.1
339.23239	1.6
375.25211	1.8
383.22134	2.2
401.23059	7.4
419.24344	6.3
437.25311	1.9
461.20306	3.6
463.21826	12.3
637.32477	5.0
655.33380	9.4
656.33832	2.9
673.34338	17.1
674.34393	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
58.00463	0.2
59.01250	2.7
63.37447	0.2
69.03330	0.3
70.54798	0.5
70.55166	0.5
71.01259	1.8
72.99174	0.3
73.02822	0.5
80.02551	1.0
81.03325	1.3
83.01237	0.4
83.04895	5.0
84.02034	0.8
85.02803	0.5
87.00759	0.4
89.02341	1.4
95.04919	0.6
97.02824	0.3
97.06470	0.3
101.02318	2.0
109.06473	0.4
113.02316	1.0
119.03374	0.4
125.02393	0.3
125.05970	0.4
125.09587	0.3
135.08101	0.6
147.11690	0.2
149.09601	0.4
161.04434	0.4
163.11223	3.7
165.12773	1.9
171.10219	2.5
177.12645	0.3
181.12245	0.5
191.10777	1.1
199.13370	0.5
209.11774	100.0
210.12117	6.9
211.13326	0.3
218.48616	0.2
221.08286	0.3
221.11731	0.3
223.13231	0.3
225.11240	0.3
226.07367	0.2
227.12852	13.8
228.13127	1.0
235.08176	1.0
247.13345	1.6
253.09268	5.8
254.09378	0.3
265.14291	0.3
401.22958	0.3
419.24017	0.5
445.20944	0.6
611.30634	0.5
619.30664	0.3
625.59729	0.3
637.32562	0.8
655.32727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	2.9
59.01247	12.9
61.23887	1.3
61.98700	2.9
69.68464	4.7
69.68894	5.7
71.01254	47.5
71.04845	1.4
71.75825	1.4
72.01588	1.3
73.02827	4.7
73.80831	1.4
78.53675	1.3
81.03332	1.8
82.46617	1.3
83.01251	1.5
83.04904	6.8
85.02813	3.9
87.00752	4.3
89.02303	8.6
91.03876	1.3
95.04904	2.1
97.02822	3.2
97.06514	1.4
99.00742	4.9
101.02325	12.0
109.06461	7.8
110.03617	1.8
113.02335	6.6
113.05959	1.4
119.03439	2.0
125.09605	5.3
135.08054	3.7
145.05006	2.2
152.99495	1.6
155.14436	1.3
161.04463	2.7
163.11195	9.7
165.12706	3.7
171.10173	14.5
181.12311	7.3
183.13818	13.1
185.11749	2.9
191.10753	1.7
193.12270	1.7
199.13335	32.4
200.13676	1.6
201.11295	12.0
207.10213	27.1
208.10545	1.8
209.11781	85.7
209.79393	1.4
210.12102	5.2
211.13342	100.0
212.13670	5.2
215.12801	2.7
218.77904	1.4
225.11281	25.8
227.12852	85.9
228.13200	6.0
229.14351	2.9
235.08215	8.6
235.13350	4.9
243.12306	2.3
245.13893	1.8
247.13361	2.7
249.14893	1.4
253.09267	19.0
265.14499	2.5
383.22131	1.6
401.23199	4.4
419.24356	5.1
437.25354	2.9
449.79446	1.4
461.20117	5.3
463.21857	13.6
464.22223	2.3
485.54208	1.6
637.32300	6.5
638.32910	2.3
655.33228	10.9
673.34320	21.7
674.34583	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	672.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	0.3
59.01250	7.5
69.46344	0.8
69.46773	1.4
71.01253	4.5
72.99157	0.4
73.02818	3.4
75.08244	0.2
80.02539	0.6
81.03308	0.3
83.01257	1.1
83.04904	0.4
85.02840	1.5
85.86720	0.2
87.00742	0.4
89.02317	2.0
92.02621	0.3
93.03339	0.8
94.02873	2.5
95.01259	0.9
98.19797	0.3
99.00758	5.6
101.02334	3.7
108.02048	8.4
109.02895	0.4
109.06504	0.4
113.02328	5.7
114.02579	0.3
125.02317	1.1
130.04132	0.8
131.03398	0.8
133.02850	0.7
143.03331	0.6
143.04951	0.5
150.22845	0.2
156.05682	0.7
158.03581	0.3
159.08098	0.5
161.04483	1.0
163.11211	0.7
171.04416	0.9
171.10178	0.5
172.05209	0.8
177.09079	0.3
181.12325	0.3
183.04410	5.0
191.05571	1.8
199.03969	1.3
199.13246	0.5
200.04724	64.6
201.05096	3.5
203.05449	0.4
203.07118	0.5
207.10182	1.5
208.10588	0.6
209.11765	10.6
210.12080	1.1
211.13414	0.3
221.08116	0.6
225.11255	2.0
226.11581	0.8
227.12866	1.8
228.13284	0.2
241.08661	1.0
253.09216	0.4
275.07700	0.7
293.08807	0.8
335.09564	0.2
336.12402	100.0
337.13120	8.6
449.68066	0.2
455.54196	0.3
461.20264	0.6
462.20645	0.3
463.21680	0.3
496.97665	0.3
539.17737	1.0
612.20862	0.3
630.21893	11.0
631.22327	2.2
654.32080	0.7
672.23041	5.6
672.33307	0.5
673.22144	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	672.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.4
61.98682	0.2
63.80000	0.1
69.03329	0.2
71.01255	3.7
71.58489	0.3
72.99176	0.4
73.02816	1.6
75.00762	0.2
81.02076	0.2
81.03338	0.2
83.01240	0.4
83.04915	0.3
85.02818	1.2
87.00745	0.2
89.02318	1.5
93.03297	0.4
95.01264	0.2
96.95874	0.2
97.02830	0.4
99.00751	3.4
101.02323	2.1
108.02050	55.4
109.01577	2.5
109.02383	1.8
109.06461	0.5
110.02378	1.1
113.02328	3.3
118.98345	0.2
125.02370	0.8
131.03416	0.4
137.02444	0.2
143.03377	0.4
143.86772	0.2
149.02356	0.3
149.06055	0.2
150.05519	3.1
151.03926	0.3
157.06491	2.3
161.02206	0.2
161.04489	0.5
163.11206	0.4
169.12227	0.2
171.04410	0.2
171.10205	0.4
181.12216	0.3
183.13762	0.8
184.05194	1.1
185.05998	100.0
186.04668	0.3
186.06332	5.4
191.05542	1.2
199.13336	0.6
200.04724	0.7
201.11302	0.2
203.72220	0.2
207.10226	0.9
208.10399	0.2
209.11765	4.0
210.12102	0.6
211.13385	1.0
223.13379	0.3
224.13730	0.2
225.11275	1.3
226.11604	0.5
227.12843	1.1
229.14291	0.3
235.08037	0.2
249.14998	0.2
253.09192	0.5
259.73138	0.2
275.07687	0.3
278.06302	0.2
293.08685	0.5
336.12390	16.1
337.12741	1.6
444.14896	0.4
462.21011	0.2
486.16376	0.5
549.13989	0.2
629.31696	0.6
630.21893	5.1
631.22235	0.7
636.03760	0.2
654.32007	0.4
655.33124	0.3
672.23035	2.6
672.33502	0.7
673.23340	0.3
673.34326	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	672.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44074	0.1
54.06170	0.2
55.01757	0.3
56.69931	0.1
57.03329	0.2
58.00469	0.2
59.00946	0.3
59.01251	6.8
69.03311	0.2
69.65608	1.1
71.01254	4.9
72.99188	0.3
73.02824	3.6
80.02528	0.4
83.01263	0.9
85.02837	1.4
87.00774	0.2
89.02318	1.7
91.01775	0.4
93.03345	0.5
94.02863	10.3
95.01283	1.0
95.03149	0.2
97.02850	0.5
99.00761	6.3
100.01053	0.2
101.02325	2.8
108.02051	11.0
109.02958	0.8
113.02340	5.6
120.02127	0.3
125.02353	0.9
125.09599	0.2
130.04147	1.2
131.03394	0.8
133.06502	1.3
143.03412	0.6
143.04916	0.4
149.04422	0.2
154.94978	0.2
156.05682	0.9
158.03658	0.2
161.04443	0.8
171.04425	0.8
172.05232	1.2
183.04440	4.4
184.04857	0.2
191.05507	1.4
199.03967	1.4
200.04726	52.6
201.05080	3.0
201.11215	0.3
203.05475	0.3
207.10178	0.2
209.11734	0.8
211.13475	0.3
213.11118	0.2
223.09497	0.4
227.12874	0.2
235.09636	0.2
241.08670	6.1
242.09138	0.4
275.07770	0.5
278.11374	0.2
293.08701	0.7
307.18997	0.3
325.20184	0.6
329.17319	0.6
336.12405	100.0
337.12726	10.8
347.18372	0.2
383.72272	0.2
535.18243	0.4
550.13507	0.2
577.19257	0.3
612.21039	0.4
630.21924	9.5
631.22266	1.5
672.23071	5.2
673.23749	0.9
673.32996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76202	0.5
56.47970	0.6
57.03328	1.0
59.01253	3.7
63.35510	0.5
66.02050	0.6
69.03287	0.6
69.24720	6.0
71.01261	1.9
73.02808	1.0
78.12459	0.4
81.03329	0.5
83.04887	0.7
85.02821	1.2
87.00761	1.0
89.02328	0.9
93.03324	0.8
95.04901	0.7
96.95882	1.3
97.02843	0.5
97.06461	0.6
99.00808	0.5
99.04404	0.8
101.02316	1.1
107.04915	0.7
108.02045	1.1
109.02840	1.4
109.06456	0.5
111.04393	0.9
111.08037	1.2
113.02352	1.0
118.14486	0.5
121.06471	1.3
122.03658	1.3
123.04436	1.0
123.08073	1.4
125.02328	1.0
127.11237	0.7
135.04410	1.8
136.05203	37.6
137.02322	1.1
137.05765	1.2
137.09610	1.7
147.08072	1.2
148.05205	1.0
149.02344	0.7
149.05997	5.7
150.06778	5.4
151.03906	0.9
151.07561	0.9
152.01086	0.8
153.01797	1.0
155.10675	0.9
162.06813	1.2
163.07564	1.8
164.04727	0.7
164.08360	3.3
165.09131	31.4
166.02603	0.5
166.09471	1.5
171.10158	1.0
177.01823	0.5
179.07040	0.7
179.10739	1.0
181.08562	0.7
184.11024	0.9
189.09082	0.5
191.05574	0.6
201.05453	0.5
201.11296	0.8
205.08594	1.0
207.10188	1.4
209.11829	1.6
215.42180	0.6
225.11345	0.8
234.13391	0.5
235.09694	1.3
258.31125	0.5
261.18625	0.7
292.16882	0.7
303.08759	1.2
306.18579	0.9
307.19165	3.9
316.61694	0.6
321.20746	1.1
335.09351	0.7
336.19449	1.1
343.21231	7.8
344.21472	1.0
350.21155	1.2
427.28748	1.3
445.29419	1.4
463.30670	11.2
464.30951	1.2
491.30219	3.3
508.30060	2.7
509.31027	29.8
510.31296	4.1
551.32623	0.8
640.36176	0.6
671.36487	100.0
672.36755	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	671.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14405	1.7
57.03317	3.1
58.02220	1.6
59.01254	30.7
61.05256	1.4
61.75985	1.5
64.46482	1.5
65.03825	2.3
69.03321	4.6
69.64714	5.1
69.65134	7.0
71.01247	24.8
71.04876	2.7
72.99172	1.5
73.02811	3.5
76.37857	1.5
81.03341	3.1
83.01275	2.9
83.04906	10.0
83.86861	1.4
84.02062	2.2
85.02813	6.5
85.06474	4.8
86.97130	1.6
87.00738	2.5
89.02315	15.2
93.03356	3.6
95.01215	1.8
95.04928	2.7
97.02818	5.1
97.06458	5.2
99.00744	1.6
99.04346	1.5
101.02314	20.9
102.02639	1.5
108.02071	8.5
109.02851	1.7
109.06463	9.3
111.08028	7.7
113.02342	8.2
116.55639	1.8
119.03363	3.5
119.04900	3.5
121.06503	2.0
123.08021	4.6
125.02354	5.1
125.09611	11.7
126.10040	1.5
133.06523	1.7
135.08040	3.1
137.09624	3.1
142.22031	1.6
153.09105	1.8
161.04472	7.4
161.09593	1.9
163.11177	5.4
163.53101	1.6
165.12788	2.1
167.10736	2.2
171.10187	15.6
179.05518	3.3
179.10719	1.9
181.12239	4.5
183.13837	10.1
185.05995	17.0
185.11769	3.4
187.14842	2.7
192.75117	1.6
197.11751	2.2
201.11261	4.0
203.14478	2.1
205.15948	9.3
207.10228	21.7
209.11781	32.2
211.13319	14.3
221.15378	5.1
225.11237	20.7
227.12808	4.6
231.13803	9.2
233.15421	20.5
235.08174	3.6
239.16577	1.9
245.92665	1.7
247.17029	6.5
249.14923	76.2
250.15289	5.1
251.16263	2.3
252.60463	1.7
253.09280	59.2
254.09596	3.5
263.16443	2.5
266.15182	3.3
331.26324	2.1
336.12433	2.7
341.24573	4.6
345.14102	1.7
346.17072	1.7
367.22672	4.6
385.23880	9.1
399.25507	3.4
403.24768	4.2
407.28030	6.2
417.26471	73.2
418.26834	12.1
435.27515	100.0
436.27710	9.9
461.20206	4.8
485.23361	4.0
517.93866	2.0
621.32697	3.7
635.30896	3.0
639.34180	2.8
653.35278	15.9
654.35254	3.8
671.32910	22.6
672.33344	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	671.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24487	0.7
53.89003	0.7
57.03299	1.0
59.01254	3.7
61.98683	0.7
66.58544	0.7
69.89521	3.2
71.01251	1.7
85.02815	1.5
87.00690	1.1
89.02302	1.1
93.03350	0.7
96.95878	0.8
97.06458	1.4
98.19876	0.9
100.34708	0.7
101.02329	1.0
109.02843	0.9
121.06490	1.1
121.42659	0.6
123.04401	0.9
123.08017	1.0
125.02274	0.9
125.09613	0.8
135.04387	1.6
136.05206	23.1
137.02299	1.1
137.05972	1.0
147.08144	0.8
148.05165	1.4
149.05986	5.6
150.06792	6.4
151.07417	0.7
157.08640	0.8
160.22438	0.7
163.07599	2.3
164.08281	2.4
165.09128	20.8
166.09396	0.8
179.10687	1.8
191.05626	0.8
225.11296	0.9
229.10710	0.9
245.73409	0.8
313.20181	1.2
321.20764	2.2
343.11951	0.9
343.21368	4.7
350.21121	1.8
427.28326	1.1
445.29581	1.8
463.30521	5.2
491.30182	3.2
508.30396	3.3
509.31100	26.5
510.31497	3.1
671.36475	100.0
672.36890	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	671.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59159	1.0
57.03318	2.0
58.62992	0.8
59.01249	19.7
61.98680	1.2
69.03310	1.0
71.01252	16.1
71.58437	1.3
73.02822	2.9
78.95767	1.2
81.03303	1.5
83.01231	1.8
83.04901	4.2
85.02825	3.4
87.00759	2.1
89.02318	9.9
93.03345	5.2
95.04883	1.8
97.02827	1.4
97.06474	2.7
101.02326	11.8
105.06958	1.0
107.04890	1.4
109.06494	4.3
111.08017	2.7
113.02334	6.6
119.03402	1.6
119.04901	3.7
122.62542	0.9
123.08045	1.9
125.02333	1.1
125.09629	7.7
127.11201	1.3
131.20360	0.9
133.06441	1.8
135.04416	1.1
135.08067	1.5
137.09610	2.3
148.06461	1.0
148.94093	0.9
152.99564	2.1
153.09018	1.0
156.27188	0.8
161.04509	4.7
163.11171	4.0
171.10184	100.0
172.10507	4.0
175.11183	1.2
179.05446	0.9
185.11813	1.0
187.14810	0.9
189.12730	1.0
193.12105	1.4
203.14388	1.9
203.61502	0.9
205.15875	1.5
207.10204	8.2
209.11780	20.6
210.12091	2.4
211.13336	3.8
213.12775	2.4
221.15448	1.9
225.11224	7.2
227.12859	2.5
231.13852	6.5
233.15407	5.4
235.08133	2.8
239.16539	1.2
245.15401	3.6
247.17043	6.7
249.14900	3.7
253.09268	40.6
254.09544	1.8
263.16525	24.8
264.16907	2.3
331.26480	1.6
341.24863	1.7
367.22620	2.0
375.25220	1.1
385.23734	6.4
389.26886	1.1
403.24933	4.3
407.19104	2.7
407.27829	3.8
417.26495	41.6
418.26880	5.1
435.27524	52.7
436.27759	6.0
461.20349	1.8
621.32788	3.6
639.33881	6.1
640.34668	1.5
653.35187	10.8
654.35693	2.7
671.35742	9.1
672.35321	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	669.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02311	0.5
55.01765	0.5
57.03332	0.9
59.01256	8.2
69.03322	1.9
71.01260	4.9
71.04906	0.6
71.37891	1.1
73.02829	1.0
75.03439	0.4
78.95808	0.5
80.02562	1.2
81.03342	1.2
83.01237	0.5
83.04893	4.8
84.02071	0.9
85.02832	1.4
87.00769	1.2
89.02322	3.5
93.03362	0.6
95.04890	0.8
97.02831	0.7
97.06470	0.5
101.02318	4.8
103.14960	0.5
109.02860	0.5
109.06512	1.4
111.08125	0.7
113.02341	2.7
119.03361	0.7
125.02344	1.2
125.05996	0.5
125.09595	0.8
135.08041	0.7
141.73988	0.5
149.09535	0.8
152.99480	0.6
161.04478	1.6
163.11185	3.5
165.12776	1.6
167.10747	3.1
171.10165	3.6
179.10631	1.3
179.14345	2.9
181.12206	0.6
191.10619	1.2
195.13849	9.7
197.11754	0.5
205.12277	8.6
205.70183	0.5
206.12653	0.7
207.10332	0.7
209.11775	100.0
210.12094	5.7
211.13318	0.7
223.13351	91.3
224.13701	6.0
225.11295	0.7
227.12851	15.8
228.13109	0.6
231.13876	0.7
235.08202	3.6
245.15414	0.5
249.14893	0.5
253.09288	13.3
261.15002	3.2
317.90305	0.5
383.22189	0.5
415.24884	2.0
433.25943	2.9
434.26404	0.5
441.21478	0.6
445.21228	0.9
459.22385	7.8
460.22668	1.2
600.17181	0.8
633.32825	0.8
651.34052	3.4
652.34064	1.0
669.31085	1.1
670.32611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10408	1.0
55.01772	1.2
57.03344	1.8
59.01252	21.1
67.74717	0.9
69.92966	3.8
70.66170	1.0
71.01245	14.6
71.04895	1.1
72.99165	1.7
73.02820	4.5
73.74271	0.9
80.02557	1.5
81.03320	2.6
83.01263	2.0
83.04897	8.0
85.02804	4.7
87.00750	3.1
89.02322	5.0
93.03346	2.1
94.02869	7.4
95.01283	2.1
95.04902	2.9
96.95902	3.6
97.02824	6.9
97.06487	2.5
98.20170	2.7
99.00764	11.0
101.02322	7.0
103.19672	0.9
108.02057	9.4
109.02825	1.6
109.06477	8.1
110.03603	2.1
110.69170	0.9
111.00815	1.3
113.02334	9.2
117.41357	1.0
119.04964	1.1
121.06435	1.7
121.97035	0.9
123.04403	2.0
123.08017	1.8
125.02354	7.8
125.09613	6.9
130.04187	1.3
131.03448	1.1
135.04453	1.5
135.08038	2.5
136.05135	1.4
137.02319	1.9
141.71658	1.0
142.02567	1.1
145.05005	1.6
161.04471	2.3
163.11186	12.6
165.12712	2.8
171.10236	5.3
172.05304	1.2
179.05450	1.4
179.10730	2.0
179.36850	1.2
181.12265	10.5
183.04425	4.1
185.11748	2.4
191.05579	2.4
191.10677	1.5
197.11806	2.2
199.13387	2.3
200.04726	45.5
200.53859	1.0
201.05525	1.4
201.11082	1.3
207.10191	48.0
208.10541	2.2
209.11766	100.0
210.12074	6.2
211.13394	4.2
221.15427	1.5
223.13420	1.1
225.11266	67.8
226.11559	3.2
227.12852	18.5
231.10027	1.1
235.08186	3.5
241.08701	2.7
243.12349	8.3
247.13400	1.1
249.11176	1.0
253.09331	7.7
257.04535	1.3
263.12723	1.4
264.38617	1.0
265.14447	1.2
271.06131	3.1
272.06766	1.9
277.20975	1.0
283.05981	1.4
295.06079	1.5
321.41098	1.1
335.09418	1.3
336.12396	67.0
337.10974	5.4
338.11465	1.6
339.12411	4.7
340.13104	0.9
355.23108	1.3
373.23761	2.1
391.24844	1.8
399.21622	3.1
405.17523	1.2
417.22855	5.0
435.23251	1.2
443.19208	3.2
461.20270	18.3
462.20477	2.6
542.12122	1.3
545.21747	1.2
546.22180	1.2
625.33075	1.2
630.21851	7.6
635.30615	3.4
653.31750	18.1
654.32227	2.9
671.32507	20.5
672.22626	3.0
672.33606	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	669.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70309	2.5
57.03326	24.5
59.01255	100.0
61.98676	3.4
69.03372	2.5
69.56367	19.4
71.01258	16.8
71.29102	2.2
72.99175	3.0
73.02830	5.3
85.02828	6.8
87.00755	2.7
88.98686	3.6
89.02319	5.1
93.03305	3.0
95.01286	2.6
96.95887	7.4
97.02820	3.2
99.04385	3.7
101.02337	12.3
109.02846	3.1
113.02365	5.0
119.04942	3.1
122.03603	3.6
123.04414	7.5
125.02321	10.2
125.09647	2.9
135.04407	7.3
136.05183	3.7
137.02335	7.2
149.05978	4.9
150.06776	15.9
151.03926	20.6
161.04504	5.8
163.07562	95.8
163.08948	5.3
164.08125	5.0
165.09058	3.4
171.10234	3.9
179.10709	5.7
181.12357	2.6
195.02907	4.8
196.03625	4.2
207.10257	5.6
209.11815	7.0
211.13290	3.0
223.09653	3.1
223.13406	2.9
225.11211	5.7
235.08487	2.4
235.13333	3.3
245.47237	2.2
247.13539	3.0
255.12173	2.5
255.23280	3.4
303.19659	22.8
304.20056	2.9
327.21814	3.7
341.10156	4.0
345.20654	9.2
358.08975	3.6
363.21811	16.2
397.12689	2.4
447.31137	2.5
460.31940	3.1
461.20709	2.7
465.32269	6.2
488.31641	2.9
489.24921	3.8
506.32648	3.1
507.25943	18.9
507.33072	10.0
508.26361	2.9
525.27026	69.3
526.27478	13.3
567.28088	56.3
568.28363	9.3
578.30438	2.5
607.31537	10.9
609.34991	3.1
669.30884	37.5
669.39069	31.4
670.30737	6.4
694.09326	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	669.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12705	1.1
57.03312	4.5
59.01255	16.4
61.98692	1.7
67.01759	1.1
69.03322	2.0
70.53487	3.8
71.01252	11.9
71.04858	1.1
72.99176	2.0
73.02824	1.9
81.03310	1.9
83.01228	1.5
83.04921	1.8
85.02816	3.6
87.00758	2.7
89.02326	7.7
93.03311	1.3
95.01249	2.2
95.04935	1.3
96.95908	2.6
97.06472	14.7
99.00739	2.1
101.02330	8.9
108.02036	2.7
113.02313	4.2
119.03421	2.7
121.02823	1.2
123.04373	1.6
123.08047	7.4
125.02331	2.6
125.09612	100.0
126.09953	4.5
131.03401	1.4
134.03621	2.0
135.04402	3.8
135.07990	1.4
143.03238	1.2
148.05173	1.3
148.55542	1.1
148.56721	1.2
149.05960	3.5
151.03935	1.8
151.07568	1.4
157.08638	2.1
161.04408	2.9
169.08578	1.5
171.10255	3.0
179.05473	1.3
187.09686	84.1
188.09991	2.5
200.04680	2.4
201.05148	1.9
201.11101	1.2
205.12148	1.2
207.10194	2.6
209.11765	12.9
211.13303	2.4
217.12321	2.3
221.11841	1.7
223.09770	2.0
223.13329	3.6
225.11256	1.7
227.12769	1.8
233.11810	4.8
235.13385	6.0
253.09280	7.4
261.13525	1.7
263.12839	19.9
264.13342	1.9
284.02692	1.3
306.69833	1.3
327.12357	2.0
336.12360	4.6
337.12601	6.8
405.17679	8.0
415.24850	1.8
423.18723	39.3
424.18982	3.7
433.25854	2.7
470.10800	1.2
609.36731	3.4
625.28528	1.6
627.37512	2.3
631.22278	7.0
632.22174	1.3
633.23279	1.7
651.30206	3.3
669.31006	34.5
669.40240	2.7
670.31848	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	667.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.4
61.98704	0.3
71.01257	2.2
71.20679	0.3
72.99711	0.3
73.02833	0.5
77.62234	0.3
85.02835	0.7
87.00765	0.5
89.02325	1.3
97.02769	0.3
98.19740	0.6
101.02319	1.7
113.02340	1.0
119.03439	0.5
125.09610	1.2
127.11178	1.7
130.01436	0.4
133.54584	0.4
134.65871	0.3
161.04362	0.7
163.35640	0.3
171.10182	90.6
172.10536	3.5
233.22798	0.5
235.08185	2.2
253.09245	6.6
275.20184	0.5
277.21716	100.0
278.22043	8.7
305.97397	0.5
319.03723	0.3
432.86511	0.4
477.05859	0.4
513.30450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.6
71.01249	1.5
71.58196	0.3
79.37170	0.2
85.02808	0.4
87.00757	0.4
89.02328	1.0
101.02317	1.3
110.70482	0.3
113.02335	0.7
119.03411	0.2
120.76815	0.3
125.09576	1.2
127.11193	1.8
139.71156	0.2
153.09131	0.4
161.04443	0.6
171.10187	100.0
172.10542	4.1
202.03401	0.2
214.60120	0.3
235.08157	1.2
252.07816	0.3
253.09283	4.6
277.21725	51.5
278.22095	4.4
398.73801	0.3
407.19278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67852	1.3
53.02599	1.1
54.11614	1.0
55.01742	1.2
57.03305	3.6
58.00465	1.2
59.01254	28.9
69.36426	10.7
71.01255	27.2
72.99171	3.6
73.02822	14.0
75.00751	9.8
78.26759	1.1
83.01237	3.5
85.02828	12.3
87.00764	2.9
89.02316	7.6
93.03346	2.0
95.01258	3.7
96.95888	2.9
99.00752	7.9
101.01701	1.6
101.02325	22.5
110.02310	1.1
111.00719	2.3
113.02316	12.1
119.03423	1.6
119.04913	1.9
123.04408	1.7
123.08025	4.3
125.02299	3.2
125.03216	1.1
126.79472	1.1
131.03403	1.2
135.04370	2.9
137.02319	3.0
137.20692	1.3
149.02353	1.2
151.03876	3.5
159.02853	3.2
161.04431	4.6
174.42438	1.1
189.01759	1.3
191.05556	1.9
193.04890	1.6
193.78250	1.4
223.05986	1.5
231.77017	1.2
257.99741	1.3
277.21887	6.5
291.26010	1.3
295.22787	2.6
345.45187	1.2
362.19385	1.4
373.25781	2.4
439.26993	2.0
443.21729	1.3
457.27838	2.9
463.23508	2.1
475.29083	1.6
535.31378	2.0
581.31500	2.2
607.33582	6.0
667.35455	100.0
668.35919	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	667.2187
Annotation	Dadahol B
Peak:m/z	Relative Intensity
59.01249	1.1
62.39806	0.4
65.35367	0.3
71.01260	0.6
71.06755	0.9
89.02331	0.4
93.03353	1.5
96.95905	1.7
100.38737	0.3
117.03350	17.7
118.03641	0.4
119.04918	100.0
120.05240	3.3
121.02858	3.7
123.04446	1.6
125.02275	0.4
132.05807	0.4
133.02844	1.1
133.06503	0.5
134.03604	0.6
135.04424	1.3
145.02859	57.5
146.03171	2.0
149.02357	0.4
149.05980	0.8
150.03180	0.4
151.03865	0.3
161.02260	0.5
161.05974	1.2
162.03151	6.4
163.03922	76.4
164.04266	2.7
165.05463	0.4
177.05505	1.1
179.06996	0.4
207.10144	0.5
218.10356	0.3
223.13370	0.7
225.11301	0.8
323.09155	1.6
341.10229	1.2
379.11972	0.7
428.16177	0.3
461.20432	0.4
473.15848	1.2
485.15814	1.0
503.17389	0.7
521.18127	7.1
522.18134	0.9
522.89099	0.3
571.34955	0.3
607.37762	0.5
650.97021	0.4
667.21759	16.2
668.21954	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	667.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.2
57.03315	2.8
58.00462	2.0
59.01255	51.9
63.96119	6.8
71.01256	43.6
71.58853	1.9
72.99184	10.5
73.02827	6.0
73.98231	1.5
75.00762	1.3
80.43382	1.0
81.46471	1.2
83.01259	3.3
85.02820	14.7
87.00760	5.2
89.02321	36.6
93.03335	2.0
95.01254	3.9
96.95900	13.4
97.02805	1.3
99.00761	5.5
101.02327	24.1
113.02332	23.1
117.97190	3.4
119.03394	17.2
121.02894	1.4
123.59580	1.2
125.02290	2.8
131.03444	1.3
135.04424	3.4
135.98282	10.8
137.02339	1.6
143.03397	4.4
151.03908	4.9
161.04482	7.4
163.03889	1.5
164.04573	1.4
175.03929	3.0
179.05536	9.4
180.04237	2.3
190.02690	1.9
190.06323	4.7
191.07085	2.7
193.05017	2.4
205.05193	2.0
205.08647	3.0
207.06595	2.1
208.07367	1.4
215.05573	2.0
222.21750	1.3
293.08801	1.7
301.10980	1.3
331.54523	1.4
367.10233	2.8
369.76392	1.3
389.16095	20.3
390.16434	4.1
401.51813	1.3
461.14279	1.7
487.25562	3.0
505.26636	10.4
547.18158	3.9
548.18274	1.3
551.30347	1.3
623.23901	2.2
667.31952	100.0
668.32288	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	665.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12909	2.3
51.74469	2.2
52.88450	3.0
57.03325	2.8
58.00453	3.4
59.01256	100.0
63.18551	2.8
71.01255	65.7
71.57884	4.4
72.99190	6.6
73.02812	15.4
83.01260	6.6
85.02822	28.1
87.00743	6.3
89.02330	49.4
90.02681	2.8
93.03355	3.0
95.01291	5.7
96.95902	17.9
99.00764	11.1
101.02338	36.0
109.02879	3.1
113.02337	44.9
119.03406	19.9
119.04913	7.2
121.02834	5.9
123.04448	3.9
125.02326	5.7
131.03389	6.3
131.23108	2.5
133.02794	4.1
134.03697	3.2
135.04483	13.8
135.05319	2.6
136.01645	13.1
137.02383	3.7
141.28604	2.9
143.03415	7.4
149.02380	3.6
149.04483	5.6
149.06006	2.4
151.00284	6.2
151.03934	24.6
152.04463	3.0
153.01909	5.4
161.02365	4.2
161.04538	6.7
163.03949	4.2
165.05438	2.7
166.02661	15.1
175.03934	6.5
179.03419	3.5
179.05504	7.3
181.04999	12.2
191.05531	6.9
193.04968	4.1
205.08679	5.1
217.08640	10.5
235.09697	6.4
266.97830	3.3
284.03311	4.3
285.04083	60.9
286.04395	5.1
323.12665	4.5
341.13776	6.4
342.14343	3.3
357.09598	5.1
357.13651	3.8
372.12033	3.0
387.10187	3.8
387.14572	25.8
399.23804	7.8
406.85071	2.8
417.25122	13.8
489.10580	4.0
503.18909	7.9
561.29211	55.8
562.29199	6.3
575.21075	3.2
579.21698	3.9
579.30255	49.8
580.30444	5.3
605.22565	7.5
621.14661	19.7
621.31049	10.8
622.14716	5.4
665.23846	13.0
665.34320	3.7
678.23663	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	665.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	23.2
71.01257	10.7
71.57964	2.5
73.02827	4.4
79.31590	2.1
85.02005	2.1
85.02827	7.3
87.00742	3.8
89.02311	5.6
96.95908	5.7
97.06427	2.1
97.11107	2.2
99.00749	3.5
99.07052	2.0
101.02315	5.2
113.02322	7.7
116.92726	2.3
121.02849	2.9
125.09647	2.8
135.04434	5.0
137.02385	2.7
151.03891	4.0
168.05554	2.0
169.06502	7.6
181.05263	2.8
182.05919	2.2
183.06819	97.1
184.07266	5.1
187.09544	2.9
191.05525	6.6
199.08714	100.0
200.09027	5.8
209.11745	2.6
224.05829	34.6
225.06642	37.5
267.07721	4.0
274.86139	2.1
277.11560	2.1
364.19394	2.5
387.00061	2.2
403.15137	5.6
429.12833	3.1
445.15854	4.3
475.17294	16.9
517.18390	6.0
557.39838	2.5
561.17371	21.4
562.17242	2.8
606.00476	2.4
665.37555	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	664.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05983	0.1
58.51475	0.1
59.01250	0.3
60.83182	0.2
61.98705	100.0
71.01272	0.2
71.58356	0.1
71.99090	0.1
76.07751	0.1
89.02301	0.1
93.03327	0.2
100.44448	0.1
109.02840	0.5
119.03445	0.1
119.04926	1.0
135.04431	0.8
201.09274	0.1
219.10329	0.2
273.49634	0.1
277.21771	0.4
278.22137	0.3
279.22607	0.1
341.14069	0.2
342.11328	0.2
353.13974	0.1
465.58157	0.2
665.27112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02906	1.0
57.03314	1.5
59.01252	8.9
59.69422	1.2
61.61779	1.1
62.12835	1.1
63.28427	1.2
65.03870	1.3
71.01241	5.1
72.04417	3.4
73.02846	1.2
73.07422	1.3
74.02338	3.3
74.98986	2.4
80.72129	1.1
85.02834	1.8
88.98694	1.2
89.02316	2.2
93.03358	2.3
96.95879	4.0
98.19725	1.7
99.00760	2.5
100.01071	1.1
100.03919	13.9
101.01697	1.3
101.02328	2.4
101.63165	1.3
102.98474	1.5
113.02340	1.5
119.04910	25.7
121.02832	1.5
125.02337	1.6
135.04440	1.8
137.02315	2.2
139.99280	7.7
144.02910	7.4
149.09612	2.1
150.03072	3.3
151.03880	1.4
153.00040	3.7
154.00841	3.2
165.07452	1.2
166.00836	6.6
167.98735	1.9
170.78854	1.3
175.07558	1.2
176.00079	1.3
177.05664	1.3
177.09146	2.1
178.01715	14.7
179.01816	1.2
180.99571	3.7
181.06847	2.0
182.00366	2.6
189.09167	1.8
191.05540	2.3
191.07123	1.4
192.07811	1.6
192.99669	1.4
193.03168	2.2
193.08589	4.2
195.04753	3.4
196.03622	1.3
203.06995	7.7
204.99579	1.8
205.08647	20.6
206.00220	2.0
207.04883	2.7
208.05522	1.5
209.06348	36.2
217.08690	12.4
219.10138	1.9
221.06255	2.3
221.08177	6.3
222.06940	1.4
223.04295	12.2
223.07886	1.3
224.05035	2.5
225.05844	1.6
236.05116	3.6
237.05873	98.2
238.06157	4.1
248.05013	2.1
249.05875	10.9
250.06683	7.0
251.07401	4.2
306.07568	2.3
323.12933	7.0
325.14468	3.3
329.11926	6.9
355.10339	1.3
357.11636	81.7
358.11929	6.6
369.08737	2.6
382.09637	4.0
399.11353	3.9
502.15338	11.8
505.69495	1.2
519.16937	100.0
520.17340	13.9
544.15277	1.3
620.30383	2.1
664.20764	26.4
664.31396	1.5
665.20905	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	663.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39735	0.5
58.87045	0.6
59.01252	2.6
61.98690	1.4
70.58281	1.5
71.01263	2.0
73.02847	0.5
85.02827	5.6
87.00761	1.1
93.03358	3.2
94.85944	0.6
95.61055	0.6
96.95906	1.4
99.04416	0.7
101.02341	0.6
101.12852	0.5
107.04890	0.7
108.01984	0.5
109.02824	1.2
111.04424	1.1
113.02284	0.5
125.02359	0.6
127.03866	0.7
129.01773	0.7
133.02792	2.6
135.04416	10.2
137.02397	1.0
151.03902	1.2
161.02335	8.4
173.04433	0.9
179.03450	5.3
191.05542	100.0
192.05861	3.3
201.11275	1.5
204.65228	0.6
209.11905	1.0
227.12865	1.0
269.04553	0.6
309.20758	0.6
323.09207	1.0
327.21707	2.1
337.10754	1.2
353.08719	8.3
370.08551	2.1
487.86887	0.6
663.29034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	15.0
61.98661	2.0
63.56345	1.7
65.42852	2.0
70.58613	4.0
70.58980	3.4
71.01261	12.3
73.02840	4.8
83.04890	3.3
85.02818	13.8
87.00760	2.1
89.02314	2.2
93.03307	2.4
96.95881	7.9
99.00760	6.2
101.02320	6.5
113.02316	7.6
116.92751	6.1
117.92742	4.7
119.04920	58.7
125.02386	3.0
135.04413	4.0
151.11168	12.7
161.02359	2.0
161.04471	2.4
171.10196	2.1
173.04585	1.8
180.69231	2.1
181.30632	1.7
191.01881	7.0
191.05536	24.0
193.06119	1.8
198.88567	2.0
202.06165	1.9
214.10150	2.2
283.17026	100.0
284.17355	8.9
353.08167	2.3
402.64435	2.4
404.31833	2.1
445.67474	2.0
471.23807	4.6
535.20618	2.2
577.26617	18.1
578.27277	2.5
619.27521	23.1
620.27734	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.6
57.03317	0.8
58.93170	0.4
59.01252	12.5
59.22269	0.4
69.77670	0.4
71.01252	9.3
71.22352	0.8
71.22668	0.7
72.99167	0.8
73.02818	2.6
83.01254	0.9
85.02822	4.3
87.00755	1.0
89.02315	4.4
93.03334	1.7
95.01269	0.8
96.95881	3.4
99.00755	1.3
101.02315	4.2
108.02049	1.5
109.02846	0.7
113.02335	4.9
115.97495	0.4
119.04918	97.7
120.01143	0.8
120.05240	3.4
121.02839	3.2
125.02333	1.2
132.02939	0.8
135.04442	1.1
137.02368	0.9
143.03394	1.2
147.04460	0.4
149.02342	1.7
150.03127	2.6
151.03813	0.5
161.04471	3.8
161.05894	0.9
162.03177	1.0
163.04008	1.0
164.04655	0.9
165.05519	0.6
169.89706	0.5
171.08112	0.4
175.03897	0.9
176.08334	5.4
177.01811	0.4
179.03461	0.6
179.05652	0.6
179.07074	4.1
185.50156	0.4
189.05457	0.6
189.09067	0.7
191.05539	0.6
196.03529	0.4
201.11270	1.8
203.07024	1.3
204.07864	17.1
205.05051	0.6
205.08649	7.3
206.09053	0.8
208.07277	1.3
216.07881	0.6
217.08673	6.7
218.09380	2.4
219.10217	100.0
220.10573	4.7
223.06143	0.9
233.11783	1.7
281.08304	1.0
307.13367	0.7
323.12875	1.7
324.13599	2.5
339.16003	81.7
340.16275	8.2
340.20145	0.8
341.10767	0.6
349.13156	0.9
399.23782	0.5
415.23407	1.0
417.69949	0.5
501.21307	24.1
501.28738	1.1
502.21649	2.8
515.24792	0.7
540.73737	0.5
543.28131	1.5
561.29266	3.9
579.30219	1.6
603.30231	1.1
621.31024	1.1
663.35919	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	662.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85388	0.7
58.69438	0.7
59.01251	5.5
71.01249	2.9
71.07628	1.6
72.20161	0.8
73.02822	1.1
75.90047	0.7
85.02821	1.7
87.00771	0.8
93.03349	1.7
96.95901	5.4
101.02316	2.1
109.02907	0.8
116.92729	1.1
119.04920	14.3
121.02866	1.5
125.02367	1.2
135.04436	1.7
137.02368	0.9
138.98511	2.8
139.99283	13.0
151.03897	1.4
151.99239	1.5
153.00037	1.6
163.05742	1.0
165.00113	1.4
166.00897	1.1
166.97992	2.9
167.98830	1.2
178.98000	2.6
179.98729	3.5
180.99527	2.7
182.00356	1.1
189.03647	1.1
191.05437	2.5
191.98824	5.2
192.99576	11.1
193.03256	5.0
194.00212	1.2
203.07063	4.6
204.99600	19.6
206.00346	10.0
207.01031	1.2
207.04794	22.5
208.05539	7.5
209.06345	4.8
217.08659	0.9
219.04808	1.2
221.06363	10.3
223.08018	1.5
224.72141	0.7
235.04308	7.6
236.05081	34.4
237.05826	19.0
239.07491	0.8
247.04317	1.1
248.02484	1.2
248.05101	38.4
249.05872	80.2
250.06348	6.8
251.07463	10.8
252.07632	1.0
263.07303	0.8
265.08966	1.1
287.03812	1.3
294.04916	0.9
302.23306	0.9
321.11349	2.0
327.10730	3.6
337.10684	2.0
338.11252	3.4
339.10904	1.1
355.10068	15.2
356.10852	57.6
357.11295	6.6
371.13199	100.0
372.13550	10.9
440.11472	1.5
453.12415	1.2
455.13757	1.4
458.16345	1.9
501.18018	1.2
560.17090	21.3
561.17828	3.6
565.93854	0.9
575.19562	63.6
576.19794	10.3
602.35907	0.9
662.22949	2.3
663.23132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77683	7.0
65.50529	7.8
69.62477	56.6
100.28595	7.5
137.02370	16.6
151.03918	31.3
152.04724	17.1
195.02956	6.9
196.03691	56.2
211.06071	31.1
373.11398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99476	2.1
59.01245	13.1
60.97400	1.7
61.98719	2.1
70.62124	1.6
70.99519	1.7
71.01257	7.3
71.58537	1.7
71.58936	2.7
72.04421	3.5
72.97398	11.5
72.99178	1.7
73.02848	2.9
74.50089	1.4
81.12499	1.4
81.95321	1.5
84.00787	2.2
85.02824	6.7
86.02365	5.8
86.98989	6.8
87.00733	2.6
89.02277	3.0
93.03354	3.3
96.00778	3.0
96.95896	9.4
98.02378	7.1
100.00276	18.4
100.03913	22.6
101.02343	4.3
109.02858	2.1
109.06450	2.2
113.02360	2.8
119.03439	1.9
119.04910	30.5
120.05322	1.7
121.02862	2.4
125.02300	2.3
129.99585	27.9
135.04417	3.1
137.02328	3.4
139.99243	9.2
144.02924	17.2
149.09682	1.9
150.03148	4.0
151.03973	2.3
153.00099	3.9
154.00864	2.5
159.58423	1.6
161.02402	2.0
161.04437	2.0
162.03217	1.7
165.07329	1.9
166.00830	7.4
167.98840	1.9
168.87199	1.5
171.10156	2.0
173.98576	33.2
175.04028	1.6
175.07637	2.2
176.00148	7.7
177.09102	1.6
180.99521	2.5
182.00381	3.2
182.02078	1.8
191.05559	20.4
191.07146	2.7
191.98831	6.4
192.05974	3.0
192.07851	5.0
192.99496	4.7
193.03185	2.7
193.08586	2.7
197.11685	2.6
199.13376	2.4
203.07101	8.9
203.10814	1.8
204.99586	7.5
205.08643	28.5
206.00293	4.9
206.08957	3.0
207.01033	2.1
207.04793	14.8
208.05598	2.5
209.06351	45.7
209.11798	4.9
217.08740	6.7
218.09294	4.1
219.10207	4.1
221.06427	3.8
235.04393	4.4
235.07915	2.3
236.05109	8.9
237.05870	100.0
238.06285	5.5
247.04298	13.7
248.05078	16.6
249.05850	20.2
250.06610	3.0
251.07440	3.2
287.04047	1.8
323.13092	3.3
325.14438	17.1
327.10934	1.8
329.12234	4.1
353.08279	1.8
355.06415	1.1
355.10059	37.6
356.10617	6.0
357.11639	51.2
358.12061	5.5
397.11337	5.2
400.14792	2.2
469.21979	4.2
470.22830	3.8
487.19461	2.5
500.13419	9.7
517.15387	4.7
519.16931	72.4
520.17236	11.6
521.32709	1.9
613.45331	2.0
618.20203	3.7
662.19086	30.9
663.19763	3.8
663.29370	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	662.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92658	1.5
57.03308	2.3
58.99460	2.4
59.01247	13.1
60.97390	2.2
67.85110	1.8
71.01250	7.2
71.59148	2.0
72.04420	3.8
72.97411	14.8
73.02824	2.6
74.00562	1.8
78.95769	1.7
85.02827	10.9
86.02372	3.9
86.98972	7.9
87.00775	2.3
89.02313	5.8
93.03340	4.6
96.00805	3.3
96.95892	8.4
98.02340	5.7
99.82323	1.8
100.00285	20.4
100.03921	25.6
101.02324	4.9
109.02830	3.8
113.02342	2.9
119.04919	42.5
120.05243	4.4
121.02846	2.4
122.51748	1.9
125.02372	2.4
129.99583	33.3
135.04434	3.8
137.02328	3.7
139.99284	10.5
143.17116	1.8
144.02931	19.5
149.02357	5.3
150.03120	4.9
150.05571	1.8
151.03793	2.1
153.00133	2.3
161.04491	2.8
162.02989	2.6
165.00031	1.7
165.05434	2.5
165.07326	2.9
166.00790	10.4
171.10170	2.5
173.98582	35.0
175.03882	4.0
175.07547	2.5
176.00110	10.2
179.98729	1.6
180.99571	3.0
181.06857	3.3
182.00317	2.5
190.06212	3.6
191.05534	35.8
191.07108	4.1
191.98766	6.1
192.05858	5.1
192.07837	10.2
192.99574	4.2
193.03008	1.6
193.08606	6.8
195.13803	2.0
197.11818	1.8
201.11250	3.9
203.07076	10.9
204.07710	2.4
204.99590	11.4
205.08638	60.0
206.00299	3.7
206.08986	15.3
207.01149	1.7
207.04803	12.6
209.06351	46.8
209.11774	5.9
210.06700	2.5
217.08675	14.5
218.09372	9.0
219.10197	13.2
220.05331	1.5
220.10486	2.9
221.06390	4.1
221.11899	2.1
223.04311	2.2
229.08551	1.8
235.04294	5.7
236.05122	9.6
237.05872	100.0
238.06259	4.5
238.61024	1.6
247.04323	13.2
248.05080	20.8
249.05840	18.4
250.06517	5.2
251.07413	3.6
252.20659	1.8
253.05109	1.7
264.11813	1.7
301.35245	1.8
323.12799	3.0
324.13419	3.1
325.14355	20.9
326.14841	5.1
329.12326	3.9
355.10062	35.0
356.10449	3.6
357.11639	58.1
358.12027	4.9
361.74661	2.0
397.11258	5.4
400.15149	4.0
401.15973	3.5
410.10565	2.5
469.22171	5.7
470.22540	7.9
500.13498	9.5
517.15393	5.1
519.16956	80.1
520.16864	10.7
541.19116	6.9
542.19409	9.0
618.20056	3.4
619.22864	1.9
620.24103	4.9
626.52008	2.0
662.18079	33.3
663.19568	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	661.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28446	0.2
58.22630	0.2
59.01254	2.1
61.98702	0.5
67.01777	0.3
71.01257	1.1
71.16486	0.5
73.02811	0.5
80.96383	0.3
81.03342	0.3
83.01271	0.3
83.04871	0.3
85.02823	5.1
87.00761	1.1
88.98672	0.3
89.02322	0.4
91.80313	0.2
93.03336	2.3
96.95907	0.8
99.00807	0.2
101.02328	0.7
109.02837	0.8
111.04383	0.6
113.02339	0.6
113.93628	0.3
124.86826	0.3
125.09676	0.3
127.03902	1.4
133.02855	2.7
134.03661	0.5
135.04408	8.2
137.02319	0.4
137.86952	0.3
161.02359	7.0
169.12231	0.6
171.02872	0.5
171.10226	0.8
173.04469	0.8
179.03409	4.6
185.11720	0.3
191.05544	100.0
192.05923	2.7
199.09677	0.3
199.13260	0.4
201.11230	0.5
209.11818	0.6
211.13365	0.9
213.11366	0.4
215.12895	0.7
227.12921	0.7
251.53471	0.3
289.18271	0.3
307.19199	0.5
325.20111	1.5
353.08765	8.6
354.09323	0.4
451.21829	0.4
499.25415	0.3
661.28729	0.4
661.35504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
59.01256	4.9
65.03843	2.0
67.01765	0.4
69.53268	1.5
69.53704	1.7
71.01262	3.2
72.99187	0.6
73.02821	1.0
77.41505	0.3
79.00354	0.4
85.02856	0.6
89.02296	2.6
91.05410	9.9
92.05760	0.4
93.03340	6.6
96.95883	0.6
99.00759	5.7
101.02341	1.5
105.07000	0.8
107.04908	2.2
109.02842	7.2
109.06510	0.7
113.02328	1.9
119.04920	35.0
120.05230	1.0
121.02847	23.6
123.04429	2.9
125.02356	0.4
131.03398	1.0
134.03636	1.5
135.04419	100.0
136.04758	3.5
137.05934	0.6
140.91541	0.4
147.04413	8.7
148.05170	1.2
149.04460	3.6
149.05986	10.1
155.03391	0.5
160.05232	0.6
161.04527	0.8
161.05980	0.9
161.77203	0.4
163.97432	0.4
166.02643	0.9
166.37883	0.5
173.05991	0.8
174.06851	0.7
175.07545	3.6
177.05476	0.5
177.09135	4.3
187.07590	8.6
188.07910	0.8
188.24841	0.4
189.09140	30.8
190.09492	2.0
191.05536	3.7
193.08583	0.5
201.09166	4.0
203.05548	1.7
203.08722	0.7
203.10715	23.4
204.11040	1.4
205.08647	27.3
206.08975	1.6
215.10674	3.2
219.10179	2.0
229.50447	0.4
231.10185	0.9
233.06670	1.4
255.10229	1.5
265.85620	0.4
307.13364	4.4
325.14471	7.5
326.14825	0.6
335.09818	1.0
388.74347	0.4
426.31665	0.4
429.14056	1.3
471.14963	9.6
472.15631	0.7
480.44467	0.4
481.17096	0.5
483.18591	1.0
487.18546	0.9
497.19943	0.6
499.17911	1.2
513.19708	0.5
519.17114	0.5
525.19745	11.1
526.20068	2.1
529.20483	2.1
539.21381	5.5
540.21747	0.8
541.19330	7.4
542.19379	1.1
569.66937	0.4
601.23041	3.8
602.23242	0.6
619.24194	5.0
620.23871	0.8
661.25006	19.3
662.25446	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	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51518	0.7
57.03318	1.1
58.00463	1.1
59.01252	52.8
67.56181	0.7
69.03333	2.2
69.77306	3.4
71.01255	38.3
72.99171	3.2
73.02821	26.8
81.03306	1.1
83.01271	2.8
85.02829	7.5
87.00761	1.3
89.02319	43.6
93.03341	18.0
95.01285	2.4
96.95885	4.8
97.02834	2.3
99.00759	100.0
100.01109	1.7
101.02322	12.4
107.04890	2.7
109.02863	1.1
111.00826	0.9
113.02338	12.9
119.04919	91.1
120.05258	3.6
125.02335	8.3
131.03404	15.9
131.04378	1.0
135.04414	6.2
143.03426	5.4
149.04460	55.4
151.03909	1.4
155.03355	4.9
161.02350	0.8
161.04465	7.5
175.07613	1.4
185.06052	1.2
187.07581	27.3
188.07947	2.0
191.05548	50.8
192.05914	1.7
201.09161	28.9
202.09344	0.8
203.05557	22.8
203.07458	1.2
203.76529	0.8
204.05991	1.3
205.08560	4.8
213.09163	4.0
233.06625	11.0
249.05952	0.8
252.07567	0.8
275.07684	1.1
293.04645	0.9
307.13379	42.5
308.13702	4.0
325.14548	2.3
335.09848	3.4
337.10834	4.4
356.11154	1.3
371.13553	1.1
388.15671	0.7
423.16705	0.7
457.18518	0.8
529.19910	1.1
541.19354	6.5
542.19836	1.0
617.26697	0.9
619.24078	2.5
661.24915	23.0
661.35901	1.9
662.25049	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	661.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	8.2
59.93147	0.5
62.51233	0.6
64.30042	0.5
71.01258	5.8
72.99174	0.7
73.02813	2.4
81.03323	0.7
85.02821	2.0
87.00749	1.2
89.02313	6.2
91.05413	0.7
93.03326	4.0
96.95895	2.0
97.02827	0.7
99.00755	6.6
101.02301	2.0
107.04866	1.1
108.02052	1.5
109.02828	2.4
113.02326	3.4
119.04916	34.0
120.05246	1.0
121.02836	6.3
122.03658	2.7
123.04453	0.8
125.02333	1.3
127.03862	0.6
131.03455	0.8
133.02824	2.1
134.03622	2.5
135.04408	12.5
136.01559	2.2
137.02361	2.9
147.04422	4.1
148.05232	1.0
149.02341	8.7
149.04414	4.1
150.03133	10.0
157.06548	0.8
159.04439	1.1
159.08084	1.0
161.02350	1.0
161.04395	1.3
161.05959	0.8
162.03105	2.0
163.03905	4.5
164.04761	3.5
169.06566	0.7
171.10213	0.6
172.05179	0.7
172.31161	0.5
173.06007	0.9
175.03928	7.5
175.07578	1.2
176.04692	1.7
177.09129	4.3
182.02153	3.5
185.06003	1.6
187.07550	1.1
189.05330	0.9
189.09102	8.4
190.06256	5.4
190.09825	1.3
191.05510	11.4
191.07074	8.6
191.10646	1.7
192.07765	1.4
193.08582	3.2
196.66164	0.5
197.11893	0.7
199.13310	0.7
201.09117	0.9
203.05568	1.1
203.07065	4.4
203.10719	7.3
204.07814	2.3
205.08630	100.0
206.08995	6.1
209.11734	1.4
215.10745	0.9
217.08661	5.1
218.09422	18.0
219.10210	48.7
220.10550	3.1
221.08041	2.8
223.06114	0.9
231.10193	2.9
255.06586	4.2
256.07111	0.9
307.13266	2.9
323.12909	2.0
324.13638	1.5
325.14444	71.3
326.14822	7.5
337.10834	10.7
338.11038	0.8
409.15137	2.8
425.23264	2.5
451.18216	0.6
457.13550	1.6
469.17877	1.0
469.23349	1.0
471.15125	1.7
481.16882	3.7
486.16934	0.9
487.19769	1.7
499.18478	1.5
510.63620	0.6
511.19891	1.1
525.19727	0.9
528.18420	8.5
529.20697	10.2
530.21088	1.3
541.19269	5.2
542.19812	1.0
592.18005	4.5
601.22467	1.4
619.23932	6.7
620.24207	1.0
661.24957	25.3
662.25513	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	660.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.3
57.03318	1.2
58.00451	0.7
59.01250	11.7
61.98696	0.5
69.03344	0.6
69.32566	4.0
71.01251	25.1
72.01556	0.5
72.99184	0.9
73.02819	5.4
83.01250	3.9
85.02818	7.8
85.99969	0.5
87.00755	2.6
89.02313	7.1
91.01788	1.0
93.03334	1.4
94.02857	9.7
95.01257	2.5
96.95889	1.3
97.02834	1.3
99.00750	2.2
101.02323	22.6
108.02052	11.2
109.02828	1.2
109.06461	0.4
111.00753	0.4
113.02327	11.8
115.03914	0.4
116.92760	0.5
119.03411	2.0
119.04900	6.8
125.02354	1.3
130.04163	1.5
131.03419	3.6
133.06491	1.6
135.04431	1.0
137.02330	1.1
143.03406	6.3
143.04662	0.5
143.04872	0.5
156.05722	1.0
159.02919	1.4
161.04463	11.3
171.04404	0.6
171.10095	0.6
172.05222	1.2
183.04459	4.7
191.05539	2.7
197.11816	0.9
199.03995	1.3
200.04727	53.3
201.05093	2.9
203.05496	0.9
209.11734	1.8
221.06601	7.4
241.08624	5.6
242.08994	0.5
323.09805	1.8
325.14536	1.4
336.12405	100.0
337.12744	10.3
345.34583	0.5
351.80383	0.5
399.86319	0.4
410.77789	0.5
469.22366	0.5
471.97668	0.4
540.52667	0.4
619.23468	0.7
659.36969	0.7
660.23267	2.6
660.33112	0.5
661.24353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.4
63.48875	0.3
71.01254	3.8
71.58492	0.4
72.99165	0.7
73.02795	0.6
85.02809	0.5
88.28841	0.2
89.02299	2.5
90.05402	0.3
91.05405	0.4
93.03334	0.4
96.95896	1.9
99.00753	0.6
100.95065	0.3
101.02319	1.0
107.04905	3.0
108.02047	2.8
109.02845	2.7
109.06448	0.5
113.02316	0.6
116.92683	0.5
117.03345	0.3
121.02839	2.1
122.03625	1.1
123.04388	0.5
125.02319	0.6
127.03908	0.3
131.03368	0.4
133.02829	0.5
134.03647	4.5
135.04411	100.0
136.04762	3.8
137.02377	0.3
145.02802	0.3
146.03635	0.3
147.04416	8.5
148.05118	0.9
149.04478	0.5
149.05954	0.4
151.03827	0.3
151.88759	0.3
159.04323	0.5
159.76201	0.3
166.02647	0.5
171.10268	0.3
173.06004	0.9
174.06674	0.3
177.05547	0.3
177.09125	10.9
178.09428	0.6
181.05002	0.3
189.09137	33.3
190.09477	2.0
191.05519	1.4
197.11765	0.6
199.13380	0.6
203.10704	14.8
204.11018	0.8
209.11748	0.6
215.10764	0.4
225.11278	0.5
279.08792	0.6
297.09451	0.5
308.60605	0.3
312.66962	0.3
325.14444	9.7
326.14792	0.9
339.10794	2.7
351.10925	0.5
411.12943	0.6
429.13989	2.5
430.14661	0.4
441.14133	0.6
457.13602	0.4
469.18625	0.5
471.15042	22.9
472.15649	2.0
483.15094	6.5
484.15433	0.7
529.20715	2.6
530.21216	0.3
601.22974	2.8
602.23248	0.5
619.23853	5.7
620.24280	0.7
661.24988	19.3
661.34644	0.8
662.25336	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	659.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	1.6
59.01248	6.1
71.01250	3.3
72.99184	0.9
73.02826	1.7
85.02817	2.4
87.00731	1.4
89.02323	1.9
93.03367	1.4
95.01285	0.9
96.95878	5.5
97.02811	1.1
97.06466	1.1
99.00777	1.0
99.67088	0.7
100.80524	0.7
101.02325	2.4
107.04929	2.0
108.02047	1.6
109.02850	1.8
109.06488	1.7
112.56606	0.7
113.02339	1.5
119.04894	1.0
120.01067	0.8
121.02829	0.9
121.06465	0.9
122.03628	30.7
123.04408	2.8
123.08028	0.9
125.02318	3.5
133.06477	1.0
135.04408	7.7
136.05205	8.0
137.02362	3.0
148.05185	1.9
149.02348	1.6
149.05994	2.9
150.06769	5.5
151.03920	2.4
151.07556	47.0
152.07877	2.0
165.01837	2.5
165.05432	1.2
165.09084	3.2
177.01715	1.0
191.05518	2.2
195.06584	1.0
196.03725	0.9
234.46991	0.8
254.34225	0.7
258.92944	0.9
262.01648	0.8
289.07123	2.1
320.99261	0.8
345.22818	11.1
369.13681	1.0
369.68414	0.8
389.25198	1.1
411.18033	1.9
423.27411	1.2
433.15176	1.5
433.29532	2.1
451.30679	15.6
452.30991	2.3
479.30020	3.7
480.30450	0.8
494.68155	0.9
496.30212	1.8
497.30930	32.4
498.31320	4.5
659.36450	100.0
660.36670	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	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82189	0.2
59.01253	100.0
60.01581	0.6
71.58472	0.3
78.95783	0.7
79.95631	0.2
87.76520	0.2
109.60114	0.2
131.12944	0.3
152.99510	0.2
279.23425	0.3
482.94806	0.2
604.90552	0.3
688.16962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08971	0.8
50.90976	0.8
54.71346	0.8
57.03323	1.0
59.01253	100.0
78.95790	1.2
95.89141	0.8
117.29458	0.8
146.94608	0.9
201.09010	0.7
250.18536	0.8
382.42117	0.9
451.65845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52615	0.3
59.01255	100.0
60.01593	1.1
60.71105	0.3
61.98699	0.3
71.16325	0.6
71.54824	0.4
78.95791	1.0
81.39365	0.3
105.27441	0.3
108.16160	0.3
125.91912	0.3
129.69228	0.3
196.33876	0.4
339.85971	0.4
465.28094	0.4
537.75037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.9
59.04927	1.5
63.59188	1.3
68.58610	1.3
69.90182	8.1
71.01258	10.8
72.01546	1.5
75.38694	1.5
83.04813	1.4
93.03304	1.8
105.29982	1.5
109.09474	1.4
119.04929	6.1
125.09637	3.6
131.03679	1.5
141.09108	2.0
143.10602	1.4
145.02879	2.0
154.72316	1.4
161.52667	1.3
164.83530	1.5
171.10194	2.4
173.95129	1.3
183.13838	2.6
200.10555	1.9
201.11156	3.6
207.04146	1.5
207.10208	2.5
208.10623	1.4
209.05783	14.5
209.11780	10.6
211.13342	16.8
212.13690	4.0
225.05243	3.6
225.11314	1.8
227.12863	2.6
237.05273	4.4
238.06100	43.7
239.06889	42.4
240.07133	2.5
257.07053	5.1
269.07077	2.2
270.04993	5.7
271.05002	1.7
272.73056	1.5
277.07382	1.8
284.05908	1.6
291.19675	4.8
298.07227	2.0
309.20709	29.4
310.07321	6.2
310.20883	1.8
311.07837	2.3
323.07898	1.6
329.15292	2.9
331.19235	1.7
333.10193	4.5
347.16302	80.7
348.16675	7.8
365.16812	2.3
401.16553	2.2
411.17221	3.2
438.15619	1.7
439.16507	3.9
453.48868	1.7
461.18338	7.9
479.19675	10.4
511.27908	2.4
530.25726	2.8
547.26013	6.5
548.26685	100.0
549.26898	11.9
562.27856	3.5
639.33484	1.9
657.36987	29.1
658.36755	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	657.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	23.5
59.94340	3.0
61.98697	4.0
71.01254	3.7
73.42109	2.9
79.33734	3.3
86.78545	2.7
87.61725	3.1
109.02769	3.7
121.02811	7.6
125.02338	5.3
150.26172	2.9
157.06516	3.3
171.10416	3.5
183.14288	2.8
205.15898	6.9
209.11780	14.8
211.13397	21.0
222.47484	3.5
229.54442	4.3
241.05014	12.5
242.05719	4.9
255.06598	11.3
277.18100	99.1
278.18390	6.6
311.20099	3.6
335.20248	5.6
361.18185	6.8
379.19135	100.0
380.19400	9.9
421.28738	4.6
502.60104	3.2
658.23541	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	659.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.0
63.76579	0.9
63.96124	1.6
67.82565	0.9
71.01254	9.1
71.57964	1.3
73.02814	2.3
77.53696	1.0
78.95776	11.0
78.98450	5.0
79.94006	0.8
79.95606	7.8
80.96394	66.4
85.02818	1.9
87.00759	2.8
89.02344	0.9
94.97967	15.2
96.95887	1.7
96.96828	1.5
97.02831	1.5
101.02316	3.9
106.97984	3.4
119.04892	0.9
122.97459	6.3
125.02333	3.7
134.97458	6.5
136.99026	1.4
148.99062	5.7
152.98416	5.8
152.99614	5.9
162.19315	0.8
164.98549	12.0
171.00528	4.2
182.99481	1.0
206.99651	4.2
209.11867	1.0
224.98663	1.6
225.00694	17.5
225.02745	1.9
225.11176	1.0
226.00917	1.1
236.63664	1.0
243.01817	2.3
277.21735	4.4
289.07123	1.6
299.04379	7.8
331.11713	0.9
431.21985	1.6
577.26874	100.0
578.27234	15.2
599.24078	1.3
623.34314	3.3
659.25568	2.6
660.26733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97287	0.6
56.14477	0.6
57.03323	1.4
59.01250	12.5
60.81155	0.6
61.98708	3.3
69.03328	0.9
71.01253	8.6
71.45564	0.7
71.45930	1.4
72.99210	0.7
81.03336	2.0
83.01271	1.3
83.04897	7.4
85.02825	2.4
87.00744	1.6
89.02309	5.5
93.03316	1.0
95.04913	1.4
96.95891	2.1
97.06483	1.5
99.00771	2.4
101.02323	7.1
109.06506	1.3
111.08051	2.1
113.02349	3.6
113.25225	0.6
116.92743	1.6
119.03409	1.1
119.04970	1.1
123.04424	4.0
123.08050	0.8
125.02364	2.5
125.09611	2.8
135.04410	1.0
135.08018	1.0
137.09604	0.9
139.03938	1.5
149.04472	1.1
149.05919	0.9
153.05508	4.8
161.04466	2.4
163.07582	0.7
163.11230	3.1
165.09068	0.6
165.12796	1.4
167.14355	0.7
171.10197	10.5
179.05461	0.9
181.12224	1.0
183.13818	5.0
185.11780	1.3
191.05504	1.0
191.10666	1.0
193.12314	1.5
201.11104	0.7
205.15947	1.4
207.10300	0.6
209.11778	100.0
210.12125	14.5
211.13370	80.0
212.13716	5.6
215.14513	0.9
227.12837	13.6
228.13097	1.6
231.13808	0.9
233.15443	8.4
235.08205	2.8
249.14967	5.0
253.09229	10.4
306.07654	0.7
341.24789	1.1
363.02664	0.7
385.23828	2.2
403.25092	7.6
404.25208	0.9
421.26038	9.1
422.26016	0.9
445.21036	1.4
446.25885	0.9
447.22214	2.9
639.33636	5.9
657.34845	36.2
658.26007	0.7
658.35382	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	657.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
57.67342	0.3
58.06139	0.3
59.01250	4.1
69.29118	3.6
71.01252	2.9
72.99187	0.3
73.02824	0.8
80.02555	1.1
81.03327	1.1
83.01249	0.6
83.04899	4.5
84.02026	0.7
85.02825	0.9
87.00741	0.7
89.02315	2.7
95.04884	0.5
97.06496	0.4
98.19821	0.8
101.02323	2.9
113.02329	1.8
119.03443	0.7
125.02367	0.9
143.03429	0.4
145.04990	0.5
146.63898	0.3
151.03871	0.4
161.04446	1.1
163.11197	3.3
164.11530	0.4
165.12807	2.4
167.14397	0.6
171.10234	2.2
179.05478	0.7
181.12250	0.7
183.13824	7.1
191.10703	0.6
193.12364	1.9
199.13329	0.6
209.11778	92.9
210.12115	6.4
211.13341	100.0
212.13680	6.8
225.11377	0.4
227.12854	12.6
228.13168	1.2
235.08195	3.1
249.14977	2.0
253.09274	10.1
254.09605	0.6
369.40933	0.4
385.23724	0.6
403.25015	1.3
421.26196	0.5
445.20712	0.6
447.22580	2.6
463.13867	0.4
621.32635	0.8
639.33447	1.0
657.34814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21303	0.7
57.03324	1.8
59.01249	4.1
66.37307	0.9
67.42300	0.7
68.24654	0.7
70.56254	3.3
71.01244	2.1
71.98159	0.7
85.02819	1.8
87.00771	1.8
93.03319	1.1
93.50522	0.8
95.04926	1.0
96.95882	2.4
99.04412	0.8
101.02319	1.0
107.04919	0.7
109.02851	1.3
109.06524	1.0
113.02310	1.1
121.02855	1.0
122.03623	21.4
123.04425	1.9
123.08038	1.4
123.75004	0.7
125.02306	1.0
135.04414	5.3
136.05206	8.2
137.02362	1.8
137.06053	0.9
137.09610	0.9
148.05168	0.8
149.05971	3.2
150.06738	6.1
151.07561	33.5
152.07813	0.9
163.07635	0.8
164.08311	1.6
165.09091	6.3
171.10152	1.2
179.10710	2.3
191.05609	0.9
193.05084	1.0
193.08571	0.9
201.11171	1.1
209.11882	0.8
275.16577	1.3
293.17551	3.1
307.19260	1.4
329.19708	2.5
336.19427	2.0
343.21323	6.3
344.22012	0.9
351.21741	3.6
394.91006	0.8
413.26907	1.0
431.28149	2.1
449.29047	8.9
450.29297	1.7
477.28601	2.8
494.28723	1.6
495.29428	32.8
496.29916	5.8
513.27045	3.7
555.28137	2.1
657.34906	100.0
658.24310	0.9
658.35242	19.7
658.46454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36310	0.9
57.03313	1.6
59.01248	15.6
61.98703	1.6
69.03318	1.2
69.28236	4.6
69.28654	5.6
71.01249	7.3
80.02570	1.4
81.03338	2.4
83.04893	6.3
85.02797	2.5
85.06483	1.4
87.00761	1.0
89.02306	5.1
95.04893	2.3
96.95892	3.1
97.06475	2.1
99.00742	1.9
101.02329	6.5
111.08078	1.4
113.02322	4.2
119.04885	1.0
125.02325	1.0
125.09602	3.5
135.08084	1.9
137.02393	1.2
145.04980	1.0
147.94844	0.9
149.04504	1.0
161.04477	3.1
163.11163	3.9
165.12762	1.6
167.76669	1.0
171.10184	12.3
172.10680	1.1
183.13860	7.1
185.11771	1.5
191.10596	1.6
193.12242	1.6
205.15877	1.6
207.13908	1.1
209.11771	97.2
210.12091	8.7
211.13342	100.0
212.13649	6.7
215.14261	1.2
221.15375	1.6
227.12830	14.6
228.13080	1.4
229.14371	3.8
231.13972	1.3
233.15413	14.3
234.15782	1.2
235.08133	3.1
249.14995	8.3
253.09337	10.4
341.24487	1.8
385.23831	4.6
386.24252	1.1
393.26831	1.1
403.24747	11.7
404.25299	1.3
421.25928	8.1
447.22348	4.0
621.32709	1.2
639.33655	20.0
640.34192	2.6
657.34772	51.8
658.35101	9.1
668.55231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41174	2.3
59.01250	100.0
59.17949	2.9
61.51616	2.3
63.30186	2.7
63.44253	2.3
78.95795	3.8
88.00108	2.7
104.62930	2.6
121.51414	2.5
141.01593	68.4
177.55070	2.5
185.23761	2.5
209.11797	3.0
211.13461	6.7
271.34442	2.7
275.06293	7.2
279.23398	3.5
293.61230	2.9
537.29108	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	657.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95037	2.1
59.01251	100.0
61.98705	2.9
68.31660	2.1
71.58349	2.4
71.58734	3.0
78.95778	2.3
79.62940	2.1
80.32375	1.9
141.01607	72.0
142.02005	2.3
154.42491	2.3
209.11937	4.7
211.13351	6.2
275.06232	8.5
279.23376	4.6
290.85535	2.2
317.07428	2.3
393.21225	4.9
404.09805	2.2
537.29272	9.0
553.42841	2.5
597.30963	3.1
674.32739	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	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58125	0.6
57.03304	1.0
57.89127	0.5
59.01249	3.1
65.20808	0.4
69.03325	0.4
71.01264	2.3
85.02811	1.0
87.00750	1.2
88.01194	0.4
89.02314	1.0
93.03339	0.6
96.95883	1.4
97.06449	1.4
98.20631	1.2
99.04383	0.6
101.02318	0.7
102.83683	0.4
107.04900	0.9
108.02100	0.6
109.06373	0.5
113.02303	0.5
119.03389	0.7
121.02845	0.9
121.06465	0.5
122.03627	23.3
123.04488	0.8
123.08057	2.6
125.02330	0.6
133.06438	0.7
134.03577	0.8
135.04431	4.6
136.05219	5.2
137.02318	0.8
137.09628	0.6
140.27838	0.5
148.05164	1.7
149.02321	0.6
149.05965	1.5
150.03142	0.5
150.06763	3.6
151.07555	36.1
152.07921	1.7
155.66025	0.5
157.08607	0.6
162.06621	0.5
165.05573	0.7
165.09106	2.8
170.84595	0.5
193.08623	0.7
197.84381	0.5
229.10760	0.7
279.19620	0.6
289.18024	1.0
292.16473	0.6
307.19159	3.2
329.19647	0.8
336.19449	3.6
337.20148	1.0
343.21268	4.1
413.26926	3.0
420.95551	0.5
431.27774	2.2
449.29141	7.9
450.29596	1.2
477.28442	3.5
478.28668	0.7
494.28769	1.5
495.29626	29.1
496.29858	4.2
615.29065	0.6
657.34918	100.0
658.25421	0.8
658.35217	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.4
69.03339	1.3
69.41705	8.1
69.42113	2.7
71.01250	3.8
79.27673	1.1
81.03314	1.9
85.02827	3.1
88.80987	1.1
90.12035	1.2
92.20833	1.0
93.03343	2.1
95.01264	3.2
95.48278	1.2
96.44247	1.1
96.95910	1.4
101.02347	1.6
107.01327	2.0
108.02058	51.9
109.02855	16.0
111.00786	1.8
113.02314	1.3
121.02843	4.9
123.00809	5.4
123.04412	1.9
124.01582	2.0
125.02334	5.0
127.00237	1.9
135.00764	2.0
135.04379	1.3
136.98697	1.8
137.02365	4.4
139.00279	2.2
139.03906	4.5
149.02367	3.3
151.00272	1.4
151.03902	3.3
152.01062	54.5
153.01863	15.5
153.05467	3.5
154.02699	1.2
155.03444	1.3
159.75044	1.2
161.02315	1.6
163.03893	1.5
165.01825	1.7
165.23021	1.3
166.02589	2.7
167.03406	2.5
168.00555	3.0
169.01224	1.6
175.03958	1.4
177.01826	1.3
181.01350	2.8
181.05009	2.3
182.02170	5.1
183.02922	15.5
191.05545	3.1
197.04486	9.9
206.08167	1.7
287.06235	1.3
289.07040	1.5
312.04910	1.4
315.07236	3.5
326.06531	1.8
327.07104	6.1
341.08768	7.2
357.13388	2.4
405.15503	3.1
451.12424	1.9
495.11456	100.0
496.11957	8.8
510.93289	1.2
537.12567	3.2
594.22198	1.5
657.16718	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	657.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52629	0.5
55.81908	0.5
69.55484	4.7
71.01258	2.0
75.27032	0.5
85.02829	2.2
89.56719	0.5
94.68737	0.5
99.00751	0.7
101.02296	0.9
108.02053	66.4
109.02855	21.4
110.03178	0.7
113.02314	0.9
121.02823	1.0
123.00784	1.4
123.04469	0.8
129.71576	0.6
133.02870	0.6
136.78999	0.7
151.03926	1.6
152.01057	59.9
153.01851	24.6
154.02129	0.6
163.03886	1.6
165.01843	2.1
191.05432	1.4
315.07214	100.0
316.07596	7.4
326.58218	0.6
422.60895	0.6
460.76785	0.7
460.84219	0.6
577.30365	0.6
680.16913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96375	0.4
53.48334	0.4
55.01761	2.3
56.12229	0.5
57.03333	1.0
57.97437	71.1
58.00465	1.2
59.01252	100.0
60.01587	1.0
60.15508	0.5
62.58924	0.4
69.03329	1.2
70.44853	0.5
71.01253	33.0
72.99185	2.1
73.02821	18.7
75.00784	0.4
81.03329	0.6
82.33515	0.4
83.01266	4.0
83.06020	11.8
84.98538	0.6
85.02819	14.1
87.00754	2.8
89.02314	12.5
92.04917	2.3
95.01254	2.4
96.56725	0.5
96.95851	0.9
97.02832	3.2
98.19750	1.0
99.00759	23.1
101.02322	18.6
101.02995	0.9
105.27034	0.5
111.00768	0.9
113.02331	17.5
119.03386	1.4
120.04475	0.7
121.02850	0.7
125.02370	3.7
127.26406	0.5
130.03221	3.4
131.03395	3.5
136.02185	1.4
137.02339	1.2
143.03406	2.1
149.04475	3.0
155.03496	0.7
155.11801	6.0
159.02881	1.4
161.01685	8.4
161.04459	7.9
170.03853	27.4
171.04184	0.6
177.10342	0.7
183.23274	0.5
189.10249	4.3
191.05528	4.9
203.05530	1.2
204.02287	7.7
205.03134	6.5
209.11766	0.5
219.11319	1.6
221.12875	0.5
247.07820	51.9
248.08325	3.2
252.65047	0.5
288.46228	0.5
299.16168	3.0
317.17169	17.2
318.17419	1.1
334.09613	1.5
359.18234	21.5
360.18604	1.5
397.14267	1.9
406.11664	4.1
408.15067	1.5
416.16376	1.0
424.12839	9.3
431.20300	8.6
432.15182	0.6
432.20444	0.8
439.15341	3.9
449.21448	13.3
450.16110	3.0
450.21384	1.0
456.12296	0.5
466.13849	20.6
467.13885	1.8
478.22525	0.6
482.19193	0.6
491.22437	34.6
492.22763	3.8
524.20721	1.0
529.18628	1.6
571.19568	6.3
572.20044	1.0
596.22742	1.7
614.23853	27.3
615.24060	3.0
656.24933	21.0
657.25366	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	655.37
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03324	1.7
59.01253	6.9
61.98702	2.2
69.42255	6.1
71.01270	3.5
72.99179	1.0
73.02818	1.3
77.45486	0.9
83.01252	0.9
85.02826	1.5
87.00748	1.4
89.02337	1.6
93.03360	1.6
96.95876	1.9
98.19797	1.4
101.02328	1.7
104.53152	0.7
109.06487	1.0
111.04419	1.1
113.02354	1.7
121.06466	2.1
125.02335	1.5
125.09624	1.9
133.93657	0.7
135.04424	2.3
135.08096	1.1
136.05212	36.9
137.02299	2.6
137.05840	1.0
137.09610	0.8
147.08049	1.3
149.05992	7.5
150.06764	5.6
151.07527	1.1
162.06819	1.3
162.99678	0.6
163.07582	1.9
164.08330	3.2
165.09137	33.7
166.09454	0.8
171.10201	4.7
180.58589	0.7
182.28238	0.7
185.11694	1.1
207.10135	1.2
209.11769	14.4
210.12091	1.2
211.13307	2.2
225.11171	1.5
227.12787	3.7
253.09235	1.3
271.67035	0.7
327.21786	17.0
328.22223	1.4
348.87497	0.8
350.20996	1.0
383.47272	0.8
401.23264	2.1
419.24210	1.6
432.28638	2.1
447.31021	6.4
475.30554	6.2
492.30966	3.7
493.31760	34.8
494.32068	4.4
507.33218	1.6
523.76263	0.7
535.32733	1.9
578.36603	0.9
620.60529	0.9
637.32129	4.1
655.37030	100.0
656.37311	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	655.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03307	2.7
59.01255	26.4
65.03815	2.1
70.73791	2.2
70.74120	5.0
71.01253	17.8
73.02814	3.9
77.09924	1.9
80.21381	1.7
81.03351	2.9
81.98619	1.7
83.04901	4.9
85.02825	7.6
87.00753	3.3
89.02305	8.6
95.04909	7.6
97.02832	7.6
97.06477	3.6
99.00717	3.1
100.31950	1.7
101.02323	15.2
104.37949	2.3
107.04937	2.1
109.06479	23.7
113.02342	8.1
119.03410	2.9
121.06488	4.5
125.02343	3.6
125.09605	3.3
135.08075	2.4
142.02643	2.0
143.03416	4.1
149.09589	3.2
155.10744	2.3
161.04448	3.2
163.11195	19.3
165.12746	2.2
171.10178	35.0
179.05499	3.3
181.12314	5.6
183.10240	5.8
183.13818	10.9
185.11734	8.0
189.09120	4.8
203.14488	3.6
207.10207	64.9
208.10599	3.4
209.11784	66.6
210.12152	4.0
211.13347	100.0
212.13638	5.5
223.13312	3.5
225.11292	55.1
227.12811	6.0
229.12337	3.5
235.08173	8.7
237.14943	4.1
247.13431	15.1
249.14903	2.5
251.12831	4.0
253.09253	15.3
253.14482	3.1
257.17773	3.5
265.14478	6.4
339.23465	3.5
355.22919	4.1
357.24393	4.7
372.86655	2.2
373.23935	7.1
375.25482	3.3
383.22278	15.5
391.24948	9.6
401.23294	29.7
409.25760	4.3
419.24323	13.5
437.25378	2.9
443.19080	6.9
447.22327	2.8
461.20306	14.2
501.23532	2.3
609.32538	4.7
619.31659	6.2
627.33765	5.7
628.34076	2.8
637.32239	47.0
638.32910	7.3
655.33093	49.4
656.33807	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	655.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52605	4.3
59.01253	100.0
71.01253	5.0
81.69813	4.1
97.02872	8.4
101.00857	5.3
141.01631	54.9
141.05338	4.6
198.50667	5.1
207.10208	9.4
211.13345	17.1
225.11359	5.5
275.06216	18.8
277.21643	8.0
288.11957	4.7
380.42065	4.5
419.28146	6.7
469.29745	4.0
535.27405	14.7
655.34381	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	655.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45747	1.5
57.84435	1.3
59.01254	100.0
61.98721	4.2
62.03875	1.3
70.88035	4.3
71.01250	1.9
79.36664	1.5
95.01235	1.5
109.06454	1.4
121.91465	1.7
141.01601	66.3
207.10294	7.2
209.11775	4.7
211.13374	11.3
225.11301	4.4
253.09386	2.2
274.51221	1.8
275.06244	3.2
277.21686	2.5
314.62198	1.7
398.55627	1.5
401.23370	1.9
465.52246	1.7
637.32721	3.3
655.33362	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	655.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.4
59.01256	33.9
69.03328	1.5
69.11978	1.3
69.56606	3.3
69.57008	8.8
71.01257	38.3
72.32398	1.3
72.99184	5.2
73.02828	11.7
75.00743	7.0
83.01258	5.8
84.94986	1.6
85.02826	8.9
87.00761	5.3
89.02322	25.7
93.03335	3.3
95.01277	2.3
96.95902	4.9
98.02381	1.6
99.00758	19.1
99.04433	2.4
101.02324	20.5
108.02060	2.2
108.63558	1.5
109.02841	27.7
111.00726	2.0
113.02316	7.7
119.03380	2.6
121.02839	7.2
122.03673	7.1
123.04416	9.1
125.02382	7.3
127.85612	1.4
129.01842	3.2
131.03401	4.0
134.03598	1.7
135.02803	2.2
135.04401	2.6
137.02318	5.0
143.03377	2.8
147.04404	6.3
149.02370	1.9
149.04485	12.3
149.05576	2.2
150.03137	2.3
151.03926	6.6
159.56305	1.5
161.02383	4.8
161.05940	1.8
163.03857	2.3
165.05496	18.0
177.01868	14.7
179.07031	6.2
189.01869	28.3
190.02621	4.4
191.03456	6.3
191.05531	10.8
191.07036	2.4
193.05031	2.0
197.93922	1.4
203.03430	3.6
209.08237	3.1
216.00558	4.8
217.01378	20.6
218.01982	1.7
218.28484	1.5
219.02901	5.5
223.06067	2.9
231.02933	6.2
233.06685	2.6
251.07831	1.6
283.10626	1.4
303.73953	1.5
313.14645	2.1
315.12271	2.2
323.05316	1.8
328.13107	2.9
341.06662	47.8
342.06879	5.4
343.15649	2.7
346.14056	4.3
347.14899	7.2
361.16623	39.3
362.17099	1.9
389.25784	2.3
407.26666	7.9
431.81186	1.5
433.14841	2.3
451.10376	41.6
452.10666	4.3
523.21820	22.2
524.21674	2.6
545.13269	2.3
611.30511	2.7
655.17328	4.8
655.26074	100.0
656.16974	2.2
656.26428	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	654.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00936	1.2
51.84605	1.0
54.38635	1.4
58.02849	43.2
59.01249	5.7
71.01274	2.6
71.57498	2.2
71.57887	1.7
74.34509	1.1
85.02876	1.3
93.03324	1.3
96.63223	1.2
96.95902	2.0
119.84989	1.1
121.62846	1.2
125.02338	2.7
135.04411	2.2
147.04451	2.8
151.03914	1.6
164.07097	32.5
169.01350	1.9
191.05609	2.6
196.03850	1.2
206.08177	100.0
207.08516	4.9
279.79733	1.1
287.10263	1.6
307.00354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1885
Annotation	Hellicoside
Peak:m/z	Relative Intensity
58.02845	4.2
58.19652	2.5
58.68660	2.2
59.01247	9.8
62.36392	2.1
68.15139	2.3
71.01234	13.9
71.57711	2.6
71.58162	3.4
79.02813	2.3
83.01254	3.6
85.02834	5.6
89.02309	3.2
89.49286	2.1
93.03345	19.2
96.95891	7.0
99.92398	2.3
101.02317	11.1
109.02824	2.3
109.85621	2.3
113.02360	5.3
116.92734	19.8
117.01775	3.4
123.00799	2.2
123.04410	21.4
124.01581	2.6
125.02404	3.3
133.02875	2.6
133.05034	2.4
134.03635	3.4
135.04440	2.7
136.01573	2.9
137.02347	78.7
150.03069	5.0
151.03917	65.5
152.04716	25.8
166.02798	2.1
167.07002	4.0
178.02641	13.5
179.03415	2.4
191.05531	6.4
193.04961	18.1
195.02905	5.4
196.03705	55.4
197.04207	3.4
206.08195	5.8
207.08394	3.3
211.06018	10.8
213.12144	2.4
233.70255	2.3
281.06613	45.7
345.45901	2.6
475.12445	36.9
476.12888	4.2
478.12134	3.0
493.13531	100.0
494.13809	10.0
518.05768	2.7
655.18762	45.3
656.19055	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	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15066	0.2
51.88116	0.2
51.98335	0.2
55.01763	1.7
57.03313	1.1
58.00468	2.1
59.01254	49.3
60.01567	0.5
68.99686	0.5
69.03328	2.6
71.01257	36.2
72.01589	0.6
72.99189	2.3
73.02818	6.7
75.00756	0.8
81.03329	1.7
83.01262	4.5
85.02827	8.2
85.03352	0.4
87.00754	9.8
87.04400	0.6
89.02320	32.2
90.02654	0.5
91.03890	0.6
92.49033	0.2
95.01270	2.4
97.02829	6.9
98.19815	0.6
99.00756	2.5
99.04424	0.3
101.02324	30.1
102.02702	0.4
109.02855	1.0
111.00771	0.5
111.04414	1.2
113.02337	15.0
115.03898	0.7
119.03399	10.3
121.02852	0.3
124.06787	0.3
125.02347	13.3
126.02676	0.4
127.03931	0.7
131.03415	1.6
133.04958	1.0
139.03911	1.3
141.01862	0.4
143.03413	5.6
149.04469	1.0
153.01506	0.4
161.04475	7.4
167.03424	1.2
169.04970	0.4
173.04547	0.3
179.04391	0.2
179.05536	6.4
185.04454	0.8
199.06113	0.6
203.05528	0.6
217.07164	1.2
221.06598	2.1
235.08202	14.2
236.08643	0.6
237.22232	0.4
245.06696	0.9
253.09290	3.6
255.23276	100.0
255.88374	0.3
256.23615	6.8
263.07721	1.0
269.24918	0.8
277.09219	0.7
287.07721	3.6
288.07809	0.3
305.08798	3.3
323.09756	1.3
361.11472	0.4
372.97946	0.3
379.12531	1.4
397.13498	73.0
398.13785	5.6
415.14569	28.6
416.14847	1.7
512.99670	0.3
522.79865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76241	0.2
55.01765	1.9
57.03327	1.6
58.00472	2.3
59.01255	43.7
60.01577	0.5
60.48735	0.2
64.79234	0.2
67.01776	0.5
68.99681	0.7
69.03341	2.3
71.01257	39.7
71.04913	0.2
71.54827	0.3
72.01608	0.3
72.99182	3.3
73.02824	6.5
73.03244	0.3
75.00745	1.1
78.95790	0.4
80.96371	0.2
81.03338	1.5
83.01263	5.0
83.04885	0.3
85.02827	8.6
85.99976	0.3
87.00221	0.5
87.00755	9.4
87.04356	0.3
89.02322	33.2
90.02660	0.6
91.03880	0.9
93.03336	0.5
95.01270	2.8
97.02834	7.2
99.00749	2.2
99.04414	0.5
101.02328	31.6
102.02649	0.8
103.00259	0.4
103.03891	0.3
109.02838	0.8
111.00789	0.6
111.04400	1.1
112.01548	0.4
113.02337	15.3
114.02641	0.3
115.03897	0.8
119.03398	9.7
121.02863	0.8
123.00761	0.4
123.04385	0.5
124.01540	0.5
125.02345	14.1
126.02691	0.3
127.03879	0.5
131.03397	1.5
133.04947	1.3
137.02310	0.3
139.03918	1.3
141.01823	0.6
142.02635	0.2
143.03407	6.2
149.02382	0.2
149.04463	1.1
157.04991	0.3
161.04469	7.5
162.04791	0.3
167.03427	0.6
169.04965	0.3
171.02861	0.3
179.05533	6.9
181.05142	0.2
185.04453	0.6
199.06104	0.4
203.05617	0.4
217.07118	1.4
219.05037	0.5
221.06590	2.4
235.08208	13.3
236.08611	0.6
237.22163	0.5
245.06621	1.0
253.09241	3.2
255.23279	100.0
256.23630	8.8
263.07782	1.5
269.24942	0.6
277.09305	1.1
287.07730	3.6
305.08762	4.0
323.09811	1.6
361.11447	0.6
379.12360	1.2
397.13507	75.9
398.13803	5.7
415.14584	29.9
415.19000	0.5
416.15063	2.5
571.28638	0.7
572.29199	0.3
618.14124	0.3
658.88690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.6
61.98712	0.6
70.90914	0.3
70.91254	0.8
71.01249	0.7
73.02836	0.7
75.00738	1.2
85.02834	0.4
88.98679	0.4
89.02316	0.7
89.03828	0.4
91.05417	0.5
93.03334	1.1
99.47945	0.3
101.02332	0.7
106.05225	0.3
113.02332	0.4
117.03343	0.8
119.04919	0.9
121.02839	9.3
127.56992	0.3
132.02061	1.0
134.03615	0.5
135.04407	1.5
136.01532	0.3
137.02373	0.4
147.04408	4.2
149.02345	59.9
150.02716	2.5
151.03851	0.4
163.03938	1.7
164.04701	56.2
165.05003	2.1
175.00342	0.8
179.05647	0.6
179.07050	5.6
179.10669	0.5
190.02727	1.8
191.05591	0.3
205.04996	1.0
209.11812	0.8
223.06068	100.0
224.06407	4.9
241.45561	0.4
244.97409	0.3
279.02838	0.4
376.24789	0.3
386.15543	0.3
491.30038	0.6
542.18445	0.3
569.39844	0.4
653.27771	4.8
654.27905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02556	2.0
58.02848	41.8
59.01255	4.2
70.91601	2.8
71.01254	1.4
74.37104	0.9
74.79624	0.9
85.02827	1.0
89.02367	0.8
90.08687	0.8
90.89968	1.0
92.50549	0.9
96.95926	1.8
113.02393	0.9
147.04407	5.2
164.07079	32.5
181.56380	1.0
191.05605	1.5
206.08168	100.0
207.08534	5.0
250.07140	1.3
364.01865	1.0
373.69690	1.3
467.53882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05975	1.0
50.86996	0.8
52.32187	1.0
54.82758	0.8
56.94029	0.8
59.01252	10.9
63.44359	0.8
63.96107	2.3
66.64717	0.8
71.01259	12.2
71.57872	0.8
72.99177	4.5
73.02815	6.2
83.01257	2.5
85.02836	3.7
86.02358	1.0
87.00761	1.3
89.02315	4.7
93.03357	1.1
95.01270	1.0
96.95891	6.6
99.00761	13.1
101.02315	7.2
101.90670	0.8
108.02044	1.4
108.38495	0.9
109.02837	1.7
113.02334	4.7
121.02842	3.3
122.03638	1.2
123.00785	1.3
123.04387	2.1
124.01558	1.1
125.02335	2.4
131.03407	1.4
135.04411	1.6
135.98247	3.6
137.02351	3.5
139.79893	0.8
143.03389	1.9
145.95828	0.8
147.04402	3.0
149.02341	3.6
150.03125	7.2
151.03905	2.4
152.01062	1.3
158.03674	2.1
159.04451	9.2
160.05206	27.1
161.04462	2.3
161.05946	7.1
163.03900	6.3
164.04701	7.5
165.05513	2.5
167.03377	1.0
173.05997	2.7
175.07562	22.1
175.09021	1.7
176.01175	4.5
176.04675	1.4
176.07971	1.1
177.05510	7.9
178.06325	5.7
179.07074	2.8
191.03438	12.0
191.05524	4.5
193.08640	3.1
195.06612	2.7
223.00739	1.0
223.06065	1.5
293.08762	1.6
314.11508	1.2
315.12427	2.6
329.13940	100.0
330.14334	8.0
359.14999	15.9
360.15384	1.3
405.24918	1.4
521.20245	1.1
533.16492	0.9
609.31158	3.0
653.24615	39.9
653.35248	2.0
654.24689	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	651.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81389	1.7
53.33015	1.6
54.43362	1.8
58.31493	1.8
59.01244	4.7
59.55857	1.9
65.03829	3.2
66.68526	2.0
71.01266	2.9
71.58531	2.5
79.90693	1.5
91.05410	13.9
93.03320	4.8
97.25886	2.0
101.02283	2.2
107.04892	3.2
108.02013	2.1
109.02831	23.9
109.85838	1.6
119.04922	9.6
121.02854	27.1
122.03591	2.9
123.04382	2.4
125.09602	2.2
133.02855	2.1
134.03639	6.1
135.04417	100.0
136.04739	2.8
147.04408	24.6
148.05180	2.8
161.05981	21.1
166.02631	2.8
168.23834	1.9
170.64024	2.0
171.10130	2.5
173.05977	7.6
177.09152	17.8
189.09140	47.0
203.10706	45.7
215.10695	6.0
319.13708	2.3
323.12790	2.1
325.14417	41.8
326.14694	5.0
327.16034	3.2
337.14600	1.8
351.16116	11.7
363.16080	4.3
461.19678	24.9
473.19669	6.0
520.19226	2.2
531.24091	1.9
541.25812	7.9
642.59625	1.8
651.29535	21.5
673.84845	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55826	3.1
59.01253	6.1
70.17795	11.5
78.08370	3.2
98.20468	3.4
98.26763	2.6
152.87149	2.5
159.59210	2.7
173.40002	2.8
299.20154	100.0
300.20572	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	651.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
59.01255	10.6
67.71867	0.6
71.01255	13.8
72.99183	1.3
73.02827	6.6
73.93995	0.6
74.76025	0.6
76.27802	0.6
81.36102	0.6
83.01269	1.5
85.02840	5.1
87.00742	1.5
89.02314	5.8
93.03335	1.1
95.01257	0.9
96.95894	4.6
99.00771	16.8
101.02334	9.4
101.02988	1.1
108.02057	1.3
109.02836	1.9
113.02344	5.9
119.04886	2.1
121.02842	6.7
122.03656	2.0
123.04394	0.9
124.01548	0.8
125.02315	1.5
131.03416	1.6
134.03651	1.7
135.04405	1.6
136.01564	69.0
137.02255	2.8
138.05331	0.7
143.03394	1.8
147.04465	0.9
149.02295	2.2
149.04465	1.0
149.06047	1.7
150.03215	0.9
151.03917	100.0
152.04221	4.3
159.04466	0.7
160.05194	2.5
161.02333	1.1
161.04446	3.6
162.03139	1.6
163.03905	1.9
164.04716	1.3
167.07074	1.6
172.84215	0.7
175.03938	1.9
175.07570	1.6
176.04608	1.6
177.05438	1.7
179.03339	1.2
191.05554	4.6
191.07115	2.2
193.04996	0.7
203.07112	0.8
223.06059	1.7
241.08698	0.7
272.09039	0.9
277.75128	0.8
293.08768	2.3
327.12350	6.2
339.12381	5.5
342.11148	5.7
343.11810	2.8
357.13449	69.8
358.13779	5.8
403.14322	1.0
607.28845	0.9
621.22125	2.5
633.22223	3.9
634.22253	1.0
651.23004	38.5
652.23169	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	651.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	65.7
65.00194	14.5
70.73349	10.8
71.01249	37.4
72.99165	5.8
73.02817	19.6
73.80807	3.9
75.00751	6.5
79.95592	3.8
83.01276	12.1
85.02837	13.4
87.00767	5.5
89.02305	25.4
93.03345	15.0
96.95884	32.3
98.95452	6.7
99.00758	24.7
101.02319	21.7
107.01292	19.8
113.02323	15.8
117.03392	7.7
119.03429	5.9
119.04911	71.5
121.02860	5.6
123.04378	5.7
125.02346	30.1
131.03394	6.4
132.04420	4.0
135.04391	7.6
137.02376	10.0
145.02843	20.6
147.04407	10.2
149.02306	6.1
149.04456	15.7
150.03130	8.3
151.00279	100.0
151.03896	10.0
161.04660	6.8
161.05984	19.1
165.01820	7.7
169.01326	6.4
177.01836	10.4
178.65959	3.5
191.05519	16.1
191.07100	5.5
215.12872	5.3
223.06136	4.3
267.10315	21.4
268.31754	4.1
271.06134	52.4
339.12134	5.6
357.13580	4.5
403.23010	5.9
447.16553	34.1
487.11023	24.2
489.17294	4.6
607.16602	69.1
608.16937	9.0
644.59479	4.1
651.22876	14.3
651.35638	4.9
669.22272	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	651.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45525	3.8
57.03314	4.1
59.01250	62.7
59.37642	3.8
61.88188	3.4
65.00192	12.0
71.01248	36.7
71.58868	6.5
72.99209	4.6
73.02823	16.2
75.00793	3.8
80.47596	4.0
83.01262	17.6
85.02834	13.3
87.00758	5.4
89.02328	25.6
93.03346	16.4
95.01251	4.7
96.95898	33.5
98.95497	4.3
99.00735	22.1
101.02345	19.9
107.01265	23.1
108.02112	3.6
109.02814	5.5
113.02332	18.9
119.03497	8.0
119.04910	70.0
121.02847	7.6
123.04403	5.3
125.02328	28.9
135.04408	9.9
137.02364	8.7
143.03336	4.4
145.02823	21.6
147.04413	14.8
149.02362	5.6
149.04453	9.6
151.00279	100.0
151.03914	12.2
152.00833	3.5
153.17923	4.2
161.02342	4.3
161.04518	10.1
161.05988	24.5
163.03914	4.9
165.01808	6.4
165.05577	7.0
167.03401	5.4
177.01897	8.5
181.04967	3.9
187.03928	6.7
191.05531	12.3
217.64235	4.4
223.06113	6.2
267.10361	23.6
271.06137	49.6
272.06470	6.6
318.66788	4.9
343.21069	4.8
353.10211	5.9
387.14560	11.0
403.23502	8.6
447.16504	35.0
487.04422	4.1
487.10565	23.4
489.17996	7.0
607.16638	78.4
608.16876	11.8
609.31396	5.2
651.22687	8.0
671.72925	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	649.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
57.03330	1.1
93.03339	18.1
94.03660	0.9
96.36346	0.9
98.19762	1.9
105.06976	3.9
107.04893	1.6
109.02789	0.9
119.04922	100.0
120.05260	4.7
121.02805	1.4
123.04427	1.7
125.02338	1.6
125.09584	1.0
134.03682	0.9
135.04419	48.1
136.04803	1.2
137.05966	0.7
145.50929	0.7
147.04449	1.0
149.05992	33.2
149.07195	1.6
150.06253	1.2
159.04416	0.9
161.05978	2.8
174.42194	0.7
187.07594	6.5
201.09149	17.6
201.11081	1.5
205.08643	32.0
206.08974	1.8
213.09102	0.9
219.10236	9.4
230.70551	0.9
255.10291	1.5
265.08612	1.9
291.19632	1.3
301.05084	0.7
303.15665	0.8
307.13370	7.4
321.17130	1.1
323.12827	3.1
325.14450	58.6
326.14755	4.9
378.12982	0.7
453.16418	0.8
529.22125	3.9
551.19263	0.8
649.28070	36.5
650.28326	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83527	0.5
57.03315	1.0
59.01256	0.6
61.18161	0.5
61.91706	0.5
64.32170	0.6
65.03838	1.1
69.83659	0.6
89.98679	0.6
91.05413	3.4
93.03339	18.8
95.60174	0.7
105.06978	2.7
105.12589	0.5
107.04905	1.7
109.02837	3.3
119.04922	100.0
120.05251	3.2
121.02854	6.7
123.04409	1.9
125.02344	4.2
133.02838	1.3
134.03624	1.1
135.04422	57.9
136.04779	2.3
137.02322	1.1
140.42984	0.6
147.04463	3.0
148.05196	0.8
149.05992	28.0
150.06363	0.9
151.03876	1.6
159.04430	2.2
161.06001	2.7
162.03081	0.7
166.02658	0.6
171.10191	1.0
177.09114	1.3
187.07625	6.0
189.09164	5.8
199.07610	0.8
201.09171	15.8
201.11052	0.9
203.06946	0.7
203.10721	7.0
205.08656	23.7
206.08975	0.9
213.09000	0.8
217.08672	2.3
219.10249	7.7
231.10272	0.6
255.10251	0.9
265.08743	1.9
279.23203	0.8
281.08319	2.8
289.07214	2.2
289.18234	1.0
293.08133	0.7
295.22672	0.6
307.13382	6.5
307.19098	1.4
309.15033	2.1
321.17059	0.9
323.12799	4.0
324.13312	0.8
325.14456	48.6
326.14740	5.0
335.13193	0.8
338.15308	1.1
339.12396	3.6
341.23352	2.0
468.19400	0.8
471.18274	1.0
501.22891	1.8
513.22992	3.9
517.22534	1.2
529.22168	3.9
591.23834	0.7
649.28131	38.4
650.28510	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	649.2805
Annotation	Excelsaoctaphenol
Peak:m/z	Relative Intensity
63.39816	0.7
64.59760	0.8
65.03831	0.8
68.39382	0.8
69.00822	0.7
71.58394	0.9
71.58772	1.2
91.05417	3.7
93.03338	17.9
105.06997	3.4
107.04867	1.1
109.02875	3.8
109.03505	0.9
111.89835	0.8
117.88719	0.8
119.04921	100.0
120.05274	4.5
121.02854	10.6
123.04430	1.3
123.08119	1.2
125.02359	4.8
134.03636	1.6
135.04419	61.8
136.04759	2.4
147.04411	4.5
147.46785	0.8
148.05200	1.2
149.05988	27.5
149.07187	1.3
150.06348	0.9
151.03938	2.5
158.96088	0.8
159.04411	1.3
160.05376	0.7
160.85765	0.8
161.05977	2.3
166.02602	1.3
177.09155	3.5
187.07582	5.7
189.09178	7.5
192.35820	0.9
201.09187	13.5
201.11148	1.5
202.09473	0.9
203.07071	1.0
203.10707	13.7
205.08661	24.0
206.08980	1.3
215.10664	1.4
219.10194	6.5
245.08038	1.0
265.08734	3.8
276.71222	0.8
277.21753	1.6
289.07053	1.5
290.07574	1.1
307.13419	5.5
314.86844	0.9
321.17035	1.4
323.12900	5.1
325.14444	59.1
326.14725	5.4
335.12927	1.8
339.12555	1.6
375.15427	0.9
394.34399	1.0
455.18646	2.5
494.32651	1.0
501.22876	4.2
513.22778	13.9
514.22809	1.8
517.22699	1.0
529.22150	4.4
586.40674	0.9
649.28082	37.0
650.28485	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	649.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	14.9
64.86674	1.4
69.28809	4.2
69.29221	13.1
71.01249	5.4
73.02824	3.8
85.02824	4.7
87.00738	2.1
89.02318	3.7
96.95901	24.4
98.20530	3.5
99.00770	2.8
101.02338	2.4
106.06527	3.6
110.05975	3.5
111.04325	1.6
113.02325	2.3
115.93899	1.6
122.05998	5.9
123.04424	1.5
123.96415	1.5
124.07614	2.2
125.02301	4.5
134.03673	1.4
138.05428	1.9
146.06024	3.0
149.02354	2.8
151.03871	1.8
152.07066	5.6
161.02350	2.2
165.01955	1.7
177.01816	1.9
179.03348	1.6
182.02164	2.9
188.14352	5.3
190.02684	2.2
191.05528	3.0
193.05038	1.9
197.04495	4.6
203.09448	3.0
216.10190	2.2
223.06027	3.8
223.08795	3.6
224.10858	3.6
225.10289	5.8
230.11845	1.9
232.13449	9.4
235.08865	2.7
236.09515	6.4
237.10330	3.7
238.11021	2.8
239.11783	6.0
241.09764	3.1
247.08463	5.7
249.10356	2.1
250.11070	1.7
251.11865	18.6
252.12599	7.6
253.09772	2.2
253.13470	6.3
255.11464	3.8
257.12924	11.9
258.11374	1.7
265.09833	2.3
267.11420	5.3
269.12894	4.1
275.13995	5.7
276.12341	10.1
279.11298	4.3
283.10843	4.2
283.14072	1.9
291.55789	1.7
295.11102	2.2
301.11868	8.2
303.13467	6.7
319.13083	4.8
319.18182	1.9
360.17374	2.6
374.14984	9.4
375.15628	3.9
388.16806	9.5
402.18115	5.3
403.19080	9.4
420.19287	2.0
427.70709	1.8
435.18021	4.6
436.18475	2.4
438.20398	1.8
447.17773	2.2
464.18408	2.4
482.19223	3.1
486.45047	1.5
525.24872	4.8
543.26196	10.0
544.25140	5.7
560.23853	2.5
561.27289	2.8
562.25592	11.0
563.25262	2.1
569.23584	8.1
570.23944	2.0
587.25079	100.0
588.25323	13.9
594.18573	1.8
605.26215	51.7
606.26196	7.6
631.24219	3.0
649.25818	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	649.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31466	2.2
56.09938	2.4
59.00980	4.5
59.01253	41.8
65.03835	5.0
71.01268	19.2
72.99197	4.1
73.02818	10.8
80.04922	5.1
83.01267	4.0
85.02847	8.4
86.07996	2.5
87.00728	5.1
89.02311	10.6
91.05423	18.2
93.03347	8.6
94.06499	4.7
95.04892	2.9
96.95901	14.3
98.35014	2.4
99.00759	10.3
101.02320	8.9
106.06495	26.0
108.08069	9.6
109.02142	4.1
109.02837	36.5
113.02308	7.3
115.74310	2.4
116.74303	2.7
119.04897	11.4
120.08102	7.0
120.65524	2.5
121.02849	70.6
122.06007	23.0
123.04431	5.3
124.07549	9.5
125.02327	4.3
133.02806	3.2
134.03609	8.2
134.05986	8.5
135.04417	100.0
137.02306	4.8
138.05504	5.1
146.06071	3.3
147.03510	2.1
147.04442	20.6
148.04008	6.1
148.07549	4.2
149.02342	3.4
149.04445	4.7
150.03094	4.0
150.05525	3.6
151.03923	3.5
152.07095	38.0
157.10066	3.2
161.02356	4.6
161.04456	5.9
162.03114	7.9
162.06763	2.8
164.07111	4.7
168.06508	4.2
179.03392	2.6
180.06584	2.8
186.12781	5.1
190.02643	5.1
190.06339	3.0
191.05502	6.5
191.07031	3.8
195.79324	2.6
196.06071	30.9
203.07077	4.6
204.07809	8.4
205.04924	8.3
205.08588	15.0
209.06380	3.4
210.06705	3.6
217.08656	77.8
218.09061	5.0
218.65651	3.5
219.10202	24.2
225.13947	3.0
227.08270	3.5
227.11827	8.6
228.10312	5.4
229.08661	7.8
230.11635	6.1
232.11043	11.9
233.11597	3.4
237.05833	7.4
238.06015	4.7
239.05544	3.2
239.11790	7.6
243.11462	3.7
243.49136	3.3
245.11874	6.4
253.09740	6.5
254.10530	3.0
255.11363	26.0
257.12924	25.7
265.97855	3.1
267.11322	2.7
269.12894	8.1
270.75677	2.7
271.14389	3.8
272.14905	3.2
274.10693	3.2
281.12906	4.0
283.10947	10.2
283.14185	2.9
285.12546	14.4
295.10938	7.8
297.12344	3.9
299.10471	5.5
299.14188	4.2
301.11932	9.0
303.13309	5.4
313.11780	2.9
339.12195	12.7
339.25244	3.2
343.12918	12.8
354.14798	20.2
355.15213	6.2
357.11768	3.7
358.11911	5.3
376.20322	4.7
383.24530	6.5
401.25549	23.1
448.18716	10.3
450.20218	10.8
492.17630	12.0
494.19330	14.1
513.19849	22.8
517.73291	3.0
525.25238	16.2
527.21313	9.2
538.20618	3.1
544.16260	3.0
544.24414	15.3
562.18243	11.9
569.23987	49.7
570.24384	10.1
587.25073	65.8
588.24799	14.9
613.23297	5.0
631.23602	21.8
649.24927	77.8
649.35052	5.8
650.25146	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	649.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	5.3
59.01253	48.0
63.96107	10.6
69.03332	3.8
69.36633	34.8
71.01255	31.7
71.22103	3.1
72.99200	4.3
73.02831	11.8
78.98467	32.5
80.98020	4.1
83.01246	4.1
83.04935	4.9
85.02829	14.2
87.00782	8.5
89.02306	30.3
93.03342	14.1
96.95896	48.2
99.00767	14.0
101.02321	15.6
104.04453	3.6
107.04978	3.7
109.02833	8.8
113.02332	11.6
116.92759	4.6
119.03446	5.6
119.04918	92.5
121.02843	4.6
122.05994	4.6
123.04413	3.5
125.02341	10.7
128.03404	3.9
134.03676	4.7
135.04437	10.2
136.07565	4.5
137.02356	12.1
145.02744	3.7
149.02341	7.8
149.04466	3.9
150.03116	7.7
151.03932	9.7
160.05212	6.3
161.02364	6.2
161.04468	6.3
162.03130	8.2
163.03928	10.6
165.42508	3.4
173.05983	6.1
175.03920	11.4
175.07634	9.6
176.04611	5.1
177.01878	4.4
179.05469	3.5
185.06033	6.7
187.07562	9.9
189.05513	4.8
190.06233	4.8
191.05524	33.6
191.06970	5.2
201.05507	5.7
201.09129	9.4
202.06326	4.1
203.07077	64.8
205.08562	8.8
206.05995	3.8
207.06628	7.3
213.09151	3.5
215.07028	25.6
217.08562	4.1
219.06592	9.5
220.07335	4.0
221.08136	20.9
222.08849	6.6
223.09525	4.9
232.07385	11.9
233.08154	96.5
234.08635	4.1
235.09674	31.1
247.09773	4.2
283.33209	3.6
307.13367	31.2
308.13538	4.5
315.64804	3.5
321.11383	5.5
325.14603	4.3
337.14453	12.2
339.12363	100.0
340.12888	13.2
354.14667	59.6
355.15341	19.3
397.16681	7.3
487.19617	11.8
497.16644	99.6
498.16815	10.6
516.18311	11.8
517.19476	14.6
529.19250	29.4
530.19208	5.9
543.20789	10.5
587.25421	7.8
587.34778	4.3
605.25232	4.2
649.16901	4.2
649.25153	44.1
649.33899	4.7
650.25586	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	649.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.9
59.01254	100.0
63.34409	2.1
66.80754	2.6
68.39246	2.4
69.82123	17.1
71.01253	15.8
73.02818	5.6
77.06091	2.2
78.95764	2.3
81.66041	2.0
83.04883	2.9
85.02830	6.8
87.00755	7.7
89.02315	10.3
93.03329	7.4
96.95895	88.9
98.02377	3.5
98.95462	2.6
99.00732	4.9
101.02324	9.1
107.04910	2.9
108.68736	2.4
109.02815	3.1
113.02350	7.4
119.03401	3.0
119.04924	36.4
121.02888	3.5
123.04406	2.5
125.02322	8.7
133.04961	2.8
134.03656	15.7
135.04445	6.8
135.11615	2.4
137.02347	4.4
151.03899	5.6
151.05948	3.1
152.04645	2.5
157.06401	2.7
161.02333	4.7
161.04503	3.2
161.09726	5.8
161.13246	8.5
163.11143	4.8
164.01070	2.8
165.01891	2.8
175.03865	3.1
175.07523	4.6
177.01746	2.5
179.06987	2.7
187.07535	4.4
187.11223	10.1
189.09151	16.4
191.05496	7.2
192.15097	2.6
193.05005	19.7
205.08662	32.7
205.10477	3.8
205.12282	6.8
207.10211	6.5
219.10262	6.0
223.13351	50.1
249.11339	12.8
267.12366	24.6
289.07391	3.8
295.10382	3.7
325.11014	4.2
325.14444	40.8
326.14670	3.2
348.54688	2.4
355.15433	8.8
371.11365	3.2
383.11487	5.8
487.19595	10.2
545.25098	2.5
587.24994	5.2
605.24573	57.6
606.25189	9.0
621.81372	2.6
649.17035	4.4
649.26141	3.6
649.34888	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	647.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28588	2.4
59.01254	5.9
67.01757	8.3
68.08292	2.8
71.01266	5.1
81.13893	2.5
85.02837	10.6
87.00758	10.5
93.03340	50.3
95.51423	2.7
111.04419	7.1
119.04935	3.1
124.01596	5.9
125.02313	3.4
133.02838	7.6
134.03638	11.8
135.04425	69.8
137.02348	4.4
150.03047	3.9
151.03917	8.8
160.01591	3.3
161.02376	7.5
173.04419	29.3
178.02647	3.2
179.03447	17.0
191.05544	100.0
192.05856	3.5
265.05264	3.0
308.08990	11.5
347.85489	3.2
351.07254	4.7
352.07849	7.7
411.25534	11.3
429.26492	7.1
455.24420	18.1
456.24762	4.4
456.64944	2.7
591.17773	3.3
647.30780	33.9
648.31274	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	649.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13270	0.9
51.28983	0.9
57.03321	1.2
59.01244	2.0
64.33700	0.8
71.59132	1.5
71.59875	1.1
71.82614	0.9
75.39709	1.3
85.02821	2.1
96.95882	1.3
107.04865	1.9
109.02835	1.3
116.92693	1.1
119.04924	6.5
121.02777	1.1
121.78036	0.9
123.04359	1.6
125.02320	1.7
147.04417	1.5
159.04430	1.6
171.04411	1.7
173.05862	1.0
185.05927	2.0
187.07512	1.0
191.01866	3.1
199.03903	1.1
201.05470	1.3
211.03961	2.4
213.05652	1.7
225.05501	3.1
227.03329	1.6
237.05502	1.7
239.03473	1.9
239.07129	2.4
241.05009	3.3
248.13341	1.0
253.04997	1.3
255.06534	2.0
256.03745	3.8
261.08865	1.1
263.07196	1.3
269.04556	33.7
270.04858	3.5
281.04602	29.6
281.07928	2.7
282.05042	2.3
295.09625	2.7
309.07663	4.8
323.09238	100.0
324.09958	47.1
325.10641	9.5
431.11166	2.3
443.11484	3.6
579.12738	3.5
580.13672	8.5
581.14032	1.7
612.13031	1.6
649.20868	10.0
650.20734	2.0
653.13702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25677	0.2
52.24728	0.2
56.43831	0.2
59.01240	1.0
71.01266	0.5
72.20686	0.2
76.19090	0.2
81.03347	0.2
85.02826	5.6
87.00740	1.6
88.86841	0.2
92.16548	0.3
93.03345	2.5
99.04385	0.4
111.04376	0.7
119.04919	0.4
120.66257	0.2
121.02892	0.3
127.03891	1.7
132.02113	0.3
133.02859	3.7
134.03622	0.7
135.04417	9.9
136.04822	0.5
139.11211	0.3
153.01825	0.3
155.03383	0.3
161.02357	18.4
162.02699	0.7
171.03029	0.3
171.10239	0.5
173.04443	1.9
179.03435	5.4
191.05551	100.0
192.05890	3.2
201.11395	0.2
233.11656	0.3
307.08264	0.3
311.22305	6.8
312.22641	1.3
313.22748	0.3
353.08777	14.3
354.09015	1.2
485.27725	2.2
632.93048	0.3
646.43683	0.3
647.30725	4.5
647.41827	0.2
648.30865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
58.19134	1.5
59.01252	67.0
60.75016	1.5
69.03327	2.6
69.57294	10.8
71.01258	46.1
72.99170	2.2
73.02825	27.1
73.57651	1.5
74.02345	4.5
83.01250	3.3
85.02831	6.2
87.00741	4.2
87.05578	1.6
89.02322	53.9
96.95896	15.8
97.02841	2.9
98.20611	3.5
99.00761	100.0
99.05533	3.0
101.02324	11.9
107.04914	6.1
113.02340	14.0
115.61443	1.6
119.04858	1.7
120.05763	2.6
125.02314	8.2
128.03433	6.2
131.03415	14.6
135.04417	2.5
137.02293	1.7
143.03378	5.2
143.04527	9.2
144.04845	2.0
149.04462	64.3
151.03969	2.0
155.03386	7.0
159.18265	2.5
161.04436	5.2
161.09645	11.4
161.13255	5.0
162.05426	1.6
165.01813	2.8
169.10361	1.6
187.11229	22.9
189.09186	8.8
191.05560	48.6
192.05940	1.8
203.05560	24.3
205.12283	7.8
210.08891	2.4
223.13348	11.4
223.75584	1.6
233.06636	14.3
249.11299	26.6
254.07799	2.5
255.11456	2.8
267.12360	14.0
272.08887	4.6
306.07748	23.2
307.07828	10.8
308.07141	2.1
335.09766	5.1
353.11169	4.4
441.17609	4.0
603.22998	37.6
604.23328	7.7
647.34430	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	646.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74455	0.5
55.87711	0.5
58.02850	4.4
58.45539	0.5
59.01254	3.7
70.02868	0.8
71.01267	3.1
71.58745	1.1
72.00778	0.6
72.99184	0.6
73.02809	1.4
74.02345	9.8
82.02853	1.8
84.04433	0.6
85.02830	1.4
86.02355	3.3
86.98955	1.2
87.00775	0.8
87.05512	1.8
89.02332	2.2
90.00082	1.6
94.58977	0.6
96.95910	4.3
97.03922	1.0
98.02368	0.7
99.00764	2.8
99.05519	8.7
101.07104	1.3
102.05464	0.8
108.02072	0.6
109.03951	0.9
112.03953	0.9
113.02355	0.8
116.01688	0.9
120.01167	1.0
123.04398	0.5
123.05508	0.8
124.03869	0.9
125.02364	1.1
125.03425	1.3
127.05020	1.8
128.03429	25.7
135.04527	0.8
135.05531	2.8
137.02356	1.0
141.06601	2.3
141.07590	0.5
143.04529	36.1
145.06084	1.4
146.04538	3.0
149.04443	2.4
151.03815	0.7
153.06615	2.8
160.00635	10.8
161.04431	0.8
165.01831	1.9
167.03331	0.6
167.04517	2.8
167.08173	1.4
171.04068	0.6
177.03273	3.3
179.03258	0.7
179.04607	7.3
179.62163	0.6
180.04224	0.7
181.04831	1.2
184.10881	0.7
185.05748	0.9
187.11148	0.6
189.09207	0.7
191.03352	0.5
191.05495	2.2
192.07851	0.6
193.05054	0.6
195.06537	1.0
196.06807	1.0
197.05635	1.5
203.05658	0.6
210.08777	6.5
211.09015	0.5
215.12915	0.6
224.98099	0.7
225.07611	0.9
228.10065	0.7
242.07658	1.2
249.11301	0.8
254.07806	9.0
272.08862	16.7
272.11636	1.0
288.06589	6.5
289.07333	0.8
306.07642	100.0
307.07977	6.3
352.12122	0.6
385.72922	0.6
386.75262	0.6
417.15613	0.7
442.15005	1.0
603.23077	1.9
634.54822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98495	0.7
57.03331	1.6
58.79557	0.7
59.01251	1.7
71.01262	1.1
71.50198	1.4
71.60790	0.7
85.02808	2.6
87.00758	1.1
92.49117	0.7
93.03352	4.9
95.04893	0.9
99.08002	1.9
111.04398	1.1
113.09590	2.4
113.88127	0.7
123.08056	0.8
124.01514	0.8
125.02331	0.9
129.09097	3.5
133.02838	1.5
134.03656	1.8
135.04420	17.8
139.11217	3.8
144.43533	0.8
147.11690	3.0
148.26985	0.7
149.45070	0.9
150.03159	1.3
151.03923	2.4
151.11134	1.1
156.68542	0.9
160.01591	1.4
161.02309	2.4
163.11249	1.5
165.12743	2.7
169.12247	1.5
171.10226	5.3
173.04482	3.6
179.03391	3.3
181.12294	3.2
183.13838	1.5
185.24083	0.8
191.05553	32.2
193.08424	4.2
193.12318	1.1
197.11781	6.8
199.09621	1.4
199.13344	4.7
199.14847	0.7
201.11201	2.4
201.36946	0.8
207.10168	1.7
209.11771	2.5
211.13333	11.0
215.10416	4.4
222.08592	1.7
223.09200	1.2
227.12909	1.0
233.11557	48.5
234.11815	3.2
293.21240	11.7
294.21515	1.6
307.08170	1.2
308.09021	2.4
309.20679	2.4
310.20990	2.0
311.22278	100.0
312.22614	9.4
313.23682	1.8
315.19269	2.7
331.18948	1.9
332.19293	2.6
333.20435	6.0
351.07199	1.3
352.08035	1.6
353.08502	1.0
377.19482	1.1
409.23871	4.3
427.24771	1.4
429.98227	1.0
445.24213	1.9
453.22842	5.9
471.25235	0.9
545.33344	1.8
645.29034	3.5
645.43140	12.2
646.43256	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	645.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98495	0.7
57.03331	1.6
58.79557	0.7
59.01251	1.7
71.01262	1.1
71.50198	1.4
71.60790	0.7
85.02808	2.6
87.00758	1.1
92.49117	0.7
93.03352	4.9
95.04893	0.9
99.08002	1.9
111.04398	1.1
113.09590	2.4
113.88127	0.7
123.08056	0.8
124.01514	0.8
125.02331	0.9
129.09097	3.5
133.02838	1.5
134.03656	1.8
135.04420	17.8
139.11217	3.8
144.43533	0.8
147.11690	3.0
148.26985	0.7
149.45070	0.9
150.03159	1.3
151.03923	2.4
151.11134	1.1
156.68542	0.9
160.01591	1.4
161.02309	2.4
163.11249	1.5
165.12743	2.7
169.12247	1.5
171.10226	5.3
173.04482	3.6
179.03391	3.3
181.12294	3.2
183.13838	1.5
185.24083	0.8
191.05553	32.2
193.08424	4.2
193.12318	1.1
197.11781	6.8
199.09621	1.4
199.13344	4.7
199.14847	0.7
201.11201	2.4
201.36946	0.8
207.10168	1.7
209.11771	2.5
211.13333	11.0
215.10416	4.4
222.08592	1.7
223.09200	1.2
227.12909	1.0
233.11557	48.5
234.11815	3.2
293.21240	11.7
294.21515	1.6
307.08170	1.2
308.09021	2.4
309.20679	2.4
310.20990	2.0
311.22278	100.0
312.22614	9.4
313.23682	1.8
315.19269	2.7
331.18948	1.9
332.19293	2.6
333.20435	6.0
351.07199	1.3
352.08035	1.6
353.08502	1.0
377.19482	1.1
409.23871	4.3
427.24771	1.4
429.98227	1.0
445.24213	1.9
453.22842	5.9
471.25235	0.9
545.33344	1.8
645.29034	3.5
645.43140	12.2
646.43256	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	645.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
59.01250	2.0
67.01756	4.0
69.03306	1.5
70.11342	5.0
71.01249	4.1
78.90099	1.0
79.32020	1.2
83.04878	2.3
85.02833	7.2
87.00762	5.6
93.03338	26.0
96.00974	1.5
96.95879	1.1
98.13396	1.1
98.19804	1.3
102.50326	1.4
108.02085	1.2
109.02847	1.8
111.04410	3.7
121.64007	1.4
124.01546	2.2
125.02315	1.5
125.09575	1.9
126.10778	1.2
127.03826	1.7
132.02071	2.9
133.02844	4.2
134.03616	3.7
135.04422	47.2
137.02324	2.2
139.03894	1.3
139.11211	8.4
150.03120	1.2
151.03894	3.4
155.03474	1.8
160.01630	2.0
161.02336	7.2
163.88284	1.2
165.01772	1.3
165.08928	1.7
171.10161	14.9
173.04475	22.3
174.03137	1.3
178.02643	2.4
179.03442	7.6
185.11755	3.2
191.05545	100.0
192.05801	2.8
193.08403	20.7
197.06090	1.5
199.09695	1.8
201.11241	3.5
207.10214	1.8
209.07878	1.2
209.11761	2.4
222.08681	11.3
223.09244	6.9
224.09584	4.7
237.08887	1.5
293.21219	3.3
307.08194	1.4
308.09027	5.4
309.20712	2.1
310.21042	1.9
311.22250	20.3
312.22809	1.6
315.19131	2.1
331.19031	8.9
332.19260	12.6
333.19742	7.1
351.07281	2.2
352.07925	5.4
391.22992	1.3
398.52896	1.2
408.54935	1.2
409.23926	13.3
410.24380	1.7
427.24716	5.9
453.22827	16.3
454.23215	1.4
533.75134	1.3
536.30554	1.9
645.29095	17.7
645.42987	5.5
646.29553	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	645.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30970	0.3
57.13056	0.3
69.96232	0.7
69.96623	0.8
71.01254	10.1
85.02831	0.5
125.09622	1.0
125.99246	3.1
126.95608	0.4
129.15274	0.4
136.14488	0.4
139.11160	0.6
141.09117	0.8
141.98720	0.4
155.14330	0.6
165.01617	6.1
165.02975	0.6
171.10257	0.7
193.04787	0.7
193.08423	1.7
200.10463	0.6
221.07921	4.3
222.08691	100.0
223.09068	4.7
236.10216	2.6
239.23759	0.5
241.09232	0.7
254.07715	9.5
255.08049	0.6
265.21429	0.4
274.19263	0.4
293.21240	1.6
303.19681	0.7
305.20767	0.5
311.22278	13.2
312.22684	1.0
333.20474	90.9
334.20782	8.0
351.20157	0.7
354.82025	0.4
534.30536	4.2
535.30243	0.5
645.42365	2.1
646.43152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51114	0.3
58.74543	0.3
59.01245	0.9
60.34242	0.3
67.01749	0.4
71.01243	0.7
71.18991	0.6
79.92265	0.3
81.67461	0.3
83.04909	0.5
85.02821	6.2
87.00748	1.5
93.03341	3.7
99.04359	0.3
105.78532	0.3
109.02851	0.8
111.04411	1.2
117.03401	0.3
127.03921	1.4
133.02867	4.8
134.03673	1.3
135.04427	14.1
137.02332	0.6
161.02357	20.5
162.02698	0.8
171.10135	0.4
173.04460	2.2
178.02547	0.3
179.03436	6.4
180.03754	0.3
186.02621	0.3
191.05547	100.0
192.05919	3.6
198.51880	0.3
199.09750	0.8
201.11269	0.8
207.10168	0.8
209.11763	1.2
245.07773	0.3
246.18991	0.3
309.20731	6.7
310.20947	0.5
351.07318	0.3
353.08786	16.4
354.09149	1.3
357.92065	0.4
363.15976	0.3
427.25180	0.7
453.22723	0.4
483.25882	2.5
484.26410	0.6
645.29291	5.4
646.29761	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24915	0.3
58.22453	0.2
59.01257	0.8
67.01739	0.3
70.92148	0.5
71.01251	0.6
75.43638	0.2
85.02822	5.8
87.00755	1.5
93.03336	2.3
95.33096	0.2
97.02895	0.2
99.04410	0.5
107.04947	0.4
109.02859	0.3
111.04402	0.8
127.03907	1.7
133.02852	3.9
134.03641	0.5
134.51617	0.2
135.04419	10.3
141.03017	0.3
161.02353	16.4
162.02689	0.9
171.02892	0.7
173.04453	1.5
179.01828	0.4
179.03416	5.9
179.66412	0.2
180.03807	0.3
191.05544	100.0
192.05888	3.2
192.31766	0.2
195.66663	0.3
245.60867	0.3
291.19733	0.3
307.08173	0.3
309.20706	5.7
310.21024	0.5
353.08765	14.0
354.09256	1.2
465.24774	0.4
483.25882	2.4
496.96710	0.3
633.65808	0.3
638.70441	0.3
645.29169	3.6
646.29608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03344	0.3
59.01247	4.3
59.01532	0.3
59.77817	0.2
61.67570	0.2
61.91517	0.2
71.01250	2.7
72.99180	0.2
73.02823	1.5
79.05416	0.9
80.37551	0.2
83.01270	0.4
85.02834	0.6
89.02316	2.3
91.05374	0.2
91.18325	0.2
93.03336	7.7
96.95888	0.3
97.02823	0.4
98.20493	0.5
99.00757	6.3
101.02293	1.3
107.04917	5.0
108.02012	0.3
109.06483	0.5
113.02347	2.0
119.04919	51.0
120.05261	1.4
121.02851	1.1
122.03616	0.8
125.02360	1.0
131.03381	1.0
134.03622	2.3
135.04434	0.5
143.03403	0.4
145.10112	0.5
147.04417	1.7
148.05200	1.7
149.04480	3.6
159.04430	0.5
159.11700	0.4
160.05251	0.2
161.04567	0.4
162.03127	0.6
166.02644	2.5
171.08043	1.0
173.06003	2.0
174.06822	1.8
177.09119	8.7
187.07526	0.4
189.09140	100.0
190.09477	5.5
190.10901	0.1
191.05531	3.0
191.10651	0.7
199.07570	0.2
201.09079	0.3
203.05638	1.5
203.10718	25.1
204.11081	1.4
208.67686	0.2
209.11804	0.3
213.09097	0.3
215.10725	2.0
231.10214	1.7
233.06633	0.8
309.14972	12.8
310.15332	1.3
310.18475	0.2
321.13068	0.3
335.09811	0.5
335.25214	0.2
363.14374	0.3
389.37823	0.2
393.15344	0.4
405.15417	0.6
465.17487	0.7
471.18747	0.7
483.18726	4.1
484.19016	0.3
513.19928	3.9
514.20160	0.5
521.32861	0.2
525.19751	36.5
526.20056	4.1
585.23438	0.6
603.24249	2.0
632.98376	0.3
645.25427	8.0
646.25641	1.8
652.28027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
55.87721	0.1
59.01252	6.5
65.69252	0.2
69.03339	0.2
71.01260	5.3
72.99162	0.3
73.02822	2.4
79.05414	0.7
83.01272	0.5
85.02819	1.6
87.00768	0.3
89.02325	1.7
93.03342	2.4
94.03712	0.2
95.01261	0.3
96.14462	0.2
96.95907	0.7
97.02818	0.4
98.19769	0.4
99.00761	5.5
100.01047	0.2
101.02320	2.0
107.04916	4.8
108.05296	0.2
113.02340	5.6
114.02661	0.2
119.04920	92.5
120.05251	3.2
125.02343	0.9
125.65263	0.2
131.03391	0.6
133.06534	0.2
134.03654	1.6
143.03400	0.5
143.08670	0.2
145.10158	0.8
147.04472	0.7
148.05240	0.4
155.03410	0.2
160.05200	0.3
161.04442	0.5
162.03142	0.4
166.02635	2.4
171.08157	0.8
173.06003	1.8
174.06778	1.2
177.09167	0.5
185.04489	0.3
187.07564	0.3
187.26088	0.2
189.09152	100.0
190.09492	6.3
191.05588	0.9
203.05537	0.4
203.10728	10.2
204.11015	0.6
209.11890	0.2
215.10738	0.6
275.07736	0.3
278.32956	0.2
293.08710	0.5
296.95868	0.2
309.14960	57.2
310.15332	5.2
393.60464	0.2
455.15762	0.3
471.20065	0.5
513.21313	0.7
585.23468	1.9
586.24127	0.3
603.24481	13.4
604.24878	2.4
645.25488	18.6
646.25763	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	643.42
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.6
69.03333	2.5
71.01251	10.2
87.00779	1.7
93.03345	6.5
107.08521	2.8
125.09651	2.0
125.99225	1.8
139.11177	2.7
141.09143	2.6
144.36882	1.3
165.01617	3.1
171.10155	4.3
173.04439	3.4
183.09967	1.7
191.05511	1.7
193.04729	2.6
193.08418	8.9
197.11707	2.6
207.10167	2.0
209.07938	3.2
209.11786	2.3
211.13342	7.5
212.13594	3.3
213.11264	1.5
221.07843	1.8
222.08690	35.1
223.09488	23.0
225.11377	1.9
227.67549	1.4
233.11584	3.0
236.10284	29.4
237.10556	2.1
245.19080	1.9
254.07600	3.4
262.11890	12.0
291.19714	5.3
303.19156	1.4
309.20709	27.9
310.20975	3.8
311.22324	8.6
313.17929	15.0
314.18390	2.4
331.18918	100.0
332.19202	9.9
333.19241	1.8
404.20160	1.5
534.30389	4.0
548.32074	2.7
643.28918	1.8
643.40692	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	643.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08421	1.0
54.88493	0.9
57.03323	1.6
59.01253	11.8
61.98687	2.4
70.16620	5.0
71.01250	6.5
73.02812	2.0
85.02805	2.3
87.00760	1.4
89.02328	2.7
93.03345	1.7
96.95870	5.1
99.00762	1.5
101.02334	3.6
107.70109	1.3
108.02109	1.0
109.02853	2.6
113.02340	2.8
121.02832	2.4
122.03629	33.7
123.04398	1.8
125.02319	4.7
134.03607	1.9
135.04436	10.2
136.05193	8.6
137.02356	5.2
148.05215	3.0
149.05977	2.6
150.06743	5.7
151.03911	2.9
151.07544	28.7
152.08070	1.9
161.70409	1.2
165.01852	7.1
165.05495	1.2
165.09123	1.6
179.03383	2.6
180.04237	3.2
181.04930	1.3
187.03970	1.2
191.05527	2.1
193.04999	1.3
194.83835	1.1
195.06583	5.5
197.11749	2.7
205.05013	1.1
209.11801	1.6
225.07686	3.8
255.06670	1.7
265.41949	1.1
329.23254	7.7
330.24103	1.6
395.18704	2.5
417.15366	1.6
417.30322	3.7
435.31158	23.3
436.31210	2.7
439.22076	1.2
463.30716	4.5
480.30237	1.3
481.24615	1.9
481.31601	35.3
482.31976	5.0
595.22046	4.5
643.28149	4.3
643.37042	100.0
644.27777	1.3
644.37396	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	643.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.5
59.01247	10.1
61.98705	1.9
69.03327	1.1
69.29974	12.1
71.01256	7.1
73.02820	2.0
74.99011	1.3
85.02833	3.8
89.02333	2.8
90.72993	1.3
93.03347	3.4
95.01328	1.2
96.95877	7.5
97.02825	2.2
101.02322	3.4
107.04901	3.4
108.02040	1.6
109.02827	1.5
111.00751	1.5
113.02352	2.6
119.04918	1.2
121.02807	1.3
122.03626	53.5
123.04460	1.7
123.08065	2.2
125.02333	3.6
131.04602	1.4
132.02936	1.7
133.06519	2.0
133.43365	1.1
134.03642	2.0
135.04378	8.0
135.08163	1.4
136.05229	9.8
137.02310	3.6
148.05164	2.4
149.05975	3.0
150.06763	3.7
151.03972	2.3
151.07552	63.2
152.07893	2.7
161.02367	1.6
161.04613	1.8
165.05510	1.2
165.57849	1.2
173.04561	1.6
180.03841	1.2
191.05594	1.4
196.03688	1.5
197.11678	1.4
209.11772	2.6
227.13037	1.3
269.86536	1.4
289.06769	1.4
311.22409	2.2
329.23340	30.8
329.27249	1.9
330.23633	1.9
395.18689	1.6
435.31342	1.5
445.29495	2.2
458.49878	1.5
463.30585	11.1
464.31238	2.0
480.30807	2.0
481.24606	2.5
481.31525	45.0
482.32001	6.1
495.33408	2.3
523.32312	1.7
643.37036	100.0
644.37341	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	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
55.84314	0.7
57.03328	0.6
59.01247	8.2
61.98726	0.8
69.03318	1.2
70.68484	0.6
71.01256	7.5
71.58022	1.0
72.69466	0.6
72.99188	0.6
73.02842	1.7
78.95786	1.5
79.88544	0.7
79.95621	0.9
80.02565	1.7
80.96400	1.2
81.03320	1.2
83.01280	1.0
83.04890	4.3
84.02036	0.7
85.02849	2.9
87.00764	1.2
89.02316	4.3
93.03345	1.6
95.04937	1.0
96.95872	8.3
96.96835	1.1
99.00718	0.6
101.02319	4.5
109.02860	0.9
113.02357	2.8
122.65888	0.8
125.02341	1.7
138.34586	0.7
139.03903	4.1
145.05005	0.9
153.12747	0.9
161.04509	1.6
163.11244	3.7
165.12749	1.9
169.12280	6.5
171.10190	2.7
173.04463	0.8
179.05493	0.9
185.11786	0.8
191.05531	19.2
192.05876	0.9
195.13779	0.8
197.11769	100.0
198.12105	4.5
199.13300	1.5
201.11250	5.2
207.10136	0.8
209.11772	94.1
210.12117	5.0
211.13380	2.3
217.01453	0.9
223.13364	4.9
227.12854	14.0
228.13177	1.1
235.08221	3.6
235.13412	2.1
253.09279	11.6
287.09293	0.9
389.23325	1.7
407.24191	0.9
428.24847	0.7
433.20657	2.9
445.21008	1.1
451.21228	6.2
452.21530	1.1
625.32855	0.8
635.82172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.9
59.01255	12.2
59.33223	1.3
67.01766	2.7
71.01261	6.1
72.99224	1.5
73.02827	1.9
79.95634	3.0
80.59128	1.4
83.01279	2.2
83.04864	1.7
85.02843	2.0
89.02318	1.7
93.03364	3.1
96.95893	19.7
99.00746	2.2
101.02341	3.1
107.04889	1.6
108.02026	1.9
109.02860	5.1
113.02374	2.3
115.98915	1.6
119.04961	2.6
122.03628	21.3
122.07763	1.5
123.04447	5.4
123.08083	2.0
124.01605	1.9
125.02377	3.6
135.04442	9.4
136.01590	2.4
136.05197	2.3
137.02347	34.5
137.05988	1.8
138.02753	1.8
139.03926	2.2
143.04497	1.8
145.30339	1.4
148.05351	1.7
149.02368	3.8
149.06061	1.6
150.03188	3.4
150.06822	2.5
151.00322	6.5
151.03929	13.6
151.07559	33.6
152.04747	6.9
155.52759	1.6
161.02417	2.2
164.01149	2.8
164.04709	2.3
165.01849	100.0
165.05579	3.9
166.02661	15.8
167.03391	4.0
175.03986	2.4
176.01183	2.0
177.01894	2.3
179.03433	21.0
179.07082	1.6
180.04201	56.1
180.05739	3.0
180.88332	1.7
181.04984	17.8
182.05400	1.8
187.03986	3.1
190.02701	1.8
191.03540	1.9
191.05574	2.8
193.05040	2.4
193.08754	2.2
194.05850	5.0
195.03018	3.3
195.06567	67.7
196.03761	9.1
196.07037	3.6
205.05156	6.4
207.06535	2.4
210.05304	11.3
211.06163	5.3
220.07475	3.8
223.06172	4.0
225.07642	50.0
226.08115	2.2
229.50737	2.2
265.18237	1.4
276.44626	1.5
293.17740	2.2
307.19260	1.9
322.04834	1.6
322.18045	2.0
329.19693	14.2
359.11432	3.2
387.10547	2.7
387.14838	5.1
403.14453	2.1
417.15598	25.8
417.26767	2.1
418.15857	3.3
438.16858	1.6
463.27444	6.1
480.27887	1.9
481.27936	40.3
482.28943	4.5
565.21082	3.0
580.20203	2.5
595.21832	33.4
596.21820	7.7
643.34033	88.1
644.25800	2.0
644.34430	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	643.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79432	0.5
51.21692	0.6
51.55487	0.5
57.03322	0.6
59.01253	6.1
61.98700	1.5
69.03286	0.8
70.92947	0.5
71.01254	4.1
71.59361	0.6
72.99176	0.8
73.02821	1.3
78.95789	9.1
79.92539	0.6
79.95611	3.2
83.01245	0.7
83.04913	1.1
85.02825	0.8
89.02319	1.8
95.04869	0.9
96.95894	100.0
96.96811	15.0
98.02350	0.9
101.02339	2.5
113.02321	1.9
115.85762	0.5
118.90945	0.5
119.04933	0.7
121.06499	1.0
125.02312	1.3
135.04390	0.6
139.03915	1.3
149.02260	0.8
163.11139	1.0
169.12288	1.7
181.08676	0.5
181.12271	0.6
191.05525	0.9
197.11768	25.9
198.12152	0.8
199.13356	0.8
209.11777	20.2
210.12045	1.1
211.13329	1.7
227.12883	6.7
235.08231	1.1
253.09210	3.3
267.09152	0.9
291.04083	1.8
309.10184	3.1
309.20706	2.1
335.03070	0.9
351.06110	2.6
376.31860	0.6
433.20944	1.1
485.17212	0.9
504.64157	0.6
533.44519	0.6
565.67053	0.7
625.32764	0.6
643.37250	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	643.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
59.01250	24.8
67.01793	1.1
71.01260	5.8
73.02802	4.1
74.48257	1.0
76.77647	1.0
78.95793	1.2
81.03319	1.6
83.01237	4.9
85.02806	2.9
87.00728	1.2
89.02321	2.5
93.03362	1.2
95.04929	1.4
96.95900	12.5
98.95465	1.2
99.00750	1.6
99.04373	1.5
101.02286	3.7
108.02032	1.8
109.02838	3.5
113.02322	2.8
115.91949	1.3
116.92746	2.0
119.04868	1.0
121.02799	1.8
122.03569	3.8
123.04399	16.1
124.01514	3.5
125.02374	1.8
135.04420	2.8
136.01575	2.0
137.02341	44.2
139.03873	2.5
149.02312	2.5
150.03062	2.5
151.03920	45.5
151.07512	3.8
152.04703	40.0
161.02367	1.5
161.04497	1.9
163.07658	1.5
164.00970	1.3
165.01816	7.8
165.05457	1.7
167.07047	7.7
177.01788	2.7
178.02643	7.2
179.03378	2.6
181.05083	1.3
191.05498	3.7
193.05034	7.3
195.02939	7.3
195.06580	1.8
196.03703	100.0
197.04071	3.5
205.05028	2.4
209.11855	1.7
210.05313	1.4
211.06059	28.3
212.04257	1.1
212.06337	1.5
225.07622	1.3
225.14926	2.6
227.12831	6.9
233.11705	1.3
269.13840	1.7
287.14954	3.4
311.08972	1.2
322.26749	1.2
336.19266	1.8
347.41937	1.0
350.06982	1.5
355.10379	1.0
358.09326	1.9
373.11435	6.8
400.09918	4.3
415.12387	18.8
416.13074	1.7
431.19385	1.3
481.31500	4.1
499.25217	2.2
508.82880	1.4
583.23804	2.9
625.25037	9.9
643.26221	85.6
644.26715	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	643.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.8
59.01254	66.1
61.98697	4.7
69.03336	7.0
71.01250	45.0
72.99191	4.9
73.02811	14.5
75.00742	10.3
81.03302	4.5
85.02832	15.7
87.00728	4.0
88.98679	25.5
89.02307	33.2
96.95884	11.0
97.02817	8.9
98.20533	10.8
99.00746	29.6
101.02340	7.9
102.90075	3.6
107.04945	3.9
109.02842	7.3
113.02322	11.2
113.05962	4.2
122.03607	7.7
123.04387	6.9
123.08054	6.2
125.02352	15.8
125.06032	4.7
131.03378	9.5
134.22865	4.2
135.04398	4.3
137.02383	4.8
138.06783	6.9
139.07532	13.8
143.03433	8.6
149.04449	38.6
149.05952	6.9
150.26367	3.5
151.07552	42.3
152.08359	11.4
153.09059	5.6
155.03401	11.4
165.05489	3.6
174.24382	3.5
177.01785	5.0
179.03458	4.3
189.09122	3.9
191.05586	18.6
191.06996	3.9
201.12804	14.0
203.05550	31.3
203.10680	15.3
204.11481	23.7
219.13853	44.0
227.12965	4.9
233.06656	6.6
241.57681	3.3
245.11778	9.0
263.12866	100.0
264.13135	5.1
287.12790	3.8
291.16016	6.8
305.13937	7.6
341.06528	4.5
351.18021	11.0
371.17175	4.7
380.08429	4.2
389.25443	7.3
439.19745	3.9
451.09848	5.3
642.37787	6.7
643.34210	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	641.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26371	0.8
57.03326	1.0
58.00467	0.9
59.01263	5.0
69.03336	2.1
69.86480	0.8
71.01252	3.9
71.59215	1.5
73.02828	1.5
89.02321	1.3
101.02325	1.6
111.08035	9.2
113.02313	1.4
127.07562	1.1
151.11189	2.0
153.12769	1.1
165.12787	1.9
167.14279	1.0
169.12213	3.7
170.48779	0.8
171.10172	1.7
183.13828	7.0
193.12251	1.7
197.11760	28.7
198.12166	1.3
199.13367	1.9
201.11302	0.8
207.10002	1.2
210.12079	0.8
211.13338	100.0
212.13672	6.0
215.12901	0.8
219.09985	21.5
225.11243	2.1
233.11545	9.4
235.08205	1.5
253.09293	4.9
263.20184	2.9
265.18082	1.3
291.19708	5.2
309.20709	40.7
310.21048	3.8
313.17651	1.2
331.18976	10.5
375.17847	2.1
387.25418	1.8
405.26392	1.8
429.20728	1.0
431.22861	1.3
445.24570	1.1
447.22269	2.6
524.50330	0.8
543.31671	1.2
623.33905	1.1
632.02002	0.8
641.39789	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78530	2.5
71.01256	8.7
76.42039	0.4
85.02816	0.5
111.00520	0.6
125.09600	1.7
125.99236	2.2
137.09621	0.5
141.09081	3.5
143.10623	0.6
151.07393	0.4
152.00928	0.4
153.09122	0.5
165.01601	5.3
165.08943	0.8
171.10190	1.2
178.39235	0.4
178.42909	0.4
181.08356	1.7
183.09940	1.9
191.06764	0.5
193.04742	0.6
193.06619	0.7
193.08397	9.7
194.05482	0.6
194.08716	0.4
196.13156	0.4
197.07961	0.6
199.09634	0.6
200.10516	0.8
201.11278	0.8
205.08485	0.5
207.09894	0.4
209.07883	3.9
209.11916	0.4
211.13315	4.9
221.07892	2.5
222.08685	67.4
223.09450	35.4
224.09831	1.6
225.07356	1.1
227.08899	1.4
241.09296	0.5
247.20535	0.5
248.10185	0.6
253.09163	0.5
254.07637	5.2
262.11707	0.8
291.19598	1.2
301.17813	1.0
303.19592	1.7
309.20718	8.4
310.21014	0.5
313.17807	2.5
328.17630	0.4
331.18890	100.0
332.19263	9.6
349.18765	0.5
375.17825	1.4
424.45605	0.4
440.72705	0.4
532.29004	4.0
533.29260	0.7
592.76385	0.6
641.39264	2.0
642.39740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.4
59.01252	5.0
59.01494	0.8
61.98700	4.5
69.03332	0.9
71.01258	5.1
71.14741	1.7
73.02830	1.0
83.04887	2.4
85.02848	1.0
87.00743	0.8
89.02312	2.3
97.02808	1.4
101.02322	1.9
109.06497	1.3
111.08037	16.5
113.02375	0.9
119.08593	0.9
119.61110	0.8
128.86642	0.7
135.04378	0.9
137.09532	1.4
147.11671	6.8
150.71140	0.7
151.03876	0.8
151.11191	1.4
153.09059	0.7
153.12791	2.2
155.10614	1.2
161.04402	1.0
165.12766	4.8
167.10632	0.8
169.12263	9.8
171.10172	2.4
181.12303	0.9
183.13823	5.5
191.10754	1.3
193.12263	2.6
197.11766	92.4
198.12067	3.9
199.13283	3.8
201.11246	1.1
207.10233	1.3
209.11893	0.9
209.15405	1.4
211.13338	91.5
212.13658	5.7
215.10472	9.1
219.10011	4.5
225.11284	2.4
227.12801	1.5
231.09930	1.4
233.11554	98.7
234.11864	5.8
235.08061	1.0
243.73851	0.8
253.09267	3.5
263.20151	4.5
265.18079	2.4
273.18671	1.1
291.19693	19.0
292.20026	1.3
309.20706	100.0
309.66171	0.8
310.21005	8.7
313.17816	3.3
331.15274	1.2
331.18924	9.0
387.25751	0.9
405.26514	1.8
415.14771	0.9
425.04794	0.8
431.22708	2.6
445.24478	5.1
446.24670	1.5
447.22311	3.2
516.26532	0.9
540.46338	0.8
543.32007	1.1
641.40912	8.8
642.39850	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	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.9
59.01248	2.9
61.98685	1.4
69.03318	1.3
69.31348	2.5
69.31775	3.1
71.01263	2.2
73.02810	0.6
85.02804	0.7
89.02305	1.0
91.21301	0.5
93.03339	1.3
99.00758	0.6
101.02318	1.6
104.92384	0.5
107.08500	0.6
113.02357	0.8
116.53560	0.6
119.08546	3.8
120.08849	0.8
121.10163	1.6
125.09613	2.1
127.11189	1.1
135.08044	0.7
136.17326	0.5
137.09625	9.0
139.11182	1.9
151.11188	1.1
155.10674	1.5
161.04515	0.6
167.10626	0.7
171.10187	24.9
171.33543	0.5
172.10551	1.4
175.07309	0.5
179.10522	1.3
181.12173	0.6
183.10159	1.4
183.13857	5.7
185.11760	5.4
193.08423	4.0
193.12247	1.8
197.11807	0.8
201.11310	1.9
207.09976	24.4
208.10226	1.4
211.13348	100.0
212.13739	6.0
213.11263	2.0
219.10027	1.0
225.11354	0.7
227.18037	0.7
229.19490	0.9
235.08200	1.0
245.19102	2.3
253.09286	4.4
273.18665	2.3
290.72922	0.6
291.19656	7.9
295.16852	1.1
309.20706	32.0
310.20990	2.8
313.17834	26.5
314.18170	2.8
331.19052	0.8
365.18027	1.3
379.20145	0.9
387.25647	1.0
405.26315	0.9
447.22275	3.5
448.22607	0.6
503.28607	0.7
623.36298	0.6
641.40497	5.7
642.40094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.01250	4.0
61.98711	3.6
69.03326	0.7
69.89003	2.9
71.01245	3.4
73.02839	1.3
83.04916	0.6
85.02827	2.0
87.00753	0.7
89.02309	0.9
93.03344	1.5
96.95892	3.4
97.02812	0.9
99.00756	0.6
101.02341	1.2
103.52048	0.5
107.04897	2.1
108.02052	1.0
109.06485	1.2
111.04375	0.6
111.08068	0.7
113.02316	1.2
113.06001	0.7
121.02816	0.9
121.06484	1.6
122.03631	41.4
123.03900	0.5
123.04514	1.0
123.08044	1.7
125.02332	0.8
125.09609	2.0
133.06485	2.3
134.03587	0.9
135.04431	7.7
136.05208	6.4
137.02348	1.4
137.05975	0.6
148.05209	2.6
149.06000	1.7
150.06775	4.3
151.07561	60.4
152.07939	2.5
153.09076	0.6
165.05450	0.6
165.09100	0.7
171.10182	6.0
185.11867	0.6
195.10205	1.2
200.62932	0.6
209.11810	1.7
225.11273	0.8
232.69945	0.6
245.74852	0.5
261.18423	0.6
289.18124	0.6
305.17520	0.5
307.19110	1.6
309.20615	0.8
327.21768	27.3
328.22037	2.3
335.18716	1.0
336.19357	1.3
415.28394	1.5
432.28989	0.7
433.29630	7.0
434.30167	1.0
459.27487	0.7
461.29092	9.5
462.29248	1.1
478.29251	2.0
479.30145	50.2
480.30411	7.0
493.31757	1.2
521.31250	1.9
641.35425	100.0
642.35822	19.8
642.46710	0.9
645.98090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10681	0.8
57.84679	0.7
59.01262	4.6
61.98708	2.6
64.45406	0.7
69.03342	1.8
69.77200	1.4
69.77616	4.2
71.01263	3.3
71.38025	0.8
72.25798	0.8
83.01261	1.8
83.04860	0.9
86.45063	0.8
87.00746	0.9
89.02322	2.5
93.03362	1.6
97.02833	12.3
101.02341	1.9
111.04392	4.2
113.02369	0.9
117.76927	0.8
123.04414	1.7
123.08071	1.1
151.11237	1.9
153.09131	1.3
165.09132	0.8
165.12711	0.9
166.01195	1.1
168.88751	0.8
177.12816	1.4
183.13849	3.2
193.12262	2.7
195.13853	3.0
207.10052	2.1
211.13336	51.1
212.13722	2.8
219.06381	0.9
219.10013	0.9
221.11761	3.3
225.11240	1.2
233.11525	2.4
239.12791	1.6
240.13614	1.4
244.10756	0.9
247.20659	4.2
253.09267	2.5
261.11133	4.5
262.11853	100.0
263.12070	7.3
287.76660	0.8
291.19669	58.1
292.19946	4.3
309.20721	54.9
310.21179	4.8
313.17914	2.1
321.09012	0.8
325.25250	1.3
331.18912	60.9
332.19220	5.2
343.26416	1.4
359.26154	1.0
369.24704	0.8
387.25443	3.6
387.87241	0.9
405.26437	7.5
406.26913	1.2
447.16177	1.0
447.22522	1.9
554.30719	1.4
572.32220	3.4
641.35168	22.5
642.35791	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	641.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35137	0.2
59.01248	1.9
61.98708	1.8
69.03329	0.7
70.34170	0.8
71.01265	1.8
73.02815	0.4
76.71391	0.2
85.02825	0.5
89.02307	1.4
97.02824	1.0
97.06470	0.2
99.00748	0.3
101.02326	1.7
109.06459	0.2
111.27799	0.2
113.02333	0.7
119.04919	1.9
125.09604	0.2
135.04434	0.3
137.09607	0.7
145.05107	0.2
151.03915	0.3
151.07564	0.8
152.08298	0.4
161.04453	0.6
165.12750	0.4
167.10715	0.4
167.14310	0.4
171.10173	1.0
183.13835	6.2
184.07436	0.2
193.08420	1.2
193.12267	1.8
199.13333	0.9
205.08597	0.3
207.10049	1.4
209.15417	0.4
211.13338	100.0
212.13684	5.9
219.09982	0.4
223.13321	0.3
225.11348	0.4
235.08205	1.4
253.09248	4.4
285.14658	0.3
287.16397	0.5
291.19492	0.6
305.11862	0.6
309.20639	2.8
311.86475	0.2
313.14377	0.6
313.17883	1.2
331.15253	2.4
331.18826	1.2
360.07996	0.2
369.24356	0.4
387.25443	1.0
397.13248	0.3
405.26361	1.0
429.21106	0.4
447.22391	3.7
448.22797	0.4
515.12982	0.2
623.34845	0.8
641.24799	0.4
641.34808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.4
61.98703	0.5
69.03333	0.5
70.33823	1.0
71.01262	1.6
85.02821	0.4
87.00710	0.3
89.02303	1.0
101.02319	1.2
113.02315	0.7
119.08514	0.3
125.09621	0.3
137.09621	1.0
161.04462	0.6
165.12775	0.3
167.14304	0.4
171.10178	1.0
183.13832	6.3
184.14140	0.3
193.08401	4.0
193.12308	1.6
211.13342	100.0
212.13690	6.2
221.15392	0.5
235.08171	1.3
236.10640	0.3
253.09286	4.2
293.17575	0.4
307.60648	0.2
309.20700	1.0
331.18497	0.4
387.25543	0.6
405.26367	0.4
429.21481	0.5
447.16696	0.5
447.22348	4.2
448.22733	0.4
545.61285	0.3
597.32764	0.2
621.16968	0.2
623.34253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	84.2
59.74398	2.9
65.98648	3.4
71.01250	34.9
71.58317	4.7
72.99199	4.6
73.02820	13.3
75.00724	3.2
83.01250	4.2
85.02810	18.0
87.00773	5.0
87.73328	3.2
89.02319	26.0
93.03355	6.8
95.89585	3.3
96.95885	5.1
97.02832	6.8
99.00722	8.0
99.08025	11.0
101.02354	21.4
109.02836	4.7
113.02333	11.3
119.03377	10.7
125.02338	12.8
125.09597	3.5
135.04408	4.6
137.02347	8.4
145.08621	34.6
149.04401	4.1
161.04457	9.1
169.01291	7.4
171.10165	9.1
173.04417	4.1
181.12228	10.4
191.05539	71.8
199.13469	6.1
207.10202	13.8
225.11302	23.8
243.12325	18.2
255.02866	4.4
276.59842	3.2
297.03854	4.6
307.13977	100.0
308.14313	7.5
397.13513	9.0
407.07639	8.6
449.08600	4.9
597.26740	4.9
641.16388	7.3
641.26385	42.7
642.26477	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	641.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.1
57.03311	4.3
58.00467	2.4
59.01251	37.7
60.01564	2.1
61.98706	10.0
69.03327	5.1
71.01257	100.0
72.01595	3.9
72.99165	2.5
73.02818	10.9
75.00748	1.8
79.95612	5.1
80.96394	5.8
81.03326	3.7
83.01257	4.0
83.04893	5.6
85.02830	12.1
87.00748	9.8
89.02322	21.8
95.01255	1.7
95.04903	2.1
96.95885	4.8
97.02843	6.4
97.06477	1.8
99.00759	4.2
101.02322	28.1
107.04883	1.9
109.06490	12.9
111.00797	1.6
111.04391	1.6
111.08022	2.5
112.08402	1.9
113.02318	12.6
119.03384	5.5
119.04900	3.5
122.96481	1.8
125.02327	6.5
125.09651	9.0
127.11175	2.8
129.01796	1.5
135.08023	2.0
136.05182	1.9
137.09547	1.9
139.03915	2.9
139.07571	3.7
143.03404	2.9
149.05986	2.0
151.11214	1.6
155.10690	3.3
158.11099	1.5
161.04462	4.7
162.63893	1.7
163.07629	2.4
163.11232	9.1
164.98485	2.3
171.10194	55.7
172.10506	15.9
173.10716	3.8
178.04474	1.4
179.05544	4.3
181.12270	5.3
183.13768	4.8
185.11765	2.8
197.11777	4.3
199.09723	1.6
199.13278	2.4
201.11266	23.4
205.15996	1.7
206.16563	1.7
207.10202	26.5
209.11766	9.0
210.12131	3.9
211.13370	62.8
212.13745	7.0
215.12694	3.5
221.15413	1.5
225.00728	2.6
225.11299	42.4
226.11598	2.1
231.13962	2.0
232.14217	4.0
233.15431	9.3
234.15807	9.1
235.08228	12.2
235.16071	3.7
236.08588	1.5
243.12381	7.3
249.10747	1.7
249.14963	15.2
250.15298	9.9
251.15553	5.7
253.09299	9.6
299.04501	1.9
332.26752	2.2
341.24313	1.9
342.25201	3.1
385.23810	5.9
386.24136	8.3
387.24704	7.2
397.13467	12.9
403.24960	9.5
404.25174	15.2
405.25467	15.6
415.14575	14.2
421.26138	3.6
422.26190	3.7
423.26620	4.9
439.14456	2.2
471.15256	10.1
598.42676	1.8
613.34973	2.2
622.33002	12.2
623.25024	7.4
623.33746	43.9
624.25110	1.8
640.34460	7.9
641.25958	8.4
641.35022	26.1
642.26001	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	641.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	84.2
59.74398	2.9
65.98648	3.4
71.01250	34.9
71.58317	4.7
72.99199	4.6
73.02820	13.3
75.00724	3.2
83.01250	4.2
85.02810	18.0
87.00773	5.0
87.73328	3.2
89.02319	26.0
93.03355	6.8
95.89585	3.3
96.95885	5.1
97.02832	6.8
99.00722	8.0
99.08025	11.0
101.02354	21.4
109.02836	4.7
113.02333	11.3
119.03377	10.7
125.02338	12.8
125.09597	3.5
135.04408	4.6
137.02347	8.4
145.08621	34.6
149.04401	4.1
161.04457	9.1
169.01291	7.4
171.10165	9.1
173.04417	4.1
181.12228	10.4
191.05539	71.8
199.13469	6.1
207.10202	13.8
225.11302	23.8
243.12325	18.2
255.02866	4.4
276.59842	3.2
297.03854	4.6
307.13977	100.0
308.14313	7.5
397.13513	9.0
407.07639	8.6
449.08600	4.9
597.26740	4.9
641.16388	7.3
641.26385	42.7
642.26477	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	641.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.9
59.01251	3.4
69.52615	2.2
69.53043	1.9
71.01273	2.7
73.02842	0.7
75.00766	0.6
81.03337	1.1
83.01226	1.0
85.02828	9.3
87.00753	3.3
87.01196	0.6
89.02330	0.6
93.03334	4.2
96.95901	1.3
97.17282	0.5
101.02325	1.2
101.10824	0.5
105.67011	0.6
108.02061	0.7
109.02852	3.1
111.04404	1.2
123.04437	1.4
125.02341	36.0
126.02651	1.1
127.03918	2.6
133.02843	2.2
135.04401	2.5
137.02344	2.2
137.47920	0.6
145.02878	1.9
150.03082	1.5
151.03893	2.0
161.02359	11.4
161.04517	0.6
162.02695	0.6
163.03873	0.6
164.01082	1.1
165.01852	0.6
172.82581	0.6
173.04507	1.8
175.03912	0.9
177.01886	1.8
179.03348	1.2
185.05977	0.9
187.03877	1.1
191.05544	100.0
192.05963	3.5
196.03735	1.0
199.13345	0.9
202.99828	0.7
207.10225	0.8
211.03909	0.7
214.52629	0.6
225.05563	1.6
225.11282	1.9
227.03485	0.7
229.04988	1.7
241.05061	1.2
243.12424	0.7
251.03348	0.6
253.05112	1.6
269.04568	2.4
271.06146	1.8
279.03000	0.9
283.06033	1.2
287.05576	4.3
297.00677	1.3
297.04059	25.1
298.04453	2.2
323.05630	1.1
327.05084	0.8
351.07059	0.6
353.08801	8.6
363.07965	0.7
384.30392	0.6
423.10730	2.8
449.08762	8.7
461.87546	0.6
519.15051	1.4
641.15283	21.8
641.26581	3.3
642.15125	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	639.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31045	1.2
55.01760	1.9
56.78889	1.1
57.03332	3.0
59.01253	27.5
61.98711	14.3
70.02543	5.6
71.01263	27.1
72.99180	3.2
73.02828	6.2
77.36464	1.2
81.03336	2.2
83.01268	3.7
83.04906	7.8
85.02826	6.0
85.06448	1.7
87.00744	7.6
89.02315	11.1
91.05406	1.5
93.03329	2.0
95.01215	1.5
97.02853	1.7
97.06460	2.8
98.19855	2.0
98.86317	1.3
99.00776	2.2
101.02331	14.9
108.08203	1.3
109.06475	2.2
111.04456	1.8
111.08043	9.1
113.02333	9.7
119.03406	1.9
119.04925	2.9
122.49597	1.3
123.08047	2.7
125.02360	2.2
125.09623	11.9
126.78622	1.3
127.11169	1.8
132.17818	1.2
133.06517	1.7
135.08070	2.5
137.09633	4.8
145.04990	6.7
153.09218	1.7
161.04494	7.7
171.10194	100.0
172.10524	3.5
175.11252	1.4
185.11717	2.7
187.14908	2.2
205.15965	5.8
209.11763	12.7
211.13367	14.8
212.13660	1.8
215.14372	5.9
221.15480	3.9
231.13872	7.9
233.15463	27.5
234.15814	3.0
235.08202	12.5
237.14941	1.9
247.13353	1.9
249.14937	45.8
250.15331	4.0
253.09346	9.3
254.88593	1.6
283.19290	1.5
331.26178	2.8
341.24905	5.9
357.24536	1.6
359.25873	3.3
367.22812	5.7
375.25415	5.7
385.23856	28.4
386.24194	3.6
403.24905	63.2
404.25360	6.2
407.19153	3.8
421.26004	22.1
422.26239	3.2
467.23013	2.2
477.28680	2.1
485.24042	3.9
495.29333	2.3
534.23334	1.5
537.21539	1.4
611.34454	2.9
621.32837	62.2
622.33325	10.9
639.33911	63.3
640.34216	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	639.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70166	2.2
53.97443	2.1
54.59379	1.8
55.42952	1.8
58.00477	2.0
59.01252	38.4
69.44307	2.0
70.12602	9.8
71.01254	77.1
73.02828	4.7
80.44869	2.0
81.03353	2.3
83.04892	4.5
85.02847	4.9
87.41538	1.8
89.02319	9.3
93.33890	1.9
97.02826	7.6
99.00782	3.1
101.02314	11.4
109.06481	40.6
113.02350	5.6
113.51630	2.1
119.03442	3.5
135.08051	2.5
145.23857	1.9
155.10704	2.3
161.04517	3.9
163.11188	21.2
171.10168	11.6
181.12245	5.9
190.09543	2.3
197.11839	2.4
199.09727	3.1
201.11226	6.4
207.10194	100.0
208.10658	4.7
209.11771	3.3
211.13216	3.4
225.11266	61.9
226.11554	4.3
232.50536	2.0
235.08170	3.5
253.09264	26.3
254.79614	2.3
279.07394	2.7
305.70590	2.1
321.08493	2.4
339.09924	3.5
366.78955	2.5
461.20511	21.8
462.20874	7.0
555.86011	2.5
607.21759	3.1
646.16180	2.2
649.05951	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	639.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50916	0.6
53.24675	0.5
53.51746	0.5
57.03319	0.8
59.01259	5.3
67.80744	0.5
70.42445	1.4
71.01267	2.0
71.13629	0.6
71.88396	0.5
73.02815	1.9
75.00748	2.0
85.02858	1.4
85.86507	0.5
87.04400	3.8
89.02322	1.4
90.85781	0.6
90.98540	0.6
97.77993	0.5
98.20399	0.7
101.02354	1.4
104.58292	0.6
113.02399	0.6
115.07574	0.7
125.09661	0.6
130.69772	0.6
134.03635	0.5
135.04378	1.1
137.09633	0.7
138.57822	0.6
139.11177	0.6
150.03064	0.7
152.61394	0.6
169.12247	0.7
185.11752	3.4
191.05525	0.8
215.12875	4.5
243.15993	2.0
273.20847	0.9
301.20172	1.1
315.21744	0.6
345.22714	3.3
345.31131	0.6
373.25983	9.0
373.30502	0.5
374.26514	0.8
389.25403	3.6
390.25879	2.2
391.27014	100.0
392.27347	9.7
422.94458	0.6
433.27917	2.0
595.33063	1.3
639.35785	1.8
650.84442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94748	0.8
57.03316	0.9
59.01253	7.6
69.03347	1.1
71.01263	3.5
72.99172	1.1
73.02831	2.4
75.00780	0.9
81.03374	1.3
83.01244	1.0
85.02869	1.6
86.03216	0.8
88.51195	0.7
89.02328	1.1
93.03354	1.2
95.01266	3.4
96.95884	1.2
97.02816	1.5
98.04698	0.9
99.00777	1.5
101.02330	1.5
107.01282	1.9
108.02049	1.0
109.02825	1.2
113.02348	1.8
119.04954	1.2
119.20146	0.9
121.02837	2.0
123.00764	9.0
123.22294	0.8
124.01561	15.7
125.02345	24.1
126.02676	1.2
131.31656	0.8
135.04405	1.3
137.02327	2.4
149.02354	1.2
149.99493	32.7
151.00253	3.4
152.09468	0.8
153.88405	0.7
161.02321	1.5
165.01920	1.2
166.99767	0.9
168.00560	56.4
169.01154	3.0
179.03351	0.9
191.05495	1.5
198.06363	0.8
204.29698	0.8
209.11790	1.0
210.12090	1.1
303.19696	2.3
314.12527	0.8
344.16177	0.9
355.06421	1.4
356.20569	0.7
373.07520	1.1
444.21832	1.0
445.09866	2.7
477.28482	1.8
487.10925	100.0
488.11261	9.3
595.17096	0.9
639.34088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11903	2.4
57.03329	5.0
59.01230	6.9
66.70068	2.1
70.57702	4.3
70.58056	5.7
71.01243	3.9
78.95768	2.1
78.99104	2.1
78.99635	2.2
80.02563	3.5
81.03329	5.9
83.01256	11.8
83.04876	2.9
93.03331	2.9
95.04899	4.8
97.02833	4.1
97.06490	12.8
109.06451	4.1
118.62003	2.3
119.04871	2.4
121.06463	2.0
123.04400	10.1
123.08051	4.4
125.09617	17.1
129.45007	2.0
135.08046	4.3
136.05243	2.3
137.05983	2.3
137.09596	7.8
141.12650	2.1
141.26703	2.3
141.39719	2.2
163.11206	16.6
165.12744	7.0
171.10135	4.1
175.07368	6.2
181.12292	2.2
185.11761	12.7
191.10663	6.1
191.14359	14.9
203.10457	2.8
207.10239	12.3
209.07802	3.5
209.11774	75.0
209.13789	4.0
210.12062	5.2
211.13420	3.1
225.11272	7.6
231.09987	75.8
232.10248	3.3
233.11536	4.2
243.17397	2.8
245.19116	25.5
246.19395	4.5
249.11244	3.2
261.18674	2.5
271.17023	4.1
283.16467	2.4
285.18198	2.9
289.18100	100.0
290.18497	7.6
291.19598	6.0
307.19135	61.6
308.19495	2.9
311.16388	3.2
317.17218	11.5
329.17358	28.6
353.75705	2.3
481.03372	2.6
525.32648	2.7
539.30078	4.9
637.38159	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	637.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50253	1.2
55.01752	2.1
57.03317	2.7
59.01254	27.2
63.04342	1.0
65.03825	4.2
69.03330	2.6
69.86763	3.4
69.87173	3.6
71.00889	2.0
71.01254	19.4
72.99173	1.9
73.02812	4.6
81.03349	1.1
83.01276	2.2
83.04882	3.2
85.02810	6.1
87.00764	5.8
89.02309	7.4
91.05387	2.3
95.04895	2.3
97.02805	1.3
97.06480	3.9
100.06379	1.2
101.02325	10.7
107.04930	1.3
109.06482	3.5
113.02308	6.3
115.05408	2.6
123.08065	3.8
125.02298	1.4
125.09631	15.3
130.36955	1.1
130.63853	1.2
135.08022	2.4
145.04945	2.7
161.04433	2.5
163.11229	2.0
171.10155	4.5
179.05576	1.3
185.10121	1.4
185.11713	6.2
187.09656	1.8
187.14816	6.3
195.11751	1.4
203.14342	1.5
205.12274	1.5
207.10219	9.7
209.11752	15.5
211.11369	1.2
211.13301	1.4
213.12817	9.4
215.10565	1.1
221.15430	2.0
225.11287	2.6
231.13847	18.5
233.11810	3.4
235.08168	5.7
247.13426	2.5
249.15028	2.5
253.09322	4.6
271.60703	1.2
329.24884	2.2
339.23294	5.3
357.24390	1.7
365.21298	3.6
373.23782	3.5
383.22281	21.4
384.22641	3.2
401.23352	21.1
402.23825	2.9
419.24493	6.0
461.19986	1.6
475.27106	1.4
567.27783	1.3
609.32544	2.0
619.31244	100.0
620.31696	17.5
637.32318	33.3
637.40594	0.8
638.32343	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	637.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01986	0.5
57.03314	2.0
57.54573	0.6
58.00474	0.8
59.01252	14.8
66.94944	0.4
69.03314	0.7
71.01250	5.8
71.04931	0.7
71.37994	0.8
73.02822	3.9
75.00765	1.2
75.20325	0.5
83.01263	0.7
85.02821	3.2
85.06459	1.0
87.04391	2.1
89.02309	2.1
93.03341	0.7
96.95877	1.4
97.06440	0.7
99.00747	1.4
101.02325	4.1
113.02327	2.9
119.03455	0.7
125.02354	0.6
125.09628	1.2
129.01938	0.6
135.04396	1.3
135.08128	0.7
137.02299	1.1
137.09589	2.6
139.11160	2.0
141.12727	0.8
149.02347	0.6
150.05478	0.7
153.01831	1.8
155.10724	0.6
157.12234	0.8
161.04414	1.5
168.04175	0.6
169.12253	1.3
171.10193	0.8
185.11766	6.2
191.05524	1.2
201.11227	1.1
215.12842	5.5
223.06026	1.6
243.16034	2.1
301.20203	8.2
309.08334	0.9
311.22308	0.6
320.13147	0.5
327.21716	1.5
329.23303	2.5
341.23276	4.2
353.23334	0.6
361.16580	0.7
371.24344	8.8
372.24835	0.7
387.23871	2.0
388.24203	1.9
389.25446	100.0
390.25763	9.5
403.27164	0.7
431.26273	0.8
433.15073	1.7
473.27686	1.3
593.31744	14.2
594.32159	2.0
637.31067	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	637.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.2
59.01252	9.1
69.03309	0.7
69.82207	0.6
71.01256	3.0
71.04895	0.7
71.55126	0.8
72.99170	0.8
73.02809	2.3
75.00730	0.9
83.01266	1.3
85.02837	1.5
87.04390	2.4
89.02319	1.0
93.03362	0.6
96.95892	1.4
97.06480	1.0
99.08022	0.7
101.02323	1.8
113.02340	1.6
123.04402	0.9
123.08020	0.9
123.52335	0.6
125.02319	0.8
125.09624	1.8
129.05540	0.6
135.04451	0.7
135.08015	0.9
137.02332	0.7
137.09680	1.0
139.11171	0.5
150.05571	0.6
151.03870	0.6
153.09093	1.0
157.12254	0.9
165.05469	0.5
171.10202	2.9
178.88812	0.5
185.11836	1.3
187.09688	2.1
191.05534	1.4
201.11249	2.8
215.12878	3.5
241.05144	1.0
243.15891	0.7
257.08054	1.2
301.20169	1.7
329.23361	1.9
341.23318	1.9
343.21252	1.0
345.22824	0.7
371.24399	9.5
387.23923	1.5
389.25449	100.0
390.25797	10.4
403.26962	0.8
431.26401	1.6
433.14975	1.0
593.31622	7.2
594.32568	1.3
637.24829	1.1
637.34222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.0
56.07875	1.7
59.01252	38.5
71.01256	69.8
71.58572	2.1
73.02814	5.5
81.03333	3.3
82.82458	1.6
83.04907	4.9
85.02816	5.0
87.00733	3.3
89.02319	8.2
93.52740	1.7
97.02830	5.8
97.06467	3.5
99.00775	2.5
101.02328	11.1
109.06482	33.9
110.03645	2.5
113.02325	5.7
113.32753	1.8
119.03394	3.3
121.02836	3.1
121.06445	2.4
125.09631	2.6
135.08047	2.9
136.05193	2.2
142.02626	2.0
143.03403	2.8
161.04510	4.3
161.09604	3.6
163.11180	18.8
171.10185	10.7
181.12294	7.1
185.11737	4.0
189.09174	2.3
199.09695	3.4
201.11197	6.1
207.10208	100.0
208.10541	5.5
209.11714	6.2
225.11266	60.5
226.11551	3.1
235.08189	3.0
243.12386	3.9
247.13327	2.7
251.76042	2.2
253.09247	21.7
255.43091	1.8
339.23297	2.5
383.22324	6.1
401.23389	11.7
419.24463	4.4
461.20239	21.4
462.20947	7.3
619.31335	7.8
637.32098	14.1
638.32465	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64551	0.9
59.01258	5.8
63.96098	1.0
69.03326	0.9
71.01263	6.2
73.02828	1.4
78.95780	8.4
78.98440	5.1
79.95596	7.6
80.96394	46.7
85.02848	2.2
87.00729	1.6
94.25079	1.1
94.97968	13.1
96.96883	1.4
98.19721	1.4
101.02309	2.1
106.97953	1.7
122.96033	1.0
122.97480	3.6
125.02347	4.1
134.97487	2.8
148.99055	4.2
152.98500	3.3
152.99529	4.2
164.98564	9.2
171.00539	3.7
182.99619	2.0
206.99637	2.5
225.00713	17.1
229.74040	1.1
241.23486	1.1
243.01709	2.1
255.23271	3.1
274.70505	1.1
292.32297	1.0
299.04440	8.2
313.96182	1.1
429.03934	1.4
469.21994	1.0
555.28448	100.0
556.28754	13.0
637.27167	2.7
638.27704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.0
71.01254	5.6
73.02816	1.8
75.65771	1.1
78.95772	5.9
78.98447	4.6
79.95609	5.7
80.96390	53.1
85.02814	2.1
87.00714	2.6
94.97964	12.1
106.97954	2.7
122.97482	2.3
125.02307	2.6
125.68646	1.2
134.97487	5.7
148.99052	5.2
152.98463	3.6
152.99501	4.2
157.39307	1.2
160.12277	1.0
164.98520	9.2
171.00536	3.0
200.26543	1.2
204.84309	1.1
206.99596	3.1
225.00688	16.2
229.44191	1.4
255.23216	1.9
285.95593	1.5
299.04425	10.5
318.51974	1.1
327.21591	1.1
386.06085	1.1
430.43448	1.2
460.16992	1.4
463.87759	1.2
489.08701	1.1
500.89786	1.1
555.28381	100.0
556.28729	14.6
633.95526	1.2
637.27179	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	637.2668
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
59.01240	2.2
71.01246	2.8
71.58556	1.5
78.95782	7.4
78.98460	2.8
79.95615	5.5
80.96392	32.2
85.02834	1.4
89.64379	0.8
89.66740	0.9
94.97956	8.3
96.96863	0.9
97.02830	0.9
106.97962	1.1
112.24417	0.8
122.97446	2.3
124.46234	0.8
125.02326	1.9
127.03981	1.2
134.97441	2.4
147.44408	0.8
148.99036	3.1
152.98500	2.5
152.99599	4.1
164.98503	5.4
167.68588	0.8
171.00536	3.5
171.78741	1.0
182.99718	1.2
206.99625	1.6
208.22279	1.0
225.00731	9.9
255.23277	2.5
277.67947	0.9
299.04340	3.7
302.65286	1.0
307.05273	0.9
342.29718	1.0
352.53949	1.0
381.03751	0.9
398.48984	1.0
405.17444	0.9
419.14975	1.6
433.16257	8.5
434.17184	6.9
447.18188	12.3
448.18945	12.7
449.19571	4.4
461.20041	1.4
462.20825	14.4
463.21103	6.7
464.22174	1.1
475.17334	1.3
477.19351	2.0
489.18719	1.5
490.19702	1.3
492.18036	2.7
493.18869	3.1
506.19531	3.1
507.20374	5.6
521.22125	22.1
521.94727	1.1
522.21924	3.6
535.19818	2.6
536.20679	1.6
550.22083	1.6
551.22974	1.8
555.28406	61.2
556.28839	5.8
577.24890	1.0
580.26965	1.1
593.24213	1.7
594.24335	1.9
608.26465	21.7
609.26953	7.7
610.27698	1.2
622.24182	5.3
623.24634	1.4
637.26636	100.0
638.26941	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	637.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	2.0
59.01254	76.1
64.43886	2.0
71.01255	40.1
71.58711	2.8
72.99175	9.3
73.02822	21.6
74.02368	4.5
75.00745	8.3
79.31482	1.8
83.01260	5.5
85.02831	13.9
87.00743	7.9
89.02309	19.9
96.95890	9.1
98.03622	4.5
99.00761	39.2
99.92458	6.9
101.02337	19.3
103.00277	2.5
109.02844	2.5
111.00758	2.6
113.02322	15.2
113.06011	2.7
116.92747	77.5
117.01823	5.5
117.03355	5.1
117.92732	2.4
119.03408	3.9
119.04913	8.4
125.02373	3.2
125.06032	2.0
131.01326	2.1
131.03410	2.5
134.03612	2.3
135.04413	2.3
137.02298	6.9
137.09622	4.4
147.02937	4.6
149.02348	2.8
149.04497	7.6
151.03864	3.0
155.10712	6.0
161.02361	2.5
161.04420	4.3
165.05458	6.1
165.09111	10.0
175.00278	9.3
180.07809	11.8
181.08618	10.4
191.05522	8.0
198.08853	2.8
199.09698	3.6
203.05553	3.4
221.11777	2.5
235.09666	2.7
253.15636	2.6
293.04578	16.8
294.04950	15.4
295.05542	18.0
312.06229	2.3
313.07104	3.3
330.03015	2.1
330.96902	2.0
387.19962	2.5
413.08725	8.4
414.09189	6.4
415.09369	14.6
424.11874	2.2
463.17987	2.9
493.19113	4.7
501.19492	3.9
533.29236	2.4
535.20380	100.0
536.20728	15.3
577.28333	8.0
593.24261	11.7
594.24921	3.3
595.29590	6.8
637.17365	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	637.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.6
71.01264	9.9
72.99166	1.2
73.02820	3.0
75.00754	1.8
83.01271	3.0
85.02832	3.4
87.00741	2.1
89.02309	6.8
93.03322	1.0
94.58669	0.9
95.01305	1.1
96.95890	5.6
99.00750	4.3
101.02340	3.6
107.04926	1.3
109.02843	1.8
111.00770	2.2
113.02351	4.1
119.03400	1.9
119.04902	2.0
121.02850	1.4
121.74290	1.1
123.00773	2.7
123.04424	1.2
124.01573	2.6
125.02340	2.5
125.93338	1.0
127.00286	1.4
133.02856	2.7
135.04425	3.5
137.02365	6.0
138.03111	2.1
139.00275	12.2
139.03897	3.9
145.02852	2.1
147.04408	1.1
147.98737	0.9
149.02365	1.4
151.00279	1.8
153.01817	2.4
153.05472	1.7
156.07755	1.1
161.02380	2.6
161.04497	1.7
162.03122	3.9
163.03958	3.0
165.05608	1.1
166.02643	3.2
167.03395	1.6
175.00308	1.1
175.03902	3.3
175.93147	1.1
176.01132	1.6
177.01874	1.5
177.05528	3.5
178.06282	1.3
179.05573	1.2
181.04993	2.6
188.01028	1.3
189.01842	2.1
190.02713	1.3
191.03445	1.8
191.05394	1.0
193.05032	2.3
203.03458	4.9
204.04187	3.1
204.42503	1.1
207.02878	1.1
207.06519	1.4
218.05829	5.7
219.03000	1.4
219.06633	2.1
295.06113	2.6
311.05096	1.0
328.05817	1.1
337.07010	3.0
338.07761	1.0
343.08319	2.9
353.10159	0.9
355.08273	4.2
357.09796	1.9
358.10541	15.5
359.10910	1.5
367.99011	1.0
370.10410	1.6
371.11185	1.2
373.08511	1.7
373.12946	30.3
374.13184	3.7
385.13138	1.4
389.25354	1.8
403.10233	5.2
403.14990	5.2
418.12534	3.3
433.15039	100.0
434.15326	10.1
445.15097	1.9
457.11417	1.7
457.40298	1.2
522.33392	1.0
577.27618	0.9
595.28888	1.2
637.18213	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	637.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57823	1.2
57.03350	1.3
59.01250	18.7
67.01749	3.7
69.03315	3.0
69.95065	2.4
69.95477	3.8
71.01251	11.2
72.99174	1.5
73.02818	4.4
75.00746	1.5
81.03329	12.6
83.01263	2.6
85.02822	3.5
89.02328	6.0
93.03330	7.4
95.01260	3.6
95.02134	1.1
96.95873	5.0
97.02818	1.8
99.00760	5.9
101.02317	4.4
102.48508	1.3
107.01251	4.9
108.02050	5.1
113.02342	6.6
123.00749	4.5
124.01517	3.7
125.02328	4.9
135.04349	1.2
136.01544	4.2
137.02296	1.2
151.00273	16.1
152.00999	1.3
152.66029	1.1
161.04459	1.9
161.05794	1.3
165.92513	1.1
173.04428	3.8
191.05528	5.6
192.97740	1.1
209.11765	2.0
242.05800	61.6
243.06349	10.8
257.08167	100.0
258.08548	8.3
267.12344	2.2
387.10849	1.5
396.07819	1.2
551.17560	14.3
552.17889	2.7
593.18719	20.1
594.18811	3.8
595.27716	1.6
637.25128	3.5
637.38171	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	635.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07398	2.5
57.03324	7.5
57.84396	2.5
59.01245	6.8
59.72803	2.9
89.23492	2.8
97.06475	3.0
98.20606	5.0
99.40807	2.8
111.08044	6.4
113.09650	9.0
123.08075	5.3
125.09613	12.9
127.11190	10.9
137.09631	6.5
151.11174	4.6
153.09164	5.0
157.06851	3.8
165.09261	3.4
171.10178	12.2
180.14986	3.2
195.10197	4.5
199.13335	7.0
201.11253	67.2
213.11256	49.1
227.12846	4.4
245.19261	3.6
289.18143	39.8
291.19690	30.6
291.22769	4.4
307.19165	59.1
308.19617	6.2
309.20654	39.1
325.20184	55.0
326.20663	5.5
327.21780	100.0
328.22299	4.9
375.42410	3.1
471.34915	4.8
635.25079	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	635.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80855	1.5
57.03316	2.8
59.01255	31.4
60.99170	3.5
61.98683	2.0
68.88106	1.5
69.03333	2.3
71.01253	29.7
71.57671	2.3
72.99179	3.3
73.02811	6.5
83.01237	2.2
85.02815	6.3
86.48469	1.4
87.00757	14.4
87.86748	1.4
88.00260	1.6
88.98685	32.7
89.02315	21.8
95.01254	2.0
96.95899	2.2
97.02798	2.9
97.06461	2.8
97.48549	1.5
99.00748	4.2
101.02332	18.9
113.02346	11.4
119.03380	8.2
123.00750	2.6
125.02321	10.0
125.09614	3.6
139.11198	2.4
141.01801	2.0
141.09087	2.6
143.03406	1.7
149.04478	1.9
155.14398	1.8
161.04477	2.0
171.10193	5.3
171.81969	1.5
179.05522	1.9
185.11784	1.6
200.10399	1.9
209.11763	3.4
227.12996	1.7
249.22224	2.6
271.14581	8.4
273.22186	5.4
293.21356	10.1
295.22803	24.0
296.23230	2.9
297.44791	1.5
311.22284	100.0
312.22513	8.3
315.13483	6.6
317.21295	9.9
335.22256	17.1
347.22220	10.3
365.23450	8.1
383.24448	9.1
399.21518	1.6
401.23129	1.8
413.20660	1.6
413.25519	15.5
414.26312	1.6
455.26459	11.2
473.27551	11.1
635.32788	64.0
636.32684	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	635.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30605	2.3
59.00951	5.3
59.01252	100.0
71.00890	4.7
71.01251	48.9
71.19194	2.3
72.99159	3.1
73.02825	30.3
75.79373	2.7
79.79188	2.3
80.54107	2.8
83.01253	3.9
85.02824	16.3
87.00771	5.9
89.02321	41.3
93.03346	2.8
95.01249	4.5
96.95887	50.5
96.96847	3.7
99.00758	89.8
101.02318	17.5
109.02805	3.8
113.02325	27.7
119.03420	3.0
121.02861	4.3
125.02305	7.4
131.03381	9.8
135.04413	10.7
137.02330	6.8
143.03381	4.3
149.04469	34.6
151.03888	3.0
155.03386	3.9
161.04477	8.5
191.05563	37.0
203.05592	9.3
233.06599	8.9
265.34210	2.5
343.24884	6.0
359.56213	2.7
372.47604	2.8
387.23773	11.1
399.24005	5.2
417.24857	7.3
459.25952	5.2
531.27924	28.3
532.28198	5.1
549.29041	33.0
591.29852	31.9
592.30359	4.6
635.32233	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	635.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45108	0.4
59.01250	7.3
65.06870	0.5
67.87956	0.4
71.01249	3.9
71.58989	0.4
71.59468	0.8
72.99164	0.4
73.02815	1.4
76.82347	0.4
82.65251	0.5
83.01286	0.4
85.02845	1.2
87.92338	0.4
89.02318	1.6
93.03320	1.2
96.95866	0.5
99.00768	2.6
101.02325	2.0
107.86777	0.3
108.02072	0.4
113.02326	3.6
119.04918	100.0
120.05247	3.2
125.02326	1.2
125.09663	0.6
152.55124	0.4
153.00955	0.4
161.04440	0.6
191.05463	0.8
203.05603	0.5
255.10255	32.6
256.10626	2.4
292.20255	0.6
549.19769	7.6
550.19598	1.1
591.20789	12.8
592.21564	1.3
602.73511	0.5
635.31854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2512
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.37838	1.7
57.79896	1.9
78.95776	2.8
103.36083	1.9
152.99565	2.5
301.71945	2.0
430.14081	2.3
445.16626	2.3
458.17517	5.8
473.15411	3.1
474.16736	8.3
475.17593	6.5
487.18018	2.4
488.18384	6.9
489.19165	6.8
490.19913	7.1
501.18762	2.1
505.22510	5.5
516.18066	2.7
529.18793	2.6
543.57257	2.1
549.21405	3.7
559.23834	3.2
575.22974	17.1
576.23907	11.4
635.25159	100.0
636.25214	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	635.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74916	0.5
53.67630	0.7
56.34865	0.6
57.03318	2.3
59.01253	9.9
61.98678	0.7
69.30860	6.2
71.01260	3.8
73.02831	3.8
83.01244	0.8
85.02827	2.8
87.04379	1.3
89.02319	2.0
96.95880	2.9
97.06478	2.2
101.02327	3.8
105.92667	0.6
109.02871	0.8
109.06486	0.8
111.81426	0.8
113.02341	2.3
119.04906	0.8
121.02827	0.8
123.08060	0.8
125.09626	2.9
135.04404	2.7
137.02382	1.7
137.09613	1.0
139.11166	0.9
139.70164	0.7
149.05956	1.1
151.03906	1.7
155.06891	0.8
165.09111	1.0
170.53360	0.8
171.10196	5.1
179.06995	1.0
179.10677	0.7
190.02811	0.8
199.09544	0.8
200.10500	0.9
205.08801	1.2
213.40463	0.6
215.12923	1.1
243.12311	0.7
258.39502	0.7
278.97491	0.7
281.17557	5.6
309.20837	0.9
327.21759	2.6
339.21741	0.8
351.21695	0.7
369.22839	7.6
370.23526	0.8
387.23883	100.0
388.24277	9.2
429.24838	0.9
444.78937	0.7
549.28510	0.9
591.29852	5.8
635.23285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1613
Annotation	Apigenin 7-(6'''-acetylallosyl-(1->2)glucoside)
Peak:m/z	Relative Intensity
55.01786	0.2
59.01251	6.9
66.12947	0.2
69.25104	2.2
71.01252	4.3
72.99195	0.4
73.02822	5.4
75.00734	0.4
75.24174	0.2
76.18141	0.2
78.68854	0.2
83.01261	1.3
85.02826	0.7
89.02322	0.6
93.03363	0.2
96.95903	1.1
97.02850	0.3
99.00754	0.4
101.02344	2.6
107.77036	0.2
113.02345	0.7
117.03338	9.8
123.04395	0.3
131.01294	1.9
131.03439	0.3
133.02803	0.2
135.04433	0.4
137.02338	0.3
145.02805	0.3
149.02309	0.3
161.02370	0.6
161.04443	0.3
163.03940	1.0
173.02365	5.6
175.00282	8.4
176.00638	0.4
185.02434	0.3
191.05481	0.3
193.01410	0.4
193.06526	0.5
221.06023	0.5
237.05574	0.4
249.05574	1.0
265.05063	0.6
268.03723	0.3
269.04584	1.3
281.04559	0.8
282.05307	0.7
283.06125	2.3
293.04556	100.0
294.04907	8.0
295.05945	0.3
306.04788	0.2
309.03857	0.3
311.05609	5.7
312.05911	0.4
314.04291	0.7
323.05630	1.0
335.05450	0.9
341.06641	0.7
353.06583	0.3
395.07672	0.4
413.08777	66.0
414.09106	7.6
414.13327	0.2
431.09418	0.3
455.10043	0.5
515.12061	2.2
516.12378	0.5
590.75159	0.2
593.14215	0.2
635.16156	10.4
636.16656	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	633.401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45281	4.2
57.03308	5.0
60.92916	4.3
71.22794	8.5
79.90549	4.9
101.85856	4.4
111.08043	12.2
119.03417	6.1
123.08083	7.3
125.09615	23.3
137.09633	7.2
153.09123	6.7
171.10162	19.2
199.13231	10.1
201.11230	58.3
213.11238	37.4
227.12865	7.2
289.18170	45.1
307.19144	100.0
308.19385	10.5
325.20233	94.9
326.20505	8.9
414.22458	4.9
427.44131	6.0
576.12122	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	633.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.4
58.00470	3.9
59.01255	40.0
59.01540	3.8
69.03352	2.1
71.01260	32.2
71.44469	2.2
71.44791	2.0
72.67419	1.9
72.99180	3.1
73.02824	5.8
81.03317	2.0
85.02815	5.2
87.00766	14.0
89.02319	22.9
90.78760	1.9
95.01247	2.5
97.02837	2.6
97.06482	2.3
99.00759	3.6
101.02338	22.1
113.02317	13.5
119.03387	6.7
123.00746	3.1
125.02312	12.3
125.09627	6.9
131.03342	1.8
137.09647	2.2
139.11168	2.0
143.03410	2.0
148.49098	2.5
149.04488	2.7
161.04495	4.9
169.69327	1.7
171.10172	9.5
179.05553	3.9
185.11758	2.1
197.42815	1.7
199.09763	4.3
199.13371	2.9
200.10399	2.8
201.11287	4.2
213.11456	2.3
215.12787	3.1
247.20728	5.1
263.83521	2.0
271.20493	4.0
291.19638	15.2
293.21237	27.2
309.20709	100.0
310.21051	9.6
315.19678	6.0
333.20648	15.6
345.20679	10.9
346.21188	2.7
363.21817	7.8
364.22290	2.4
381.22748	8.2
399.21906	3.9
411.23712	17.8
412.23706	2.5
417.22559	2.5
449.20309	2.3
453.24677	15.8
471.25833	9.7
633.31305	71.8
634.31622	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	633.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
68.76265	0.7
69.41257	2.5
69.41679	5.5
93.03336	18.1
96.49060	0.9
98.20595	1.8
107.04909	1.2
119.04920	100.0
120.05263	2.9
124.26185	0.8
125.09651	1.7
127.41413	0.8
129.65736	0.9
133.02867	1.0
147.04433	1.1
148.05276	1.0
171.10138	1.4
174.06717	1.3
189.09145	23.1
190.09445	1.3
203.10716	22.7
215.10794	2.4
255.23526	0.9
256.89279	0.9
265.08716	5.9
309.14981	17.1
309.20709	2.8
323.12897	13.8
324.13208	1.2
341.19687	1.0
371.94510	0.9
501.22586	1.2
513.23077	3.0
575.24054	1.0
633.28619	17.6
634.29181	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	633.2554
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
53.10418	0.8
54.50287	0.8
59.01252	7.3
70.94697	2.0
70.95039	1.1
71.01256	10.3
73.02805	4.1
83.06110	0.8
85.02828	3.0
89.02313	4.3
91.82192	0.8
93.03330	1.9
97.02836	1.6
99.00758	9.3
101.02319	5.9
108.02056	2.0
109.02856	0.8
113.02323	3.5
119.04921	71.9
120.05261	3.6
121.02853	4.3
125.02334	2.6
131.03352	1.0
134.03706	1.1
137.02280	0.9
143.03355	1.2
147.04483	0.9
149.02303	1.4
150.03143	2.6
161.04483	3.0
161.05928	2.0
171.10136	2.6
175.03870	1.4
176.08403	6.6
179.07146	3.9
189.09081	1.1
191.05560	2.0
203.07161	2.0
204.07863	22.2
205.08478	2.8
207.10168	1.5
217.08690	4.4
219.10226	100.0
220.10562	5.7
225.11188	1.4
230.09346	1.6
233.11833	1.2
245.11786	2.3
258.52783	0.9
293.08911	0.8
307.13187	1.6
323.12698	1.4
324.13495	1.5
339.16013	33.2
340.16391	4.5
385.25912	1.0
413.14511	37.6
414.14883	3.9
633.25220	20.8
634.25946	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	633.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29401	3.5
69.29832	3.1
72.42628	0.6
75.36505	0.6
83.30188	0.8
93.03333	16.5
107.04910	1.5
119.04921	100.0
119.87105	0.6
120.05247	3.4
121.02769	0.8
133.02855	2.8
134.03661	1.0
147.04459	1.7
148.05188	1.2
159.04391	0.9
171.10135	1.0
173.06064	0.7
177.09198	0.8
189.09142	20.3
190.09549	0.7
203.10715	22.0
204.11122	1.4
215.10783	1.3
226.98714	0.7
265.08701	6.5
309.14957	16.2
309.20688	1.5
310.15216	1.0
323.12881	13.1
324.13315	1.7
335.12769	1.0
443.12271	0.7
455.18484	1.0
475.52390	0.7
513.23138	3.0
566.11218	0.8
633.28540	19.8
634.29211	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	632.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	5.2
59.01254	4.7
61.98701	1.1
66.03342	0.8
71.01264	3.0
71.59089	0.7
72.00784	1.0
73.02814	1.2
74.02348	14.3
82.02852	1.6
83.72175	0.5
84.04405	0.8
85.02833	1.0
86.02351	4.1
86.05961	0.7
86.98981	1.2
87.05508	2.3
88.98661	0.9
89.02303	1.4
90.00060	1.6
93.03349	1.1
96.95891	5.5
97.03969	1.4
99.00771	1.2
99.05510	11.1
101.02323	1.2
101.07079	2.0
102.05475	1.8
105.03355	3.4
107.06046	1.0
108.84437	0.5
109.03951	1.6
109.07583	0.8
110.02293	0.7
111.05550	1.0
112.03938	2.0
112.40910	0.5
112.45143	0.5
113.02309	1.1
113.03465	0.7
116.01673	1.1
116.92756	0.8
119.04915	16.4
120.01155	0.7
121.02821	0.7
123.04436	0.7
123.05540	1.3
125.02326	2.3
125.03378	0.8
125.09625	1.0
127.04993	2.4
128.03432	32.5
135.04544	0.6
135.05521	2.3
135.07883	0.6
137.02348	1.0
137.07123	0.9
139.21458	0.5
141.06596	2.4
143.04527	43.7
144.04866	1.0
145.06075	2.0
146.04526	4.3
148.01485	0.5
149.02368	2.8
151.03929	0.8
153.06583	3.3
157.06470	1.7
159.04469	0.5
160.00659	13.8
164.04802	0.6
166.09779	2.3
167.03371	3.4
167.04565	2.4
167.08197	1.9
171.07729	0.6
171.10150	2.1
177.03291	4.0
179.03195	0.7
179.04552	9.0
181.06134	1.4
185.05598	1.9
185.11777	0.6
189.09016	0.7
191.05453	0.6
192.07661	0.8
193.60135	0.5
197.05602	1.5
201.05522	1.0
210.08775	9.2
213.05344	0.6
219.06622	4.7
225.11453	0.7
228.09772	0.9
231.04474	0.7
237.07643	2.3
242.07794	0.9
254.07817	10.8
256.30365	0.5
268.07504	0.8
269.08170	2.4
272.08875	21.6
273.09384	1.1
288.06583	7.4
289.07159	1.1
306.07654	100.0
307.07941	4.9
321.11169	1.0
339.12360	32.2
385.25989	1.9
588.27533	0.8
632.30151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	5.6
59.01258	1.7
66.03351	0.6
69.29853	3.5
70.02854	0.4
71.01251	1.1
72.00787	0.7
74.02345	12.5
74.25269	0.4
77.48213	0.4
78.95827	0.3
81.04436	0.4
82.02852	1.0
84.04423	0.5
85.02835	0.3
85.03954	0.4
86.02350	4.6
86.05997	1.2
86.98965	1.0
87.05520	2.8
88.03923	1.1
89.02319	0.7
90.00079	1.2
96.95888	1.0
97.03957	1.4
98.95502	0.3
99.05518	11.1
100.00286	0.4
101.02329	0.3
101.07088	1.3
102.05481	1.6
107.06027	0.8
109.03964	1.8
109.07598	0.7
111.05525	1.2
112.03925	1.4
113.03477	0.6
116.01637	1.2
119.04889	0.5
120.01170	0.3
123.05550	0.9
124.03937	0.7
125.02378	0.5
125.03444	0.9
127.05034	2.0
128.03426	28.9
129.03783	0.5
129.99544	0.6
131.04517	0.7
135.04489	0.5
135.05502	3.1
137.07166	0.5
139.04988	0.3
141.06619	2.9
143.04524	39.1
144.01103	0.3
144.04878	1.2
145.06073	1.6
146.04482	3.8
151.03871	0.3
153.06609	2.7
155.08122	0.5
157.54288	0.4
160.00652	10.8
166.09772	1.4
167.04489	2.3
167.08215	1.8
170.03242	0.6
171.04059	0.3
171.07729	0.5
171.10147	1.1
177.03316	3.6
179.04546	7.9
181.06105	1.4
184.10851	0.8
185.05624	1.4
192.07735	1.1
197.05612	1.1
198.08772	0.6
209.11818	0.4
210.08780	7.8
211.08961	0.4
214.12717	0.3
231.04274	0.6
242.07773	0.9
254.07814	10.1
255.08163	0.4
272.08887	17.8
273.09128	0.8
273.98969	0.3
288.06558	6.7
289.06812	0.6
306.07642	100.0
307.07919	5.8
327.41290	0.3
339.38171	0.3
434.35025	0.4
507.36108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51408	0.9
59.01251	10.8
65.99717	1.4
68.84984	0.9
69.03290	1.0
70.36304	1.1
70.36652	3.4
71.01247	7.9
72.99210	1.0
74.94448	1.1
80.79678	0.8
85.02802	2.2
89.02319	5.5
94.02863	10.5
95.03666	1.8
95.35213	0.8
96.04419	4.1
96.95887	1.7
101.02306	3.0
105.54622	0.9
112.03932	1.1
113.02319	2.7
119.03384	2.5
120.04419	1.9
122.05984	8.2
123.03086	1.1
124.03933	1.4
124.07523	2.7
134.02364	1.2
134.05963	1.5
136.07524	2.0
138.05472	3.5
146.06001	2.3
148.03932	20.1
149.04356	1.5
150.05527	4.2
161.04691	1.3
162.05476	2.8
168.06531	1.0
175.08600	1.1
176.07028	2.1
180.21959	1.0
183.24350	0.9
188.07118	1.6
214.25670	1.1
217.09772	5.7
219.11285	6.5
226.35211	1.0
228.10381	2.7
229.06165	1.5
229.09744	1.1
238.07565	1.3
239.08147	1.2
243.07658	1.3
253.09801	2.8
256.08481	2.5
261.08786	1.3
263.10312	14.5
264.10791	1.1
265.09821	1.5
266.10501	1.0
267.11377	6.6
268.12341	4.7
269.12851	7.5
271.10913	10.9
273.12372	1.1
283.10904	3.1
285.12402	2.4
297.08771	1.3
298.09525	1.3
300.11093	2.0
317.11462	1.7
359.03864	0.9
371.19952	1.0
390.18161	11.2
408.19223	8.4
409.19400	0.9
421.60489	0.9
434.17130	7.3
452.18265	8.5
453.18616	1.4
570.24225	1.9
588.25854	5.9
614.23767	5.9
632.24591	100.0
633.25159	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.7
57.03325	43.4
59.01252	12.5
61.19442	0.6
69.50897	5.8
71.01257	13.5
72.99188	0.7
73.02815	10.2
74.07428	0.8
83.01261	2.8
85.02824	4.1
87.00741	1.1
89.02320	4.1
96.95879	8.5
97.85873	0.7
98.19762	0.9
99.00763	17.2
99.04398	5.5
101.02321	20.4
109.02818	0.9
113.02341	7.9
115.11830	0.7
117.54567	0.7
122.05986	0.8
123.10103	0.7
125.02335	4.5
131.03400	2.0
135.04416	4.9
137.02403	0.7
143.03436	1.3
161.04480	5.1
163.03918	54.6
164.04478	3.0
178.06274	72.6
179.06792	3.9
189.04213	3.5
191.05551	3.1
193.08632	100.0
194.08922	4.5
201.57718	0.7
207.36365	0.7
242.10620	1.4
257.12915	7.6
293.08896	1.2
301.11935	6.8
329.11356	3.9
355.13889	1.3
373.10492	0.7
437.76541	0.8
469.16702	1.0
487.18219	76.5
488.18518	7.2
529.19250	32.3
530.19250	5.1
569.22528	5.4
631.22406	8.5
634.00537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.0
56.13309	0.9
57.03325	38.5
58.02846	1.1
58.03648	1.2
59.01253	14.7
69.41736	9.4
70.32378	0.9
71.01258	13.4
71.57692	0.9
73.02827	8.3
74.02350	1.3
83.01262	2.4
85.02826	5.4
89.02316	4.6
95.01236	1.2
95.04899	1.2
96.95898	9.2
98.19762	2.0
98.22340	0.9
99.00764	17.8
99.04382	7.0
99.05545	1.7
101.02325	19.1
102.05460	1.2
105.55657	0.9
109.02811	2.2
110.60551	1.0
113.02326	8.1
121.02869	1.6
123.04434	1.0
125.02364	5.6
128.03424	2.7
129.01811	1.1
131.03380	2.4
135.04414	7.3
137.02327	1.9
139.03917	3.0
143.03429	1.8
143.04504	4.4
149.04449	1.1
150.03267	1.2
151.03902	2.4
161.02350	1.3
161.04453	4.1
163.03925	51.0
164.04597	3.3
178.06276	72.0
179.06830	4.4
191.05553	3.3
193.08633	100.0
194.09021	4.9
200.71733	1.1
203.05560	1.7
254.07774	1.2
257.12946	2.2
272.08878	1.6
293.09006	2.8
301.11826	1.4
306.07617	8.4
469.17520	2.3
487.18243	74.9
488.18524	7.8
529.19269	24.6
530.19580	3.6
569.22888	4.9
631.21844	4.8
658.53961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	0.5
58.02850	5.2
59.01260	2.6
61.98701	0.5
66.03354	0.7
69.39980	4.1
70.02850	0.9
71.01264	1.4
72.00776	1.0
73.02803	0.6
74.02342	12.0
81.04446	0.8
82.02855	1.3
84.04424	0.7
86.02352	5.0
86.05997	0.8
86.98939	0.5
87.05520	3.0
89.02296	0.6
89.03882	0.4
90.00069	1.6
96.04431	0.6
96.95878	1.8
97.03951	1.4
99.00754	1.6
99.05518	11.7
100.00260	0.6
101.02336	0.8
101.07082	1.5
102.05486	1.9
109.03947	1.7
109.07592	1.0
110.02325	0.4
110.06026	0.7
111.05531	0.9
112.03920	1.2
112.95236	0.4
113.03448	0.6
116.01644	0.5
120.01114	0.5
122.03622	1.0
123.05497	0.9
124.03912	0.7
124.07568	0.5
125.02349	0.5
125.03474	1.3
127.05013	1.8
128.03433	30.8
129.03711	1.0
131.04494	0.6
135.04488	0.9
135.05531	2.3
141.06610	3.0
143.04530	43.1
144.04854	0.5
145.06068	1.4
146.04527	3.3
151.07512	0.8
153.06602	3.0
155.08159	0.8
159.99307	0.6
160.00645	9.9
165.01825	0.5
166.09782	2.1
167.04539	2.8
167.08147	1.3
170.03223	0.9
171.07613	0.7
177.03302	4.4
179.04553	7.9
181.06105	1.3
185.05594	1.2
191.05519	0.7
192.07713	1.0
193.06044	0.5
197.05595	1.6
198.08708	0.9
201.11237	1.0
209.11798	0.8
210.08786	7.9
211.09094	0.4
231.04201	0.4
242.07841	1.3
254.05145	0.7
254.07780	10.6
254.10304	0.7
272.08881	16.9
273.09396	1.0
288.06586	8.0
289.07065	0.8
306.07654	100.0
307.07944	5.4
467.33914	0.6
468.34180	1.2
587.27179	1.1
631.23688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	6.4
59.01244	0.8
66.03370	0.4
69.45517	2.8
69.45942	0.7
70.02849	0.7
71.01252	1.0
72.00767	1.1
73.02857	0.4
74.02345	12.9
78.02991	0.4
81.04469	0.9
82.02848	1.3
84.04418	0.7
86.02351	4.8
86.05988	0.9
86.98950	1.8
87.05515	3.6
90.00080	1.9
96.04413	0.4
96.95883	1.4
97.03945	1.4
99.00766	0.4
99.05512	11.7
100.00295	0.4
101.02356	0.4
101.07090	1.4
102.05490	1.5
107.05999	0.6
107.89001	0.3
109.03976	1.1
109.07620	0.4
111.05527	0.8
112.03908	1.9
113.02309	0.4
113.07088	0.7
116.01677	0.9
120.01162	0.7
123.05534	1.2
124.03886	0.4
125.02467	0.3
125.03440	1.6
126.01875	0.5
127.05006	1.8
128.03426	33.0
129.03743	0.7
131.04517	0.7
135.04520	0.6
135.05525	3.1
135.67902	0.3
137.07108	0.6
141.06616	2.4
143.04527	41.0
144.04890	0.7
145.06041	1.8
146.04500	3.4
151.03889	0.4
153.06587	2.8
155.08167	0.5
160.00645	12.0
166.09767	1.7
167.04515	3.3
167.08127	1.1
170.99573	0.4
171.04060	0.4
177.03294	4.9
179.04552	7.9
179.16512	0.4
181.06158	1.0
184.10828	0.9
185.05600	1.3
192.07730	0.6
197.05627	1.5
198.08849	0.4
210.08771	7.1
213.03314	0.4
228.09886	0.5
231.04382	0.6
242.07825	1.5
248.80273	0.4
254.07805	10.2
255.08075	0.5
272.08884	22.6
273.09274	0.7
288.06592	7.3
306.07645	100.0
307.07907	6.3
505.16312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03324	0.6
58.00435	0.5
59.01248	6.0
61.98709	0.4
66.23360	0.3
69.75726	0.3
71.01254	13.2
71.71592	0.3
72.99165	0.5
73.02814	4.6
83.01245	1.1
85.02830	3.8
87.00770	0.8
89.02326	4.0
94.02856	4.3
95.01269	0.7
96.95881	0.4
99.00757	10.4
101.02325	6.3
108.02052	35.9
109.02386	1.1
113.02327	5.0
125.02356	0.5
130.04166	0.5
131.03400	0.8
143.03429	1.7
143.04871	1.9
154.48833	0.3
155.04927	0.3
156.05724	0.4
159.02969	0.3
161.04460	5.9
171.04427	8.0
172.05208	4.4
185.11682	0.3
187.03934	0.3
191.05502	2.0
199.03946	5.3
200.04720	41.0
201.05043	2.1
204.04222	0.6
209.11694	0.5
211.13367	0.5
219.74918	0.3
241.08679	2.3
293.08786	0.9
336.12405	100.0
337.12714	10.5
462.83502	0.3
498.17569	0.7
630.21942	16.2
631.22095	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	630.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56568	0.4
54.98067	0.4
59.01254	5.2
61.98698	1.2
71.01259	5.2
71.58815	0.6
73.02809	1.5
80.91566	0.5
82.95296	0.7
83.01253	0.8
85.02839	1.4
86.70811	0.4
87.00745	0.4
88.30750	0.5
89.02314	2.9
90.98972	0.4
93.03320	0.5
96.73557	0.4
99.00755	8.4
101.02333	4.9
101.85290	0.4
108.02053	52.6
109.02391	1.6
110.02357	2.4
113.02341	2.3
123.12800	0.5
131.03416	0.7
143.03412	1.3
150.05522	0.9
155.80878	0.5
157.06485	2.2
161.04485	2.2
171.10121	0.9
178.54695	0.4
185.06006	100.0
186.06335	6.0
191.05547	3.3
199.09715	0.9
201.69469	0.5
209.11807	0.6
211.13417	2.3
212.13463	0.6
227.78299	0.5
253.09090	0.6
292.96051	0.4
293.08807	1.2
299.16428	0.7
311.22336	0.8
312.22766	1.0
336.12399	11.4
337.12885	1.1
404.11868	1.3
418.50507	0.6
594.27020	1.0
630.22089	6.3
630.31818	0.9
631.22577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.02545	0.1
57.03328	0.4
58.00480	0.3
59.01251	4.9
59.01537	0.4
69.03331	0.2
71.01254	11.0
71.52702	0.2
71.59182	0.2
71.59582	0.2
72.01599	0.2
72.99184	0.5
73.02819	4.9
73.03793	0.1
75.00743	0.3
80.02547	0.6
83.01260	1.6
85.02824	2.6
87.00755	0.5
89.02319	3.9
93.03336	1.1
94.02860	2.4
95.01248	1.6
96.95879	0.2
97.02834	0.5
99.00758	15.3
100.01034	0.2
101.02324	9.0
102.05491	0.2
108.02049	11.8
109.02911	0.4
113.02342	4.1
115.03937	0.2
117.03405	0.2
119.04901	0.4
123.04416	0.2
125.02349	0.5
130.04153	1.3
131.03441	1.0
131.04440	0.1
133.02840	0.7
133.55229	0.2
143.03416	1.9
143.04884	0.6
156.05721	1.1
158.03717	0.2
159.02974	0.2
159.04439	0.3
159.08031	0.3
161.04463	3.2
171.04378	1.1
171.10155	0.4
172.05156	0.9
183.04445	6.7
184.04837	0.3
185.11789	0.9
191.05542	4.2
197.11703	0.4
199.03949	2.1
200.04730	76.3
201.05063	4.9
201.11307	0.5
203.05501	0.4
203.07144	0.6
209.11743	1.0
211.13422	0.6
219.05051	0.2
221.08160	0.7
226.64026	0.2
241.08649	0.5
258.04929	0.2
265.60413	0.2
293.08774	2.1
336.12405	100.0
337.13156	8.5
497.16376	0.8
498.17542	0.3
630.21838	10.4
631.21503	2.5
631.30341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21656	0.1
54.58876	0.1
55.01765	0.2
58.00463	0.2
59.01249	3.0
61.98682	0.2
64.30022	0.2
71.01258	4.3
71.36095	0.2
71.36420	0.3
72.99181	0.3
73.02818	1.9
76.45258	0.1
81.02072	0.2
83.01254	0.7
85.02825	1.0
87.00748	0.4
89.02314	2.1
93.03359	0.3
95.01279	0.2
96.95921	0.3
97.02879	0.2
99.00758	7.0
101.01691	0.3
101.02324	4.3
108.02054	56.5
109.01580	2.6
109.02391	1.7
110.02378	1.3
113.02334	2.2
119.94830	0.2
121.18255	0.2
125.02338	0.5
129.06892	0.2
131.03423	0.7
143.03410	1.2
150.05507	3.4
152.93420	0.1
157.06493	2.3
159.86397	0.2
161.04475	1.3
173.06030	0.2
184.05132	0.8
185.06006	100.0
186.04659	0.3
186.06332	6.0
191.05534	2.3
199.09746	0.2
209.11737	0.4
211.13358	0.3
263.80313	0.2
274.93356	0.2
293.08701	1.6
306.07477	0.2
336.12415	14.1
337.12738	1.5
346.74777	0.2
444.15115	0.7
473.36490	0.2
579.46344	0.2
630.21924	5.0
630.32294	0.3
631.22125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57655	0.4
59.01250	4.7
66.28784	0.4
69.91625	0.4
70.34238	0.9
70.34651	1.4
71.01254	8.5
73.02824	2.7
73.66403	0.4
85.02816	1.7
87.00742	1.3
89.02315	3.4
90.72852	0.4
97.02837	0.7
99.00757	8.8
101.02322	5.1
102.04127	0.4
102.91323	0.4
108.02052	44.2
109.01579	23.9
109.02299	1.0
110.01923	0.8
113.02330	3.9
131.03392	0.9
143.03389	2.1
146.08546	0.5
150.05530	0.9
157.06477	1.6
161.04482	2.4
171.10109	0.6
184.05182	0.9
185.06001	100.0
186.06354	5.6
191.05576	2.9
199.09711	2.1
200.10004	0.9
201.11282	0.8
209.11757	0.5
210.12033	0.5
211.13316	2.6
212.13742	1.3
226.77365	0.5
253.09265	0.7
293.08740	1.6
336.12415	38.7
337.12769	4.2
613.32935	0.5
630.21906	10.9
631.21924	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	630.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.9
59.01250	4.7
67.38176	0.2
71.01255	8.5
71.07009	0.6
72.99191	0.3
73.02817	3.4
80.02560	0.3
83.01250	1.7
85.02824	2.2
86.75190	0.2
87.00755	0.6
89.02316	3.1
91.01784	0.5
93.03347	0.5
94.02860	9.3
95.01241	1.1
95.03195	0.2
97.02832	0.3
99.00755	11.9
101.02322	7.3
108.02050	11.0
109.02865	0.8
113.02328	4.1
113.03069	0.3
114.02657	0.2
125.02347	0.4
128.03490	0.3
130.04140	1.2
131.03378	1.3
133.06512	1.8
143.03412	1.6
143.04649	0.4
156.05728	0.7
161.04463	2.8
171.04448	0.7
172.05243	0.8
173.95129	0.2
183.04433	4.7
184.04846	0.3
191.05556	3.6
199.03902	1.5
200.04723	50.6
201.05067	2.9
201.11241	0.7
203.05534	0.3
211.13380	0.5
241.08682	5.6
242.08899	0.3
293.08707	1.9
336.12402	100.0
337.12827	10.3
460.11292	0.2
498.17755	0.2
535.18250	0.4
598.27606	0.3
630.21826	9.8
631.22162	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	630.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48275	0.2
50.64831	0.2
55.01760	0.8
57.03323	0.7
58.00469	0.4
59.01254	6.5
69.03307	0.3
69.47433	2.2
71.01254	16.1
72.99184	0.5
73.02823	4.7
73.73024	0.2
75.00751	0.3
83.01283	1.4
85.02830	4.4
87.00765	0.7
89.02316	6.0
89.45589	0.3
92.02608	0.4
94.02858	1.4
95.01257	0.9
97.02874	0.8
97.78814	0.2
98.20315	1.0
99.00760	11.1
99.10809	0.3
100.01122	0.3
101.02325	6.8
108.02050	14.1
113.02336	6.1
115.03886	0.3
117.03408	0.3
121.02810	0.5
125.02313	1.7
128.03455	0.2
130.04175	0.5
131.03410	1.0
136.71732	0.3
143.03430	2.3
143.04924	3.4
144.05591	0.4
149.04416	0.4
156.05678	0.6
159.02904	0.8
159.04301	0.3
161.04474	6.8
161.05824	0.3
162.03157	0.5
162.04832	0.3
171.04437	14.0
172.05211	5.8
173.05638	0.3
183.04329	0.3
185.11794	0.4
187.03983	0.3
191.05554	2.5
199.03952	7.3
200.04726	61.8
201.05081	3.6
201.11249	1.2
204.04224	0.9
209.11647	0.3
211.13345	1.8
233.06644	0.7
241.08757	0.4
253.09172	0.6
293.08740	1.9
313.63818	0.2
336.12411	100.0
337.12747	10.6
337.16867	0.5
498.17789	0.8
630.21881	16.3
631.22437	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	629.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14514	2.6
52.66174	3.1
53.16106	2.7
56.25945	2.7
57.03309	4.3
59.01253	70.6
61.98699	10.2
62.93614	3.0
64.54085	2.7
68.31281	2.7
69.03358	4.2
69.48438	14.0
69.48868	11.2
71.01255	44.3
73.02819	34.3
74.02345	5.2
80.96406	5.1
82.88052	3.2
83.01270	5.4
85.02818	10.7
89.02319	47.1
93.03347	3.7
93.38343	2.7
95.04906	3.2
96.95889	13.7
98.20543	3.9
99.00761	100.0
99.05523	6.2
101.02345	19.3
108.02014	6.0
109.02827	7.1
113.02330	16.1
121.02874	3.8
122.03636	4.5
123.04462	4.1
125.02331	9.5
128.03452	11.6
131.03409	11.5
135.04417	7.1
137.02370	4.7
137.05962	2.9
143.03482	4.8
143.04523	15.4
149.02408	3.6
149.04482	52.3
150.03181	4.6
151.03972	3.1
151.07590	6.1
151.48264	3.0
152.01035	5.7
155.03453	5.1
160.00562	4.4
161.02379	5.3
161.04480	8.3
179.04623	4.9
187.11159	7.6
191.05554	55.2
203.05595	20.6
205.12265	13.2
233.06609	9.8
272.08859	7.1
297.76871	2.9
306.07706	34.3
462.52505	3.5
478.12949	5.3
569.10797	5.2
585.21802	12.4
629.15356	5.5
629.35187	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	627.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37461	1.8
59.01253	76.2
62.80948	1.7
69.49217	12.9
71.01267	4.6
75.00725	2.0
89.02306	2.1
91.79145	1.7
93.03320	1.9
96.95918	3.9
98.19759	2.2
101.02336	2.9
122.03612	6.1
125.02283	3.8
135.04393	2.4
136.01556	1.8
137.02350	5.1
149.02350	30.6
150.03139	62.7
151.03799	6.0
161.02316	8.7
164.04710	7.7
165.05484	90.2
166.05829	5.2
176.04654	5.0
179.03395	13.3
180.04160	6.0
191.07062	2.6
194.05801	17.8
195.06564	100.0
196.03641	4.9
196.06837	4.3
209.08160	39.7
210.08420	3.8
262.11673	1.7
342.11060	8.0
357.13449	47.5
358.13733	3.8
369.08954	2.0
398.13382	1.8
405.15622	19.6
406.15686	3.1
627.15344	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	627.425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25556	6.5
69.25983	8.2
69.59348	1.2
69.96001	1.2
71.01256	12.2
79.52895	1.2
121.10083	1.8
125.99238	4.2
165.01593	5.6
171.10213	6.2
193.08351	2.2
221.07883	4.6
222.08691	100.0
223.09006	5.0
254.07680	10.7
275.20239	6.4
276.20480	2.2
293.21100	7.4
294.21475	3.1
311.22229	16.7
333.20477	90.3
334.20801	8.6
416.01236	1.3
516.29315	5.0
609.37189	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	625.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74947	1.7
51.42144	1.6
59.01246	5.1
61.98716	2.0
70.07999	5.8
70.08407	2.8
71.01251	2.9
80.02563	5.5
81.03358	2.4
83.04893	13.4
84.02040	2.8
89.96146	1.6
121.10147	12.3
137.09633	28.4
139.11166	9.8
153.09187	1.9
155.10741	10.3
165.12827	3.1
171.10185	42.0
193.08418	14.7
193.12195	4.6
195.14075	1.7
207.10011	8.0
209.08014	3.4
209.11664	5.3
231.09959	1.9
233.11559	6.1
247.20435	2.1
252.23149	1.8
263.20056	4.2
275.20169	34.3
276.20557	3.0
278.11392	2.9
287.19781	1.7
291.19666	19.9
293.21268	32.2
309.20737	35.8
310.21127	3.6
315.19287	5.6
317.17606	3.2
319.18918	9.4
331.18909	100.0
332.19296	10.4
349.19614	2.4
389.26077	2.2
406.27090	1.8
407.27197	3.4
503.26825	2.7
607.36609	5.4
608.37543	1.9
625.39795	12.4
626.40369	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	627.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07367	0.8
71.24001	1.4
96.95882	3.0
101.90861	0.7
108.02053	56.3
109.02856	9.1
151.03920	0.9
152.01062	44.1
153.01863	24.3
165.01903	1.5
201.13622	0.8
208.10225	0.9
285.06171	100.0
286.06613	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2101
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.43231	0.3
73.02859	1.3
79.42123	0.3
102.53539	0.3
123.12459	0.4
152.59305	0.3
230.13634	0.4
252.39563	0.3
291.57584	0.3
346.84503	0.4
423.15295	0.4
437.12393	1.1
438.13120	2.1
439.13937	0.9
450.13187	0.5
451.14169	1.4
452.14828	5.0
453.15427	0.5
465.15936	1.1
466.16418	1.0
470.16586	0.4
479.17313	0.9
480.13931	0.5
481.14960	9.2
482.15488	1.6
484.13718	0.7
493.15448	1.9
494.15533	0.7
495.16785	16.8
496.17053	4.0
507.16449	0.6
507.21393	0.4
508.18005	3.0
509.18579	2.3
512.13470	1.5
521.14758	0.7
522.15845	0.6
523.16589	1.0
524.16718	0.5
526.14893	1.3
533.18634	0.9
535.16187	3.1
536.17029	4.0
537.16949	0.8
539.15472	0.6
540.16925	3.7
541.16638	1.1
551.19391	46.7
552.19690	9.9
553.17737	0.5
554.17737	1.5
555.18616	2.1
556.19666	0.4
567.19293	0.7
568.15540	1.6
572.15637	3.0
573.15216	0.6
583.21771	0.4
586.17224	2.6
587.17651	0.8
595.18323	10.0
596.18774	2.1
600.18170	0.4
627.20947	100.0
628.21222	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	40.4
59.01256	11.0
61.98708	4.1
69.29325	11.5
71.01262	7.1
73.02835	1.4
74.32806	0.9
84.62651	1.2
85.02835	2.0
89.02328	2.1
90.78354	1.0
92.63280	1.0
96.95883	1.8
98.19958	4.1
99.04393	9.3
101.02318	10.0
104.46751	1.1
113.02338	1.7
119.04927	2.6
121.02962	1.2
125.02335	3.3
133.44223	1.0
135.04456	1.7
135.08060	1.7
137.02345	1.2
149.06024	3.4
150.06767	84.6
151.03859	1.3
151.07037	2.4
155.10690	2.5
163.07556	52.1
164.07935	2.8
165.09088	1.0
176.08350	2.4
197.11809	3.4
205.12460	1.0
207.10117	1.2
209.11691	5.3
209.15392	1.6
211.13380	1.5
218.13054	1.3
219.10440	1.1
223.29362	1.1
227.12976	1.3
235.13474	1.2
247.16972	1.7
260.17761	3.2
274.19464	2.3
275.20096	10.1
289.18164	2.5
304.16797	4.3
307.19122	3.1
318.18237	1.7
319.19122	100.0
320.19507	8.8
463.23303	3.3
481.24420	85.0
482.24704	12.0
523.25464	59.0
524.25763	7.7
563.28632	9.8
564.29077	1.4
625.28516	11.4
625.37134	1.6
626.28650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91444	0.7
57.03329	2.2
58.00461	1.5
59.01252	29.3
61.98689	0.9
62.97826	0.8
64.84070	0.7
69.78671	2.4
69.79093	2.3
71.01254	19.2
72.99170	2.6
73.02805	3.3
75.00761	1.5
79.18240	0.8
81.03336	1.4
83.01257	2.5
83.04897	0.8
85.02825	5.3
87.00754	3.4
88.54508	0.8
88.98679	3.5
89.02316	16.4
92.46269	0.7
93.03352	2.6
94.02760	0.7
95.01247	1.9
96.95921	1.7
97.02802	3.5
99.00780	2.2
101.02324	14.2
109.02843	1.8
111.08067	1.1
113.02338	7.5
114.98490	1.4
116.17879	0.7
119.03429	4.5
123.04399	1.9
125.02327	10.1
131.03471	1.1
133.02797	0.8
135.04420	1.6
137.02318	2.3
143.03404	2.4
149.02338	0.9
150.03130	1.4
151.03903	2.3
154.92458	0.7
155.24707	0.7
159.02989	1.0
161.02370	1.9
161.04469	2.5
165.05466	2.2
165.12776	10.4
173.92485	0.8
177.01823	1.4
179.03374	1.0
179.05544	1.1
183.13834	73.8
184.14146	4.1
191.05579	2.3
195.06570	1.1
201.05525	0.8
204.80135	0.8
209.11716	2.1
221.06586	1.3
227.12839	11.1
235.08205	2.6
289.07172	1.3
323.53812	0.8
397.13507	9.0
415.14636	5.3
518.40936	0.8
581.34558	1.1
625.27100	100.0
626.27496	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03315	1.2
58.00452	0.9
59.01251	19.0
69.03315	0.9
71.01253	17.3
71.54758	1.0
72.99181	1.7
73.02820	2.4
75.00770	0.8
80.02554	1.1
81.03339	1.7
83.01261	1.5
83.04897	5.8
84.02024	1.7
85.02835	3.8
87.00753	2.8
89.02319	15.2
93.03307	0.7
95.01281	1.4
95.04911	1.1
96.95883	2.3
97.02829	2.1
99.00745	2.2
101.02323	14.2
109.02867	0.8
111.00726	0.5
111.04431	0.6
113.02330	6.8
115.03866	0.5
119.03389	4.5
121.02880	0.6
123.00732	0.8
123.04405	0.7
125.02338	5.8
125.05991	0.7
131.03374	0.7
135.04433	0.9
135.08012	0.6
137.02348	0.9
139.03932	0.7
143.03386	2.5
143.04414	0.7
147.04466	0.5
149.02361	0.5
151.03827	0.5
153.05400	0.8
153.99442	0.5
161.04445	3.0
163.11200	4.7
165.12787	3.2
169.04980	0.6
179.05630	2.9
179.07018	0.8
181.12260	1.1
185.04370	0.6
191.05528	0.8
195.06638	0.7
199.13297	1.6
209.11769	100.0
210.12083	6.6
210.13940	0.5
215.24988	0.5
215.87746	0.5
221.06575	0.7
227.12846	18.7
228.13187	1.1
235.08171	4.9
253.09253	1.3
263.07834	0.6
287.07767	0.8
287.82742	0.5
289.07297	0.6
301.10757	0.7
305.08701	1.2
306.07581	0.9
310.03989	1.1
325.07147	0.8
390.16632	0.5
391.16736	0.5
397.13513	25.5
398.13965	2.5
403.14288	0.6
415.14590	18.8
416.15042	1.5
421.18500	1.2
444.10382	0.9
445.10388	2.0
563.21326	0.5
565.21698	1.8
566.89575	0.5
583.22705	1.4
625.16168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02629	3.3
57.03314	6.3
59.01249	76.6
60.01590	4.1
61.70517	2.9
65.00203	7.8
69.90443	3.4
71.01254	51.6
71.58827	5.8
72.99176	12.1
73.02820	8.3
75.00748	4.2
81.03357	5.2
83.01257	4.2
85.02803	15.8
87.00758	6.9
89.02317	43.9
90.43851	3.6
91.01784	5.5
93.03319	19.1
95.01266	10.3
96.95892	11.1
97.02836	6.1
99.00735	17.1
101.02348	27.5
105.03366	6.2
107.01281	4.2
109.02812	11.7
111.00781	7.8
113.02324	17.3
117.03351	28.9
118.55259	3.7
119.01289	7.0
119.03390	15.4
119.04925	6.9
121.02823	19.6
123.00762	8.4
123.04409	13.5
125.02315	18.3
131.01253	16.0
133.02861	14.1
135.00781	9.1
135.04433	17.0
136.01546	4.6
137.02365	23.4
138.03006	3.7
139.00294	4.6
141.01868	4.0
141.09070	3.4
145.02834	6.3
146.10576	3.5
147.04469	3.5
148.01546	5.4
149.02348	55.1
149.05988	3.4
150.03046	5.3
151.00279	9.5
151.03943	8.0
153.01837	4.5
153.05466	4.4
159.04468	6.1
161.02327	20.4
161.04457	5.2
163.00310	24.0
163.03909	12.9
164.01028	5.8
165.01837	18.7
167.03400	8.8
173.02403	8.2
175.00288	52.4
175.03874	5.4
176.00909	10.8
177.01851	35.8
178.02478	3.0
178.99812	4.8
179.03438	6.6
181.01283	4.7
183.04373	4.4
187.03914	6.4
189.01805	13.0
190.99799	6.8
191.03461	9.3
191.05466	8.1
192.00578	5.1
193.01314	24.5
193.05009	3.8
194.02011	3.9
195.06474	4.1
197.06029	6.9
199.03905	9.3
201.01845	5.7
203.03357	4.5
204.00706	4.5
205.01410	27.0
206.02081	5.3
207.02895	7.6
209.06076	5.0
209.11772	6.4
211.04097	3.5
213.05544	4.6
215.03432	12.2
217.01425	34.3
219.02875	7.5
221.00826	8.2
222.01488	4.1
225.05510	8.8
225.14865	4.4
227.03363	6.7
227.12830	10.8
229.05025	6.7
230.05902	3.4
233.00888	4.4
235.02409	10.2
237.05498	3.7
239.03488	4.5
241.05038	6.7
243.02921	3.5
243.06540	12.8
243.15886	5.5
244.16341	5.1
247.02542	4.0
251.03584	4.6
253.05034	19.9
255.03033	7.6
255.06653	3.6
257.04556	6.7
268.03540	6.1
269.04416	19.3
270.05307	4.9
271.05951	4.1
279.02957	11.7
281.04529	42.0
282.04797	5.6
283.06244	7.1
285.03900	9.4
293.04562	11.5
295.06107	4.5
297.03967	27.5
298.04703	9.2
299.05618	10.7
300.02789	22.1
301.03470	11.6
307.02396	17.3
308.03256	5.2
309.03970	11.3
311.05609	16.5
313.03561	10.1
314.04370	24.9
315.05051	9.6
323.05450	4.6
325.03339	61.3
326.03885	7.3
327.05042	13.2
339.04813	4.5
343.04529	99.9
344.05026	9.0
355.04630	11.8
373.05527	49.6
374.06052	4.1
383.06406	5.1
397.08054	3.8
397.13257	7.7
399.25204	3.7
405.11877	3.9
415.14578	4.0
445.07687	29.0
447.09573	9.0
461.10901	11.9
463.10770	8.1
465.10181	3.5
477.10159	6.3
487.09021	4.4
505.09842	90.3
506.10190	9.4
539.25726	9.4
579.13910	6.6
580.26874	14.5
581.18201	5.3
581.26996	30.1
592.14459	8.3
607.12891	24.2
608.13184	3.6
625.13922	100.0
626.14520	13.3
626.24359	3.9
629.55005	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	625.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38456	1.7
57.03316	2.2
59.01250	31.0
61.03656	1.6
63.76878	1.7
65.00191	3.5
71.01260	22.0
72.99171	2.5
73.02800	6.4
76.39248	1.7
79.01768	3.4
81.03308	2.6
85.02807	7.5
87.00713	3.0
89.02322	16.5
93.03310	3.9
95.01260	3.8
95.11800	1.8
96.95873	6.6
97.02805	3.4
99.00765	16.4
101.02306	10.4
102.01818	2.6
105.03365	2.4
107.01247	3.7
108.02051	13.2
109.02850	14.4
113.02339	9.9
119.03352	5.5
121.02886	9.9
123.00723	4.0
123.04427	4.3
125.02352	9.0
131.01244	5.8
133.02846	22.0
135.04391	4.8
137.02354	10.4
147.04259	1.7
148.01535	3.1
149.02339	21.0
149.04405	7.3
150.02980	2.1
151.00252	5.7
151.03864	5.0
152.01080	12.2
153.01872	11.6
155.45808	1.5
159.04367	1.9
161.02391	8.3
161.04465	3.7
163.00246	6.0
163.03871	3.8
164.00978	3.2
165.01834	10.6
165.05434	8.4
167.03333	2.0
169.71191	1.5
174.03123	2.6
175.00313	22.1
175.03911	4.8
176.00893	1.9
177.01813	10.9
179.03366	2.6
189.01901	8.2
190.99745	4.0
191.03381	6.8
191.05473	11.6
193.01297	7.0
197.05826	2.6
199.03813	2.4
199.13206	1.9
200.04712	1.8
201.01859	2.1
203.03391	2.1
205.01283	2.3
207.02879	4.1
209.11742	2.0
211.03891	3.1
213.01868	3.2
213.05411	3.3
215.03366	4.2
217.01277	5.3
225.05489	4.4
226.02657	1.8
227.03398	3.8
227.12888	21.7
229.04906	2.0
229.71983	2.4
231.02905	1.9
237.05455	2.9
241.04926	2.4
243.02859	2.6
252.04121	2.0
253.04906	7.3
255.02881	4.3
256.03662	2.2
257.04443	4.9
267.02798	2.3
268.03732	2.3
269.04486	7.7
271.02383	6.8
271.05527	2.1
279.02927	4.9
281.04581	10.0
283.02463	3.7
285.03949	3.3
295.02332	2.3
297.03937	15.4
298.04407	2.5
299.01898	2.8
299.05399	3.7
300.02765	46.3
301.03464	18.8
302.03769	2.0
307.02350	5.7
309.03976	2.6
311.05334	3.3
313.03476	13.7
314.04193	20.6
315.04828	7.4
325.03503	57.7
326.03827	6.0
327.04846	5.4
328.04993	2.3
342.03818	4.3
343.04562	81.4
344.05115	9.2
344.08615	1.8
355.04431	6.5
373.01053	2.6
373.05591	43.1
374.05630	2.8
385.05807	2.3
397.13489	6.6
401.08786	2.3
415.14212	4.9
419.17200	2.3
420.17078	3.8
421.17175	2.9
427.06573	3.4
445.07684	27.6
446.07910	3.1
461.10721	2.1
465.09988	3.5
493.22849	5.1
505.09900	67.3
506.09918	6.4
519.30426	1.8
521.26422	1.8
607.12769	6.3
625.14008	100.0
625.26868	12.7
626.14508	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	624.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85732	1.0
57.03329	1.0
58.02851	11.6
58.99473	1.8
59.01254	9.2
71.01249	6.7
72.99194	1.3
73.02836	1.1
73.28127	1.0
74.02350	21.3
75.00764	1.1
81.04448	1.2
82.02847	2.5
85.02847	2.8
86.02348	8.8
86.06013	2.2
86.98992	1.6
87.00730	1.0
87.05526	4.4
89.02328	4.4
96.95885	1.9
97.02864	1.0
97.03977	1.5
99.00782	1.8
99.05531	17.7
100.00278	1.1
101.02322	3.5
101.07092	1.9
102.01839	1.4
102.05476	2.7
107.06084	1.1
109.03980	3.1
111.00744	1.2
111.05514	1.7
112.03958	2.4
113.02342	3.2
113.03461	1.3
119.03411	1.6
120.01145	9.0
121.02847	2.1
123.05554	2.3
125.02345	4.1
125.03397	2.3
127.05062	4.4
128.03435	50.6
129.03778	1.3
135.04457	2.7
135.05562	5.7
137.02391	5.6
139.03952	1.5
141.06593	4.3
143.04530	64.1
145.06082	3.1
146.04532	6.6
151.03822	2.2
153.06630	3.8
160.00644	14.8
160.01848	1.2
161.02361	2.9
161.04520	1.0
161.06117	1.3
162.02734	1.5
163.03984	1.5
165.05496	2.6
166.09793	2.4
167.04579	4.7
167.08182	2.4
171.07571	1.4
175.00362	1.3
177.03297	5.7
179.03242	1.9
179.04570	15.4
185.05608	3.7
191.05551	2.2
195.06625	4.1
197.05653	3.3
199.13396	1.5
207.10271	1.3
209.11681	5.6
210.08765	17.0
214.24394	1.1
220.07269	1.0
223.06108	1.3
227.12766	3.0
234.60347	1.1
245.09373	1.5
254.07835	20.2
255.07936	1.1
272.08899	30.7
288.06570	9.3
306.07672	100.0
307.07965	4.2
332.09216	3.4
341.14484	1.0
342.10516	1.4
389.16025	1.3
390.16513	1.7
391.13858	1.9
397.13681	2.4
406.16330	2.3
415.14734	1.4
421.18698	12.3
504.15811	3.4
520.24628	3.1
564.21667	5.9
580.94830	1.1
582.22693	2.9
624.24847	4.2
635.25854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.8
57.03314	2.7
58.00462	1.8
59.01254	24.4
61.98686	2.1
62.56173	1.4
67.14405	1.2
67.38425	1.1
69.03313	3.6
71.01260	24.4
71.39097	3.1
72.99192	2.3
73.02821	5.7
75.50990	1.2
75.97185	1.1
81.03326	2.2
83.01276	3.8
83.04889	2.3
85.02815	9.7
85.99931	1.7
87.00747	9.7
89.02324	11.7
90.94261	1.3
95.04884	2.4
97.02835	2.2
97.99496	1.3
99.00787	1.3
101.02333	15.9
109.06455	3.2
111.08015	1.8
113.02315	9.6
114.85008	1.4
119.03403	2.7
119.04849	1.4
121.67219	1.3
125.02300	2.4
130.15865	1.4
135.08061	2.7
137.09694	2.8
143.03358	1.4
145.05037	6.7
161.04449	4.9
179.05484	1.8
203.14185	1.3
207.10245	1.7
213.14960	1.9
225.11238	2.9
231.17586	3.0
235.08218	14.0
237.14928	2.1
239.16479	2.7
251.95073	1.4
265.18137	2.7
275.16507	2.6
277.18015	2.0
315.26981	3.9
325.25363	6.1
326.25671	1.9
341.24902	6.5
343.22833	1.8
343.26178	7.6
351.23257	4.0
352.71860	1.3
359.25894	12.4
361.27322	2.9
369.24356	19.9
370.24646	3.1
387.25418	61.8
388.25629	6.4
405.26443	48.7
406.26785	5.7
479.30090	3.7
547.22784	2.0
595.34302	2.5
605.33136	2.2
623.34344	100.0
624.34729	20.2
644.91864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
57.85240	0.5
59.01250	5.8
60.52557	0.5
71.01273	1.7
72.59535	0.5
72.72998	0.5
73.02834	0.9
75.00748	1.1
85.02830	1.0
87.04414	1.0
87.60493	0.5
88.98678	4.0
89.02319	1.8
89.40970	0.5
101.02322	1.7
109.06490	0.9
113.02356	0.9
119.03385	0.7
123.04414	1.2
123.08056	1.0
125.02316	0.9
135.08063	0.9
137.02345	2.8
138.06761	0.6
139.11200	0.5
141.12708	0.8
146.38522	0.5
151.03905	1.6
152.04684	2.1
157.12228	1.2
169.12242	1.2
181.12120	0.5
185.11703	1.3
189.01785	0.6
196.03716	3.6
207.10156	0.8
211.06070	1.7
215.12856	1.2
272.61734	0.6
329.23422	1.8
349.68314	0.6
357.26428	6.2
358.26785	0.7
373.11569	1.9
373.25806	2.7
374.26340	0.6
375.27521	100.0
376.27887	11.1
376.32767	0.7
389.29129	1.9
390.58240	0.5
417.28607	1.9
428.72705	0.6
474.73206	0.5
541.62152	0.6
579.33575	4.3
581.31396	0.8
623.23761	3.5
623.35413	0.8
624.23511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3431
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01743	2.6
57.03322	2.1
58.00455	1.8
59.01249	25.5
62.02846	1.0
69.03320	1.3
71.01254	29.6
71.58212	1.8
72.99171	2.7
73.02811	7.2
81.03339	2.1
83.01257	4.3
83.04881	3.4
83.25314	1.0
83.59384	1.0
85.02824	9.6
85.99967	1.4
87.00754	11.3
89.02318	13.4
95.01265	2.1
95.04885	2.5
97.02814	2.9
97.06452	2.3
98.47240	1.1
99.00758	2.1
99.29832	1.1
101.02319	19.0
107.04916	1.6
109.06473	5.1
111.00729	2.0
111.04404	1.5
111.08044	4.6
113.02322	12.0
115.03857	1.0
119.03367	2.6
125.02319	4.7
133.06488	1.4
135.08041	2.9
137.09584	3.9
143.03400	1.7
145.04939	5.9
161.04530	6.4
161.05634	1.1
179.05513	2.5
181.12329	1.8
187.06035	1.1
189.70499	1.0
191.10834	1.1
195.13785	1.2
203.14304	2.9
207.10115	2.3
209.11931	1.3
211.13313	1.7
213.14856	2.5
225.11327	2.5
231.17474	1.9
235.08157	19.2
237.14882	2.1
237.18581	1.2
239.16473	4.1
241.18004	2.3
245.18918	1.1
247.13336	2.1
249.14984	1.3
251.16521	1.5
265.18045	3.5
267.19760	1.5
275.16492	5.4
277.17969	3.4
313.25433	1.3
315.26889	3.6
325.25378	9.6
326.25824	1.4
341.24829	5.3
343.26407	10.9
351.23352	3.7
359.25925	16.4
360.26151	1.4
361.27560	2.7
369.20020	1.6
369.24335	20.8
377.26968	2.9
387.25409	82.8
388.25702	8.2
405.26447	69.0
406.26752	8.1
479.30151	3.9
595.34857	2.8
605.32617	1.7
623.26025	3.7
623.34369	100.0
624.34711	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.7
58.42055	0.9
59.01250	18.2
61.98704	1.0
71.01249	9.8
71.58807	1.0
73.02824	5.2
75.00716	0.9
76.03291	0.9
80.52699	0.9
82.81878	0.8
83.01255	1.6
85.02815	3.0
87.00751	1.8
87.04372	1.4
88.98684	2.5
89.02315	5.0
93.03355	0.9
95.01286	1.1
96.95897	1.9
99.00749	5.4
101.02334	6.6
109.02843	1.2
113.02355	4.7
119.03421	0.8
119.04923	1.8
120.99513	1.5
121.02790	1.6
123.18453	1.0
125.02352	1.9
125.09679	1.1
134.03645	0.9
135.04449	1.4
149.04443	2.3
149.99713	1.1
150.03096	1.2
157.12231	1.7
158.53162	1.0
161.02336	1.0
161.04477	1.6
183.13867	2.3
185.11742	2.7
191.05498	3.4
193.04910	1.9
196.03731	1.5
199.13268	1.7
207.10228	2.5
225.11366	1.7
243.15933	1.3
329.23273	1.5
357.26529	10.7
358.26572	1.9
373.25958	2.0
375.27499	100.0
376.27817	10.6
389.28998	3.9
417.28635	4.7
428.83560	1.0
459.29578	1.7
563.30597	1.3
579.26257	3.7
579.33844	9.7
580.34460	1.8
581.32056	1.2
623.24927	2.1
623.34357	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	623.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.6
57.03305	1.2
59.01252	27.5
69.03326	2.4
71.01257	29.0
71.04900	1.8
71.58620	0.9
71.59083	1.1
72.99179	2.2
73.02827	6.8
75.00736	2.8
78.36607	0.9
81.03333	2.1
83.01256	4.6
83.04890	1.1
85.02823	9.7
87.00760	5.9
89.02328	13.5
93.03309	1.6
95.01244	2.3
96.95876	5.3
97.02836	10.2
97.06478	1.6
99.00761	20.7
101.01699	1.4
101.02328	18.2
109.02833	2.0
109.06465	3.3
110.03648	1.5
113.02320	10.6
119.03394	3.9
119.04903	1.2
121.02860	4.5
123.04392	1.1
125.02348	11.1
125.09568	4.6
127.03967	0.9
133.02826	3.1
135.04431	5.6
137.02339	4.4
139.00290	1.0
142.02600	3.7
143.03375	2.6
147.04440	1.2
149.02341	6.8
149.06052	1.2
150.03082	2.6
151.03935	5.4
152.00967	1.6
153.82050	0.9
161.02339	1.5
161.04463	5.3
161.09680	1.2
162.03104	3.6
163.03934	4.4
163.11159	9.8
164.04678	2.8
165.01796	1.4
165.05440	2.9
167.03413	2.4
173.06126	1.0
174.03134	1.5
175.03925	8.4
176.04654	2.1
177.05444	1.9
179.03470	1.1
179.05598	1.9
179.06981	1.6
180.04236	5.5
181.04897	1.3
181.12289	21.6
188.04694	2.4
189.05489	4.2
190.06288	10.0
191.03496	1.5
191.05560	1.4
191.07063	6.4
193.01347	3.8
193.04990	5.2
194.05769	4.6
195.06627	1.4
196.03783	1.4
199.13268	4.4
205.08643	8.2
207.06587	3.4
207.10205	61.8
208.03737	6.0
208.07301	4.8
208.10484	1.8
209.04335	1.2
223.06097	21.8
224.06418	1.3
225.11281	100.0
226.11612	6.9
235.08195	3.2
241.05067	1.6
243.12355	37.4
244.12592	2.9
257.08179	2.7
263.07687	3.2
271.02496	4.2
277.77081	1.0
280.43155	1.1
281.04669	7.1
284.03320	1.2
299.01996	6.1
299.04904	1.0
300.02734	3.0
305.08939	1.6
314.04474	1.2
315.05310	1.0
317.15964	3.2
357.13535	1.2
374.13809	1.4
389.16064	44.8
390.16360	4.7
397.13614	11.2
399.15271	1.0
415.14590	5.8
443.09586	3.1
479.21429	1.3
605.24005	1.2
623.17035	5.0
623.25580	96.9
624.26117	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	623.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89623	2.9
59.01254	72.3
67.62971	2.9
71.01260	38.1
71.44589	5.8
73.02839	20.1
80.20589	2.8
83.01273	4.4
85.02819	11.6
87.00719	4.7
89.02325	33.3
95.01237	4.0
96.95871	3.6
97.02864	3.0
99.00758	31.5
99.05862	2.8
101.02340	22.2
109.02896	3.1
111.00795	3.6
113.02341	17.4
119.03411	7.3
121.02844	5.0
125.02348	3.1
131.03333	3.0
133.02948	3.7
149.04482	9.0
150.03154	3.0
151.03938	3.2
153.09087	6.1
161.02335	3.7
161.04466	7.1
191.05568	14.6
203.05605	6.6
225.11183	6.7
225.26433	2.9
230.04965	2.6
243.15965	11.5
307.79501	2.6
373.12869	4.6
387.20279	11.8
405.21234	10.8
419.17264	15.3
420.17252	3.7
447.22592	5.4
519.24292	9.0
537.25037	14.9
579.26526	100.0
580.26917	10.8
623.25751	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	623.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86423	0.8
59.01258	4.2
64.61912	0.8
68.52895	0.8
69.38443	6.1
71.01237	1.8
75.71206	0.8
96.95873	2.8
97.51801	0.7
101.02315	1.3
109.02830	1.2
113.02348	0.9
120.99543	0.8
125.02281	1.1
137.02373	4.6
139.00211	0.8
145.02887	1.6
147.04462	1.0
148.97400	0.7
151.00278	1.2
151.03947	5.5
158.03531	0.8
161.02412	1.5
163.03943	4.8
166.02660	1.1
174.03163	3.3
175.03931	15.5
176.04657	3.5
177.05518	2.2
179.03416	1.9
180.04213	9.8
181.05038	1.1
188.04741	3.4
189.05493	6.9
190.06293	19.7
191.07059	12.4
192.04245	1.1
193.05002	8.9
194.05783	8.4
198.50763	0.7
203.07091	2.2
205.08643	18.6
206.08998	1.7
207.06586	6.7
207.10118	1.1
208.07353	11.7
209.07628	1.0
214.60080	0.7
222.08873	1.4
223.09753	1.1
225.11369	1.0
239.53264	0.9
314.04410	0.9
315.05124	1.3
315.94757	0.9
344.12680	0.8
359.11288	1.1
374.13776	2.8
389.16077	100.0
390.16440	10.3
419.17334	1.6
454.49878	0.8
519.31488	0.9
550.74866	0.8
623.16705	1.0
623.25757	0.8
639.24487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	38.3
71.01258	17.6
73.02827	8.7
85.02850	2.9
87.00764	1.9
89.02319	10.6
99.00771	10.4
101.02321	9.0
109.05807	1.7
113.02309	9.4
119.03381	2.7
143.03435	2.0
143.04607	1.7
147.10413	2.1
153.09125	2.4
161.04424	3.1
175.57901	1.7
184.03770	1.8
191.05525	3.5
225.14958	4.7
229.80412	2.0
243.16008	19.1
244.16452	1.9
248.57379	2.1
306.07776	2.6
387.20383	14.9
405.21494	4.6
447.22369	9.4
519.24847	10.4
537.25415	18.9
579.26599	100.0
580.27148	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	623.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66103	0.6
59.01252	9.6
66.49412	0.5
69.32233	5.7
71.01259	5.1
71.83952	0.6
72.99177	0.8
73.02831	1.8
83.01252	1.4
85.02821	2.8
87.00726	1.3
89.02323	2.4
94.60550	0.7
95.01241	0.9
96.95865	1.2
99.00780	1.4
101.02335	3.1
109.02820	0.9
113.02311	2.4
121.02850	0.9
123.00734	0.7
124.01565	0.9
125.02324	1.3
130.79327	0.8
135.04408	2.5
136.01530	0.6
136.53444	0.6
137.02350	5.5
138.03113	2.4
139.00273	1.1
139.03880	0.9
143.04549	0.7
145.02869	2.4
147.04448	2.2
149.02364	1.6
151.03899	4.5
152.04668	1.2
153.05467	2.1
154.02533	0.6
158.03619	0.7
161.02348	1.3
161.05933	1.1
162.03101	1.3
163.03874	4.7
164.04787	0.6
165.01822	1.6
165.05412	0.7
166.02617	0.7
173.02330	1.4
174.03145	3.1
175.03925	15.7
176.04657	5.3
177.05481	2.2
179.03409	1.7
180.04201	10.3
181.04843	1.0
187.03853	0.9
188.04747	3.6
189.05504	6.4
190.06276	19.8
191.03494	1.3
191.05605	0.5
191.07051	14.4
192.04250	1.2
192.07657	0.9
193.04987	9.3
194.05780	8.3
202.06229	1.4
203.07051	2.4
205.08636	17.4
206.05876	0.9
206.08984	1.2
207.06563	7.4
208.03677	1.2
208.07336	11.1
209.07822	0.6
221.08057	0.7
222.09024	0.8
223.06087	2.9
223.09631	1.4
225.11189	0.8
233.08177	1.5
255.06612	0.7
306.07608	1.8
319.09747	0.7
323.05515	0.8
341.10089	0.9
344.08853	0.8
358.10428	0.8
359.11267	1.6
359.61328	0.7
371.11386	1.8
373.12918	2.4
374.13730	3.3
389.16074	100.0
390.11752	0.7
390.16446	9.8
401.16177	1.0
419.17587	4.7
533.20178	1.2
548.19263	0.8
563.21332	14.4
564.21704	2.2
581.22333	6.5
623.23163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.1
58.00477	2.9
59.01250	100.0
61.20806	1.9
66.00630	1.8
66.10567	1.8
69.03344	2.5
69.58599	16.0
71.01253	63.7
72.99174	7.3
73.02819	47.7
75.00749	3.0
83.01250	15.9
85.02827	16.7
87.00761	6.0
89.02326	21.7
95.01275	3.7
95.51233	2.3
96.95895	9.3
99.00763	3.0
101.01690	3.9
101.02322	55.0
103.27696	2.1
108.09265	2.0
109.02820	6.2
109.06496	4.1
111.00742	2.3
113.02341	33.6
113.03088	3.7
119.03423	9.3
119.04911	2.4
120.99546	4.5
123.04399	3.0
125.02358	10.0
131.03389	5.3
134.03630	2.1
135.04379	6.1
135.98312	2.6
136.01486	2.3
137.02325	6.8
138.03229	1.9
139.03889	3.0
143.03400	5.2
149.02348	4.1
149.04448	6.4
150.03123	3.2
151.00285	3.4
151.03918	5.0
152.04698	3.3
153.05455	2.8
158.19029	1.8
159.04468	2.9
161.02406	4.8
161.04550	10.8
161.05763	2.5
165.05441	2.4
166.02661	6.7
167.03192	2.9
174.03116	2.4
175.03947	7.9
177.01881	2.5
177.05441	4.3
179.03415	2.5
179.05586	2.8
181.04956	7.6
187.03920	8.2
187.16228	2.0
189.05493	4.5
190.06277	4.6
191.03706	2.1
191.05495	6.9
191.07063	3.4
193.04959	3.0
202.06235	3.6
203.07097	2.8
204.04190	4.8
205.04974	8.8
207.10291	11.3
209.69427	2.5
219.06538	9.6
220.07303	8.7
223.06096	2.6
225.11310	8.9
235.09760	10.9
289.07184	2.0
328.39984	2.2
341.10162	10.4
356.12674	8.4
357.13037	2.3
371.10876	2.3
371.14975	8.3
389.15891	12.2
401.16037	80.0
402.16321	5.1
419.17126	6.3
427.16025	4.4
453.05475	2.3
519.31647	9.0
537.32526	3.2
563.21332	13.0
564.21466	2.3
581.22076	2.6
623.25983	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	623.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.01254	13.0
63.44974	0.6
69.26974	7.9
71.01255	5.1
73.02821	2.2
73.29115	0.8
75.00724	0.8
80.10078	0.7
81.03324	1.1
83.01254	3.1
83.04889	1.2
83.71910	0.8
85.02834	1.6
87.00723	1.5
88.98658	1.0
89.02328	1.4
95.04893	1.7
96.95895	2.2
98.19746	1.4
99.00771	1.1
101.02311	3.2
107.04910	2.4
109.02831	1.3
111.02378	0.6
113.02316	2.4
121.06458	1.0
123.00741	1.0
123.04411	14.7
123.45584	0.8
124.01550	2.5
125.02322	2.1
133.02834	0.9
135.04407	2.4
136.01514	1.4
137.02342	42.8
138.02666	1.3
139.03912	3.0
149.06009	1.2
150.03114	1.5
151.03915	41.9
152.04701	44.1
153.05023	1.6
161.04355	1.0
161.09612	3.4
161.13278	1.5
163.11203	2.2
165.05508	0.8
167.07080	4.9
177.01814	3.1
178.02626	7.5
179.03307	1.3
187.11189	3.6
189.09160	3.2
193.05009	8.1
195.02925	6.0
195.06253	0.7
196.03703	100.0
197.04115	5.4
203.10709	1.0
205.12292	1.6
207.10201	2.0
209.08163	1.1
211.06059	37.2
212.06467	1.6
223.13324	1.9
231.10257	0.7
249.11325	1.4
267.12335	1.6
291.12231	0.8
303.87964	0.7
308.28250	0.7
315.12411	0.7
355.10052	0.8
357.26468	1.1
358.09085	5.7
373.11392	37.8
373.25684	1.5
374.11600	2.1
375.27545	6.9
411.16510	3.4
535.21869	1.9
546.20367	0.8
548.18481	0.8
561.23468	6.0
562.23981	0.9
563.21368	6.8
563.30579	2.0
564.21704	1.3
579.33789	3.5
581.31738	1.6
592.37311	0.7
605.22321	2.9
623.23480	72.5
624.23767	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	623.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	4.2
59.01253	100.0
61.98721	15.2
69.48609	23.3
69.49020	5.0
70.49673	2.7
71.01262	36.4
73.02827	13.2
75.00785	3.2
78.95798	5.2
79.43158	3.1
79.95661	4.4
80.96413	4.0
83.01248	6.8
83.04916	3.7
85.02831	13.4
87.00761	9.3
89.02319	26.6
95.01261	4.3
96.95912	12.0
97.02849	12.4
98.20545	5.7
99.00788	10.5
101.02335	26.3
108.02052	32.4
109.06475	41.0
110.03661	3.2
111.04391	3.8
113.02324	18.6
119.04946	4.3
125.02319	7.8
131.03432	3.1
135.04398	5.6
135.08047	4.9
143.03445	5.6
145.01503	3.4
149.06006	3.7
161.04471	5.7
163.11177	18.7
171.10101	4.3
179.05464	4.8
181.12282	9.5
185.06003	68.1
196.03728	4.3
207.10214	89.9
208.10562	5.6
209.11960	3.7
225.11272	68.7
229.21127	3.0
235.08194	3.7
335.42383	3.5
397.13593	24.8
405.15500	4.3
415.14655	25.3
537.19958	13.5
577.18707	3.7
579.20721	15.9
579.29675	6.6
623.24847	72.9
624.25787	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	623.1621
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
55.01768	0.6
57.03350	0.6
58.00486	1.3
59.01252	28.4
69.51157	3.7
71.01257	15.0
72.99203	1.6
73.02824	2.0
74.02382	0.6
83.01279	1.2
85.02826	4.3
87.00775	1.0
89.02321	9.9
89.02830	0.6
93.03326	0.4
95.01295	1.2
96.95932	1.1
99.00784	1.2
101.02336	7.7
113.02337	4.8
119.03412	3.9
120.01185	0.4
121.02859	0.7
123.00805	0.5
125.02363	0.9
128.03461	0.8
132.02104	1.4
133.02910	0.8
135.04469	0.5
137.02394	1.2
138.03174	1.1
139.03963	0.6
143.03506	0.5
143.04568	1.3
143.87244	0.4
149.02370	2.2
150.03194	2.4
153.05515	1.3
157.56883	0.4
161.02361	0.6
161.04501	0.4
163.00330	0.5
164.04745	1.1
165.05490	2.5
174.03246	0.5
175.00334	1.4
175.03961	1.0
179.07048	0.5
187.03975	0.8
189.05502	0.7
190.06248	0.7
191.05501	0.8
193.01367	0.8
195.06573	2.2
202.06380	0.4
205.04951	0.4
207.10283	0.5
208.03638	0.9
223.06067	4.7
225.05370	0.5
225.11397	1.0
233.08098	0.4
243.06604	1.0
251.03587	1.1
255.03062	0.7
268.03812	0.7
272.08823	0.7
279.02850	0.5
280.03775	19.5
281.04187	1.7
284.03201	1.6
296.03290	1.5
297.03943	2.1
298.04776	5.8
299.05670	2.1
306.07635	3.1
306.10568	0.5
307.02457	0.6
308.03256	67.3
309.03766	6.4
310.04782	0.8
311.05646	1.9
312.06213	0.6
313.07108	0.9
323.05588	51.0
324.05963	4.6
325.07242	0.5
341.06659	8.4
341.10324	0.5
342.07095	1.0
344.05493	1.2
350.04297	0.8
353.06650	1.6
355.11880	0.7
358.10263	0.7
359.11273	1.0
369.67575	0.5
371.11203	1.3
373.12830	2.2
383.07999	0.5
389.16281	2.1
401.16220	0.7
404.14514	1.4
405.15207	0.5
419.17551	2.5
428.07361	2.4
443.09821	100.0
444.10132	11.0
503.11954	3.2
517.17340	0.6
548.18964	0.9
563.21271	14.1
564.21460	1.8
579.17560	1.1
581.22351	8.2
582.22705	1.1
614.97821	0.5
623.15942	16.2
624.16510	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	623.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85863	2.6
57.03312	2.9
59.01255	50.2
61.98674	2.9
66.02623	2.6
71.01251	23.8
71.57832	2.5
71.58294	5.2
73.02834	7.5
75.00754	4.9
80.96381	3.2
83.01279	3.4
85.02824	8.0
87.00757	6.5
88.98640	3.0
89.02315	12.6
91.01776	11.2
95.04916	3.0
96.95872	4.1
97.86182	2.6
99.00761	4.6
101.02330	11.2
108.02055	17.3
109.02860	11.4
109.06556	2.4
113.02386	6.2
121.02834	3.7
123.00761	4.8
123.04390	8.2
125.02361	9.8
135.00764	11.1
135.04445	3.9
137.02319	13.3
151.03935	18.9
152.01080	15.6
152.04672	9.2
152.12170	2.3
153.01855	6.9
161.02328	2.8
163.11198	3.8
165.05540	3.6
167.07040	2.8
185.11992	2.8
187.11342	3.0
191.05583	4.3
193.04971	3.4
195.02922	2.6
196.03708	20.0
197.05971	2.7
207.10208	6.9
211.06076	10.2
223.13263	3.7
225.11267	15.3
243.06627	100.0
244.06860	5.6
258.08835	2.7
357.26096	4.1
373.11496	7.6
374.26276	3.4
375.27405	23.6
387.10745	3.3
397.13382	4.4
401.25537	6.3
415.13416	4.0
418.95743	2.7
447.12866	7.2
454.87805	2.8
536.32794	3.0
578.32782	17.7
579.17505	24.3
579.33295	23.4
580.17413	4.0
623.24377	22.2
623.35028	7.3
654.80701	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	623.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82837	2.2
52.31073	2.0
57.03326	2.7
59.01253	36.5
59.82146	1.8
62.36672	1.6
63.14774	1.9
65.03835	4.3
69.45467	5.0
69.45884	13.4
71.01258	16.5
71.90249	1.9
72.99181	2.7
73.02827	5.6
83.01252	3.0
85.02821	8.1
87.00724	3.3
89.02337	7.3
91.01777	16.8
93.03343	2.5
95.01250	2.4
96.15926	2.2
96.95891	4.7
97.02782	2.4
99.00784	7.0
101.02312	9.7
108.02036	2.6
109.02840	63.6
113.02329	10.5
119.03381	2.2
119.04916	12.2
120.05244	3.3
121.02847	4.4
123.04381	6.1
125.02345	4.8
135.00777	27.0
135.04419	8.5
136.04753	2.2
137.02350	9.5
143.03375	2.7
147.04448	11.4
149.02353	5.4
149.06064	2.2
151.03914	6.5
153.01846	21.9
161.04459	2.4
161.06010	5.4
162.06317	2.2
163.03909	3.1
165.05507	19.9
166.05809	8.0
167.05934	2.7
191.05470	2.1
196.03751	3.4
203.10092	2.4
207.10245	2.4
217.05019	2.4
223.06024	3.3
270.33649	2.4
281.26352	1.9
299.05560	4.4
330.48880	1.9
373.11209	2.5
375.27426	7.8
385.11087	2.6
401.25223	2.8
471.11429	100.0
472.11731	6.8
502.16089	2.9
503.16586	4.1
563.30707	6.6
579.33740	3.4
581.31567	5.5
623.23932	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	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	56.6
61.98699	8.2
63.87111	4.3
69.03320	17.1
69.44895	44.1
71.01255	20.0
73.02818	12.5
83.55431	4.2
85.02835	9.6
86.57729	4.0
87.00720	5.6
88.98672	17.4
89.02331	12.1
96.95834	6.7
97.02823	18.9
98.19794	8.4
99.00787	13.3
101.02321	13.5
107.01231	8.7
108.02061	41.4
109.02877	11.2
109.06496	6.2
113.02335	12.6
119.04886	6.2
123.04440	5.7
125.02321	31.6
126.42850	4.4
131.57489	4.5
135.00812	31.4
135.04404	7.2
137.02368	8.4
139.63957	4.7
149.06004	4.8
151.00284	11.7
151.03883	6.2
151.34335	4.3
152.01053	100.0
196.03610	5.2
207.10191	16.0
211.06056	7.4
225.11232	14.8
242.05647	7.3
243.06607	57.9
271.18274	4.6
357.08130	5.7
397.13657	8.3
415.13306	6.3
429.10632	11.0
447.12943	8.3
471.11371	57.1
537.16083	11.9
579.17200	18.8
623.24756	11.4
623.34088	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	621.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89220	1.3
57.03321	3.9
59.01251	55.9
61.15441	1.6
65.71739	1.3
67.01745	1.6
69.03313	5.4
69.40993	7.8
69.41416	5.5
71.01249	31.7
72.99191	3.0
73.02824	11.7
82.24365	1.7
83.01264	4.8
85.02816	7.9
87.00740	6.2
89.02315	34.1
93.03329	3.0
97.02808	5.1
98.19699	2.2
99.00755	21.7
101.02324	26.9
106.74131	1.6
113.02333	13.3
119.03410	7.9
119.04894	7.0
121.02839	1.7
123.04392	1.7
125.02321	9.5
125.09594	2.2
126.45975	1.5
131.03400	2.6
133.04951	1.7
135.04416	3.6
136.04872	1.6
137.09538	2.2
143.03427	2.8
149.04420	7.2
149.09676	1.5
151.03926	2.3
161.04436	6.4
161.05997	2.9
167.03320	1.6
167.10689	2.4
171.10199	5.9
171.32260	1.4
174.16292	1.8
176.13367	1.8
179.05475	4.9
179.14323	3.5
185.11687	2.4
191.03981	1.7
191.05565	7.0
195.13855	12.7
196.03691	2.2
203.05557	2.8
205.12288	11.3
207.10185	2.2
223.13362	100.0
224.13692	5.6
229.14461	2.3
233.06714	1.6
235.08142	5.1
254.81261	1.5
263.07715	1.6
267.10327	2.8
305.08893	2.5
312.79129	1.5
355.24863	6.7
358.85873	1.5
373.25937	98.7
374.26184	10.2
397.13519	49.1
398.13794	4.1
415.14566	29.4
415.27112	2.2
416.14865	2.0
577.32306	13.2
578.32031	2.8
579.20978	1.9
621.23102	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	623.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36208	0.7
59.01253	15.0
65.00186	0.7
66.29354	0.6
69.03318	1.3
71.01251	8.5
72.99191	0.6
79.61805	0.8
81.03320	1.9
81.56265	0.6
83.38075	0.6
83.38627	0.6
86.01727	0.7
87.00838	0.6
88.05934	0.7
89.02316	8.2
91.01770	15.5
95.01268	1.5
97.02834	0.9
98.19666	1.3
101.02303	1.0
107.01215	0.8
108.02048	18.5
109.02873	5.2
113.02324	0.8
123.00751	7.1
124.01517	1.0
134.03612	2.4
135.00778	16.9
137.02313	3.9
140.25951	0.7
148.53667	0.7
149.02382	1.7
151.00247	2.3
152.01056	18.4
159.65306	0.7
177.01869	1.3
193.04991	4.3
197.06053	1.8
207.10204	1.4
213.05605	1.3
215.07190	1.2
225.11176	0.9
229.75569	0.8
233.32071	0.7
242.05911	3.2
243.06599	100.0
244.06921	6.2
257.35010	0.7
282.32651	0.7
358.76801	0.8
387.10806	2.3
447.13074	12.0
448.13486	1.0
471.11588	1.9
519.15295	1.1
537.16101	2.9
579.17163	55.6
580.17609	9.3
623.24847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27675	1.3
55.01753	1.9
57.03326	2.5
58.00441	3.1
59.01254	100.0
60.01584	1.6
61.08641	1.3
62.06932	1.2
64.22501	1.6
65.00175	2.4
65.26199	1.1
69.34534	11.1
71.01257	56.9
72.99199	6.9
73.02832	10.6
78.55935	1.4
81.05360	1.3
83.01280	9.3
85.02826	20.1
87.00751	5.9
89.02322	51.3
93.03320	2.9
95.01254	5.0
95.04858	1.7
96.61221	1.3
96.95892	7.0
99.00774	6.4
101.02323	36.8
107.01299	3.1
109.02842	4.3
111.00716	1.5
113.02335	34.5
119.03405	20.6
119.04898	11.3
121.02838	3.9
123.00761	2.2
124.01534	3.1
125.02334	6.5
131.03398	2.7
133.02849	1.4
135.04395	5.5
137.02322	9.0
139.03894	1.5
143.03384	7.2
149.02345	2.5
149.04440	3.0
151.00272	23.2
151.03915	5.6
152.04594	2.2
161.02460	1.7
161.04462	11.3
163.03860	1.9
164.04771	1.6
165.05469	1.3
166.02635	20.4
167.03311	1.9
175.03920	3.1
177.01834	4.0
179.03481	1.4
179.05582	8.2
181.04980	30.8
191.05510	5.5
193.05026	4.3
196.03696	2.4
205.08551	1.3
233.08081	2.1
241.62483	1.4
271.06033	7.2
339.12192	1.6
341.10184	2.6
342.10730	2.6
356.12543	2.6
357.13315	6.0
373.16360	1.8
373.25940	2.8
387.10358	8.2
387.14664	3.8
398.40005	1.4
399.19290	1.3
399.23575	7.4
400.24121	1.9
402.13034	6.4
413.16202	1.4
417.15564	50.6
417.24164	8.0
418.15869	6.2
497.96719	1.7
501.12366	5.2
517.30493	2.2
539.04938	1.5
561.20923	1.3
561.29059	34.6
562.29260	3.7
577.22632	2.4
579.30231	51.4
580.30438	2.8
603.23950	3.0
621.17218	10.6
621.31378	5.6
622.18671	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	621.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50349	2.5
84.47607	2.8
98.19733	3.9
106.07592	2.6
110.80009	2.5
121.74195	2.7
161.72235	2.9
167.09354	3.0
171.10031	4.2
261.17361	2.7
291.19714	5.2
293.21442	3.2
309.20715	4.0
311.22186	26.8
327.21716	3.3
335.84854	3.5
418.18982	3.8
433.20761	2.9
443.18744	5.1
444.19403	6.2
445.20526	14.8
446.21002	7.5
457.20346	9.6
458.20984	8.1
459.22726	13.4
460.22253	5.4
461.23618	6.3
471.17657	5.3
473.23151	9.2
474.20972	21.1
475.21136	5.8
485.19772	10.3
486.20514	36.4
487.21100	5.3
488.18875	8.4
489.22849	22.7
501.22983	100.0
502.23630	14.3
503.21313	3.7
516.18121	11.5
518.23529	14.4
527.20868	5.9
533.26117	26.6
534.25604	3.8
545.14404	5.0
545.22028	62.5
546.22388	12.4
548.20795	14.4
549.21667	5.6
559.23645	10.8
561.21887	4.7
562.22284	8.9
577.24396	17.0
578.24744	3.5
621.23126	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	621.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88495	1.0
59.01252	1.6
59.97803	1.2
67.26205	1.1
71.01250	2.8
71.44897	2.3
75.97881	1.0
83.01272	1.3
95.63992	1.0
96.95886	1.2
132.93840	1.1
133.09998	1.3
159.00200	1.3
161.02327	1.6
163.03909	1.7
175.07668	1.3
177.01990	1.2
189.05376	1.1
191.03348	2.5
191.05490	1.1
203.03474	2.6
204.04219	3.0
205.04980	5.3
217.05061	4.7
218.05811	6.3
219.06587	27.4
220.06860	1.6
229.04997	2.1
231.06680	3.1
233.04463	6.3
245.04500	6.8
246.05324	1.9
247.06093	11.0
250.04796	1.4
257.04449	2.2
259.06088	4.4
273.03900	2.0
274.48297	1.4
275.05618	49.6
276.05920	4.9
277.07245	1.6
287.05670	5.8
305.06677	23.5
306.06934	2.7
317.06534	3.0
341.36563	1.2
372.90472	1.3
381.09808	23.1
382.10013	3.1
411.10916	13.9
423.10822	1.7
453.11520	1.4
501.14139	21.1
502.14423	2.6
524.70685	1.2
531.15015	3.9
541.05963	1.3
621.18231	100.0
622.18646	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	621.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07869	1.0
59.01245	4.5
67.99014	1.2
69.52967	5.4
69.53397	3.8
69.76467	1.0
81.97478	1.1
82.19135	1.0
89.29835	1.1
98.19792	2.2
109.02843	2.4
109.98810	1.2
123.00795	2.8
125.02423	1.3
137.02330	13.2
149.02356	1.7
151.00276	23.6
151.03903	2.4
152.04762	2.7
165.01912	1.6
166.02631	69.3
167.03336	3.3
177.01823	3.7
179.03433	1.8
181.05000	82.5
182.05360	3.6
183.00706	1.3
190.06203	2.1
191.03513	1.3
193.04950	1.5
193.13628	1.2
207.06538	1.6
359.11447	1.9
387.10843	13.4
388.11090	1.4
402.13379	7.5
417.15555	100.0
418.15976	11.1
607.46136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62715	1.0
59.01251	5.2
61.98702	1.9
71.01230	2.4
71.13285	1.4
71.13587	1.7
72.00760	2.8
73.76723	1.1
74.00562	2.7
75.00734	1.4
82.02856	1.8
85.02798	1.2
86.98981	2.8
90.85235	1.1
96.52744	1.1
99.05521	1.9
100.03908	1.8
101.02319	1.3
101.07059	2.0
116.01657	1.4
125.03445	3.0
127.05005	2.9
128.03436	13.3
131.02721	1.5
139.02782	1.2
140.03215	1.4
143.04520	2.3
150.01631	10.2
152.03183	1.5
157.34442	1.2
166.04764	2.3
167.04288	7.6
168.01448	2.2
168.02681	3.4
171.10139	7.6
172.10547	1.4
175.04771	2.0
181.05881	11.4
183.08418	1.3
186.21201	1.1
193.05885	5.9
205.08405	1.4
207.01956	1.4
207.03831	1.6
207.07332	1.2
219.03877	2.6
221.03610	1.5
221.05438	17.4
221.11374	1.2
223.06882	2.5
225.03227	7.3
232.06894	1.7
234.07533	1.0
236.06464	3.9
238.06267	10.8
244.10725	1.4
250.08180	6.6
276.06152	12.7
277.04062	1.5
278.09540	1.9
294.07083	36.7
295.07431	1.7
313.17963	2.8
315.19431	2.5
326.04068	4.0
347.16568	12.9
384.15488	1.1
436.14578	1.1
491.22021	2.6
602.24896	5.1
620.26172	100.0
620.90271	1.4
621.26343	16.9
642.60077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61313	1.3
57.03325	1.4
59.01252	21.8
59.92583	1.3
63.68286	1.1
69.30518	14.4
71.01257	14.4
72.99176	1.4
73.02824	7.8
83.00424	1.3
83.01263	2.9
83.02400	3.6
85.02814	7.5
87.00765	1.4
89.02322	5.1
91.05413	1.5
93.03339	4.7
96.95895	7.4
99.00748	4.4
101.02345	7.8
109.02160	1.3
109.02856	5.3
113.02322	7.4
119.04921	78.7
120.05251	2.7
121.02852	100.0
122.03190	3.2
123.04456	1.8
125.02364	9.1
125.41093	1.4
135.04425	25.0
137.02361	3.7
137.09619	1.3
147.04430	1.7
150.03055	1.9
150.23189	1.4
160.66229	1.3
163.03853	1.8
165.05540	2.0
176.79048	1.3
185.11758	1.8
191.05527	3.0
193.05078	3.1
199.45395	1.5
201.11240	6.5
211.06250	1.3
241.08676	37.5
242.08917	1.7
253.09331	1.9
276.91891	1.5
285.07407	1.5
369.71173	1.4
373.26010	8.9
445.14435	2.9
457.13376	8.3
528.15796	1.5
535.18158	10.3
561.29382	2.4
577.19086	23.8
577.32178	8.7
578.19440	4.8
579.30359	2.1
597.32440	1.5
621.35602	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	619.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82633	1.0
59.01255	13.5
69.99945	0.9
70.14149	4.5
71.01258	4.0
73.02798	3.1
79.84576	1.0
80.35470	1.1
85.02841	1.9
89.02303	1.0
93.06976	1.2
94.06490	1.0
96.95897	2.0
101.02334	2.9
113.02316	2.1
125.09596	3.3
128.03551	1.2
135.04427	1.0
153.09076	1.1
155.10655	1.7
171.10170	8.8
185.11679	1.4
227.12895	1.4
228.59019	1.1
237.05911	1.0
248.05014	1.1
249.05927	3.6
341.23322	5.9
353.23312	6.2
355.10107	2.1
356.11029	1.9
371.13681	6.4
371.24368	100.0
372.24744	11.6
413.25351	2.2
448.23746	1.1
465.71121	1.1
533.18823	5.0
575.30792	2.5
619.32013	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	620.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.0
61.98700	1.4
71.01254	3.5
73.02816	1.9
83.65704	0.8
85.02820	2.0
87.00803	0.9
93.03337	2.0
96.95895	2.3
98.20512	1.7
101.02341	1.6
106.36266	0.8
112.74319	0.8
113.02353	1.0
119.04912	11.3
135.04411	1.2
137.02353	1.2
138.98523	2.3
139.98280	1.4
139.99292	16.3
147.04320	0.9
151.99255	1.3
153.00038	1.3
165.00064	1.4
166.97993	3.2
167.98755	1.4
178.98059	1.6
179.98782	3.2
180.99568	2.0
182.00342	1.1
191.05492	1.5
191.98785	4.8
192.99564	8.6
193.03212	4.3
194.00287	1.4
196.03601	1.2
203.07060	3.9
204.99583	18.8
206.00336	11.3
207.01183	1.5
207.02969	1.7
207.04790	24.0
208.05519	8.3
209.06300	4.8
215.12692	1.1
221.06352	11.4
223.04413	1.8
233.02682	0.9
233.06270	1.2
235.04309	7.3
236.05090	37.7
237.05838	20.6
239.07446	3.0
248.05107	37.4
249.05875	85.5
250.06348	8.6
251.07452	11.6
252.07782	1.0
265.08972	1.1
327.10504	3.3
343.24887	1.7
355.10083	23.7
355.24835	2.3
356.10840	58.1
357.11206	6.1
371.13208	100.0
372.13443	13.3
373.25931	16.3
398.10385	2.6
411.10767	2.0
413.12543	1.1
458.16476	2.7
518.16107	16.9
519.16473	2.1
533.18500	67.2
534.18866	9.4
576.31140	1.2
577.32104	6.7
620.21771	1.5
621.22284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03331	0.3
58.00467	0.4
59.01253	14.3
69.03318	0.4
71.01255	11.3
72.95084	0.2
72.99174	0.8
73.02828	5.5
75.00750	10.9
81.03344	0.6
83.01266	1.5
83.04900	3.7
85.02824	4.1
87.00761	0.6
89.02326	3.0
93.03314	1.1
95.01256	0.7
95.04927	0.3
97.02835	0.6
99.00761	6.1
101.02328	4.9
106.04125	0.9
107.04932	0.3
108.02086	0.6
109.06453	0.3
113.02335	7.0
119.04919	66.8
120.05237	2.3
121.02816	0.5
121.06504	0.5
125.02300	1.2
125.12413	0.2
130.31494	0.2
131.03394	1.0
131.04904	0.8
132.05711	1.1
133.06528	0.4
135.04378	0.3
143.03400	0.8
148.08792	0.3
149.09613	0.2
151.11194	13.0
152.11513	0.4
158.07303	0.5
159.02884	0.5
161.04474	4.6
163.11192	0.3
177.12746	2.8
191.05565	0.6
201.01083	0.2
202.04440	0.2
203.05531	0.9
203.07632	0.2
214.09909	2.3
215.10640	1.1
246.08891	0.5
255.17616	0.3
275.07690	0.5
283.17032	100.0
284.17383	8.3
293.08829	0.3
302.89285	0.3
325.18048	0.3
373.67752	0.3
383.22226	0.5
438.67883	0.2
445.22391	0.5
450.25052	0.2
487.23383	0.4
535.68243	0.3
559.25299	0.6
566.84418	0.2
577.26538	14.9
578.26996	2.3
619.27496	13.1
620.27893	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2562
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
62.63163	0.8
66.39246	0.8
71.53927	1.3
72.56530	0.9
77.58001	0.8
81.08004	0.7
82.35571	0.8
96.95641	0.8
110.95975	0.8
111.71252	0.7
116.38188	0.7
164.01431	0.8
389.15329	1.2
401.14099	2.9
402.14410	1.2
415.15735	3.7
416.16400	12.9
416.21405	1.5
417.16840	1.3
429.17520	1.2
430.17892	3.2
431.18781	1.8
444.16144	1.3
458.17450	1.6
459.18268	100.0
460.18604	13.8
473.19864	14.9
474.20331	5.9
501.19498	1.7
503.17197	3.0
517.18561	2.2
518.11774	1.5
518.19617	43.3
519.19672	7.0
532.21088	8.5
533.21930	98.5
534.22168	14.1
587.22986	6.8
588.23523	1.1
619.25623	60.6
620.25757	11.1
621.16821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.5
61.98686	0.6
71.01252	6.4
72.99203	1.1
73.02821	1.2
83.01295	0.5
85.02825	1.5
87.00758	0.8
89.02316	5.4
93.03326	0.8
96.95885	1.5
97.02875	0.5
98.19809	1.0
99.00723	1.2
101.02315	2.5
107.04906	5.0
108.02067	1.3
109.02840	1.8
113.02325	1.8
119.03361	0.6
119.04926	1.9
121.02882	0.8
122.03655	0.5
123.04401	0.5
131.03407	0.7
134.03621	4.2
135.04417	100.0
136.04739	3.4
136.19289	0.5
137.02345	1.6
145.10179	0.5
147.04422	1.7
149.05948	0.6
161.04462	1.0
162.03229	0.5
163.03853	0.5
166.02647	2.5
171.10201	1.6
172.21490	0.6
173.06006	1.8
177.09132	4.2
185.06021	1.7
189.09145	90.0
190.09486	6.0
203.10725	5.7
204.11043	0.7
209.11763	1.3
325.14462	37.8
326.14728	4.0
383.22275	0.8
429.14047	0.6
469.18576	1.6
487.19711	10.8
488.20001	1.1
537.19403	0.9
619.23883	43.4
620.24091	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	619.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
58.00460	1.2
59.01251	25.5
61.98699	1.8
65.03815	2.2
69.89868	8.3
71.01254	13.8
72.99150	1.8
73.02808	5.3
75.00733	1.4
79.05399	1.5
82.81462	1.3
83.01255	1.9
85.02816	4.7
87.00755	2.2
89.02307	5.9
89.28723	1.2
91.05408	11.2
93.03323	5.6
96.95890	27.5
96.96818	2.8
97.02793	1.5
99.00759	12.5
101.02319	5.8
103.05476	1.3
107.04890	3.6
108.02036	5.7
109.02851	11.4
109.06449	2.8
113.02330	4.8
119.04894	10.3
121.02841	60.7
122.03665	2.9
123.04402	5.0
125.02280	1.8
133.02870	2.0
134.03622	17.4
135.04416	100.0
136.04721	3.4
137.02342	3.3
147.03304	1.6
147.04434	21.7
148.05188	6.6
149.02345	3.2
149.04463	2.8
149.05991	4.4
150.03154	2.2
159.11699	1.5
161.04420	2.5
163.03874	2.6
170.95343	1.2
171.10153	5.2
172.10519	2.3
175.04005	1.9
177.09111	16.9
182.02113	1.5
189.09145	59.1
190.09444	3.0
191.05544	3.3
191.07086	2.9
193.08630	1.8
203.10719	76.3
204.11064	4.5
205.08643	22.3
209.11725	3.0
215.10730	11.9
217.08556	2.9
218.09416	4.7
219.10226	11.8
231.10178	1.5
243.06589	2.5
283.06009	2.1
325.14468	30.6
326.14804	4.1
353.23383	1.8
353.55936	1.4
355.15503	6.9
363.37064	1.7
370.30313	1.5
371.24347	2.6
403.12329	3.2
415.12500	14.2
428.39343	1.8
429.14029	30.7
430.14401	2.3
441.13824	2.7
486.17191	2.6
487.19489	5.3
499.29199	2.6
515.28644	1.5
533.30017	1.6
550.17432	2.4
559.14233	2.3
575.31012	9.1
619.23914	86.6
619.31976	3.2
620.24243	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	619.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.5
61.98686	0.6
71.01252	6.4
72.99203	1.1
73.02821	1.2
83.01295	0.5
85.02825	1.5
87.00758	0.8
89.02316	5.4
93.03326	0.8
96.95885	1.5
97.02875	0.5
98.19809	1.0
99.00723	1.2
101.02315	2.5
107.04906	5.0
108.02067	1.3
109.02840	1.8
113.02325	1.8
119.03361	0.6
119.04926	1.9
121.02882	0.8
122.03655	0.5
123.04401	0.5
131.03407	0.7
134.03621	4.2
135.04417	100.0
136.04739	3.4
136.19289	0.5
137.02345	1.6
145.10179	0.5
147.04422	1.7
149.05948	0.6
161.04462	1.0
162.03229	0.5
163.03853	0.5
166.02647	2.5
171.10201	1.6
172.21490	0.6
173.06006	1.8
177.09132	4.2
185.06021	1.7
189.09145	90.0
190.09486	6.0
203.10725	5.7
204.11043	0.7
209.11763	1.3
325.14462	37.8
326.14728	4.0
383.22275	0.8
429.14047	0.6
469.18576	1.6
487.19711	10.8
488.20001	1.1
537.19403	0.9
619.23883	43.4
620.24091	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	619.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
59.01253	35.9
71.01255	15.1
71.59083	1.8
71.59487	2.2
73.02816	9.4
75.02988	1.3
76.39964	1.4
78.95779	1.6
79.05415	1.4
81.33889	1.3
83.01270	2.2
85.02827	5.5
87.00742	2.2
89.02307	6.0
91.05384	1.3
93.03321	8.9
96.95894	8.9
99.00751	7.5
101.02322	14.1
107.04890	1.9
108.01965	1.3
109.02849	8.3
113.02336	7.1
119.04920	57.8
120.05258	1.8
121.02828	9.8
123.04410	6.6
123.08050	1.6
125.02332	3.3
134.55330	1.3
135.04420	100.0
136.04790	4.1
137.02367	1.8
147.04460	3.8
149.04463	5.9
149.05986	20.8
151.03917	1.7
161.04459	4.9
161.05869	2.9
163.07567	1.5
163.33061	1.3
165.05461	1.4
166.02640	2.4
171.10211	1.3
175.07582	4.9
180.06494	1.7
187.07568	15.2
189.05386	1.2
189.09126	5.3
191.05515	4.1
193.08704	1.5
201.09160	6.9
205.08659	63.0
206.08908	3.8
216.07857	2.5
217.08594	1.9
219.10219	3.9
231.10248	1.8
233.06691	2.4
236.05035	2.2
249.05873	3.8
293.08835	2.7
307.13281	7.1
325.14426	8.7
353.13876	9.1
353.23325	1.8
356.10876	3.6
371.13852	5.0
371.24451	9.2
376.45789	1.7
429.13809	11.8
430.13913	1.4
475.08670	1.4
487.18912	4.8
499.18222	21.5
500.18683	2.5
533.18542	2.9
575.22144	2.3
575.30823	29.7
576.30988	3.2
619.24017	17.9
619.33258	2.6
620.23907	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	617.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06046	1.6
55.47221	1.5
57.03321	4.0
59.01247	2.6
71.04889	2.3
71.07748	1.5
78.95778	3.1
81.03282	2.1
97.02810	2.6
101.02321	25.7
107.04944	2.7
109.06464	2.0
123.04447	6.6
123.08025	9.4
125.09610	3.2
137.09608	6.0
139.11195	5.0
142.02647	3.4
148.08849	2.3
149.67459	1.6
150.50430	1.7
151.11172	9.2
153.12714	2.1
155.14439	2.0
171.10170	13.8
171.11433	1.9
177.12689	2.5
185.11696	3.4
195.13843	3.6
198.90718	1.8
199.13333	17.8
201.11287	3.3
209.11832	1.8
213.11336	2.7
221.11740	5.6
239.12892	3.5
245.19052	8.5
247.20656	8.0
255.23318	1.6
271.17047	2.6
289.18097	56.4
290.18491	3.5
291.19656	100.0
292.20038	8.8
307.19153	84.6
308.19547	7.2
309.20718	81.4
309.24292	3.6
310.21005	6.0
312.89581	1.8
325.20227	5.8
353.96964	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	617.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.0
59.01240	1.9
71.01292	1.4
71.13754	3.2
74.38574	1.1
74.69880	1.0
81.63649	1.1
97.06469	1.3
99.31303	1.1
100.16644	1.1
101.72848	1.3
107.08566	1.1
111.08036	6.8
123.08080	1.7
125.09654	10.2
127.11191	2.8
137.09615	4.8
139.11143	4.2
141.09154	1.2
151.11139	1.7
153.09100	2.0
155.10631	1.7
167.10750	2.6
171.10234	5.8
175.83270	1.2
183.10167	1.3
195.10109	1.9
199.09651	2.0
199.13275	2.0
201.09532	1.7
201.11249	19.2
209.11852	1.9
211.05267	1.3
213.11299	17.9
214.11830	2.3
217.11014	1.5
218.51720	1.2
227.12842	3.2
240.13681	2.0
245.19087	1.7
250.12022	1.4
257.59235	1.1
289.18076	8.5
291.19687	20.3
292.20087	1.2
307.19141	18.5
307.25195	1.2
309.20700	100.0
310.21069	8.5
325.20212	42.1
326.20633	3.1
352.23093	1.4
599.39124	1.6
617.41077	1.9
626.43079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67923	2.0
57.03323	2.4
59.01252	13.3
67.14769	1.8
69.53365	16.0
71.01245	2.6
73.02830	2.1
79.77123	2.1
89.02309	2.1
91.05396	14.7
93.03345	5.2
96.63122	1.8
96.95888	3.1
98.20513	4.6
101.02318	2.7
109.02835	36.1
113.44825	2.0
121.02851	42.3
135.04425	100.0
135.90555	1.9
136.04749	4.0
147.04417	10.4
149.02330	3.5
150.03123	5.0
151.03859	3.7
159.04457	2.4
160.05208	2.0
164.04669	2.2
175.07542	2.3
177.05516	2.6
187.07605	2.6
188.08284	3.4
189.05458	2.1
189.09135	3.1
190.06239	2.3
193.04973	4.1
203.07101	11.0
204.07898	8.1
205.08583	3.3
207.06631	4.3
215.07091	2.5
216.07823	13.9
217.08633	12.3
218.09140	2.0
219.10199	6.3
221.08150	3.8
222.08842	3.8
229.08719	2.9
231.10258	8.5
233.08174	4.8
234.08925	15.2
235.09673	17.1
245.08214	2.5
246.08875	2.5
249.11316	13.3
261.11240	6.3
279.70032	2.2
298.93835	2.2
339.12469	9.6
341.13904	2.4
353.13913	9.7
371.14978	77.4
372.15189	6.1
396.03403	2.1
557.19891	2.6
575.21143	22.2
575.29346	2.9
576.21246	4.7
579.59668	2.3
641.19379	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	617.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.8
71.01262	3.4
71.57660	0.5
73.02813	0.9
80.02541	0.9
81.03320	1.1
83.01263	0.5
83.04897	3.5
84.02035	0.6
85.02833	1.0
87.00749	0.9
89.02316	2.6
95.01291	0.4
95.04945	0.5
96.95898	0.7
99.00755	1.3
101.02315	3.1
109.06518	0.4
113.02336	1.8
119.03374	0.9
119.04932	1.1
125.02336	0.4
125.06030	0.4
125.09640	1.0
127.11174	1.5
135.04401	0.8
135.08035	0.8
149.04489	0.4
153.09114	0.8
161.04480	1.7
163.11200	2.9
165.12769	1.8
171.10179	100.0
172.10526	4.4
175.31210	0.5
189.09137	0.8
191.05559	0.7
191.10699	0.7
194.83551	0.4
197.95805	0.4
199.13287	0.6
209.11769	85.8
210.12129	4.8
223.30330	0.4
227.12857	11.3
235.08199	2.9
253.09251	7.8
290.48328	0.5
298.31970	0.4
396.23529	0.4
407.19156	1.3
445.20572	0.9
524.67542	0.4
573.28943	0.5
599.30084	0.4
617.22327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12275	2.8
71.59186	3.6
78.95782	41.0
96.96849	8.1
102.69030	3.3
107.04900	3.6
111.08052	9.9
115.60250	2.9
123.08021	9.9
125.09615	29.6
125.49968	2.8
127.11163	5.3
137.09608	10.4
139.11147	5.3
142.02631	3.2
151.11201	6.1
171.10115	15.5
193.99304	2.9
195.10187	6.9
199.09657	6.8
199.13347	13.7
201.11259	38.0
209.11719	4.7
213.11272	37.7
214.70746	3.3
227.12926	7.7
263.20261	2.9
279.23560	4.7
289.18085	50.6
290.18365	3.3
291.19638	25.1
307.19144	85.5
308.19278	4.5
309.20721	94.2
310.21078	9.6
325.20181	100.0
326.20557	5.9
352.75629	3.1
357.08783	5.0
475.74429	3.5
599.39398	8.1
617.31049	6.3
617.40076	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	617.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30201	1.3
57.03318	3.3
59.01266	2.2
71.16299	2.6
78.95762	4.9
92.74212	1.6
97.06469	1.6
104.69968	1.6
111.08012	1.6
111.22945	1.3
118.60928	1.4
123.04437	3.6
123.08067	9.4
125.09626	7.8
137.09685	2.3
139.11169	5.0
142.02565	2.4
151.11139	1.6
155.14220	2.1
171.10167	5.5
199.09677	4.1
199.13345	15.5
200.10446	4.5
201.11267	6.6
209.11784	1.7
213.11440	3.0
221.11798	1.8
245.19054	5.2
247.16959	2.1
247.20544	3.9
263.20154	2.5
271.17111	2.0
289.14838	1.9
289.18100	56.9
290.18393	6.5
291.19739	9.8
307.19159	83.8
308.19467	5.2
309.20709	100.0
310.21234	9.2
325.20163	7.8
360.64606	1.5
380.25906	1.6
426.09790	1.4
570.31177	1.7
617.39819	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	617.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.2
59.01252	71.6
61.98695	3.9
69.32843	19.4
71.01257	35.1
72.99190	4.4
73.02810	21.2
73.55733	2.0
75.80576	1.7
78.95779	5.7
79.95639	3.3
81.03343	2.5
83.01228	2.8
85.02838	12.9
86.02391	2.2
87.00722	4.5
89.02320	30.6
96.95892	100.0
96.96865	6.2
98.19852	4.9
99.00762	63.1
101.02323	15.8
109.02826	2.2
111.00705	2.3
113.02339	15.5
114.34936	1.8
119.03368	5.0
119.04896	3.9
123.00715	2.5
123.04453	2.9
125.02337	9.6
128.03427	4.4
131.03413	9.2
135.04417	3.3
137.02338	4.5
139.03929	5.0
141.52194	1.8
143.03452	4.2
143.04536	7.0
149.02400	2.3
149.04462	24.5
161.02370	4.6
161.04463	6.6
171.10188	62.6
172.10551	4.0
189.04382	2.3
191.05548	32.5
197.11743	3.1
199.13264	2.6
201.11256	5.3
203.05545	16.6
209.11758	42.2
227.12900	13.6
233.06610	5.2
238.30539	2.1
253.09377	5.6
254.07605	2.5
272.09021	3.5
303.13647	3.1
332.33328	2.1
524.72217	2.3
531.27844	5.8
573.29254	17.3
574.29065	3.9
617.32214	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	617.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	4.4
59.01253	75.0
69.03326	3.0
70.92928	6.6
70.93297	4.3
71.01262	37.2
72.99172	3.4
73.02824	19.6
74.02346	6.0
78.95747	5.8
79.95610	3.7
85.02827	7.7
89.02310	27.4
96.95889	100.0
96.96544	4.7
96.96861	7.0
99.00758	65.9
99.05502	4.8
101.02320	12.4
109.02857	3.6
113.02343	13.5
119.04865	3.2
121.02847	3.2
123.04400	4.8
125.02354	12.2
125.95000	3.3
128.03464	14.5
131.03378	9.2
135.04434	4.1
136.07556	2.9
139.03865	3.3
143.03485	3.6
143.04477	16.4
144.04860	3.3
146.04462	3.5
149.04446	26.8
155.03380	3.4
161.02365	3.7
161.04498	7.9
163.11101	3.1
171.10202	61.6
179.04472	5.0
191.05547	27.3
197.11790	3.2
199.13287	7.0
201.11316	4.2
203.05544	12.4
209.11769	36.0
216.79074	3.1
227.12871	18.6
253.09294	6.7
254.07828	7.1
266.49036	3.2
272.08771	16.3
273.09207	6.6
303.13455	4.5
309.20972	3.1
340.64639	3.2
357.73282	2.8
431.14734	3.7
449.90503	2.9
531.28125	5.4
573.29291	16.6
617.30127	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	617.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83621	1.6
59.01250	27.0
61.98698	4.9
69.81865	1.8
70.03284	1.4
71.01244	5.2
71.59205	3.3
73.02817	16.2
80.26653	1.7
81.03333	3.4
83.01250	6.2
85.02824	5.8
87.04382	3.1
89.02311	3.1
96.95889	13.5
97.02839	4.4
99.00735	2.4
101.02314	6.6
108.02024	2.2
109.02840	3.4
110.02316	1.7
113.02330	1.9
115.03939	2.8
123.04395	20.2
125.02334	7.0
135.04422	5.2
136.01595	2.4
137.02345	42.5
139.03932	4.5
149.02406	2.4
150.03137	4.2
151.03906	49.4
152.04704	41.8
160.03929	5.1
161.02339	1.8
161.31090	1.5
165.01875	1.7
165.05473	2.7
167.03346	2.1
167.07031	7.7
177.01862	3.0
178.02638	7.7
179.03316	1.8
181.05052	1.8
187.09711	7.9
191.05556	2.5
193.03517	1.6
193.05014	9.4
195.02896	6.8
196.03709	99.4
197.04024	5.8
201.11351	2.5
211.06075	36.5
212.06401	2.2
220.44473	1.6
224.68248	1.9
243.12274	2.2
261.13474	4.3
281.68423	1.6
289.07132	2.3
315.44962	2.0
354.65591	1.7
373.11371	5.1
414.11554	4.1
415.12305	4.7
429.13910	22.9
430.14386	2.4
557.22229	2.8
599.23541	13.0
600.24042	2.8
617.24481	100.0
618.24854	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	617.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89370	0.4
55.01201	0.4
59.01255	3.5
61.98688	0.5
70.56487	1.0
70.56902	0.9
71.01255	5.9
72.99163	0.6
73.02837	2.3
73.03188	0.4
75.00784	0.4
79.36921	0.4
79.41819	0.4
83.01280	0.6
85.02827	1.2
87.00747	0.5
89.02316	3.0
93.03342	1.5
98.19821	0.4
99.00760	3.9
101.02338	3.4
113.02336	2.3
119.04919	100.0
120.05217	2.8
131.03418	0.8
143.03413	0.9
161.04465	1.8
171.10190	4.2
173.21452	0.5
191.05453	1.0
199.09793	0.4
201.09091	0.5
208.10423	0.5
209.11809	2.3
227.12798	0.7
253.08974	0.5
289.72223	0.5
293.08810	0.8
323.16522	29.5
324.16733	2.6
433.89182	0.5
617.26062	9.1
618.26691	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	616.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36058	0.4
55.01767	0.5
56.94614	0.5
58.00460	0.6
59.01249	10.7
64.04241	0.4
69.27770	3.5
69.28197	1.9
71.01245	5.6
72.99169	0.9
73.39205	0.5
83.01288	0.5
85.02826	1.8
89.02321	3.0
96.95888	4.5
98.19826	1.0
101.02341	2.6
101.47104	0.5
113.02321	1.1
118.06519	2.5
119.03365	0.5
120.04443	0.5
121.05231	10.9
122.06037	5.8
123.06825	3.1
146.06017	13.4
146.27505	0.5
147.06310	0.4
150.05539	0.6
165.05475	0.9
167.03380	0.6
168.06516	0.8
190.07414	0.6
211.08757	0.6
212.10773	2.5
213.10359	0.8
214.07364	0.7
214.44273	0.5
225.10234	2.4
226.07440	2.1
226.12386	3.0
227.08220	15.2
227.11784	1.1
228.08496	1.4
239.08186	0.8
240.08936	1.7
241.09785	20.2
242.10468	5.3
253.09807	6.8
254.10414	1.5
255.11368	11.5
256.11697	0.5
267.11389	5.5
268.12143	13.3
269.12936	13.1
270.13629	3.6
284.11304	0.5
295.10910	1.0
300.11151	16.4
301.11646	1.6
302.12683	2.4
313.11960	0.7
314.12662	2.1
329.04758	0.5
348.13583	0.7
362.15057	0.6
364.16699	1.4
376.16797	1.1
392.19803	13.5
393.20181	1.3
408.36209	0.5
418.17844	2.6
436.18777	23.1
437.19034	3.6
442.89203	0.6
492.60492	0.6
531.19525	0.5
598.24249	0.6
616.25098	100.0
617.25464	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	615.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	46.4
69.87711	8.3
70.16847	34.7
71.01246	52.7
73.02822	9.3
81.95119	7.7
83.93500	6.7
85.02789	6.5
89.02306	12.5
96.95877	9.0
99.00772	13.9
101.02321	23.1
109.06467	27.6
113.02319	11.7
115.07545	28.0
125.09631	12.7
137.43611	6.9
163.11185	14.1
166.19899	7.2
171.10175	82.3
185.11803	18.0
199.09686	57.7
201.11180	12.2
207.10178	100.0
207.98782	6.8
209.11794	69.8
211.13414	17.6
217.00076	9.6
225.11284	72.1
227.12918	7.9
253.09288	75.2
315.66302	8.4
347.22104	15.2
361.04803	7.4
379.24838	50.4
435.18781	20.1
461.20270	31.9
462.20645	10.8
584.13452	7.3
615.28967	21.8
615.39508	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	616.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.7
59.01255	8.4
61.98729	0.3
70.33594	1.2
71.01252	4.6
72.99182	0.9
73.02824	0.5
75.00758	1.4
79.95628	0.5
85.02822	1.0
89.02312	3.2
95.01286	0.4
96.95892	13.1
96.96850	0.5
97.04121	0.3
98.20465	0.4
99.00731	0.5
101.02343	2.4
108.02032	0.8
113.02318	1.1
117.98587	0.4
118.06551	2.3
121.05232	9.5
122.06017	5.0
123.00649	0.4
123.06793	2.4
123.84743	0.4
125.02317	0.7
130.29541	0.4
134.06062	0.5
137.02335	0.5
141.10909	0.4
146.06023	10.8
149.04439	0.5
150.03201	0.5
150.05504	0.7
152.01060	1.2
165.05511	0.4
167.03426	2.2
168.06577	0.9
179.03398	0.4
179.05760	0.9
190.07468	0.5
211.08711	1.1
212.10722	2.1
213.10361	1.1
214.07545	0.5
225.03964	1.2
225.10301	1.7
226.07391	2.1
226.12335	2.3
227.08229	13.1
227.11876	1.2
228.08521	1.0
230.10603	0.6
234.36841	0.3
238.07483	0.8
239.08273	1.2
240.08983	1.0
241.09790	17.0
242.10440	4.1
243.11292	0.6
253.09805	6.2
254.10519	1.6
255.11392	8.7
256.11688	0.9
267.11365	4.6
268.12149	11.0
269.12930	11.1
270.13565	3.3
271.14542	0.5
286.09677	0.6
295.10855	0.6
296.11734	0.5
300.11139	13.6
301.11533	1.4
302.12772	1.7
313.11966	0.9
314.12723	1.4
319.14319	0.6
348.13681	0.8
364.16580	1.3
376.16757	0.7
392.19794	12.7
393.20007	1.9
418.17538	2.6
419.18558	0.5
426.94000	0.4
436.18753	36.6
437.19165	5.2
559.18268	0.6
581.22034	0.8
616.25116	100.0
617.25604	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	614.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32724	1.2
57.03332	1.8
58.02851	13.0
59.01250	10.4
61.98701	3.9
64.39632	1.2
66.03359	2.3
66.92223	1.4
69.32175	5.1
69.32601	9.5
71.01255	5.8
72.00798	2.4
73.02820	1.9
74.00571	1.5
74.02339	24.5
74.91267	2.1
81.04456	1.6
82.02865	3.9
83.01234	1.5
84.04435	1.5
84.99585	1.4
85.02824	3.8
86.02361	11.9
86.06018	1.4
87.00741	1.3
87.05531	5.6
89.02319	2.7
93.03366	2.0
96.95903	6.3
97.03944	3.8
99.00806	1.5
99.05519	25.5
100.00289	2.4
101.02354	2.7
101.07111	2.9
102.05487	14.0
104.89328	1.4
107.06049	2.0
108.02026	1.4
109.02847	3.3
109.03983	4.9
111.05564	2.2
111.19088	1.3
112.03930	2.6
113.02334	2.9
116.01662	1.6
119.04922	3.1
121.02846	1.7
123.04396	3.5
123.08075	1.4
125.02348	2.1
125.03421	3.2
127.05065	5.0
128.03432	79.6
129.03775	1.7
132.04312	1.4
135.04503	2.0
135.05534	8.5
137.02374	2.4
137.07127	2.9
141.06578	3.0
143.04527	100.0
144.04878	1.6
145.06097	4.9
146.04480	8.3
149.02414	1.4
151.03902	2.7
153.06613	5.9
157.55933	1.6
160.00635	7.4
161.02409	1.3
166.09792	4.4
167.04524	4.3
167.08232	5.0
170.03236	3.1
171.03989	2.7
171.10173	7.9
177.03313	4.8
179.04570	23.9
179.27029	1.4
181.06111	2.7
184.10884	1.7
185.05608	5.0
191.05461	2.9
191.99876	1.3
192.07744	1.8
194.04581	1.6
197.05637	4.1
199.13336	2.1
207.10283	2.1
209.11839	2.5
210.08783	23.8
225.11273	3.2
228.09776	1.6
235.13315	2.5
254.07822	57.8
255.08177	1.9
257.12897	2.6
272.08875	93.6
273.09192	5.3
278.08542	1.8
288.06573	5.2
289.18100	4.0
303.96994	1.5
306.07654	31.2
306.11087	2.7
307.08029	2.5
307.19086	4.9
312.31934	1.3
320.92508	1.4
341.17917	4.6
411.18088	4.6
485.23187	3.3
504.09818	2.8
596.26227	3.4
614.27667	17.8
615.27722	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	613.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01252	1.6
70.01822	1.5
70.02222	2.1
78.45907	0.7
88.23323	0.6
90.79574	0.6
92.22348	0.6
95.04902	1.0
108.36422	0.8
110.66199	0.7
114.40237	0.6
127.11201	0.7
151.11169	1.1
153.04588	0.7
153.09250	0.7
160.66292	0.7
167.14352	0.7
171.10185	38.0
172.10519	2.1
191.06830	0.7
193.08490	0.7
203.46330	0.7
209.07959	1.6
249.22168	2.0
277.21716	47.7
278.22021	3.8
295.22781	100.0
296.23096	6.9
299.19958	1.1
314.93076	0.8
317.20956	36.2
318.21295	2.4
361.19992	7.8
489.30679	0.9
613.44421	49.1
614.44537	8.8
640.96509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.4
57.02386	1.0
57.03315	2.8
57.97436	100.0
59.01252	46.6
61.98687	3.1
69.61542	5.9
69.61951	2.1
71.01253	56.7
72.01550	1.6
72.99187	5.6
73.02818	18.7
75.00768	1.2
75.77332	1.3
80.96384	1.8
82.66396	1.0
83.01258	5.0
83.06026	21.0
85.02824	22.9
87.00748	2.5
89.02319	28.2
92.04911	4.0
92.34953	1.0
93.03345	1.1
95.01261	5.4
96.95892	3.0
97.02823	1.5
98.20521	2.1
99.00753	31.7
99.19328	1.0
101.01696	2.0
101.02327	29.8
109.02859	1.4
113.02324	27.1
119.03369	5.0
120.04403	1.5
125.02355	2.4
130.03209	4.0
131.03389	3.4
132.04453	1.1
135.04344	1.6
136.02179	1.5
137.02344	1.9
143.03384	2.9
143.04442	1.3
149.02419	1.8
149.04474	5.9
151.03888	1.4
152.55136	1.0
155.11775	4.7
159.02882	3.6
161.01685	10.4
161.04453	15.2
162.85913	1.0
165.05400	1.4
170.03848	38.2
171.04143	1.4
179.05501	1.9
189.10301	5.0
191.05530	6.0
204.02332	14.1
205.03072	7.7
219.11327	1.8
220.57111	1.3
223.05927	1.8
233.10207	1.5
247.07823	70.3
248.08275	6.0
254.07550	1.5
257.13098	1.3
317.17157	66.2
318.17389	3.9
361.16083	1.8
381.16602	1.4
397.14331	11.6
408.15103	6.4
424.12830	35.5
425.13104	4.0
436.21021	1.4
449.21426	61.4
450.21906	5.2
456.28806	1.1
473.13651	1.2
513.20587	1.2
529.18579	10.6
530.19257	1.5
614.23840	42.9
615.24298	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	613.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	56.0
62.63565	12.8
67.95435	12.8
69.85576	12.4
70.56310	28.6
71.01258	34.8
71.72710	14.0
72.51444	12.8
89.02331	15.0
93.00716	13.4
96.95895	25.1
101.02323	16.8
109.06463	15.9
125.02325	29.4
137.02341	15.4
171.10155	72.8
197.11812	100.0
197.90446	13.3
199.09702	45.9
207.10204	51.5
209.11761	49.6
223.13388	36.0
225.11235	36.3
252.42320	16.5
253.09315	42.8
273.83670	14.4
399.28397	15.4
409.20129	24.2
430.58972	16.9
435.18695	29.6
461.19958	25.1
516.44232	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	613.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13313	13.1
59.01262	62.4
69.46306	44.7
69.46729	80.0
71.01245	50.5
71.19805	12.4
73.02842	15.6
89.02314	20.9
98.20518	24.4
101.02334	25.3
109.06511	17.1
113.05977	30.9
132.25066	12.8
135.92107	13.5
153.04942	13.6
171.10155	70.7
197.11763	42.6
199.09669	98.5
207.10213	100.0
209.11826	97.9
223.13329	40.9
225.11317	83.7
227.12822	19.1
238.08310	12.4
253.09268	99.0
435.18518	26.8
461.20309	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	613.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88583	2.4
71.01270	4.6
71.58985	3.3
78.95325	3.6
78.95783	66.1
79.95616	2.7
80.96410	10.6
82.49105	2.5
94.97974	3.0
96.95907	62.4
96.96858	100.0
101.20747	2.5
116.92745	5.5
118.96537	6.4
225.00790	3.1
232.89629	2.8
253.09389	4.6
279.23337	31.2
280.23642	2.6
291.03906	4.5
323.02005	2.7
329.26990	3.0
333.04922	3.4
351.06140	12.6
555.28497	16.9
556.28943	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	613.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20767	1.0
51.88366	1.1
59.01253	7.6
60.79011	1.2
69.33688	11.9
71.01255	4.5
73.02840	1.2
75.00748	4.2
75.15477	1.1
83.01263	1.7
85.02837	3.5
87.42687	0.9
89.02328	3.6
89.03828	2.6
91.01762	1.3
95.04932	1.2
96.95907	9.1
99.00748	1.2
101.02351	2.6
107.11630	1.1
108.02103	1.5
109.02842	24.7
113.02328	2.9
117.05505	1.7
119.04932	1.1
122.05983	1.3
123.04405	8.0
125.02345	3.5
133.02864	10.1
135.04430	2.4
137.02354	2.3
145.02858	12.8
147.04385	1.3
149.02357	1.7
150.03113	2.5
151.03903	8.3
161.02321	6.0
163.03894	2.4
175.03972	2.0
177.01855	100.0
178.02264	4.5
179.03490	1.7
187.03946	2.4
189.01871	44.8
189.03589	2.4
190.02626	6.2
191.03450	4.2
191.05252	1.0
201.01944	7.6
203.03473	2.7
216.00621	3.5
217.01350	20.3
218.01982	2.2
219.02939	8.7
231.03026	5.1
245.04385	1.2
245.08139	1.2
253.05124	1.1
281.04578	2.7
287.05612	2.8
289.07288	1.2
297.07739	1.9
299.05606	5.8
309.87387	1.2
323.05612	50.0
323.09457	2.4
324.05954	3.7
341.06631	63.2
342.06891	4.4
391.07968	1.6
433.09314	17.6
434.09702	2.6
434.17145	1.8
438.01840	1.3
451.10361	53.9
452.10648	6.4
454.19897	2.7
481.64240	1.1
503.11948	5.0
613.15112	10.9
613.30658	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	613.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78917	0.7
65.03815	0.8
71.44991	1.0
77.40156	0.7
81.90575	0.7
92.33543	0.8
95.04874	1.5
96.95884	1.0
108.02040	1.2
109.02844	34.6
110.03146	1.4
119.04924	1.4
121.02858	1.5
123.03554	0.9
123.04414	14.4
133.02863	6.4
135.04424	1.1
139.03865	0.7
145.02853	1.3
147.04448	5.7
149.02399	1.1
150.02994	1.0
151.03947	7.3
159.04407	2.0
161.02365	10.7
163.04008	1.0
173.02243	0.9
176.01070	0.9
177.01862	30.2
178.02240	1.8
183.20784	0.7
187.03912	2.2
189.01869	67.4
190.02650	14.9
191.03427	16.0
192.03795	0.9
203.03412	7.4
205.05019	0.8
216.00589	10.6
217.01378	48.9
218.01926	4.8
219.02945	18.1
220.03355	1.1
231.02972	14.7
233.04488	2.0
245.08145	0.9
289.07300	5.2
299.05511	1.8
303.33249	0.8
323.05630	3.2
327.04968	1.1
341.06656	100.0
342.07007	8.9
355.66953	0.7
451.10345	94.0
452.10559	10.9
503.12207	2.2
575.86981	0.8
613.15607	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	613.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25866	1.1
57.03312	1.6
59.01253	6.6
61.98687	1.7
71.01250	3.7
71.59009	1.9
83.01284	1.1
85.02818	3.1
89.02336	2.6
96.95887	16.5
101.02314	2.2
108.02028	1.8
109.02837	24.1
111.04482	1.2
116.92742	1.5
117.03403	1.7
119.04909	1.8
121.02845	1.8
122.03590	1.6
123.04422	14.6
125.02280	2.1
133.02846	5.5
135.04427	3.0
137.02382	2.7
138.05536	1.3
141.26372	1.2
145.02835	2.5
146.06085	1.5
147.04442	4.5
149.02347	2.2
149.05959	1.4
150.03072	2.4
151.03929	13.6
152.04500	1.8
159.50220	1.1
161.02333	7.0
163.03918	1.4
165.05573	1.4
165.53909	1.4
175.03952	1.5
177.01869	40.2
178.02231	2.3
187.03951	3.1
189.01871	63.6
190.02634	10.6
191.03418	12.2
191.05263	2.0
203.03470	6.2
210.89128	1.3
216.00571	8.3
217.01379	43.9
218.01938	5.0
219.02942	16.6
231.02953	15.1
269.04520	2.2
278.89523	1.1
281.04645	1.5
289.07126	3.6
297.07617	1.5
299.05386	1.3
323.05597	8.6
341.06677	100.0
342.07019	7.9
433.09372	2.7
451.10284	97.9
452.10657	10.9
454.54480	1.4
503.12082	1.6
613.15405	18.5
614.16138	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	611.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
55.49398	0.7
57.03321	1.6
59.01255	22.7
61.98697	1.8
66.39954	0.7
69.03318	1.2
71.01256	18.8
71.57985	0.8
72.99193	3.3
73.02827	3.7
75.00746	5.9
81.03339	0.9
83.01260	2.5
85.02824	4.8
87.00751	3.8
89.02325	13.7
93.03347	2.5
95.01270	1.1
96.95908	3.8
97.02840	2.4
99.00743	1.3
101.02323	14.5
106.20254	0.6
109.02838	1.0
113.02332	8.1
119.03394	5.5
119.04877	1.0
121.02834	1.2
123.04388	0.9
125.02334	6.2
131.03397	1.4
135.04434	1.7
137.02354	2.6
141.01817	0.8
143.03386	3.0
149.02359	4.2
150.03133	1.7
155.82106	0.7
161.04506	3.3
164.04745	3.9
165.05470	1.2
175.04063	0.7
176.01233	0.6
177.01924	0.9
179.03394	0.7
179.05576	3.3
183.13841	15.7
184.14191	1.2
189.01799	1.2
190.02649	2.2
191.05588	2.5
193.05013	0.9
195.13858	12.8
196.14185	1.0
199.67014	0.7
203.03337	0.7
211.13329	4.7
212.13744	2.2
213.14917	100.0
214.15276	5.4
217.01485	0.7
221.06444	0.7
223.06090	8.9
235.08170	4.7
253.09338	1.1
257.09390	0.9
269.08990	0.7
287.07675	1.0
311.10101	1.4
355.08298	2.9
397.13486	31.0
398.13986	3.4
399.14026	1.8
415.14560	21.5
416.14777	2.2
417.14926	0.9
473.15781	0.9
611.28650	1.4
611.37054	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	611.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.1
71.01263	4.8
78.95782	68.4
79.95594	2.5
90.97036	2.0
96.95901	89.7
96.96856	100.0
98.02370	4.3
98.20589	4.1
98.90572	2.3
99.00699	1.7
115.22041	1.8
118.80289	1.6
118.96558	5.4
170.74478	1.9
189.00778	3.1
191.05588	2.2
225.11360	2.8
229.76137	1.9
232.99847	2.0
253.09354	4.5
277.21719	22.9
278.21951	2.4
291.03879	6.1
333.04892	2.8
351.06168	16.7
352.06747	2.0
407.17740	4.6
551.25238	4.6
611.38031	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	611.274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.9
59.01244	5.7
61.98708	3.3
63.96104	1.2
71.01254	9.1
73.02817	2.1
73.19215	0.8
78.95786	0.9
78.98470	5.6
79.95612	10.7
80.96393	64.1
81.03319	0.9
85.02816	5.3
87.00757	2.7
89.02312	1.2
94.97958	15.6
96.95883	2.6
97.02828	1.1
97.30949	0.6
98.20589	1.1
99.00745	2.1
101.02340	2.0
106.98000	3.9
109.02845	0.8
113.02311	2.0
119.03396	0.8
122.03560	0.7
122.96796	0.6
122.97498	5.4
123.04438	0.8
125.02356	3.7
127.03888	0.7
129.57599	0.6
134.97481	5.1
135.04462	1.1
136.99043	2.1
148.99048	7.1
151.03839	0.8
152.98528	8.5
161.04543	0.7
164.97284	0.9
164.98561	10.2
182.99615	2.0
200.04665	1.8
206.99649	4.0
209.11809	1.6
211.13483	0.7
225.00699	19.5
243.01698	1.9
283.06134	0.7
293.21121	0.9
295.05981	0.7
299.04437	3.9
317.05249	0.8
336.12411	1.9
337.10800	1.6
339.12094	0.8
356.57584	0.7
600.04437	0.9
611.27393	100.0
612.27716	12.6
634.57587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.9
59.01244	5.7
61.98708	3.3
63.96104	1.2
71.01254	9.1
73.02817	2.1
73.19215	0.8
78.95786	0.9
78.98470	5.6
79.95612	10.7
80.96393	64.1
81.03319	0.9
85.02816	5.3
87.00757	2.7
89.02312	1.2
94.97958	15.6
96.95883	2.6
97.02828	1.1
97.30949	0.6
98.20589	1.1
99.00745	2.1
101.02340	2.0
106.98000	3.9
109.02845	0.8
113.02311	2.0
119.03396	0.8
122.03560	0.7
122.96796	0.6
122.97498	5.4
123.04438	0.8
125.02356	3.7
127.03888	0.7
129.57599	0.6
134.97481	5.1
135.04462	1.1
136.99043	2.1
148.99048	7.1
151.03839	0.8
152.98528	8.5
161.04543	0.7
164.97284	0.9
164.98561	10.2
182.99615	2.0
200.04665	1.8
206.99649	4.0
209.11809	1.6
211.13483	0.7
225.00699	19.5
243.01698	1.9
283.06134	0.7
293.21121	0.9
295.05981	0.7
299.04437	3.9
317.05249	0.8
336.12411	1.9
337.10800	1.6
339.12094	0.8
356.57584	0.7
600.04437	0.9
611.27393	100.0
612.27716	12.6
634.57587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42843	0.7
59.01251	4.2
69.93540	4.7
71.01253	1.9
78.95800	1.0
83.04892	1.0
95.04912	4.5
109.06447	1.3
116.03649	0.7
119.08498	0.8
121.10122	27.5
121.10999	1.5
122.10419	1.3
125.09624	1.6
127.11169	1.4
137.72868	0.7
149.09570	1.1
155.76521	0.8
171.10181	74.9
172.10536	3.1
177.16388	1.2
183.13853	1.8
185.11755	3.0
193.08403	1.0
197.11697	1.6
207.10011	3.2
209.07819	1.4
211.13347	1.7
223.13303	1.0
225.11296	1.3
231.21150	6.6
275.20151	99.0
276.20496	9.0
278.11365	12.7
293.21222	100.0
294.21536	8.1
297.18365	2.6
313.17795	1.5
315.19394	55.8
316.19757	4.4
329.17508	2.5
359.18399	11.0
360.18500	0.9
487.29172	1.8
577.52850	1.0
591.39447	1.1
609.41339	67.3
610.41583	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60537	0.9
57.03296	0.8
59.01259	9.2
61.91512	0.7
61.98712	8.5
69.03339	1.1
71.01254	10.9
71.58733	0.9
73.02819	4.0
75.00742	2.2
78.95776	0.8
78.98469	7.1
79.95608	13.1
80.96394	77.6
81.03340	1.0
83.01246	1.6
85.02820	5.1
85.78073	0.7
87.00755	2.7
87.52440	0.8
88.98724	0.8
89.02316	2.8
92.16795	0.7
92.84225	0.7
94.97965	15.8
96.95878	2.2
97.02834	2.5
99.00753	1.9
101.02312	5.5
106.97966	3.4
109.02850	1.3
113.02312	2.3
119.04936	1.0
122.97482	5.8
125.02331	4.9
127.03892	1.6
134.97464	6.0
135.04468	0.8
136.99120	1.9
148.99074	5.6
152.98547	7.5
152.99577	1.3
164.98552	11.1
179.05437	0.8
182.99625	1.8
191.05563	2.0
193.62669	0.7
197.11725	1.1
206.99638	4.2
211.13326	10.1
219.10210	1.6
220.71819	0.9
224.98666	1.5
225.00706	19.9
243.01788	2.6
299.04315	3.0
361.14334	1.0
397.13397	3.1
415.14175	2.0
511.18246	1.2
529.30865	0.8
578.42822	1.0
609.25842	100.0
610.26062	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	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	10.9
61.98707	11.8
63.96111	1.2
69.03316	1.5
71.00890	1.2
71.01252	12.5
71.58898	1.3
72.99168	0.9
73.02811	3.6
75.00712	0.8
78.98466	6.2
79.05078	0.8
79.95604	11.4
79.96039	1.4
80.96397	77.2
81.03313	1.7
84.24594	0.8
85.02832	6.2
87.00741	3.7
88.98662	2.3
89.02315	4.5
90.72495	0.8
93.03326	1.3
94.97962	18.7
96.95895	2.0
97.02803	1.9
99.00752	1.2
101.02330	6.5
106.97974	3.3
111.08033	0.8
113.02301	3.8
119.03371	1.0
119.04877	0.8
122.97496	4.6
123.89497	0.8
125.02344	5.0
127.03929	1.3
130.57430	0.9
134.97467	3.3
135.04364	1.3
136.99010	1.7
148.99071	6.4
149.05856	0.9
152.98543	8.7
163.03944	1.0
164.98549	12.1
182.99599	2.6
191.05556	1.8
197.11763	1.8
201.87408	0.9
206.99615	3.3
211.11751	1.1
211.13365	12.1
225.00713	19.1
235.08301	1.2
243.01752	2.3
285.07611	1.5
296.14841	0.9
299.04498	2.3
397.13657	4.4
405.26266	1.1
415.14697	2.0
609.25848	100.0
610.26099	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	609.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59885	2.6
59.01253	100.0
59.25134	3.0
60.01587	5.2
65.00187	6.6
69.53588	24.7
71.01262	25.6
73.02824	12.6
83.01264	7.5
85.02816	13.5
86.88515	3.3
87.00797	4.6
89.02323	17.3
93.03349	3.6
96.95882	5.7
99.00769	12.8
101.02317	12.5
107.01279	5.9
107.56802	3.2
113.02321	16.0
119.03396	3.9
121.02802	6.1
122.03627	7.9
125.02359	7.5
135.04398	7.1
137.02367	15.0
147.04488	4.6
149.02356	3.4
149.04514	3.7
150.03067	4.1
151.00270	14.3
151.03888	4.5
161.04501	4.4
165.05495	17.5
165.09169	3.2
175.03986	4.0
179.03523	5.0
179.06956	3.4
187.09657	6.0
191.05467	4.5
211.13351	18.9
253.11867	3.9
285.04089	41.1
286.04504	6.0
346.14087	7.6
357.13403	6.5
361.16541	56.4
362.16858	5.0
375.14380	7.0
397.13647	6.0
444.60422	3.4
483.36490	3.7
523.26599	7.0
563.26801	3.5
564.27283	13.6
565.27618	26.0
566.19263	4.4
566.27863	4.0
609.14130	25.6
609.31128	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	609.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03316	0.9
58.00457	2.5
59.01251	100.0
62.91893	0.9
63.35460	0.9
69.03326	2.3
71.01256	44.9
72.99184	2.1
73.02819	48.2
83.01258	11.4
85.02834	8.1
87.00745	3.0
89.02312	9.4
93.03324	2.2
95.01279	1.5
96.95916	1.8
97.02834	1.5
99.00745	2.8
101.02319	44.2
102.01846	1.2
105.03358	2.5
108.01972	0.9
109.02847	2.9
113.02322	13.7
117.03335	1.3
119.03367	3.4
119.04932	2.3
121.02834	3.1
122.03616	5.2
123.04391	1.9
125.02328	3.8
131.03409	4.0
131.04805	0.8
133.02850	2.9
134.03630	1.0
135.00757	1.1
135.04422	1.7
137.02321	1.2
143.03410	2.8
145.02855	4.8
146.03635	1.6
147.04420	1.4
149.02344	14.0
149.04414	3.8
149.05969	3.2
150.03136	30.1
151.00307	2.1
151.03888	4.7
152.01003	1.0
153.01846	1.8
155.03421	1.3
161.02365	22.9
161.04422	8.2
162.03134	23.3
163.03879	2.9
164.04649	4.1
165.05486	29.1
166.05878	0.9
175.03946	1.3
176.04697	9.0
177.05475	13.7
179.03410	24.5
180.04179	4.0
191.05547	1.9
191.07111	2.9
193.04968	3.3
193.08708	1.0
194.05785	20.2
195.06580	18.8
196.06798	1.2
199.03876	0.9
203.03625	0.9
203.05531	1.6
209.08133	27.0
210.08345	1.2
211.13324	3.1
215.03465	1.5
221.06558	1.2
227.03450	2.0
227.07045	1.6
228.07271	1.4
229.07573	0.9
243.02879	3.9
255.02945	7.0
267.06277	1.0
271.02469	42.6
272.02853	3.6
297.14792	1.1
299.01956	44.4
300.02695	37.6
300.06161	1.8
301.02963	2.9
314.04300	7.7
315.05060	13.9
316.05280	0.9
342.11044	2.0
357.13431	12.9
358.13425	1.0
375.14554	1.5
397.13760	1.3
405.15411	1.7
443.15463	2.5
565.28571	1.5
609.14496	45.9
610.14911	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	609.1461
Annotation	Kaempferol 7,4'-diglucoside
Peak:m/z	Relative Intensity
55.69187	1.1
59.01239	4.2
59.96000	1.2
60.42799	1.4
61.21613	1.1
69.76337	2.2
69.76741	6.6
71.01256	2.3
85.10142	1.1
89.02335	1.7
89.54758	1.2
98.19789	1.4
109.02821	1.7
121.02851	1.3
125.15179	1.3
127.30261	1.2
131.01270	2.3
133.02844	24.3
137.02396	1.3
147.04430	1.5
149.02371	1.7
161.02391	2.3
163.00360	2.7
163.03944	3.3
165.01794	1.5
173.02348	3.4
175.00305	10.3
175.03976	2.5
191.03394	1.9
201.01805	2.7
237.05627	1.4
237.50345	1.8
241.05202	1.4
253.05162	1.6
265.05005	2.4
266.02359	1.2
267.02924	4.3
269.04556	2.5
281.04767	1.6
284.03323	5.1
285.04001	5.8
297.04071	14.2
298.04849	12.1
299.05618	12.8
306.07663	3.3
309.04047	60.4
310.04523	6.6
311.05615	2.5
327.05103	100.0
328.05441	9.1
339.05249	3.0
357.06152	70.0
358.06653	7.4
369.06302	3.0
393.06348	2.6
429.08246	66.2
430.08490	6.8
449.10944	3.1
489.10400	46.9
490.10928	6.0
609.14630	70.4
610.14819	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44489	0.6
55.11967	0.6
55.41899	0.6
58.00457	0.8
58.38496	0.7
59.01250	14.2
65.00184	1.7
71.01253	7.3
72.99180	1.3
77.47054	0.6
80.95576	0.8
83.01254	1.3
85.02824	1.7
88.98695	1.0
89.02321	3.9
91.01784	1.1
93.03318	2.4
95.01260	1.7
101.02325	2.8
107.01279	0.9
108.02043	1.5
109.02834	1.2
113.02362	1.7
117.03344	8.9
119.01252	1.3
119.03380	1.3
119.04891	3.0
121.02856	2.0
123.00692	0.8
123.04379	0.9
125.02302	1.6
131.01271	3.5
133.02837	9.2
135.00740	1.0
135.04385	1.7
136.01494	1.3
136.98682	1.1
137.02327	2.7
145.02852	1.6
147.04420	0.8
149.02321	2.8
151.00262	1.7
151.03906	1.7
154.30276	0.7
159.00775	0.8
161.02345	5.2
163.00282	4.7
163.03915	1.8
164.01067	7.4
165.01862	4.3
171.04480	0.7
173.02380	1.8
175.00298	10.5
175.03912	2.1
177.01826	2.9
178.02675	0.7
179.03410	1.9
185.02376	1.5
187.03970	0.9
188.01096	1.1
189.01869	10.5
189.88773	0.7
190.99779	2.1
191.03450	2.3
191.05399	1.0
193.01395	1.2
195.04695	0.8
197.06039	1.1
199.04019	0.8
201.01936	1.5
203.03426	1.2
205.01378	1.7
206.02060	2.0
207.02942	1.5
209.05986	2.7
211.04022	1.3
213.05440	1.5
214.06555	0.7
217.01456	0.9
225.05452	2.4
225.07465	0.8
230.20467	0.8
231.02782	0.8
235.03926	1.0
237.05557	4.1
239.03517	1.2
241.05043	1.7
243.02921	0.8
252.04153	1.2
253.04997	6.1
255.03017	1.8
257.04709	0.9
263.03506	2.0
264.04245	3.0
265.05008	9.2
267.02881	2.1
269.04553	3.6
281.04547	10.8
282.05054	2.1
283.02600	1.6
283.06161	2.2
284.03259	12.8
285.04068	8.6
286.04614	1.1
291.02835	1.0
293.04413	1.2
294.55042	0.8
295.05966	0.9
297.04034	11.4
298.04813	11.2
299.05692	7.2
300.02661	1.1
308.03281	4.3
309.04031	100.0
310.04385	8.9
311.05576	3.0
323.05450	1.0
325.03787	1.0
326.04343	6.4
327.05078	44.3
328.05643	3.4
330.03824	1.1
339.05127	4.0
341.06961	1.0
351.05032	2.6
357.06195	16.1
358.06451	1.4
369.06155	2.2
375.14417	1.0
411.07361	1.3
429.08261	28.9
430.08557	2.9
431.09619	1.6
447.10071	1.7
489.10391	34.7
490.10696	3.2
591.13660	1.3
609.14624	45.9
610.14752	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	10.4
61.82951	6.5
70.13914	35.1
71.01269	7.7
72.42678	6.0
83.01285	6.2
85.02812	7.1
93.03330	12.5
95.01250	14.4
97.02857	7.1
98.20506	8.4
99.00745	10.3
102.96513	6.3
109.02818	26.2
111.00750	21.8
113.02310	6.8
119.95149	7.8
120.21290	5.9
121.02822	6.7
123.00787	10.1
123.04424	19.3
125.02345	100.0
130.95068	6.3
133.02802	18.7
135.04367	10.2
137.02350	54.0
139.00253	23.1
139.03902	6.7
141.01822	17.7
147.04375	15.4
149.02321	21.1
150.03105	7.2
151.00293	9.1
151.03864	19.6
153.01831	21.3
159.04422	11.2
161.02339	39.8
163.00330	14.7
163.03883	14.8
164.01031	14.0
165.01811	19.3
167.03381	20.8
175.03885	25.0
177.01865	82.0
187.04018	13.4
189.01930	7.2
193.01318	27.3
193.10655	6.3
203.03458	10.4
217.05048	11.0
227.03468	9.1
231.02872	15.2
243.02991	16.1
243.06607	15.0
259.02502	8.8
285.04028	12.5
287.05508	12.8
289.03430	10.7
289.06985	9.9
303.04980	12.6
305.06619	9.0
321.06073	21.8
407.07776	12.0
423.07013	15.4
439.06461	12.1
457.07639	14.6
609.13623	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.125
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21821	9.1
77.04058	10.5
83.01277	12.4
97.02856	11.2
109.02847	30.4
111.00807	21.2
121.02843	16.0
123.00793	24.8
123.04447	25.7
125.02357	100.0
137.02368	48.9
139.00305	18.8
141.01846	13.2
141.79295	12.1
149.02435	10.7
151.03917	25.5
153.01785	21.9
161.02368	40.8
164.01082	14.3
165.01906	18.3
167.03435	33.0
175.03871	22.1
177.01843	79.3
181.04893	12.0
191.03412	11.3
193.01315	32.6
203.03511	11.8
217.04807	12.3
230.53955	12.3
243.02974	21.4
245.04778	13.4
257.04520	11.5
259.02673	14.5
289.07144	23.3
303.05066	18.6
457.08093	14.3
545.80774	13.2
630.62024	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	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.1
61.98704	100.0
71.01263	1.7
71.57813	0.6
73.02815	0.7
77.18311	0.3
78.95782	0.5
80.96390	1.8
85.02847	0.7
89.02335	0.6
99.40092	0.4
101.02375	0.6
107.08060	0.4
113.02363	0.5
121.02887	0.5
124.86457	0.3
125.02375	0.7
139.42740	0.4
169.70505	0.4
211.13388	1.6
276.86160	0.5
397.13727	0.7
403.47504	0.4
608.24780	2.5
609.26129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01251	27.8
60.99170	1.4
61.98698	4.0
67.46303	1.1
71.01258	11.4
71.58927	1.9
72.99181	2.3
73.02811	3.8
80.96408	2.9
83.01260	2.2
85.02823	3.6
87.00749	4.8
88.98697	1.6
89.02322	4.2
96.95908	4.6
99.00771	2.7
101.02325	7.3
108.07845	1.4
113.02327	4.3
114.91479	1.3
118.58138	1.4
119.04922	2.6
125.02322	3.3
135.04453	1.9
136.01628	1.9
137.02332	1.5
151.03917	4.1
191.05524	1.6
196.03674	1.6
209.11751	10.2
313.23856	6.5
341.26767	2.2
343.15479	6.1
357.26468	1.6
359.28024	100.0
360.28378	10.3
373.29446	1.6
385.25992	4.3
397.13287	2.5
400.52719	1.3
401.29153	2.5
403.17694	2.5
563.34003	4.7
565.32220	4.1
607.24396	7.2
607.34155	2.8
618.41101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53067	1.4
57.49299	2.0
58.02857	9.1
58.03100	1.5
59.01240	5.4
66.12373	1.6
69.73317	11.3
71.01247	2.6
72.99199	2.3
73.02827	2.4
74.02341	11.9
81.56767	1.8
82.02856	2.0
84.71556	1.5
85.02838	3.1
86.02355	4.9
86.98994	1.5
87.05526	4.4
88.98690	2.7
89.02328	3.1
90.00056	1.6
96.95884	1.9
99.00755	3.1
99.05522	10.6
101.02333	2.0
102.05600	1.6
109.03951	2.2
125.02342	4.1
127.05034	2.4
128.03441	27.1
133.02861	3.7
135.05588	2.0
137.02348	3.3
143.04524	39.6
145.06113	3.0
146.04500	3.6
151.03981	2.1
153.06564	2.3
160.00639	10.4
164.07057	3.3
167.04509	2.8
175.00305	2.8
177.03270	3.5
179.04591	10.4
185.05632	1.8
191.05603	1.8
200.77942	1.5
206.08136	5.8
210.08803	7.2
254.07780	11.8
272.08832	17.1
285.03903	2.1
288.06635	6.2
297.04007	4.2
298.04980	3.4
299.05551	2.6
306.07666	100.0
307.07834	4.9
309.04053	15.6
327.05139	17.3
331.39627	1.7
357.06223	7.5
382.29169	1.6
429.08090	5.0
489.10416	7.7
608.25543	1.8
609.14459	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.9
61.98692	8.9
69.31805	22.8
71.01254	14.7
72.15974	1.8
73.02808	4.2
78.95771	5.6
78.98450	5.0
79.95592	14.3
80.95907	3.8
80.96387	67.1
85.02789	6.3
87.00745	4.8
89.02334	4.2
90.99870	2.3
94.97968	16.8
101.02309	6.0
106.97955	3.3
110.19516	1.9
113.02358	2.7
115.47121	2.1
122.97443	8.3
125.02306	2.8
134.97408	5.2
138.18007	1.9
141.05809	1.9
148.98972	7.7
152.98441	4.9
152.99525	4.9
153.01851	2.0
164.98515	8.7
166.56961	2.1
178.70233	2.2
191.66713	2.2
197.11649	3.3
206.99538	4.2
209.11694	7.8
211.13297	6.3
225.00720	16.4
253.09306	12.9
293.21414	3.9
299.04489	3.9
311.22302	35.2
312.22672	4.2
439.67654	2.8
460.45801	2.6
607.24182	100.0
608.24640	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	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05194	4.1
59.01251	40.9
61.98702	14.5
71.01258	20.3
78.95792	6.8
79.95612	7.9
80.96414	23.8
83.01262	6.0
85.02816	8.4
89.02321	11.1
93.67830	3.4
94.97993	6.1
96.81602	3.4
98.20561	9.4
101.02327	16.0
109.64320	3.9
111.08018	5.6
113.02348	12.1
119.03347	6.7
125.02357	6.1
136.04138	4.0
149.86612	4.3
152.99550	5.1
161.04420	5.4
164.98480	4.2
165.12764	9.3
183.13844	15.6
197.11792	6.5
209.11751	26.4
211.13277	18.2
225.00839	4.5
227.12883	30.2
253.09253	49.9
291.19611	5.9
293.21198	12.3
311.22287	100.0
312.22678	4.4
397.13727	4.1
552.27222	4.1
603.35455	5.0
607.25146	58.9
607.33832	6.7
608.25250	7.7
608.34235	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	607.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87429	2.8
53.48934	2.5
57.03306	4.1
59.01251	49.3
63.02261	3.8
65.00196	18.1
71.01253	26.4
72.99197	5.6
73.02815	7.0
76.72990	2.7
81.03339	2.7
83.01253	16.2
85.02836	11.8
87.00793	2.8
87.25141	3.0
89.02320	10.8
89.39664	2.7
93.03361	6.8
96.20886	2.7
96.95878	12.8
99.00777	9.5
101.02338	16.2
107.01276	30.1
109.02834	5.9
112.28908	2.6
113.02302	13.4
117.03341	7.7
119.03413	3.0
119.04919	63.1
121.02828	9.6
123.04415	4.7
125.02326	32.5
133.02858	9.1
135.04388	19.5
137.02330	10.2
143.03424	2.8
145.02864	24.3
149.02330	8.5
151.00275	100.0
151.03883	11.5
152.00700	5.4
161.02379	7.8
161.04469	4.5
161.05922	4.5
163.03961	3.8
164.04671	4.6
165.01814	7.6
166.02657	3.5
167.03287	3.9
169.01312	3.5
175.00366	3.2
177.01842	4.4
179.03416	12.8
187.04005	6.2
188.83455	2.8
191.03415	3.5
191.05453	4.6
193.04994	4.5
197.04460	5.6
208.03545	3.0
223.06094	9.2
227.07028	5.0
271.06131	54.5
295.06100	13.3
313.07217	30.7
313.10660	5.8
314.07385	3.3
339.34738	3.1
366.24268	2.8
403.13953	9.7
445.11063	9.9
446.55933	3.1
461.13107	5.5
469.09744	4.1
473.13031	5.0
487.10938	32.2
487.25406	10.6
488.11139	5.3
505.26578	16.9
576.68073	3.6
607.16620	78.8
607.26447	5.3
607.31702	5.7
608.17407	15.5
608.30609	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	607.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75465	3.0
57.03314	3.9
58.99444	3.1
59.01255	100.0
69.54932	16.5
69.55340	8.3
71.01254	45.4
72.99205	3.8
73.02820	17.4
82.13049	3.1
83.01261	5.6
85.02808	14.3
87.00761	8.7
88.98679	3.5
89.02318	25.5
96.95917	6.3
99.00743	24.0
101.02312	29.0
111.00702	3.0
113.02314	20.9
119.03381	7.6
125.02346	7.9
131.03432	4.9
138.03128	7.1
149.04451	3.6
152.88809	3.7
153.05472	7.0
155.10706	5.7
161.04482	6.9
191.05602	6.5
195.01193	3.3
208.41287	3.9
209.11806	7.0
210.03465	4.8
225.05846	9.3
227.16479	6.8
360.91791	2.9
389.21982	5.4
431.22723	10.2
503.24902	6.5
519.15875	6.9
519.24176	6.5
521.26013	21.4
563.27094	81.7
564.27551	15.7
607.17017	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	607.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49049	3.4
51.89140	3.4
52.20516	3.7
59.01257	100.0
64.37192	4.1
69.79202	30.7
71.01244	34.1
73.02831	15.1
79.29143	4.5
83.23809	4.1
85.02821	12.6
85.87531	4.5
87.00733	4.9
89.02316	24.9
95.01245	6.2
96.95905	8.6
98.19776	5.0
99.00759	28.5
101.02328	23.2
113.02329	16.9
119.03420	7.3
119.28340	4.0
125.02398	6.5
131.03339	5.4
149.04468	6.7
161.04469	7.4
166.93930	4.3
191.05569	10.1
209.11784	31.9
389.21814	6.3
396.99939	4.5
397.13364	9.9
431.23294	8.2
443.92050	5.1
521.26385	13.0
549.38812	5.1
563.27039	81.1
564.27759	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	607.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.6
56.89263	1.6
57.03325	2.7
58.00466	1.9
58.57035	1.7
59.01251	100.0
62.32566	1.4
71.01255	52.3
71.59356	1.9
72.99174	3.7
73.02821	16.3
79.74711	1.5
81.03327	3.7
83.01277	5.7
83.04900	6.3
85.02813	18.7
87.00763	8.6
87.04377	2.1
88.98675	2.3
89.02322	40.6
89.10910	1.5
95.01257	2.7
96.95885	9.0
97.02834	5.1
99.00759	29.2
101.02329	37.0
111.00750	4.7
113.02361	22.9
119.03395	12.3
119.04877	3.0
121.02820	3.4
123.00755	2.4
125.02362	14.1
127.76697	1.5
131.03391	6.1
134.03621	2.0
135.04433	5.4
137.02348	3.9
139.03876	2.2
143.03363	6.6
149.02322	3.7
149.04459	9.2
149.05911	1.6
151.00294	2.5
151.03883	3.9
152.01028	2.4
161.02315	2.2
161.04465	8.9
163.03966	2.6
163.11168	2.6
165.05545	3.3
165.12703	2.4
166.02583	5.1
167.03430	4.1
169.73286	1.7
175.03854	2.1
177.01889	2.9
178.02567	2.3
179.03477	2.4
179.05478	6.7
181.04932	4.6
185.05978	2.3
191.03831	2.3
191.05528	13.8
193.04977	4.3
203.05513	4.0
209.11769	90.5
210.12094	6.3
227.07080	31.5
228.07422	2.6
233.06749	2.8
235.08170	4.8
305.08801	3.0
373.12701	2.1
389.21899	5.1
397.13562	29.6
398.13895	2.4
403.13962	16.0
415.14499	18.0
416.14944	2.0
431.22803	4.6
433.24295	3.1
503.25058	2.8
517.10382	1.9
521.17694	3.1
521.25903	10.8
522.26697	2.3
563.18030	6.4
563.27045	42.7
564.27222	5.2
565.28601	4.1
607.29114	7.2
610.27185	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	607.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35941	3.3
57.03322	4.6
58.93234	4.4
59.01252	100.0
60.98606	3.5
69.46938	4.5
70.31602	17.7
71.01257	36.3
72.99194	7.5
73.02814	15.9
73.07817	3.7
74.31703	3.6
82.04876	3.3
83.01272	5.7
85.02814	15.0
87.00779	7.1
89.02318	18.1
93.03333	5.8
96.95899	17.3
98.61304	3.7
99.00765	18.7
101.02322	19.6
108.98160	3.9
109.02863	9.1
109.32639	3.5
111.00776	8.7
113.02322	15.9
119.04916	9.1
121.02814	7.1
123.00806	4.8
123.04372	6.2
124.01534	4.6
125.02322	6.6
134.03659	5.0
135.04404	11.6
136.01486	4.2
137.02339	11.0
143.03484	4.3
147.04414	6.8
149.02315	4.8
149.04434	7.0
150.03040	4.9
151.03903	12.9
152.01050	5.2
153.01802	4.3
160.05194	8.7
161.02322	4.8
161.04413	5.3
175.07556	11.2
177.05470	4.3
191.05508	13.5
193.04990	7.7
207.06377	4.4
223.13446	8.3
224.13779	6.2
225.13554	4.8
283.05893	5.5
315.35751	4.5
323.12857	6.0
329.13876	35.6
343.15378	6.3
359.14905	7.2
373.12320	7.9
383.11438	4.3
385.12320	12.0
388.11676	7.1
403.17624	14.2
403.22833	4.9
407.26682	8.0
441.71667	4.8
563.27039	11.7
565.28827	5.2
578.60303	5.1
607.15540	4.5
607.25049	12.0
608.17828	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	607.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96285	3.4
55.95250	3.3
59.01255	100.0
59.41821	3.7
64.03514	3.5
71.01257	33.5
73.02831	17.6
73.52022	3.8
79.51479	3.3
85.02833	16.4
89.02317	18.3
94.69087	3.7
99.00764	32.2
101.02320	18.8
103.89317	3.7
113.02348	13.5
115.30168	3.3
119.03379	5.2
123.98155	3.6
125.02348	6.0
131.03416	4.3
149.04448	7.9
161.04440	13.8
191.05519	13.9
240.99739	3.7
242.05283	4.0
244.74146	4.0
260.51712	4.4
371.20782	5.7
381.80286	3.6
389.21869	8.9
403.13840	13.8
431.22879	8.5
466.83685	4.0
503.25061	17.0
506.99991	4.3
521.26025	39.4
537.17773	4.3
563.27118	97.8
564.27307	20.4
585.10358	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	607.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93827	0.9
57.03323	2.0
59.01252	17.5
63.02260	1.9
65.00197	16.7
69.52836	2.2
69.53259	4.2
71.01256	8.3
73.02831	4.2
73.95094	0.8
75.37449	0.8
81.03326	1.4
81.62800	0.9
83.01256	11.9
85.02823	3.6
86.08306	0.8
87.00737	1.3
89.02317	2.9
93.03349	6.7
96.95901	3.3
97.02820	1.0
99.00746	2.8
101.02328	4.0
106.27176	0.8
107.01276	26.0
108.02099	1.4
109.02828	2.6
111.00774	1.0
113.02361	4.3
117.03373	4.2
117.04095	0.9
119.04922	49.4
120.05214	2.5
121.02837	3.2
123.04401	1.4
125.02344	24.6
133.02869	1.4
135.04420	3.8
136.01585	1.8
137.02406	2.0
143.04955	2.9
145.02869	24.6
149.02356	3.4
149.04510	1.0
151.00282	100.0
151.03899	5.3
152.00650	3.8
161.02379	1.4
161.04533	1.6
161.06023	1.6
163.03905	1.8
165.01852	6.0
167.03429	1.6
169.01320	3.3
175.00262	2.4
177.01855	6.6
178.02559	1.7
179.03421	2.6
181.04967	0.9
185.06029	5.1
187.03934	3.2
188.07111	1.2
191.03424	1.2
191.05489	1.3
193.01439	1.5
193.05109	4.1
194.05376	1.6
196.03822	1.1
197.04199	1.1
207.02966	0.9
209.11798	1.0
217.01234	1.1
227.07098	20.5
228.07378	1.8
235.02397	4.4
237.03969	1.0
241.46222	0.8
270.05435	1.3
271.06143	55.6
272.06473	3.7
273.11472	1.6
286.92917	0.9
295.06140	2.5
313.07178	5.7
325.05621	1.1
359.15198	1.0
373.11365	1.0
403.13940	3.0
445.11411	6.7
461.13303	5.7
469.10049	2.8
487.10959	29.7
487.25366	2.4
488.11285	3.3
505.26968	4.1
521.16351	2.4
563.17950	3.8
565.15594	1.8
607.16705	71.8
608.17041	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	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	5.0
59.01255	72.8
61.98697	32.4
71.01256	24.6
71.58791	9.9
75.00753	8.2
83.01257	6.7
85.02827	9.2
89.02333	12.0
96.95885	6.3
97.02882	5.1
101.02337	23.8
109.06509	10.7
113.02343	6.8
138.92902	4.9
163.11253	9.2
165.12767	8.2
171.10275	6.5
189.82620	5.5
198.63239	5.0
207.10191	13.4
209.11693	26.0
211.13284	8.1
247.20619	12.4
253.09233	35.7
291.19684	82.1
292.20087	5.3
309.20721	100.0
310.21054	5.5
397.13455	8.5
415.14148	5.6
605.25476	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	605.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39569	1.3
57.03344	1.5
59.01244	2.0
59.24091	1.3
61.98680	1.6
67.22038	1.3
71.58247	1.8
72.99194	1.7
83.04918	1.5
87.00757	1.6
91.63118	1.3
92.29246	1.4
121.10128	8.8
125.09607	4.3
139.92293	1.2
185.11761	6.8
197.11832	2.0
207.09964	5.3
214.61308	1.2
245.19127	8.4
268.35904	1.5
278.97873	1.3
291.19678	31.6
292.19986	2.2
295.16861	1.6
313.17862	100.0
314.18231	8.3
353.94495	1.6
581.53400	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	606.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.8
58.02849	5.8
59.01250	8.0
63.59371	0.9
67.40582	0.8
68.98753	0.8
69.44028	8.0
71.01259	6.2
72.99178	1.2
73.02813	1.9
79.95570	0.9
81.03327	2.0
82.96355	0.8
85.02818	2.4
87.00750	1.4
89.02304	2.6
89.70770	0.8
92.23615	0.8
93.03341	1.1
96.95898	3.7
99.00760	2.6
101.02326	3.7
109.02861	2.0
113.02325	1.9
117.47261	1.0
120.32625	0.9
121.02910	1.5
122.03574	1.1
123.00798	1.0
123.04408	13.2
124.01577	4.1
125.02332	1.8
135.04454	1.6
137.02345	39.1
139.03911	3.8
147.04393	4.8
149.02347	1.5
149.04497	1.0
150.03082	1.7
151.03920	46.4
152.04697	40.5
153.05031	1.7
161.02301	1.0
161.04501	0.8
164.07104	1.5
165.05435	1.1
166.02612	1.0
167.03455	1.9
167.07027	5.3
177.01859	2.1
178.02591	3.8
181.04961	1.9
188.07124	1.6
191.05531	2.3
193.05002	6.3
195.02908	6.2
196.03708	100.0
197.04062	3.7
206.08157	8.3
211.06058	49.1
212.06311	1.8
223.06207	0.8
227.07069	1.0
254.06987	0.8
303.46298	0.9
317.27811	0.9
340.07928	3.2
355.10324	9.9
358.09329	1.1
373.11295	6.6
403.14008	3.4
443.48727	0.9
488.12976	3.0
503.15591	33.6
503.23105	1.7
504.15750	4.3
545.58917	0.9
547.17017	4.2
562.19177	32.4
562.27441	1.8
563.19714	4.3
588.25397	1.8
606.26379	1.6
607.18109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	45.8
61.98677	3.5
64.23687	2.7
65.80405	3.0
71.01246	13.5
71.38656	6.5
73.02811	3.1
85.02800	4.0
89.02331	9.9
97.02820	7.9
101.02341	14.4
109.06505	3.7
113.02349	10.4
113.19291	2.8
119.03374	4.1
119.08625	2.9
125.02307	3.3
137.09645	3.3
161.04478	4.8
163.11206	4.8
165.12798	4.6
171.10159	5.0
197.11818	5.4
207.10252	6.5
209.11865	4.7
211.13382	4.7
247.20634	6.0
248.29050	2.7
252.34534	3.0
253.09276	61.3
291.19638	42.2
292.19815	4.6
307.07220	3.3
309.20703	100.0
310.21152	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14928	5.3
59.01252	43.3
69.27474	5.9
69.28484	63.9
71.01241	13.7
89.02277	6.6
100.03896	5.2
101.02348	10.5
165.12851	7.3
168.56255	5.9
227.12848	6.4
253.09164	39.9
291.19647	46.6
309.20718	100.0
394.14883	6.4
414.80872	6.1
451.92776	6.3
467.38104	6.5
563.35669	7.0
632.82178	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82733	1.5
53.81104	1.4
57.03329	2.2
59.00951	2.1
59.01252	42.2
61.98698	3.9
69.03305	1.6
70.15917	6.2
71.01237	8.1
75.00749	17.1
81.03320	2.3
83.01263	5.5
83.04903	3.6
85.02825	3.2
87.00745	2.3
89.02319	10.2
97.06447	2.2
101.02355	9.9
113.02322	4.0
119.03396	3.1
123.08047	1.5
125.09586	5.1
127.11176	1.6
139.11209	2.8
161.04446	2.9
163.11205	3.5
165.12782	9.1
167.10699	3.7
181.12228	2.8
191.10628	2.5
193.15805	2.4
207.10165	1.8
209.11757	36.0
210.12096	2.5
211.13379	3.2
227.12740	2.3
235.08134	2.2
247.20685	8.5
253.09258	33.5
265.21597	4.5
291.19690	61.2
292.19983	4.6
309.20718	100.0
310.21078	10.6
346.20059	1.7
357.71439	1.5
393.35492	1.6
397.37552	1.5
447.13623	3.2
545.29437	4.0
605.27386	2.4
606.27026	2.0
618.56958	1.8
630.35681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00976	2.1
59.01229	3.1
60.99152	2.5
62.98457	2.0
68.94791	2.3
71.80553	2.3
76.74316	2.0
78.95783	6.6
87.00759	5.4
88.00272	13.4
88.98693	17.7
89.02319	100.0
123.41570	2.5
131.04982	2.2
140.25610	2.2
147.15070	2.3
167.01112	3.3
175.95921	2.5
197.41786	2.8
227.58430	2.3
230.03661	2.6
239.20482	2.3
260.56277	2.2
277.62186	2.5
285.57837	2.3
545.21729	3.9
594.59692	2.5
605.29742	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27614	4.0
57.03331	7.7
59.01251	80.4
61.98707	10.1
64.87333	4.5
69.83610	10.7
69.84023	20.1
71.01263	20.2
73.02827	6.0
79.09680	4.0
83.04945	5.1
85.02847	4.4
89.02319	10.1
96.95928	6.6
101.02336	8.9
102.05246	5.0
103.77898	4.4
111.08077	5.3
145.61609	4.1
151.11211	18.0
163.11192	7.0
165.12784	31.0
181.12230	22.2
191.10674	10.5
209.11780	100.0
209.13780	6.5
227.12825	22.8
253.09308	38.8
265.21637	24.3
291.19687	11.5
309.20688	56.2
378.75021	4.3
430.54584	4.7
445.20758	24.5
545.30042	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60339	1.0
56.65076	0.9
59.01253	3.5
60.99173	3.2
66.21186	1.0
71.59378	1.5
72.40588	1.0
87.00749	6.2
88.00281	12.3
88.98688	16.3
89.02321	100.0
90.02652	1.5
96.95925	1.3
211.09004	1.1
279.23392	2.5
456.13239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13369	0.6
70.54341	0.6
71.36031	1.3
80.62209	0.6
190.32965	0.6
202.06154	0.6
263.08218	0.7
274.62439	0.5
328.27402	0.6
415.15341	1.2
420.13068	0.6
428.24945	0.7
429.17203	1.1
430.17908	1.5
444.19141	0.8
456.16180	0.6
457.20651	2.7
459.17694	3.5
471.18341	1.8
472.18216	0.6
473.19818	4.2
474.20328	1.3
485.18921	3.4
486.20755	3.9
487.21158	1.1
496.19174	0.9
499.17651	2.0
500.18127	0.7
501.23593	2.8
511.21655	2.6
513.19403	2.4
514.20142	9.0
515.20715	1.3
518.19525	1.2
529.22461	100.0
530.22766	18.9
530.28967	0.5
532.21075	2.0
533.22058	2.3
561.25153	0.8
573.20850	0.8
580.44495	0.6
592.11212	0.6
605.24188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.57330	17.5
69.57755	6.0
71.01263	41.4
72.99193	2.5
73.02823	17.0
73.03181	2.6
78.85947	3.1
78.98438	4.2
83.01250	4.2
85.02829	14.2
89.02329	23.1
96.95882	4.8
98.20615	3.2
99.00761	33.6
101.02320	25.9
109.06473	3.4
113.02320	20.6
113.15976	2.7
119.03397	8.4
125.02339	7.7
125.93091	3.2
127.62743	2.7
131.03351	4.3
143.03424	3.1
149.04459	10.8
153.05482	3.4
161.04468	8.2
191.05537	14.9
203.05513	4.0
225.14897	6.6
369.19275	4.8
387.20349	14.3
407.26816	3.5
429.21478	14.8
519.24261	18.3
561.25494	81.9
562.25623	11.9
605.26624	4.4
613.66101	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	605.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04798	3.2
57.03312	3.5
59.01252	98.9
59.21550	3.3
61.69719	3.0
62.79816	2.9
63.14560	2.9
68.83617	3.1
69.41282	30.2
71.01258	38.8
73.02811	11.5
83.01267	4.6
84.96330	3.6
85.02822	12.8
89.02306	16.8
96.95902	4.0
99.00776	17.1
101.02324	13.0
113.02319	19.1
125.02378	3.8
138.06743	9.9
153.09117	30.3
159.57210	3.5
161.04437	7.3
225.14919	42.5
226.15312	4.3
299.12262	3.8
338.28003	3.9
369.18958	7.2
405.25058	5.6
407.26617	17.5
429.21115	15.2
429.49582	3.3
519.24524	20.2
561.25519	100.0
562.25702	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	603.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35440	49.8
59.01252	100.0
60.00006	54.3
61.01151	54.3
65.99357	75.4
71.58768	58.8
83.83306	59.0
97.92151	60.1
114.67943	64.2
148.30365	68.5
163.63130	66.0
175.36086	56.7
194.40822	63.7
198.78098	67.2
229.52126	62.4
390.28442	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61804	0.6
61.67534	0.7
67.13354	0.7
68.43153	0.7
69.23869	1.3
69.24268	6.8
80.11176	0.6
97.83179	0.7
98.19821	1.3
119.04942	0.8
145.37076	0.8
289.54849	0.7
404.81750	0.7
416.16351	1.2
429.16840	1.0
430.18198	2.4
456.16183	0.8
457.20779	0.9
459.18497	2.5
471.18137	1.7
472.19238	0.8
473.19839	4.6
474.20135	0.9
485.20135	2.8
486.20908	4.0
487.21573	1.4
499.17743	2.3
501.22708	2.7
511.21558	2.8
512.22430	1.2
513.19293	3.3
514.20068	10.0
515.20551	1.4
518.19629	1.5
529.22449	100.0
530.22791	17.9
532.21161	1.9
533.21790	1.6
561.25342	0.8
604.42548	0.8
605.23676	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	603.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85322	0.6
59.01251	3.8
60.99182	1.5
71.01242	1.1
83.10241	0.7
87.00745	7.2
88.00278	8.5
88.01094	1.4
88.03922	0.8
88.98682	10.3
89.02322	100.0
90.02667	1.2
97.50115	0.7
101.21033	0.6
103.73333	0.7
115.07890	0.6
143.25888	0.7
149.34283	0.7
229.91217	0.9
271.87936	0.7
277.21713	2.0
382.52563	0.7
469.72055	0.7
497.37778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03691	0.7
50.64570	0.7
58.08875	0.7
59.01246	2.4
60.99166	2.6
65.77206	0.7
69.25575	7.7
78.95782	2.5
79.18600	0.8
86.90915	0.7
87.00748	5.9
88.00285	13.9
88.01083	1.0
88.98686	15.7
89.02321	100.0
90.02683	1.3
112.47086	0.7
112.64892	0.8
148.90904	1.1
228.90804	1.2
277.21692	1.0
543.20056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03335	1.3
58.00470	3.0
59.01253	52.0
59.52851	0.2
60.01600	0.4
61.28852	0.2
61.37046	0.2
68.99677	0.2
69.03343	0.7
71.01257	52.9
71.06912	0.5
71.07278	0.3
72.01595	0.6
72.99181	3.7
73.02828	3.7
75.00753	1.0
78.95786	1.6
81.03336	0.3
83.01260	6.5
85.02826	9.1
86.03181	0.2
87.00755	17.7
88.01126	0.3
89.02319	51.0
90.02648	0.7
92.35724	0.2
95.01259	3.1
97.02843	1.1
99.00762	1.8
99.04420	0.3
100.46792	0.2
101.02326	25.0
110.98415	0.5
111.00776	0.9
113.02338	24.2
114.02657	0.6
115.03933	0.8
116.92803	0.2
117.01875	0.3
119.03391	18.0
119.85000	0.2
120.03705	0.3
122.77663	0.2
125.02345	1.5
125.05986	0.3
129.01852	0.8
131.03404	2.7
141.01825	1.1
143.03406	7.6
149.04456	1.7
159.02911	0.6
161.04474	8.3
162.04820	0.2
167.01126	0.7
178.94180	0.4
179.05540	18.7
180.05870	0.5
261.22147	0.6
263.23819	0.5
275.23706	0.4
277.04874	0.2
279.23288	100.0
280.23657	7.9
282.99094	0.5
293.24869	9.2
294.25198	0.7
303.23254	1.1
321.24362	3.1
323.09818	10.5
324.10175	0.5
333.24316	0.4
337.23889	0.2
341.10892	37.0
342.11185	2.0
351.25381	0.6
543.20313	1.2
603.33899	1.0
616.08911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32013	3.0
57.03313	4.7
59.01248	86.9
61.98707	3.9
69.03361	3.2
69.61385	10.3
69.61810	13.8
71.01256	26.2
72.12675	3.0
73.02824	5.8
75.00742	8.0
85.02822	10.6
89.02315	17.6
97.06479	15.8
101.02325	26.3
111.08022	7.7
113.02316	11.6
116.84689	3.3
119.03331	3.4
119.04926	4.5
151.11182	13.9
155.10739	6.4
157.74800	2.9
159.09966	2.9
161.04468	9.2
163.11179	5.0
165.12761	14.1
171.10155	9.2
172.10509	4.8
179.10654	4.1
181.12201	11.6
191.10692	10.5
191.14272	4.8
209.11794	60.5
211.13287	13.3
212.13715	4.6
227.12816	19.2
245.19077	15.4
253.09306	67.7
263.20126	26.9
270.94946	3.3
289.18091	31.9
307.19168	100.0
308.19540	10.7
308.54019	3.5
445.20706	21.2
460.19574	4.5
543.28284	8.0
545.30469	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.3
59.01254	68.9
66.92439	2.4
69.34682	24.5
71.01263	15.4
77.42846	2.4
77.88663	2.5
83.01292	3.4
83.04871	2.4
85.02847	5.6
87.00758	2.8
89.02317	10.3
89.62731	2.4
95.04918	2.5
97.05951	2.4
97.06459	12.2
101.02332	11.1
108.35294	2.3
111.08031	4.3
113.02337	6.8
125.09587	2.8
149.09651	2.8
151.11194	12.1
161.04517	4.7
165.12753	14.4
171.10210	7.5
172.10544	4.0
179.10678	3.3
179.54665	2.6
181.12276	11.1
183.13837	4.0
191.10713	6.9
191.14313	3.8
209.11792	48.2
210.12109	2.7
211.13362	11.3
212.13716	2.6
218.06131	2.3
221.66937	2.4
227.12878	19.2
235.08078	2.5
245.19154	12.5
253.09305	31.6
263.20145	21.1
279.19629	4.3
282.42557	2.5
289.18088	28.4
307.15628	5.7
307.19159	100.0
308.19519	9.3
358.65808	2.6
368.93787	2.6
445.20752	15.0
446.21451	3.3
460.19455	5.5
543.28180	9.4
621.59528	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	603.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	3.4
59.01252	100.0
60.93918	2.5
70.01668	11.9
71.01252	55.6
72.99178	3.4
73.02821	39.0
76.43848	2.8
81.51934	2.5
82.95297	5.9
83.02383	13.6
85.02842	17.9
87.00758	3.3
89.02323	53.3
96.95878	14.5
97.02814	3.2
99.00760	97.5
101.02327	25.2
109.02853	3.6
113.02328	23.8
119.04879	5.4
125.02367	4.6
131.03410	16.7
135.53496	3.2
138.06770	8.4
143.03397	4.7
144.01338	3.3
149.04472	49.6
151.03905	5.5
151.07527	5.7
152.08347	13.8
153.09126	34.1
155.03355	5.8
161.04474	9.9
191.05531	31.5
193.70139	2.8
200.19955	3.0
203.05518	18.3
205.12271	39.8
208.01572	3.2
223.13362	12.6
233.06683	10.1
249.37732	2.7
335.09930	4.4
343.03897	3.5
349.81290	3.2
351.83328	3.7
367.17557	6.4
427.19809	10.6
517.22839	10.7
559.24017	90.3
559.32715	5.4
560.24255	13.5
603.24548	30.2
604.24786	3.9
622.37598	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	603.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
59.01249	6.7
67.38896	0.3
69.72251	2.4
71.01248	10.1
73.02811	4.0
79.05400	0.4
83.01250	0.7
85.02819	2.8
87.00764	0.7
89.02318	4.4
93.03320	2.2
96.95892	0.4
98.19800	0.7
99.00755	11.2
101.02321	5.7
107.04916	5.1
107.83456	0.4
113.02338	4.1
113.51776	0.3
118.97478	0.3
119.04913	93.9
120.05243	3.2
123.35922	0.3
125.02351	0.4
131.03383	1.0
134.03635	1.4
140.52260	0.3
143.03410	1.6
145.10164	0.4
147.04372	0.6
148.05161	0.6
161.04474	2.3
162.03085	0.4
166.02620	2.7
171.08034	1.0
173.06003	1.8
174.06786	1.1
177.09102	0.8
189.09135	100.0
190.09483	5.5
191.05507	2.7
192.59088	0.4
203.10693	10.1
204.11014	0.6
215.10683	0.9
288.77805	0.3
293.08810	1.3
302.04623	0.3
309.14948	60.9
310.15305	5.8
385.66483	0.4
413.14273	0.6
420.14682	0.4
471.20035	1.7
603.24463	35.6
604.24713	5.9
616.12256	0.4
622.05951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10654	1.7
58.98844	2.0
59.01252	62.8
61.98705	5.2
70.57143	7.0
71.01259	11.8
72.99165	2.2
73.02834	4.6
75.84947	2.0
80.19839	2.5
81.03321	3.5
83.01260	3.5
83.04887	3.0
83.68630	2.0
85.02866	3.8
88.98682	3.6
89.02330	12.3
95.04884	3.2
96.95889	3.3
97.06454	2.5
101.02334	13.1
109.02857	2.3
113.02327	4.6
119.03423	2.2
119.04896	5.6
125.09592	4.6
137.09636	3.9
151.38809	2.2
161.04472	6.5
163.11246	4.6
169.12270	7.2
171.10172	11.2
185.11795	7.8
191.14368	7.1
207.10123	4.1
209.11761	18.7
211.13379	5.4
212.13777	2.7
214.68787	2.1
237.11351	2.6
245.19002	15.2
253.09296	36.7
289.18097	100.0
290.18588	11.5
307.19159	67.5
308.19531	5.1
449.19650	2.6
514.12225	2.1
539.51178	2.1
603.30054	7.6
610.02942	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13519	4.3
59.01248	100.0
71.01251	38.5
71.18164	4.3
71.22734	8.9
72.99178	4.6
73.02811	33.6
75.00779	4.4
83.01303	12.3
85.02824	12.2
89.02316	8.7
92.43407	4.9
93.03316	6.5
96.95886	6.6
101.02320	34.1
113.02331	13.6
119.04900	29.0
135.04398	6.6
137.02330	13.2
161.02420	9.4
161.04448	8.2
173.04509	5.2
175.07596	5.1
177.05516	5.9
177.61967	5.1
191.05632	8.6
202.06219	6.9
215.07002	14.9
217.08687	28.9
226.97685	4.7
266.50577	4.6
308.18539	6.9
337.14438	40.4
399.10800	9.4
451.15756	5.4
603.30896	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	603.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	3.4
59.01252	100.0
60.93918	2.5
70.01668	11.9
71.01252	55.6
72.99178	3.4
73.02821	39.0
76.43848	2.8
81.51934	2.5
82.95297	5.9
83.02383	13.6
85.02842	17.9
87.00758	3.3
89.02323	53.3
96.95878	14.5
97.02814	3.2
99.00760	97.5
101.02327	25.2
109.02853	3.6
113.02328	23.8
119.04879	5.4
125.02367	4.6
131.03410	16.7
135.53496	3.2
138.06770	8.4
143.03397	4.7
144.01338	3.3
149.04472	49.6
151.03905	5.5
151.07527	5.7
152.08347	13.8
153.09126	34.1
155.03355	5.8
161.04474	9.9
191.05531	31.5
193.70139	2.8
200.19955	3.0
203.05518	18.3
205.12271	39.8
208.01572	3.2
223.13362	12.6
233.06683	10.1
249.37732	2.7
335.09930	4.4
343.03897	3.5
349.81290	3.2
351.83328	3.7
367.17557	6.4
427.19809	10.6
517.22839	10.7
559.24017	90.3
559.32715	5.4
560.24255	13.5
603.24548	30.2
604.24786	3.9
622.37598	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	603.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95818	4.9
55.90727	5.0
59.01252	85.2
70.02759	5.7
70.07226	23.2
71.01256	17.4
72.66308	6.9
73.02811	12.7
73.79085	5.4
84.51850	4.9
85.02822	13.6
89.02315	10.9
90.95236	5.9
91.05421	16.4
94.00002	5.5
96.95864	8.4
97.02797	5.9
99.00783	20.2
101.02311	16.1
109.02855	30.3
113.02353	11.5
119.04909	8.8
121.02853	46.6
125.02293	6.6
135.04420	100.0
147.04401	12.9
151.03836	5.5
161.05928	6.8
171.10184	12.3
189.09195	20.3
217.08626	25.6
218.09436	8.2
219.10277	9.5
233.11719	7.7
286.36127	5.6
355.15536	60.4
356.15915	7.0
483.19147	6.5
559.21405	18.5
603.30835	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	603.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
64.99231	3.3
69.77443	19.2
71.01250	33.6
73.02817	38.2
83.01249	12.0
85.02821	4.9
89.02310	4.8
93.03326	13.6
101.02326	30.3
113.02323	9.2
119.04901	12.5
133.36060	4.2
135.04381	5.6
137.02365	28.5
151.03937	3.8
151.26950	3.3
152.04671	3.6
155.03487	3.7
161.04396	9.2
196.03577	8.0
211.05943	6.9
215.07133	4.9
217.08662	7.0
251.27345	3.4
258.46909	3.1
337.14444	6.5
339.12677	3.6
462.27728	3.7
483.29236	9.2
501.30157	5.1
559.21198	7.8
624.79175	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	603.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25554	3.3
55.57107	3.0
56.59753	3.5
59.01258	42.1
59.58873	3.3
60.29866	3.3
61.98705	3.5
62.45559	3.9
69.25673	3.0
69.29469	2.9
71.01253	17.8
73.02835	6.9
79.18955	3.3
85.02831	4.4
89.02322	12.7
93.03321	3.6
96.95886	6.4
97.87363	3.6
99.00719	5.9
101.02316	11.0
103.34589	3.3
103.73940	3.9
108.02011	4.5
108.06185	4.0
113.02336	11.5
119.03402	4.2
119.04919	100.0
120.05198	3.9
121.02807	3.5
128.05377	3.2
150.03137	8.2
161.04562	4.5
161.05954	3.6
163.03896	5.0
171.43134	3.4
192.07701	4.4
195.06403	4.5
203.07040	16.2
205.08803	3.8
215.07176	4.7
220.07343	11.8
221.08015	17.1
224.84586	3.6
229.75867	3.9
233.08243	6.5
234.08862	3.7
235.09721	93.2
289.38052	4.1
337.14438	5.0
355.15518	57.6
356.16006	8.9
429.55231	3.6
470.87253	3.5
495.11133	3.6
501.60049	3.4
559.22003	12.3
560.21674	4.5
565.97241	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	603.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.3
61.98695	1.0
65.03830	3.1
67.01761	1.4
71.01247	4.0
71.35881	1.7
73.02816	1.1
85.02797	1.7
88.14066	0.9
89.02319	1.7
91.04894	1.5
91.05413	13.7
93.03344	3.4
96.95890	3.5
101.02319	2.2
109.02839	38.6
110.03164	1.2
113.02312	1.1
119.04917	4.1
121.01956	2.0
121.02839	41.6
123.04362	1.9
133.02814	1.8
135.04414	100.0
136.04759	3.4
137.02333	3.4
147.04411	9.9
149.02348	2.8
150.03088	1.0
151.03900	3.9
152.04701	3.4
157.08614	3.2
163.03902	3.6
165.02026	0.9
167.21362	1.0
171.10106	0.9
175.03937	3.7
176.08365	1.2
179.07080	1.3
187.07518	0.9
189.09167	6.0
191.07062	8.5
192.07785	3.3
196.03734	7.2
201.09117	2.2
203.07129	2.3
203.10693	2.4
204.07867	5.1
205.08597	3.0
206.09354	3.1
207.10083	1.4
209.11700	3.4
211.06029	3.1
213.09171	2.4
217.08691	5.0
218.09425	24.6
219.10207	17.4
226.79529	0.8
230.09505	4.5
233.11790	11.8
234.12219	1.2
245.11766	12.7
246.12128	1.3
250.27602	0.8
279.85608	0.9
282.03723	1.0
309.14883	1.5
323.12848	6.8
340.13123	1.9
355.15494	83.2
356.15750	10.1
388.87677	1.1
483.29327	1.4
559.21869	13.9
560.22052	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	603.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	19.5
61.98699	2.4
65.03831	2.7
70.04302	10.0
71.01249	5.7
73.02840	2.7
73.32121	2.1
89.02293	3.0
89.94108	2.3
91.05412	14.8
93.03329	3.5
98.20557	2.5
109.02830	42.3
113.02328	2.8
115.62727	2.1
121.02826	34.8
135.04413	100.0
136.04779	4.1
147.04413	8.8
161.06027	2.3
171.10129	4.0
175.03899	4.4
191.07042	5.7
204.07863	5.8
205.08635	4.3
217.08653	3.5
218.09412	21.1
219.10176	16.8
224.97987	2.3
233.11702	13.0
245.11769	10.6
323.12781	3.8
323.90659	2.6
329.03265	2.7
355.15485	76.0
355.24722	4.1
356.15686	7.1
374.11102	2.7
559.22058	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	601.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52828	0.5
56.99089	0.6
57.43565	0.5
59.01265	2.7
71.01252	1.7
71.06484	0.7
85.02837	0.7
87.00755	100.0
88.00281	9.2
88.01112	1.4
88.03935	0.5
89.02332	1.4
98.19756	1.3
99.00716	0.5
113.02341	0.9
171.10182	1.2
211.13293	0.7
272.89471	0.6
277.21738	8.9
394.40689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64114	1.8
57.03301	2.2
58.00487	2.3
59.00953	2.8
59.01252	52.4
69.03327	3.7
71.01253	58.4
72.99196	6.8
73.02826	8.9
75.00754	3.1
83.01264	13.6
85.02818	16.2
87.00755	63.6
89.01759	2.6
89.02314	45.1
95.01298	3.8
97.02872	2.6
99.00756	3.1
101.02317	37.3
112.42721	1.5
113.02330	38.9
113.03063	2.5
119.03396	17.1
125.02345	2.0
128.83192	1.5
129.01840	2.4
131.03418	1.9
141.01822	2.7
143.03419	6.7
161.04466	15.3
171.10127	3.7
179.05519	20.0
211.13483	1.9
219.77394	1.8
226.82175	1.5
261.22427	1.8
267.71786	1.6
273.22311	3.1
277.21722	100.0
278.22098	10.4
288.93845	1.9
291.23297	22.6
292.23874	2.8
301.21844	3.8
319.22668	8.4
323.09848	11.6
341.10901	48.3
341.14941	3.5
342.11508	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
56.61579	0.3
57.03323	2.3
58.00470	3.4
59.01250	70.7
60.01606	0.6
68.99697	0.3
69.03328	1.1
71.01251	60.5
72.01578	0.8
72.99181	4.3
73.02828	4.0
75.00750	1.1
75.62577	0.2
83.01261	6.6
83.04895	0.4
84.02034	0.3
85.02824	10.6
87.00750	19.5
88.01071	0.3
88.22941	0.3
89.02316	58.0
90.02684	0.7
95.01266	3.9
97.02830	1.4
99.00777	1.7
99.04404	0.3
101.02321	28.9
102.02666	0.4
107.03415	0.4
111.00756	0.6
113.02328	29.2
114.02676	0.6
115.03899	0.6
117.01835	0.5
119.03387	21.4
120.03726	0.3
123.04380	0.3
125.02350	1.7
125.05938	0.2
127.03882	0.3
127.07507	0.5
129.01842	1.1
131.03386	3.4
139.07513	0.4
141.01839	1.2
143.03400	8.7
144.03671	0.4
149.04474	1.8
159.02898	0.4
161.04463	9.5
179.05531	19.5
180.05807	0.9
191.20743	0.3
216.99414	0.3
259.20706	0.5
273.22308	1.0
275.20300	0.3
277.21713	100.0
278.18954	0.6
278.22052	10.3
291.23273	8.2
292.23630	0.5
301.21732	1.0
302.22202	0.3
319.22711	3.8
323.09818	11.3
324.10080	0.9
331.22809	0.4
341.10873	39.5
342.11325	2.2
349.23785	0.5
373.23862	0.3
377.11859	0.3
508.12933	0.3
533.93896	0.3
568.05176	0.3
601.32959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06776	0.8
57.87935	0.8
59.01255	6.2
63.25377	0.7
69.94617	1.3
69.94999	4.1
71.01249	3.0
73.02831	1.5
83.36702	0.8
85.02835	0.9
89.02316	1.3
93.03337	58.1
94.03676	2.3
96.95881	2.6
99.00766	3.8
99.96764	0.9
101.02290	1.8
113.02306	0.9
137.02345	100.0
138.02673	3.6
155.79060	0.8
155.92934	0.8
160.45047	0.9
161.04456	0.9
171.10188	1.1
191.05542	1.5
222.01384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35266	2.6
51.64346	2.9
54.07784	3.2
59.01251	100.0
60.99183	3.1
61.98716	7.1
69.24606	31.5
69.25002	7.0
71.01250	36.9
72.99192	4.3
73.02819	23.3
73.34556	3.1
78.37338	3.1
80.91557	5.7
83.01274	11.2
84.36861	3.2
85.02826	10.3
87.00740	2.8
87.59314	2.9
89.02328	9.2
91.01791	7.1
93.03339	6.3
95.01292	3.6
96.95865	8.2
99.00739	11.4
101.02335	19.6
105.03339	3.6
108.02050	7.1
109.02848	7.3
113.02328	15.9
116.92741	4.2
119.03355	4.2
119.04935	9.3
121.02831	15.6
125.02354	5.2
131.03421	3.3
133.02837	12.4
135.00809	8.3
135.04443	5.7
137.02383	4.0
149.02365	6.8
149.04486	3.6
152.01089	8.3
157.06444	3.0
159.00516	3.0
161.04385	4.2
166.36343	2.9
171.10162	19.0
177.01817	5.5
190.99551	9.2
191.05568	7.5
196.03746	3.1
209.11853	4.8
210.12106	5.3
211.13368	13.6
242.05786	4.7
243.06577	44.6
244.06947	4.5
254.07933	4.9
297.03693	4.6
335.09283	20.5
337.14474	3.6
353.10239	16.7
387.10904	4.7
395.11530	4.0
427.10187	7.6
519.14923	9.8
541.13074	7.4
553.37195	3.3
559.14099	13.5
601.36176	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	599.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.02795	1.5
71.01241	8.7
71.59366	1.7
72.75220	1.3
73.02831	5.3
83.01270	1.8
85.02831	3.1
86.25601	1.3
87.96906	1.3
89.02306	10.0
91.91924	1.5
94.02850	2.9
96.95875	2.3
99.00773	11.5
101.02317	3.8
106.34241	1.3
107.15024	1.4
108.02077	3.8
109.02856	1.5
113.02322	3.2
125.02287	3.4
131.03357	1.9
137.02347	3.1
142.84323	1.3
149.02339	1.6
149.04482	8.2
165.01944	1.9
168.49634	1.4
171.10207	11.1
172.10500	2.0
191.05493	3.4
200.04774	16.6
209.11809	8.3
217.12392	1.4
241.08612	1.6
244.75116	1.5
253.13348	1.7
277.56775	1.5
327.12463	11.0
336.12430	37.4
345.20660	1.6
380.11859	1.5
381.23813	1.4
456.93628	1.4
599.27960	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	600.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.16658	0.5
60.01599	1.0
61.98712	0.6
69.42055	4.0
69.82828	0.4
71.01264	1.4
73.02805	0.5
74.02364	1.2
82.21825	0.4
86.02345	0.6
89.02328	0.6
93.50813	0.4
96.95917	0.6
98.19823	1.0
98.28159	0.5
99.00770	0.5
99.05531	0.7
101.02317	1.0
108.02077	1.5
113.02320	0.7
127.11201	0.5
128.03409	2.5
143.04526	3.8
171.10144	4.3
179.04533	0.8
183.04550	0.7
191.05644	0.6
200.04732	9.7
201.05235	0.6
209.11780	0.5
210.08871	0.8
211.13387	3.1
218.02222	0.4
254.07774	2.6
272.08853	3.3
336.12411	15.7
337.12869	2.2
600.29608	0.8
615.97186	0.7
626.54553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15828	1.0
55.74321	0.9
58.02848	12.0
59.01244	3.2
60.68776	0.9
66.03346	1.4
68.04923	1.1
70.94505	2.1
71.01261	1.5
72.00738	1.0
74.00560	1.1
74.02346	27.8
81.04451	2.1
82.02862	4.0
84.04448	1.4
86.02341	11.9
86.05992	1.7
86.98965	1.6
87.05508	3.6
88.03903	1.3
97.03969	4.4
99.05520	24.9
100.00282	3.3
101.02303	1.1
101.07098	5.3
102.05482	4.3
103.22875	1.0
107.06027	1.1
108.80201	0.9
109.03968	5.7
111.05517	1.5
112.03909	2.8
123.05503	2.8
124.03958	1.6
125.03440	3.4
127.05006	4.4
128.03430	76.6
129.03731	1.8
130.20642	0.9
135.05551	6.3
138.00568	0.9
141.06572	2.1
143.04527	94.9
144.04895	2.0
145.06093	4.5
146.04504	10.9
149.07132	1.5
153.06583	5.4
155.14320	2.1
166.09784	3.1
167.04532	4.0
167.08176	5.8
170.03271	2.1
170.74796	0.8
171.04016	2.5
171.10167	3.9
179.04565	25.9
181.06105	2.7
184.10748	1.0
185.03941	1.1
185.05577	2.7
186.10858	2.0
187.07935	1.3
192.07664	1.4
197.05620	4.2
210.08777	22.5
211.09064	1.1
211.13342	3.5
216.08284	1.1
228.10025	2.4
236.06680	1.4
241.16173	1.0
249.22137	1.9
254.07805	56.9
255.08066	3.3
272.08887	100.0
273.09158	5.7
293.21124	2.1
304.05954	0.9
327.20047	8.0
328.20480	1.4
471.25540	6.1
505.15256	1.2
582.28522	7.1
600.29626	40.1
601.29974	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	599.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97444	1.8
58.02851	16.5
59.01254	15.4
61.98697	6.3
66.03352	2.0
71.01263	9.5
73.02831	4.4
74.02345	36.5
74.64311	1.7
75.95992	1.4
77.81299	2.1
81.04472	2.4
82.02870	4.6
83.01242	2.5
85.02824	4.9
86.02335	13.0
86.05992	2.3
87.00753	2.3
87.05515	7.1
88.03878	1.9
89.02311	3.5
96.95899	11.4
96.99811	8.1
97.02797	2.0
97.03934	3.3
98.02383	2.2
98.19759	3.6
99.00761	4.3
99.05527	31.4
101.02292	3.5
101.07083	5.4
101.42320	1.7
102.05505	5.2
108.02101	2.4
108.04442	1.9
109.02867	2.6
109.03978	5.8
109.07624	2.1
110.00594	3.6
111.05492	2.1
112.03993	2.3
113.02279	2.3
121.02853	3.4
123.04402	6.3
123.05511	2.1
124.03971	2.4
125.02452	2.3
125.03487	5.0
127.05044	4.6
127.21389	1.7
128.03432	79.2
134.03676	2.4
135.04471	2.5
135.05557	8.0
137.02345	10.3
141.06592	3.6
143.04529	100.0
144.04846	2.1
145.06119	4.2
146.04524	9.9
150.03149	3.4
151.03903	11.0
152.04674	4.4
153.06627	4.3
158.05978	1.8
165.05472	4.6
166.09731	5.4
167.03293	1.8
167.04572	5.7
167.08177	7.9
178.02655	2.3
179.04556	24.9
181.06081	4.6
184.10902	3.0
185.05574	2.7
191.03575	2.0
191.05545	4.8
193.04971	5.1
194.10051	7.4
196.03728	8.8
197.05693	3.3
203.29004	1.7
206.11528	2.5
210.08759	24.5
211.06058	3.8
222.09529	14.2
228.09877	3.9
229.69580	2.8
240.10599	17.8
243.06851	1.7
254.07803	49.8
255.08086	3.4
264.14172	2.5
272.08881	88.1
273.09302	4.1
284.13458	2.0
305.60416	1.8
308.13354	7.5
326.14255	26.3
327.14734	3.9
429.13715	5.1
464.76068	2.1
470.19650	21.3
471.19968	2.9
581.22791	14.8
582.23291	3.5
599.23993	90.9
600.24347	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	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.2
58.02849	16.6
59.01253	2.9
59.03185	0.4
61.98713	1.2
66.03357	1.7
69.03321	0.5
70.02875	0.7
71.01273	1.4
72.00766	1.3
72.97400	0.9
74.00557	1.3
74.02345	31.0
80.03687	0.5
81.04455	2.4
82.02857	5.2
83.01266	0.9
83.02354	0.4
83.04902	0.4
83.95573	0.4
84.04414	1.4
85.03947	1.1
86.02345	12.0
86.05975	2.3
86.98965	0.9
87.00709	0.6
87.05509	5.9
88.03900	1.0
93.04456	0.4
94.02831	0.5
95.02373	0.7
96.04451	1.3
97.03956	3.4
98.20539	1.3
99.05518	27.0
100.00273	3.0
101.00562	0.6
101.07077	4.8
102.05489	5.2
105.99633	0.5
107.06018	2.1
108.04448	0.5
109.03960	6.5
109.07600	1.3
110.02409	0.5
111.03136	0.6
111.05517	2.3
112.03915	3.5
113.01952	0.5
113.03460	1.6
113.07057	1.0
117.72105	0.4
120.01145	0.8
121.04010	0.9
123.04434	0.6
123.05541	2.6
124.03931	1.4
124.07597	1.2
125.02403	3.3
125.03420	3.9
126.01883	0.6
126.04311	0.5
127.05019	4.7
128.03427	76.4
129.03783	2.0
131.36809	0.5
135.05533	8.7
135.08195	0.5
137.02367	3.6
137.07118	1.9
137.09616	0.4
138.02660	0.6
139.05020	0.5
141.06586	3.1
143.04524	100.0
144.04927	2.3
145.06108	4.6
146.04524	9.9
147.04503	0.4
149.07123	1.3
151.05045	0.6
153.06596	5.7
153.09143	1.0
153.12701	0.8
155.08177	1.3
164.08153	0.8
165.01857	4.2
166.02228	1.7
166.09764	4.5
167.03371	1.1
167.04567	4.1
167.08200	5.6
169.06088	1.9
170.03210	2.8
171.04013	2.1
171.10185	6.9
174.03062	0.7
175.01700	0.6
175.03644	0.6
179.04550	24.8
180.04939	0.6
181.06099	2.2
184.09241	1.0
184.10812	1.2
185.04089	0.8
185.05582	3.7
187.07898	0.9
189.09193	0.5
192.07726	3.2
193.06195	0.5
197.05592	4.7
199.07411	0.8
209.11803	4.7
210.08775	23.7
211.09143	1.1
215.10727	0.6
215.12695	0.6
216.11171	0.8
216.13245	0.6
228.09840	3.4
236.06743	1.0
247.20602	1.2
254.07802	56.8
255.08182	3.0
272.08875	96.1
273.09167	5.3
286.04953	1.0
291.19614	3.9
293.21213	0.5
304.06085	1.4
325.18469	6.7
326.18903	0.5
339.16367	0.5
412.22205	0.6
413.52997	0.6
469.23737	5.3
476.66058	0.5
580.26801	6.1
581.27820	1.4
598.27960	35.8
599.28107	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	597.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.1
61.98709	2.3
67.01749	0.6
71.01260	5.7
71.58227	1.3
72.99200	0.9
73.02821	2.0
75.00751	6.1
78.25176	0.7
81.03333	14.8
83.01255	1.6
83.04900	43.2
84.05262	1.4
85.02837	2.0
87.00773	0.8
89.02323	3.6
96.95911	2.2
99.00779	1.4
100.07561	6.8
101.02291	3.2
108.04424	0.8
109.02864	1.4
111.53243	0.7
113.02338	2.1
117.03302	0.9
119.03440	0.8
123.04485	0.8
125.02350	0.9
126.05540	0.9
134.03635	9.7
135.04462	0.9
137.02388	1.2
145.04955	0.6
149.02394	0.6
149.05986	1.1
150.03181	0.7
151.03952	1.1
152.00951	0.6
160.01602	3.8
161.02396	0.7
161.04530	1.4
165.01907	1.0
175.03949	5.8
177.01859	1.5
189.01897	1.7
191.05568	2.0
193.05002	11.7
199.13309	5.0
199.18069	6.8
203.03386	0.7
207.15004	0.7
225.16066	9.9
226.16455	0.8
243.17114	24.3
244.17398	1.0
269.15216	2.2
303.22009	1.0
309.21857	0.7
353.20798	8.7
397.13519	1.5
415.14609	0.7
435.10745	1.0
451.33020	2.3
465.27271	1.4
469.33926	15.2
470.34219	1.8
558.34271	0.6
579.37866	2.8
597.38885	100.0
598.39227	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	597.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	14.6
58.02843	7.8
59.01255	14.2
61.98693	3.5
66.75411	1.6
69.03314	3.0
69.28486	3.6
69.28889	16.3
70.02843	1.8
71.01268	4.7
73.02819	2.0
74.00566	2.1
74.02340	19.1
77.03828	2.3
81.03326	6.8
82.02845	2.7
83.01266	15.3
85.02821	3.6
86.02331	5.2
87.00826	1.5
93.03323	4.8
95.04911	1.7
96.95871	1.9
97.02831	7.9
97.03960	2.8
99.04401	4.2
99.05524	13.9
100.00288	1.6
101.07085	2.8
102.05486	4.2
107.06032	2.6
109.02834	6.4
109.03905	2.8
112.03873	2.6
113.01966	5.0
119.04912	1.6
121.02806	8.9
123.04404	5.6
123.05617	1.6
125.02340	96.6
125.09566	2.1
126.02685	3.5
127.05026	2.0
127.11148	2.2
128.03426	44.8
135.04459	2.8
135.05553	4.7
137.02347	100.0
138.02696	5.1
139.03912	4.3
143.04520	64.9
145.02870	3.6
146.03593	35.7
146.04521	4.2
147.04480	14.0
148.05165	2.3
149.02284	3.0
151.03918	5.0
153.06606	4.3
159.04376	6.3
160.05180	4.1
161.02370	3.1
161.05940	2.4
163.04056	1.8
164.01076	7.9
165.01851	91.2
166.02219	4.8
166.09755	3.7
167.03406	41.5
167.04565	2.2
167.08180	4.4
168.03685	1.7
171.10181	5.1
172.05251	8.1
173.02319	2.0
173.05971	2.7
174.03140	28.9
175.03876	5.1
178.02667	1.7
179.03210	3.7
179.04662	16.7
181.06099	2.3
185.05730	3.5
186.06795	2.3
187.03996	3.1
189.09129	1.7
197.05829	3.4
197.11649	2.7
199.04019	2.6
199.07565	2.9
199.09619	3.4
200.04590	2.0
201.05481	3.4
201.11292	3.2
204.04251	4.9
210.08774	16.3
211.03941	3.0
213.09140	9.9
213.11293	5.7
214.09807	2.0
215.10715	28.0
215.12830	16.1
216.13190	2.0
225.05479	8.1
225.09218	1.8
226.06273	5.5
227.10713	3.5
228.03957	2.2
229.12218	4.0
241.08665	2.5
241.12276	6.5
243.10278	12.7
244.07402	2.1
254.07773	38.1
257.11795	4.3
268.07373	13.1
272.08881	57.7
281.11908	2.1
288.06384	1.8
291.19629	2.3
295.13315	2.5
312.06354	2.2
325.18454	4.5
337.14514	5.7
381.13449	26.0
411.21683	2.3
429.22742	11.7
441.22955	15.4
453.22684	3.5
459.24014	15.5
460.24350	2.0
469.24106	2.7
535.26855	2.8
553.28046	4.9
579.26477	12.2
580.26996	5.7
597.27087	99.6
598.27765	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38007	0.6
57.03323	1.6
59.01249	12.2
61.98714	1.3
69.65511	3.0
69.65926	1.0
71.01257	5.1
71.04949	0.7
73.02821	4.2
75.00751	1.6
81.03357	0.9
83.01260	4.4
83.04888	0.7
85.02814	1.7
87.00771	1.4
89.02303	1.0
93.03317	1.7
95.01293	0.7
95.04897	1.3
96.95879	1.5
97.02842	1.0
98.19772	0.7
101.02337	2.5
103.51258	0.6
107.04888	0.9
108.02032	0.8
109.02840	2.0
109.06477	0.6
113.02329	1.2
119.08578	0.9
121.06499	0.6
122.03647	0.7
123.00797	1.1
123.04411	14.9
124.01575	3.5
125.02350	1.4
125.05967	1.0
125.54123	0.7
135.04407	3.5
135.08054	1.2
136.01598	0.9
137.02339	46.8
137.09595	3.5
138.02666	1.0
139.03947	3.1
149.02383	0.8
149.05962	1.5
150.03131	2.5
150.31821	0.6
151.03912	40.5
152.01071	1.3
152.04707	42.8
153.05072	1.7
161.09621	2.7
163.07542	4.4
165.05447	1.0
167.03418	1.0
167.07062	6.6
177.01859	2.7
178.02609	7.0
179.03230	1.4
179.10712	2.1
181.08635	2.8
191.05530	1.6
193.04999	12.0
195.02942	4.6
195.10130	0.7
196.03703	100.0
197.04042	4.7
197.11737	2.6
203.10713	0.9
205.08595	0.7
211.06061	32.6
212.06412	1.7
223.09695	2.5
241.10841	2.1
265.10651	1.3
307.11856	0.8
325.12781	1.0
340.08087	1.0
358.09119	1.5
373.11496	4.5
375.27432	1.8
385.15097	4.2
431.78195	0.6
522.17529	1.1
535.21899	6.0
537.19946	9.0
538.20013	1.3
579.20856	7.4
580.21411	0.9
582.19446	1.2
596.32922	0.7
597.21918	92.3
598.22150	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	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96009	2.6
54.57895	2.5
59.01252	13.9
65.30901	2.6
69.81784	3.3
71.01259	5.2
71.38227	6.0
73.02810	3.4
81.03332	8.2
83.01262	8.6
93.03339	7.8
93.15270	2.9
95.01294	5.8
97.02815	7.6
99.00777	3.3
99.04393	4.1
101.02315	6.9
109.02845	10.0
111.04419	4.3
113.02364	4.9
119.04906	7.3
121.02815	3.2
123.04424	16.1
125.02340	13.7
135.04408	5.8
137.02328	7.8
137.06006	8.4
139.03902	11.6
147.04436	4.1
151.03938	5.4
160.03061	2.8
163.03793	3.8
163.07411	3.1
164.04675	4.1
165.05478	7.1
167.03418	36.6
179.03421	10.0
179.07062	4.5
183.65488	3.4
189.05486	6.9
193.04979	6.3
193.95189	2.8
197.04475	5.9
209.04541	24.5
221.04514	6.4
233.04527	4.9
239.05539	13.7
251.05602	5.1
252.11513	3.4
273.07550	5.1
285.07578	3.3
315.08728	17.2
327.08505	4.8
336.86508	3.0
341.10184	4.4
345.09702	5.9
357.09796	100.0
358.10138	11.4
369.09650	4.6
370.92599	2.8
387.10858	77.9
388.11276	9.6
417.11859	23.1
459.12921	11.3
477.14026	15.9
489.13837	8.6
507.14532	3.6
597.18433	5.3
597.35217	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	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03319	1.5
59.01259	2.9
65.03828	0.6
67.01767	0.8
68.99682	2.1
69.03332	1.8
71.01259	3.1
71.38140	1.2
73.02831	1.4
75.00765	0.9
78.17642	0.7
79.48733	0.6
80.02550	1.0
81.03332	12.3
83.01250	10.5
83.04904	1.0
85.02828	2.6
93.03342	8.8
95.01266	3.1
95.04904	7.6
97.02831	8.3
99.00744	0.9
99.04395	4.5
105.03378	0.7
107.04894	3.6
108.02063	0.9
109.02849	4.6
109.06474	0.9
111.00780	0.7
111.04409	4.0
113.02350	2.6
118.19174	0.6
119.04919	13.5
121.02848	5.8
121.06480	2.1
121.53532	0.7
122.03639	1.0
123.00768	1.4
123.04414	25.5
124.04739	0.7
125.02341	16.9
125.05966	0.8
126.02670	0.7
131.91948	0.6
133.02852	1.1
133.06528	1.4
135.00414	0.6
135.04431	7.5
137.02359	9.5
137.05989	11.1
138.03186	0.9
139.03914	15.6
141.05507	0.7
145.06396	0.9
147.04440	6.0
149.02325	2.7
149.05995	2.8
150.03178	0.8
151.03940	6.7
151.07518	0.6
153.05482	2.1
155.03424	1.6
159.04550	0.8
161.02441	0.7
161.05969	2.5
163.00368	0.8
163.03905	5.6
163.07549	2.3
164.04666	1.7
165.01878	3.8
165.05476	10.3
166.02638	2.5
167.03419	45.3
168.03830	1.2
173.06039	1.1
175.03889	1.3
175.57512	0.6
177.01869	1.7
177.05521	3.8
178.02708	0.6
179.03424	11.5
179.07045	2.2
180.03973	1.9
181.04999	4.2
187.07585	0.6
189.05504	13.2
191.03445	3.9
192.04144	0.9
193.05022	5.8
197.04475	6.1
203.03430	0.9
204.04132	0.8
205.05161	1.4
207.02960	1.4
207.06575	2.1
209.04500	37.7
210.04832	1.8
217.04971	0.9
219.02927	2.2
219.06584	1.0
220.03714	1.0
221.04489	6.9
223.06065	2.1
229.08694	1.0
231.06657	1.3
233.04506	1.9
235.06139	1.8
237.07703	0.8
239.05582	14.5
247.06061	1.1
251.05598	6.6
263.05591	2.1
269.06436	2.9
271.09665	0.9
273.07687	4.6
275.05582	0.8
281.06757	1.2
285.07697	2.7
285.10794	0.7
293.06467	0.9
297.07834	0.6
303.08728	0.9
315.08737	21.2
316.08984	1.7
327.08701	10.0
328.09265	1.6
329.10229	0.7
341.10300	2.2
345.09750	7.5
346.10342	0.6
354.07654	1.0
357.09784	100.0
358.10214	9.3
367.08331	0.6
369.09766	5.0
371.11188	1.0
387.10858	77.9
388.11203	8.6
399.10962	4.0
400.11047	0.7
408.49448	0.6
417.11911	22.8
418.12244	2.4
429.11737	1.6
441.11719	1.5
447.12659	1.1
459.12927	9.5
460.13544	1.2
471.12808	0.7
477.13959	13.3
478.14108	1.7
489.14038	7.1
507.14963	2.3
579.17499	1.0
597.18372	6.1
598.18732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.8
57.16086	0.8
59.01257	9.1
69.03321	1.4
69.59267	7.1
71.01269	6.6
73.02813	2.8
75.00739	2.7
81.03341	4.3
83.01259	4.9
85.02823	3.3
89.02305	2.7
93.03348	5.1
95.01295	2.2
95.04898	3.8
96.95891	2.0
97.02825	4.7
99.00772	2.9
99.04390	1.6
101.02347	3.7
107.04925	1.8
107.81331	1.2
109.02839	3.1
111.04417	2.0
113.02348	4.6
114.74821	0.9
119.04898	4.3
121.02840	3.0
123.04396	7.7
124.01556	1.2
125.02355	15.7
135.04398	4.9
137.02342	8.6
137.05978	4.2
138.05414	1.0
139.03922	7.9
141.05493	1.1
147.04442	2.3
149.02338	1.5
149.06033	1.6
150.03133	1.2
151.03932	4.6
153.05470	2.2
155.03372	1.1
163.03911	3.1
163.07587	1.2
165.01868	2.4
165.05484	5.2
166.02547	1.4
167.03410	25.7
177.01833	1.6
177.05475	2.9
178.02673	1.1
179.03419	10.5
179.05046	1.1
179.05597	1.1
179.07077	1.5
180.04225	1.0
181.04930	2.8
189.05444	4.6
191.03479	2.0
191.05505	1.4
192.04179	0.9
193.04944	4.7
194.05655	1.4
195.06461	2.0
197.04530	8.4
209.04478	11.5
219.02864	1.8
221.04451	5.9
229.08775	1.1
231.06485	1.3
239.05580	14.1
247.09724	1.3
251.05560	3.4
263.05502	1.5
269.06650	4.3
273.07727	6.3
281.06592	2.1
285.07700	3.0
309.03867	1.3
315.08786	17.2
316.08957	1.9
327.08798	9.6
339.08835	1.2
341.10492	1.4
345.09854	14.1
357.09772	17.9
358.10028	1.4
369.09763	3.0
371.11313	1.6
387.10837	100.0
388.11176	9.7
399.10666	6.2
417.11902	50.7
418.12231	5.0
429.11865	1.9
459.13058	4.7
471.12930	2.3
477.14127	9.2
478.13977	1.5
489.14001	9.3
490.14407	1.3
507.15030	6.9
579.16882	1.5
582.20148	1.8
597.17407	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	596.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
57.03328	2.4
59.01252	100.0
60.01583	1.3
61.98707	1.7
69.03327	0.9
69.48708	5.0
71.01254	23.3
72.72049	0.5
72.99172	1.6
73.02819	6.8
75.00733	0.6
81.03355	0.5
83.01258	6.7
84.02095	0.6
85.02824	15.2
87.00767	1.3
89.02333	1.6
93.01335	8.3
95.01282	2.3
96.95895	1.5
97.02841	3.6
99.00759	4.4
101.02319	11.9
107.68654	0.5
111.02406	25.9
112.01553	1.2
112.02789	0.7
112.65897	0.5
113.02055	9.9
114.02388	0.6
125.02397	3.2
143.03400	2.2
147.08034	0.9
149.05946	0.6
149.09634	1.5
150.03160	0.9
154.03029	1.3
155.01439	1.3
156.71170	0.6
159.03001	0.7
161.04457	6.3
176.10776	1.1
179.76300	0.6
194.84944	0.7
195.90602	0.7
205.03491	0.7
218.11810	0.9
219.10118	0.6
248.12988	1.8
278.13968	6.3
295.09830	0.6
302.14001	0.6
320.15247	1.1
324.32245	0.7
344.15146	0.6
350.16110	8.4
351.14734	2.7
360.16299	2.1
364.14117	0.7
366.15530	1.3
368.17456	1.1
369.15460	1.5
372.16684	0.8
374.16095	2.2
378.19095	1.0
379.17825	0.8
390.17215	0.8
392.16943	1.4
394.14923	1.2
422.18375	1.6
440.19415	2.6
457.15881	1.1
458.16013	0.9
486.19186	4.4
504.20374	3.2
505.21048	0.8
516.20380	17.7
517.20905	2.5
534.21362	10.4
535.22119	1.5
536.21027	6.0
537.21265	1.4
546.21436	3.3
554.22375	1.9
576.22491	17.2
576.31232	0.9
577.23291	2.7
596.32007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01262	1.0
61.78788	0.7
64.80684	0.7
70.27764	3.1
78.95776	68.4
96.96839	10.8
107.98808	0.8
122.38107	0.8
131.91832	0.8
152.99493	100.0
153.99783	1.7
169.12801	0.7
171.00563	3.1
207.04324	0.7
218.69246	0.9
223.00069	10.4
241.01155	28.7
242.01440	1.0
259.02130	1.3
269.01874	0.7
275.06027	1.0
277.21848	0.9
279.23291	63.5
280.23605	7.6
313.46234	0.8
315.04855	18.2
316.05234	0.8
333.06122	1.0
339.04492	0.7
435.28595	0.8
595.28900	69.2
596.29266	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	595.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14971	2.0
57.03333	4.3
59.01252	100.0
63.97307	1.7
70.54935	7.2
71.01257	41.5
72.99184	4.6
73.02822	11.4
75.00731	2.6
83.01267	5.5
84.41632	1.7
85.02817	16.9
89.02319	12.5
95.01279	2.5
96.95916	8.1
97.02891	2.2
99.00768	7.0
101.02325	21.1
102.45180	1.9
109.02782	4.5
113.02325	13.0
119.03381	3.4
119.04927	3.6
121.02848	7.6
123.04395	3.5
125.02338	10.7
127.79167	1.7
128.59297	1.9
136.24278	1.8
137.02388	2.5
143.03381	2.7
150.03130	1.9
151.03905	4.4
161.04494	10.9
165.05461	2.2
175.64095	2.0
177.05447	2.8
179.05573	2.1
185.01065	1.8
191.05632	4.1
209.04608	2.4
313.07239	3.4
319.68130	2.0
373.22354	5.4
385.09268	5.0
415.10138	2.2
505.13440	3.6
535.27551	73.9
536.28076	11.8
595.16467	3.1
610.02277	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	595.279
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
54.82940	0.6
58.66074	0.6
59.01247	3.2
61.98701	0.9
63.96105	1.3
69.03317	0.7
71.01257	7.1
73.02826	1.8
76.74876	0.7
78.98457	5.2
79.95605	10.5
80.96394	66.3
81.03337	0.8
85.02834	2.8
87.00751	3.2
94.97965	18.0
96.95854	0.9
97.02830	2.6
101.02323	3.9
106.97944	3.4
109.02888	0.7
113.02312	1.1
122.97478	5.5
125.02319	3.7
127.03854	0.8
134.97502	4.1
135.04433	1.0
136.99069	1.9
148.89943	0.7
148.99043	6.1
152.98544	7.4
164.98550	10.5
170.23267	0.7
182.99634	2.0
186.20001	0.7
188.98534	0.7
195.13965	1.1
206.99600	2.9
209.11786	0.7
225.00688	19.8
243.01770	1.4
277.21594	0.9
295.22845	0.9
299.04449	2.3
334.82745	0.8
402.76321	0.8
415.94739	0.7
551.26782	1.6
595.27930	100.0
596.28278	16.3
596.37262	1.4
606.11853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.8
62.96277	0.6
69.88176	3.6
70.74166	0.7
78.95778	89.1
93.04008	0.5
96.96841	18.8
98.10059	0.5
98.19862	0.7
101.70660	0.5
105.22938	0.6
129.99316	0.6
134.98418	0.7
150.97946	0.8
152.99496	73.5
171.00558	1.1
177.15794	0.6
202.65858	0.6
209.11780	2.6
212.15611	0.6
223.00133	3.3
241.01161	42.7
242.01399	1.0
259.02280	1.0
279.23291	81.4
280.23691	7.5
315.04904	12.8
415.22571	7.4
416.22943	0.6
595.28882	100.0
596.29193	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	595.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36350	1.8
59.01255	52.2
61.98708	6.3
69.39588	15.5
71.01263	14.4
73.02827	5.9
79.39601	2.2
85.02829	8.2
87.00768	2.8
87.04395	100.0
88.04740	2.1
89.02320	5.9
93.03343	3.4
96.95899	3.5
99.00725	3.3
101.02316	5.4
125.02382	3.0
145.12375	1.9
161.04445	2.4
164.00905	2.2
173.04495	2.3
191.05588	3.6
193.08591	3.5
194.97549	9.9
199.29779	2.2
236.10341	1.9
377.21451	4.1
484.13995	2.0
509.26031	16.3
510.26196	2.6
541.26306	2.2
551.27142	37.2
552.27234	2.6
595.23041	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	595.1671
Annotation	Naringenin 5,7-di-O-glucoside
Peak:m/z	Relative Intensity
52.65519	1.2
54.81790	1.1
55.01745	1.1
57.03326	1.3
58.00451	1.8
58.05655	1.2
59.01255	45.4
65.00184	2.4
69.77383	1.8
69.77791	7.5
71.00887	2.2
71.01253	24.6
72.99186	19.5
73.02792	2.0
75.00751	1.6
83.01263	4.5
85.02822	7.8
87.00731	1.7
89.02324	21.0
91.14698	1.2
93.03339	15.4
95.01242	3.8
96.95888	3.2
97.02770	1.9
99.00776	3.0
101.02328	12.3
103.01767	5.3
109.02843	2.3
113.02328	7.8
117.03356	1.5
119.03393	7.8
119.04919	82.6
120.05240	2.8
121.02829	4.0
125.02352	3.8
130.32619	1.2
131.00333	2.1
131.01285	27.3
132.56688	1.2
134.03767	1.4
135.04410	2.0
136.01550	2.0
137.02325	3.5
143.04921	2.1
145.02843	4.4
149.02354	4.5
150.03093	3.1
151.00272	5.7
161.02356	2.7
161.04480	2.2
163.00258	3.5
164.01039	2.6
165.01923	2.6
165.05478	1.7
166.02667	2.3
175.00299	95.3
176.00632	3.8
177.01869	2.6
178.02533	1.7
179.05516	3.5
181.92334	1.2
187.03944	2.1
189.01907	7.7
191.03458	1.4
191.05576	3.2
192.99921	1.5
193.01398	12.2
195.06561	1.9
201.01765	2.9
205.01312	3.1
217.01384	4.2
223.02393	1.3
243.68445	1.3
271.06073	6.4
283.06171	3.3
284.06900	1.8
295.06131	100.0
296.06488	8.7
297.07767	1.5
312.06509	2.1
313.07181	48.0
314.07498	3.9
325.07031	6.6
337.07089	5.9
343.08142	10.3
343.12051	3.5
355.08093	2.0
391.13748	1.9
397.09091	3.3
415.10181	17.0
416.10760	2.0
433.11194	3.3
475.05826	2.7
475.12448	45.5
476.12659	7.4
595.16626	53.5
595.29657	7.7
596.17139	8.0
596.26605	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	593.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17439	1.4
54.09763	1.3
55.01759	2.4
57.03320	4.8
59.01255	100.0
60.99165	2.1
63.26193	1.4
65.20062	1.6
66.42915	1.6
71.01257	33.7
72.99191	4.7
73.02824	17.2
75.00748	2.6
80.76381	1.4
83.01265	6.8
83.01736	1.5
85.02827	12.2
87.00768	6.2
87.04411	1.8
89.02322	12.3
93.03347	3.6
95.01233	1.5
96.95914	6.8
99.00748	9.3
101.02328	18.3
109.02840	4.3
111.00792	2.4
113.02341	16.2
119.03399	2.4
119.04948	2.6
121.02864	2.1
123.04498	2.3
125.02369	6.7
135.04442	7.5
137.02400	6.0
149.02322	2.1
150.03229	2.9
151.00316	1.9
151.03944	7.0
152.01076	1.8
153.01852	1.9
157.08626	2.0
161.02391	2.3
161.04507	6.8
165.01836	1.8
165.05511	2.9
171.10233	3.2
177.01913	3.4
179.03526	2.8
185.11890	2.3
187.09666	23.7
191.05623	3.5
196.03757	1.8
215.12914	5.0
227.03421	3.1
229.72652	1.8
241.05008	15.7
241.07198	1.7
242.05678	3.8
257.08197	28.5
258.08511	2.9
281.40738	1.5
293.04681	4.7
349.61798	1.8
353.23828	1.6
357.48996	1.6
371.15036	3.5
371.24591	7.1
375.23792	2.0
388.15991	2.3
389.16217	6.2
389.25464	47.9
390.25806	3.2
473.27759	2.3
505.27014	2.3
507.28229	6.2
533.29938	4.9
549.29279	20.2
550.28973	3.0
551.17511	3.4
551.31531	2.8
561.03290	2.0
578.08795	1.5
593.19373	4.7
593.32013	58.8
594.31964	6.4
595.11810	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.167
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.14890	1.2
65.00198	1.6
68.99695	1.4
69.66492	9.1
71.01275	1.6
79.01775	1.4
81.03326	1.8
83.01247	3.6
85.02805	1.6
93.03333	5.5
95.01264	2.4
97.02833	2.7
98.20521	2.8
107.01281	6.2
107.04926	1.9
109.02853	4.2
111.04391	2.4
119.04919	41.8
120.05199	1.9
121.02837	4.9
123.00768	1.7
123.04420	3.8
125.02332	10.3
133.02850	1.3
134.84280	1.7
135.04402	3.5
137.02341	6.2
139.03909	7.3
143.04898	5.9
145.02913	7.7
145.03886	1.3
147.04430	3.1
149.02368	5.9
150.03065	1.7
151.00262	5.6
151.03978	1.8
161.02330	1.7
161.06029	2.9
163.00314	4.1
163.03888	3.7
165.01831	6.2
165.05515	2.0
167.03401	11.8
177.01904	5.9
179.03418	3.1
185.06015	2.0
187.03952	7.7
189.05518	1.4
191.03430	3.8
193.01357	10.8
193.05064	1.3
197.04474	4.3
199.07558	3.2
205.01390	8.4
207.02945	4.0
209.04501	4.7
219.02968	4.1
221.04420	2.5
226.06526	1.4
227.07176	3.1
233.04523	1.9
235.02452	16.5
239.05389	2.4
245.04507	1.7
247.02504	2.4
249.04070	3.5
261.03952	2.2
265.03558	5.7
265.08582	1.8
271.06061	4.6
283.06247	2.3
311.09070	2.3
313.07166	19.8
314.07327	2.6
325.07123	7.6
339.08536	1.6
343.08206	8.5
355.08218	100.0
356.08542	9.3
367.08243	5.7
380.09476	1.8
385.09290	81.0
386.09564	8.9
397.09250	6.9
415.10297	24.1
416.10736	3.5
427.10562	3.0
439.10330	1.8
457.11365	13.2
458.11243	2.3
475.12463	44.6
476.12659	5.1
487.12485	5.6
488.13095	1.5
505.13504	10.3
506.13580	1.8
577.15680	3.9
595.16675	78.2
596.16864	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46054	0.7
59.01254	1.3
69.86958	3.6
69.87369	1.4
78.28741	0.7
78.95779	76.4
92.76416	0.8
95.08261	0.8
96.96844	12.1
104.20004	0.7
150.97879	0.8
152.99496	100.0
153.99879	1.8
171.00558	2.2
223.00084	9.9
241.01163	27.1
242.01474	1.0
259.02231	1.2
259.20728	1.1
277.21732	43.2
278.22098	4.1
315.04886	17.9
316.05219	1.3
318.13501	0.8
593.27344	66.6
594.27490	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39775	0.8
57.59620	0.9
57.97839	0.9
59.01254	2.2
59.52904	0.8
60.81258	0.8
68.02776	0.8
70.91629	2.8
78.95779	87.9
79.51122	1.0
96.96841	21.0
107.82227	0.9
122.95243	0.8
124.73514	0.8
150.97894	1.3
152.99498	73.4
158.69173	1.0
173.17906	0.9
183.16743	1.0
208.35815	0.9
223.00104	3.0
241.01160	40.7
277.21735	61.4
278.22086	5.1
315.04889	14.8
333.05786	1.1
348.18207	1.0
402.46017	1.2
413.20941	10.3
593.27350	100.0
594.27618	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2634
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
55.80594	0.5
56.80035	0.5
59.01252	3.6
61.98693	1.9
63.96121	1.2
68.35425	0.6
69.03326	1.1
71.01247	7.1
71.08327	0.9
71.08642	0.8
73.02818	2.2
78.98471	5.2
79.95609	33.4
80.01340	0.5
80.96392	57.7
81.03344	0.9
83.01228	0.6
85.02798	2.8
87.00761	2.4
94.97968	13.4
96.95882	1.3
97.02833	1.0
101.02333	2.6
106.97953	2.7
113.02352	0.6
122.97479	5.5
123.00751	2.0
124.01559	1.5
125.02325	2.5
127.03917	1.2
134.97464	3.9
135.04376	0.6
136.99052	1.6
137.02341	1.0
137.31978	0.5
148.99060	5.5
151.03889	0.6
152.98557	7.2
153.01804	0.7
161.02371	0.7
161.04422	0.8
164.98537	9.9
179.00117	0.9
182.99644	1.9
195.02934	0.9
195.13811	0.8
197.01204	0.6
201.76118	0.6
206.99660	3.5
225.00684	19.8
226.00993	1.1
243.01659	2.1
265.60919	0.6
293.04404	0.9
293.21365	1.1
298.56015	0.6
299.04306	3.1
315.04068	1.2
371.06375	2.0
374.41171	0.6
385.07761	0.9
399.09500	2.0
402.30914	0.6
403.30447	0.7
413.11435	1.0
427.12305	0.6
455.15869	2.2
495.19177	2.1
523.18573	1.2
524.19177	0.9
593.26306	100.0
594.26581	13.6
594.35962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12644	1.2
55.01737	1.8
57.03330	2.5
59.01251	40.7
61.98697	4.9
71.01257	40.1
71.59262	1.7
71.59636	1.5
72.99180	2.8
72.99606	1.3
73.02816	16.2
73.03191	1.6
75.00744	2.5
78.21361	1.4
80.02543	3.5
81.03342	5.8
83.01256	4.1
85.02835	12.6
87.00758	2.4
89.02316	12.6
93.03350	10.8
95.01247	2.3
96.95901	3.2
97.02830	2.8
99.00765	18.7
101.02319	20.9
102.02684	1.6
104.57430	1.3
106.04132	21.1
107.04924	4.1
108.02026	2.2
109.02790	1.7
113.02336	19.8
119.04912	5.9
125.02350	4.0
131.03416	2.6
137.02248	2.0
143.03369	2.4
149.05992	100.0
149.09608	6.2
150.06320	3.9
151.00288	5.0
151.03905	1.8
159.02895	2.9
161.04469	23.3
162.03070	2.1
162.04654	1.5
163.03917	3.3
166.02650	1.3
167.10536	1.4
173.04518	1.5
174.51312	1.7
174.91690	1.6
175.11206	45.0
175.41151	1.6
191.05548	6.5
197.73053	1.3
227.14609	1.5
242.05843	13.1
243.06325	2.3
257.08160	27.2
258.08542	2.0
259.27515	1.9
281.15485	43.0
282.15753	3.7
293.04532	2.7
293.08588	2.2
296.27835	1.4
299.16486	3.4
311.11362	7.0
324.40515	1.4
443.15588	92.9
444.15927	8.6
533.33203	5.1
549.32458	4.9
551.17505	3.3
553.72461	1.5
575.24896	32.9
576.25153	5.3
593.18195	2.7
593.29590	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	593.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99839	0.5
55.10411	0.5
57.03325	0.8
59.01256	5.8
63.76368	0.5
67.02757	0.5
70.81802	0.4
71.01254	2.8
71.58850	0.6
71.59242	0.6
73.02829	1.5
78.95775	0.7
83.01280	0.6
85.02819	2.1
89.02312	1.5
93.03330	1.0
96.95901	9.8
96.96853	1.8
98.02380	0.6
99.00780	0.7
101.02332	2.3
109.02858	0.7
113.02343	1.5
117.03352	0.6
119.04910	2.7
121.02866	3.3
122.03553	0.7
123.04395	0.9
125.02286	0.9
128.03444	0.9
135.04407	1.0
137.02332	1.6
139.00317	0.7
143.04552	0.6
145.02814	1.6
147.04408	2.4
150.03156	0.8
151.03883	1.4
152.04654	0.5
153.01828	1.1
161.02263	0.6
161.04437	0.6
162.03044	0.5
163.03926	6.0
163.25406	0.5
164.04698	0.6
165.01830	1.3
165.05447	1.0
167.03442	0.6
169.06595	0.5
173.02315	0.7
173.05885	0.6
174.03136	3.6
175.03928	17.3
175.05438	0.8
176.01115	0.5
176.04666	3.9
177.01874	0.6
177.05475	2.1
178.02620	0.6
179.03435	1.1
179.07066	0.8
180.04201	11.3
181.04781	0.9
188.04765	3.2
189.05518	6.7
190.06299	22.5
191.03409	1.6
191.07062	14.4
192.04250	0.8
192.07397	0.7
193.04988	10.6
194.05772	6.8
203.07076	1.6
205.08659	17.9
206.09106	1.1
207.06596	5.4
208.07365	11.1
209.07736	0.7
213.09105	1.0
222.08997	0.6
223.09659	1.0
236.89853	0.5
244.00552	0.5
285.03952	0.7
293.04517	1.0
297.07684	0.6
306.07669	0.5
314.11383	0.9
344.12823	3.3
359.15002	100.0
360.15344	10.2
371.24387	0.9
373.12903	1.2
387.18359	0.6
388.15308	0.9
389.16428	2.5
389.25504	0.7
533.29688	1.4
551.30499	0.6
560.85065	0.5
593.22235	1.6
593.31464	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	593.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.1
57.03318	3.2
58.00463	2.3
59.01254	100.0
60.01596	1.1
69.03340	1.7
69.27579	10.0
71.01258	56.0
72.01561	1.0
72.99166	4.6
73.02823	49.3
75.00739	2.4
77.15218	0.8
78.46355	0.8
79.95600	0.9
81.31519	0.7
83.01261	16.9
83.04928	0.9
85.02826	14.8
86.03134	1.0
87.00755	5.4
87.04401	1.0
88.98675	3.0
89.01817	1.6
89.02325	18.5
91.05384	1.1
93.03347	1.8
95.01257	3.9
96.95902	14.0
96.96848	1.3
97.02840	2.1
97.06509	1.2
98.02391	1.4
99.00742	4.3
101.02329	45.7
102.02684	1.5
102.15482	0.8
108.02037	1.4
109.02845	4.5
109.56407	0.9
111.00787	1.2
113.02341	28.4
117.03320	1.9
119.03378	7.1
119.04922	1.8
121.02843	4.5
123.04413	2.7
125.02338	8.1
127.03870	1.0
128.03444	1.3
131.03397	4.4
133.02841	1.2
135.04427	8.0
137.02347	14.3
143.03426	5.9
143.04471	1.5
145.02913	1.0
149.02351	1.0
149.04494	3.7
149.05968	1.0
150.03087	1.4
151.03928	6.3
152.04628	0.9
153.01816	1.2
153.05403	1.8
158.03636	1.3
159.04405	2.1
161.02409	2.1
161.04469	12.4
163.03903	2.1
164.04680	2.0
165.01837	0.9
165.05534	1.3
166.02625	0.9
171.04535	1.0
173.06003	2.9
174.03116	1.3
175.03929	9.3
176.04558	2.3
177.01900	1.6
177.05493	2.8
179.03337	0.9
179.05559	2.3
179.06972	1.6
180.04216	1.2
181.04994	1.4
185.11786	0.9
187.03978	6.3
189.05492	2.0
190.06296	5.8
191.05472	1.4
191.07022	3.7
193.04953	2.4
196.03737	0.9
201.05602	1.1
202.06306	2.1
204.04274	1.2
205.04997	7.0
205.08606	3.4
208.07076	1.0
215.12801	1.9
217.08585	1.2
219.06558	2.6
220.07391	8.0
235.09753	7.9
251.09227	1.1
253.10915	1.5
263.34433	1.1
268.07336	1.5
281.04639	1.3
283.06131	2.2
283.09558	1.2
284.03159	1.1
293.04654	4.6
296.06824	1.3
299.05841	1.1
301.10788	2.1
306.07666	1.5
311.05548	3.5
311.09213	8.6
312.09601	1.3
326.11740	5.1
335.05536	2.3
341.10294	1.4
341.13818	4.2
344.11530	0.8
356.12338	1.3
359.15042	3.3
371.14993	56.0
371.24344	3.1
372.15262	6.2
374.14087	1.1
389.16110	15.7
389.25323	7.7
390.16382	1.9
413.08878	1.4
431.26389	1.0
455.26361	0.9
473.12796	2.0
533.20264	8.9
533.28979	2.3
534.20776	1.7
549.28015	4.0
551.21277	1.5
575.31097	2.4
593.14716	1.7
593.22906	2.1
593.31873	24.7
594.17047	1.1
594.32373	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.3
57.03304	2.9
59.01254	55.8
61.98710	1.9
65.96976	1.3
69.03347	2.4
71.01255	45.7
71.58636	2.3
72.99190	2.6
73.02815	9.9
75.00749	3.5
78.02192	1.3
83.01261	12.9
85.02831	14.1
87.00751	2.0
89.01830	1.3
89.02308	6.6
93.03336	85.4
94.03691	2.3
95.01266	2.3
96.95895	3.3
99.00761	9.6
101.02324	23.5
107.04924	3.3
107.16483	1.3
108.02065	4.3
109.02850	3.9
113.02327	20.5
118.69110	1.4
119.04915	14.4
121.02841	33.2
123.04433	1.4
125.02325	6.4
132.17928	1.6
133.59924	1.3
135.04407	4.9
136.01550	4.0
137.02345	100.0
138.02687	3.3
143.03383	3.8
149.02417	1.8
149.06012	2.2
149.09601	2.8
151.03920	6.2
152.01180	1.6
159.02931	1.4
161.02406	2.6
161.04495	7.3
161.05681	1.1
163.03880	2.6
164.04694	2.2
179.03438	2.7
179.06989	1.5
191.03716	1.3
191.05539	4.4
197.06020	6.1
199.07686	1.8
200.04729	13.9
227.07100	31.9
228.07501	2.5
257.08203	15.1
269.15411	1.5
281.06732	4.8
281.15503	6.5
282.15460	1.4
293.04556	2.8
299.16602	11.2
323.07794	6.6
341.08588	2.0
345.22388	1.8
389.25589	3.2
399.12924	1.8
425.11053	2.6
443.12106	5.5
485.12955	36.1
486.13373	4.1
533.29626	2.9
549.29095	4.5
551.17603	4.2
592.30615	1.9
593.33594	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	593.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03322	0.5
59.01249	11.8
61.15183	0.2
61.98722	0.4
67.01762	2.9
68.99693	0.5
69.03327	3.5
71.01257	7.0
71.17976	0.2
72.99190	0.4
73.02809	2.6
79.01772	0.5
81.03329	10.8
83.01254	0.9
85.02827	1.6
87.00753	0.6
88.98678	0.4
89.02323	4.3
91.01784	0.7
93.03349	1.1
94.90622	0.3
95.01254	2.5
97.02841	2.0
99.00761	6.3
101.02322	4.0
106.04119	0.9
107.01263	7.6
107.04918	0.6
108.02055	4.0
108.02720	0.3
109.02865	0.5
113.02328	5.1
119.04907	0.5
121.02845	0.5
123.00761	5.3
123.04420	0.6
124.01559	2.7
125.02338	3.0
127.61345	0.2
131.03384	0.7
135.00775	0.8
136.01569	2.8
137.02347	0.6
143.03424	0.4
149.02370	0.5
149.04353	0.3
149.04765	0.4
149.05986	3.7
149.09634	0.4
151.00272	16.5
152.01103	1.3
161.04472	1.6
166.02614	0.5
175.11168	2.2
191.05559	1.8
203.05579	0.3
218.54782	0.3
218.77792	0.2
223.13373	0.3
225.05391	0.4
242.05809	57.0
243.06456	8.9
244.07045	0.4
257.08170	100.0
258.08493	6.8
275.07715	0.4
281.15482	1.7
293.08890	0.3
299.16550	0.4
311.11469	0.3
357.09607	0.4
387.10849	1.0
443.15714	3.8
444.15741	0.4
485.12991	0.6
533.16833	0.4
537.59528	0.3
551.17700	12.9
552.18146	1.9
575.25092	1.7
593.18689	10.8
594.18799	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	593.1513
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
58.00499	0.8
59.00977	0.6
59.01251	13.7
61.02088	0.5
69.53078	0.5
71.01252	7.0
72.99219	0.7
73.02873	2.0
75.00825	0.6
83.01318	0.7
85.02872	2.0
87.00813	0.7
89.02326	3.9
89.03876	0.5
92.74903	0.5
93.03333	3.1
95.01344	0.6
96.95953	1.7
99.00797	0.8
101.02335	3.4
109.02908	1.8
110.55087	0.5
113.02409	2.3
117.03348	13.2
118.02787	0.5
118.03711	0.5
119.03457	1.1
119.04978	1.3
121.02846	4.7
125.02373	0.9
128.03510	0.6
131.01265	2.4
135.04483	2.2
136.64899	0.5
137.02370	0.7
143.04626	0.7
147.04460	1.2
149.02403	1.2
149.04521	0.5
151.03940	1.7
161.02374	1.3
161.04497	0.5
163.00340	0.7
163.03925	5.1
173.02348	5.9
174.03015	0.6
175.00290	8.7
175.03996	2.2
179.03418	0.6
180.04211	1.0
181.05026	0.6
189.05551	1.0
190.06364	1.7
191.03600	0.6
191.05513	0.8
191.07104	1.3
193.04968	1.3
205.08705	1.8
207.06534	0.8
208.07295	1.2
209.06201	0.5
217.30353	0.5
220.03285	0.5
221.05981	0.6
227.07060	0.6
229.75256	0.7
241.05061	1.3
249.05428	0.8
257.08136	3.2
265.04932	0.6
269.04565	2.9
281.04620	2.6
282.05289	1.7
283.06116	8.6
284.03287	2.2
284.06293	0.9
289.07248	0.6
293.04550	100.0
294.04886	8.9
295.06168	0.6
299.05551	3.0
306.07663	1.0
307.07996	0.9
311.05609	20.7
312.05603	1.6
314.04263	2.3
323.05533	1.1
335.05618	1.4
341.06573	1.6
353.06506	0.7
359.14996	8.5
360.15033	0.8
384.65607	0.5
388.32181	0.5
389.16202	2.4
389.25296	2.1
413.08780	42.5
414.09079	5.1
473.10791	7.8
474.10883	0.7
533.29260	1.4
551.17737	0.6
593.14832	20.9
593.31262	2.6
594.15558	3.4
623.82098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85276	0.5
59.01254	12.3
69.26055	6.6
71.01247	4.9
73.02831	0.6
85.02814	1.1
89.02319	3.7
94.63833	0.5
97.27561	0.6
100.70997	0.5
101.02348	2.0
103.13219	0.5
113.02332	1.1
117.03344	14.1
118.03609	0.9
128.13742	0.5
131.01306	2.7
132.85345	0.6
135.23596	0.6
161.02307	0.7
163.03961	1.7
173.02405	7.9
175.00310	10.5
193.01514	0.6
209.05989	0.7
223.07648	0.7
249.05650	1.1
265.04971	0.7
269.04541	1.1
276.71194	0.6
281.04623	1.0
282.05035	0.9
283.06186	3.1
293.04559	100.0
294.04883	10.3
295.06012	0.6
311.05603	6.7
312.05969	1.0
314.04407	1.1
335.05322	0.8
341.06625	0.8
413.08783	75.0
414.09137	9.5
458.24655	0.6
473.10852	3.0
510.76718	0.6
593.15033	19.0
594.15887	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1515
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
59.01257	4.6
64.78162	0.9
69.65096	0.8
71.01237	2.4
71.11387	1.8
71.11742	1.0
73.02802	0.9
81.74585	0.8
83.01253	1.5
85.02821	1.2
89.02324	1.5
90.83863	0.9
91.05415	1.1
93.03355	1.5
96.95892	2.5
99.00800	1.2
101.02316	1.8
109.02852	2.2
111.00687	1.0
113.02377	1.1
117.03362	6.9
119.03487	1.0
119.04915	1.3
121.02843	2.1
123.04413	1.5
125.02358	6.2
133.02872	0.9
134.03575	1.2
135.04413	3.5
136.72977	0.8
137.02303	3.0
139.00250	1.3
141.01857	0.9
145.02855	0.9
147.04401	1.6
149.02373	3.9
149.06012	1.2
150.03134	0.9
151.03883	2.3
153.01805	1.7
158.37517	0.8
159.04428	1.8
161.02344	4.6
161.06061	1.1
163.03935	1.5
164.01073	1.5
165.01843	1.0
165.05481	1.2
171.58260	0.8
175.03931	3.9
177.01862	2.5
177.05479	2.3
178.02594	1.8
189.01991	1.4
189.05560	1.5
191.03418	2.6
192.30057	0.9
193.05075	4.0
203.03516	2.2
205.05043	1.3
233.04660	1.2
245.04689	0.9
267.06522	1.2
268.07285	1.4
282.05457	2.4
283.06110	3.9
285.12561	1.5
289.07181	2.2
293.04532	1.9
295.06238	5.8
296.06802	2.5
297.07684	23.2
298.07938	1.8
303.05042	1.2
307.06116	2.7
309.07739	3.1
311.05618	2.9
323.05737	5.8
324.06274	1.6
325.07166	10.1
328.05829	3.2
335.05670	1.6
337.07257	2.7
351.05008	1.4
353.06650	41.9
354.06873	4.2
355.08093	1.3
365.06659	5.5
365.18332	1.2
377.06577	1.0
383.07727	25.1
384.07962	2.8
395.07721	2.7
413.08685	3.4
423.06790	1.5
425.08630	1.6
473.10950	17.3
474.10696	2.0
494.02408	1.0
503.11890	3.6
504.11639	1.0
546.86401	1.0
575.13800	1.6
593.15125	100.0
594.15509	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	593.1301
Annotation	Catechin-(4alpha->8)-gallocatechin
Peak:m/z	Relative Intensity
51.78315	2.1
57.03328	11.7
59.01294	2.5
65.75925	2.2
68.43919	2.1
70.53118	1.9
70.87596	5.9
81.03339	2.4
83.01272	7.0
85.28310	2.5
93.03332	5.8
95.04897	4.2
97.02826	3.6
99.00765	5.5
99.04412	3.3
109.02831	23.2
111.00764	10.4
121.02850	5.6
123.00778	6.7
123.04406	12.1
125.02338	100.0
126.02628	3.2
133.02809	5.2
135.04422	3.0
137.02324	37.7
138.03122	4.2
139.00243	14.7
139.03894	7.3
141.01837	11.3
147.04414	2.5
149.02347	9.7
151.00266	4.5
151.03949	12.5
153.01813	6.9
161.02342	29.3
161.05971	4.8
162.03008	4.1
163.00301	5.2
163.03992	4.8
164.01070	6.5
165.01826	10.1
167.03383	10.0
175.03970	13.4
177.01857	37.3
177.05408	2.8
179.03419	8.1
181.04932	3.2
187.03949	5.1
191.03426	3.2
201.05359	2.6
203.03386	5.4
203.07152	5.2
205.04994	6.5
217.04863	4.1
229.04991	4.9
231.02902	2.6
243.03011	4.0
245.04495	5.4
245.08180	7.3
255.02942	5.7
273.03961	2.4
274.51224	2.3
285.03918	4.6
287.05615	6.4
289.07092	28.6
297.03979	3.2
299.05573	3.8
301.03491	2.6
301.07059	2.5
303.05063	6.9
305.06650	28.1
315.05063	2.9
405.58173	2.3
407.07880	12.4
414.00687	2.4
423.07117	23.5
424.07578	3.1
425.08688	9.3
441.08386	14.8
467.09860	7.7
507.59235	2.8
593.12506	5.5
598.18622	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63810	0.2
59.01255	0.5
61.98704	100.0
71.01232	0.5
80.96404	1.5
82.93532	0.3
125.02380	0.3
126.87199	0.2
152.98441	0.2
153.79535	0.3
164.98518	0.3
182.89410	0.3
193.71034	0.3
225.00789	0.3
270.19543	0.3
350.95789	0.3
352.10413	0.3
592.23730	1.2
592.32800	0.6
593.25732	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29667	0.1
54.60144	0.1
59.01255	1.3
60.99188	0.2
66.42416	0.2
69.86682	0.2
70.33607	0.4
70.34001	0.3
75.18314	0.1
76.03071	0.3
77.03819	0.2
80.96398	0.5
82.34995	0.1
93.03365	0.2
95.01288	0.2
120.02074	0.4
121.02847	100.0
122.03185	3.1
136.01553	0.4
140.18597	0.2
165.01851	4.8
180.05730	0.6
181.06503	3.0
197.06003	1.9
199.07593	0.3
207.04485	0.9
207.08134	0.4
209.04500	57.0
210.04825	2.5
223.03978	0.3
225.05548	1.5
251.07025	0.4
254.23543	0.2
257.09702	0.5
285.09210	0.2
293.04431	0.2
301.08795	0.3
304.44724	0.1
311.09729	0.2
313.07202	1.7
329.08090	0.3
339.34714	0.2
342.58774	0.2
357.06235	1.0
373.10950	0.2
373.60898	0.2
383.07639	1.2
401.08920	0.4
417.09753	1.2
505.11359	2.7
506.11914	0.4
549.10376	5.9
550.10449	0.8
593.13019	7.4
593.26086	1.1
594.13513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81200	0.4
59.01249	0.7
60.02700	0.5
71.01217	0.5
72.99175	1.8
75.00748	100.0
76.01076	0.8
92.54472	0.6
98.20583	0.9
130.41618	0.4
152.99496	1.3
159.01833	0.4
183.13857	2.1
209.11758	1.4
210.19672	0.6
257.40466	0.4
279.23413	0.9
307.19070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95449	0.3
59.01253	0.7
66.27506	0.3
71.63575	0.4
72.99184	1.9
75.00747	100.0
76.01078	1.1
78.95750	0.4
83.12640	0.3
96.95878	0.9
105.38466	0.4
120.66167	0.3
130.72476	0.3
185.25427	0.4
235.61482	0.3
267.23306	0.5
341.10599	0.6
412.67197	0.5
518.96143	0.4
591.35547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57842	0.6
54.23838	0.6
59.01254	3.5
60.08744	0.5
61.98706	100.0
62.82172	0.5
70.03119	1.3
70.03510	1.5
71.01263	0.9
71.79903	0.5
80.96409	3.1
81.40849	0.5
90.82787	0.6
94.97972	1.0
98.19860	0.8
105.15584	0.6
121.02857	12.3
164.98615	0.8
165.01860	9.5
225.00739	0.9
301.25824	0.6
357.83636	0.6
413.08633	0.7
592.24146	3.0
593.13306	1.0
593.26208	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	591.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.0
57.03315	2.3
58.00463	1.6
59.01251	100.0
60.01576	1.1
69.03328	1.5
69.50892	5.9
71.01254	48.6
72.01603	0.9
72.99160	3.6
73.02822	29.8
75.00755	0.9
81.03325	1.6
83.01260	4.4
85.02821	13.6
87.00753	3.5
87.04384	1.5
89.02317	44.5
93.03335	1.3
95.01273	4.1
96.95889	0.7
97.02819	2.6
98.19804	1.5
99.00757	88.8
100.01077	1.4
100.06361	0.7
101.02322	21.5
108.02071	0.9
109.02840	2.6
111.00764	1.0
112.01570	1.0
113.02331	30.8
115.03864	0.9
119.03388	6.0
119.04920	3.5
121.02837	3.3
123.04408	1.2
124.01520	1.0
125.02346	7.5
131.03407	9.6
135.00766	1.2
135.04410	3.0
137.02370	2.4
143.03362	4.3
149.04462	30.8
151.03874	2.2
153.01923	1.0
155.03398	3.1
161.04466	9.4
171.10254	1.4
179.05464	1.1
179.70178	0.8
191.05540	31.1
192.05933	0.8
203.05551	12.6
215.12729	1.1
233.06514	5.3
243.16034	1.2
244.83099	0.9
255.06633	2.5
255.19545	1.3
292.12540	0.7
293.08798	2.5
327.21860	1.6
343.24954	2.4
369.13699	0.9
369.22745	1.9
387.23633	3.6
387.28052	1.2
399.23969	4.5
411.23822	1.1
417.24911	4.9
459.25912	2.7
505.26453	1.0
531.27533	20.5
532.27789	3.7
547.27429	4.2
549.29010	28.7
550.29443	5.2
591.16571	1.4
591.20331	1.3
591.30200	21.8
592.30371	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50655	7.0
59.01253	100.0
68.78040	5.8
69.69071	20.3
69.69487	22.3
70.89951	6.7
71.01254	41.4
73.02818	23.7
83.01265	8.5
85.02843	12.3
87.00786	8.4
89.02340	8.6
91.50368	5.7
99.00736	11.1
101.02322	22.3
102.07166	7.3
109.02857	10.1
113.02313	19.3
161.04486	11.8
372.12762	7.9
387.23642	9.5
505.26614	21.3
547.27704	76.6
548.27826	12.3
591.30133	23.6
605.90863	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	591.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.4
57.03330	3.1
59.01255	100.0
69.03346	2.7
69.46851	6.5
69.47278	8.5
71.01258	38.3
72.99190	3.4
73.02814	21.9
74.34009	1.6
75.00772	2.5
83.01260	6.7
85.02837	17.3
87.00783	3.2
88.64415	1.5
88.98681	3.1
89.02339	9.4
92.24411	1.9
95.01274	2.7
96.95898	3.8
97.02837	1.9
99.00765	11.6
101.02324	29.1
109.02836	6.4
111.00809	1.7
113.01614	2.4
113.02341	19.5
113.84909	1.9
119.03448	2.5
121.02878	2.8
125.02339	7.5
131.03378	3.6
135.04437	3.0
136.01566	2.3
137.02386	3.1
143.03448	3.3
143.04555	3.5
151.03960	4.6
159.02975	3.2
161.04440	9.4
166.02670	2.3
191.05568	2.8
223.13402	3.8
257.57352	1.6
267.12421	3.2
289.07129	4.0
306.07605	4.0
348.58322	1.7
368.37744	1.7
373.22275	12.5
379.21207	1.7
387.14499	7.1
387.23892	4.0
415.23163	3.6
433.60907	1.7
505.26584	29.1
506.26819	2.5
547.27686	75.9
548.27887	12.4
550.14685	1.8
588.18555	1.7
591.30920	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	591.2612
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.46938	0.7
80.08469	0.6
144.41171	0.7
184.79173	0.6
260.62143	0.7
336.98691	0.7
346.50693	0.6
443.22327	2.0
444.19608	0.7
445.19904	1.6
455.22659	1.0
456.23453	1.3
459.22089	2.5
462.20908	0.8
471.25626	2.7
472.22711	2.1
473.23517	1.3
482.20975	2.1
485.19901	2.1
487.25772	2.9
497.23499	4.5
498.23941	0.9
499.21503	3.9
500.22095	14.6
501.22537	2.2
503.20779	0.7
504.21796	0.8
514.23584	1.5
515.24530	100.0
516.24866	18.5
531.41663	0.6
559.23456	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	591.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98711	3.0
63.25122	2.6
69.34280	10.0
69.34705	12.2
71.01259	35.6
72.99154	3.7
73.02828	13.4
83.01260	6.0
85.02836	14.1
87.00755	4.0
89.02322	24.0
97.02864	2.3
99.00755	17.7
101.02319	29.1
112.76584	2.0
113.02341	15.3
114.58040	2.3
119.03395	9.6
125.02325	6.0
135.04420	5.3
137.02408	2.3
137.09607	2.8
143.03331	2.8
152.63708	2.0
161.04482	8.0
171.10214	28.1
171.11681	3.7
177.01878	4.8
191.05536	5.2
192.79114	2.4
197.04541	3.4
201.11270	22.4
211.16991	4.5
253.09259	2.6
261.51166	2.3
278.71460	2.3
294.57346	2.9
305.86786	2.3
355.21320	3.8
373.22412	9.2
415.23401	5.4
505.26486	16.5
547.19287	5.3
547.27588	80.9
548.27765	13.8
591.28961	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	591.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.02209	1.0
57.03322	2.8
59.01252	38.1
67.01746	0.9
71.00890	1.6
71.01253	17.4
71.59475	1.4
72.99184	2.0
73.02822	8.2
75.00720	1.3
83.01273	2.1
85.02827	9.7
87.00762	2.7
89.02313	6.8
93.03334	2.3
95.01237	2.2
96.95879	2.2
97.02851	1.4
97.06490	0.9
99.00759	7.1
101.02328	8.0
101.90274	0.9
103.39035	0.9
108.02052	1.5
109.02843	8.3
111.00777	2.0
113.02334	8.1
119.04922	2.4
121.02856	2.5
123.00742	2.3
123.04380	2.1
125.02354	4.8
134.03676	1.4
135.04416	3.4
137.02344	17.3
138.03090	1.0
139.03912	1.4
143.03398	1.4
149.02347	2.3
149.04424	2.1
149.05948	2.0
150.03094	1.4
151.00287	18.1
151.01491	0.9
151.03897	6.4
152.01021	3.1
153.05414	1.4
157.08672	0.9
159.04381	1.0
161.02393	1.0
161.04500	4.4
161.05695	0.9
163.03885	2.0
165.01851	2.2
165.05475	2.0
166.02629	55.5
167.03235	4.2
171.10164	3.0
175.03851	1.2
177.01851	4.5
179.03391	2.1
181.04988	74.4
182.05347	2.5
190.02670	1.3
191.03551	1.0
191.05522	3.2
191.07101	1.3
192.04204	2.0
193.04875	1.3
201.11255	1.7
203.05489	1.1
205.05013	1.8
207.06525	1.9
215.12877	2.1
219.06296	1.1
330.48889	0.9
359.11667	1.1
369.13492	1.7
369.22839	1.4
371.15137	1.9
387.10474	8.9
387.14731	2.8
387.23749	4.1
391.27066	1.9
392.27341	1.2
399.23828	3.2
402.13184	6.5
417.15540	100.0
417.24612	3.0
418.15860	11.8
531.18762	3.2
531.28235	9.2
532.28082	1.0
547.27588	1.9
549.29047	13.1
560.62476	1.1
591.30719	18.9
592.30859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33107	1.3
57.03304	2.4
59.01251	68.0
66.20157	1.2
69.03307	3.3
69.52663	10.0
71.01250	29.2
72.99171	3.1
73.02819	41.0
78.70537	1.2
83.01279	8.9
83.01690	1.6
85.02808	7.8
87.00742	3.0
89.02306	7.2
93.03338	2.7
95.01260	3.2
96.95866	3.8
97.06473	1.5
99.00773	2.6
101.02322	32.3
108.02060	2.9
109.02850	6.3
113.02325	9.8
119.03425	3.4
119.61730	1.3
121.02867	6.3
122.03655	3.6
123.00777	3.7
123.04382	4.0
124.01550	1.4
125.02326	6.3
131.03423	3.6
134.03616	1.5
135.04395	2.9
136.01550	37.4
137.02333	9.8
138.03102	2.6
139.03767	1.5
143.03409	2.5
147.04417	1.4
149.02293	3.6
149.04445	4.1
149.05888	1.8
150.03059	2.0
151.00294	13.6
151.03922	58.1
152.01050	2.6
152.04497	2.3
153.05478	2.6
160.05246	1.9
161.02405	1.3
161.04443	5.9
162.03107	1.8
163.03871	1.6
163.45146	1.3
166.02621	40.9
167.03275	4.6
171.10159	1.7
175.03949	1.7
175.07515	1.4
177.01782	3.2
179.03380	2.3
179.07056	2.3
181.04984	47.9
182.05313	2.1
190.02679	1.4
191.05589	1.6
192.04153	1.3
193.04999	1.6
201.05501	1.4
203.07080	4.3
205.08685	1.6
207.06505	1.6
215.06956	1.7
239.87221	1.5
245.08099	1.7
253.05426	1.4
281.17694	1.5
289.07147	7.1
301.07092	3.9
309.07608	2.3
324.09946	1.7
339.12286	4.5
341.13809	1.7
351.12439	1.9
357.09726	10.8
358.09888	1.4
369.13416	10.4
369.22610	2.4
372.12238	7.0
387.14499	100.0
387.23816	32.9
388.14893	10.0
388.23962	1.8
411.14096	1.5
425.73013	1.3
497.64334	1.5
556.04114	1.7
591.30444	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	591.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88971	0.1
55.01767	0.2
56.62197	0.1
57.03324	0.1
58.00469	0.1
59.01253	4.7
61.98701	0.1
71.01255	3.3
71.46292	0.2
72.99184	0.3
73.02821	2.1
81.03367	0.1
82.95027	0.1
83.01268	0.4
85.02826	1.1
87.00751	0.2
89.02323	1.1
91.05373	0.1
93.03333	1.3
94.03696	0.1
97.02840	0.1
99.00757	3.1
101.02319	1.7
107.44202	0.1
109.02869	0.1
113.02336	3.8
117.03328	0.1
119.04916	100.0
120.05243	3.9
121.02855	0.1
123.04443	0.1
125.02358	0.4
131.03412	0.4
133.02867	0.2
135.04398	0.4
136.04724	0.1
137.02269	0.1
143.03401	0.4
149.04445	0.1
155.82805	0.1
161.04471	0.6
185.04512	0.1
191.05614	0.6
201.11316	0.1
203.05539	0.2
248.28770	0.1
255.10242	36.3
256.10590	3.2
275.07712	0.2
293.08685	0.1
335.09799	0.1
343.14175	0.1
417.15448	0.4
424.64014	0.1
459.16754	0.2
511.42517	0.1
531.18829	0.2
547.21118	0.1
549.19794	8.0
550.20123	1.3
591.20758	6.5
591.27734	0.2
592.21136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1142
Annotation	Robinetinidol-(4alpha->8)-dihydrorobinetin
Peak:m/z	Relative Intensity
57.03317	9.2
86.89877	5.1
93.03388	6.8
95.40078	5.1
97.02808	6.0
98.88593	5.4
99.00796	7.4
109.02840	24.4
110.45259	5.6
111.00793	18.1
121.02881	11.0
123.00782	18.7
123.04398	22.0
125.02351	100.0
133.02879	14.6
137.02347	43.3
138.03246	8.4
139.00258	24.9
141.01845	14.8
147.04417	5.3
149.02390	17.1
151.00290	10.5
151.03935	33.2
152.04858	5.5
153.01839	10.2
159.04428	5.4
161.02345	44.5
163.00299	12.3
163.03932	11.0
164.01102	10.1
165.01849	18.5
167.03471	10.4
174.03149	6.8
175.00253	5.5
175.03947	19.7
176.01083	8.2
177.01846	61.4
178.02689	7.2
191.03429	14.3
193.05006	16.8
196.03720	9.5
199.04005	10.8
201.05391	5.9
203.03384	8.7
205.04967	7.7
215.03491	8.0
217.04994	17.0
219.02846	7.4
229.05115	8.4
230.46010	7.3
241.05086	6.5
243.02977	12.0
245.04561	6.8
255.03156	12.8
256.03708	9.6
257.04480	7.6
259.02417	13.9
261.04166	6.8
261.69833	5.7
271.02441	10.1
272.03247	6.3
273.03934	6.1
275.85886	5.6
284.61240	5.4
285.04065	27.8
287.05634	13.0
289.07208	22.3
301.03705	31.0
301.06677	6.2
303.05069	42.2
327.04959	8.6
328.05435	5.4
353.93317	5.7
407.07806	22.5
421.05630	23.0
422.05826	7.1
423.07324	21.3
425.08990	10.6
439.06592	31.0
441.08276	9.1
465.08054	11.8
510.55994	5.9
547.16699	23.4
555.09357	9.4
591.11401	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	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
63.34689	0.2
72.99190	1.9
74.74494	0.2
75.00751	100.0
76.01087	1.0
84.56651	0.2
98.20543	0.7
100.55117	0.2
113.54203	0.2
118.02570	0.2
126.44303	0.3
138.22789	0.3
162.80183	0.2
166.43201	0.3
169.33455	0.3
170.47545	0.2
177.38110	0.3
182.46007	0.2
246.47049	0.2
253.09225	0.4
293.21255	0.9
299.68927	0.3
388.43915	0.3
509.81427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	26.5
61.98729	3.9
70.34336	3.9
70.34736	3.9
71.01266	6.7
89.02310	6.6
101.02331	7.3
113.02353	2.3
121.02865	2.1
125.05957	1.7
125.09659	4.6
127.11182	4.2
136.63145	1.6
153.09070	1.9
171.10152	2.3
174.17139	1.8
182.08862	1.7
230.15466	6.5
253.09290	19.9
265.21725	19.2
275.20200	8.2
293.21234	100.0
294.21555	12.9
295.84732	1.9
310.18112	2.0
356.25983	2.2
382.23566	3.5
472.30573	3.4
516.30042	2.1
529.30078	5.6
556.66809	1.9
561.62543	2.2
590.33502	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24844	3.3
59.01255	34.0
61.92695	4.2
61.98697	4.5
69.49816	17.3
69.50243	17.5
71.01251	6.1
86.11266	3.6
89.02345	9.7
101.02348	12.3
113.50248	3.9
120.56511	3.8
171.10190	6.6
195.13821	5.6
220.55598	4.2
253.09258	40.0
275.20245	6.5
293.21237	100.0
294.21515	7.7
356.57639	4.6
368.72363	4.9
594.63977	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91119	0.4
57.03339	2.3
59.01255	14.1
61.98695	0.9
71.01249	2.9
71.19855	1.2
83.01268	0.5
89.02326	3.7
97.06519	0.8
101.02338	4.0
109.06428	0.5
113.02337	1.3
113.09609	11.2
119.03386	0.6
143.03323	0.5
144.79118	0.5
161.04454	1.4
167.10680	1.6
171.10146	1.8
172.17633	0.5
179.10678	0.9
195.13820	1.4
237.93886	0.5
249.22162	1.4
253.09256	15.6
254.09596	0.6
275.20193	1.9
293.21228	100.0
294.21561	9.1
529.30145	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	589.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53927	2.2
57.03328	3.9
59.01252	100.0
69.61440	17.4
70.22421	2.6
71.01256	36.2
72.99176	3.6
73.02815	19.5
83.01279	8.3
85.02833	19.5
85.47778	2.2
89.02301	14.1
95.01216	4.0
96.95904	4.6
99.00758	19.5
101.02324	23.2
109.02850	3.5
113.02345	12.7
116.17767	2.3
119.04897	2.8
121.02856	3.4
122.05972	2.8
124.07618	2.9
125.02364	6.6
131.03358	3.8
137.02374	6.3
143.03374	3.2
149.02267	3.3
149.04422	4.6
151.03844	4.8
155.03410	2.8
161.02332	2.9
161.04457	8.3
163.03998	2.8
191.05565	9.0
218.57655	2.4
222.21326	3.1
245.08299	2.4
289.07278	6.4
303.13477	5.8
371.20657	11.7
387.17029	2.5
391.26779	3.1
393.17902	2.3
413.21533	4.5
503.24814	16.1
513.03046	2.6
545.25946	59.3
546.26257	11.0
589.27356	10.6
590.28851	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99762	0.2
54.28529	0.2
59.01254	0.3
70.50239	1.0
72.99182	1.8
75.00748	100.0
76.01099	1.0
77.44603	0.2
78.95766	0.4
119.04888	0.3
152.99519	0.3
193.22359	0.2
218.33011	0.2
228.17560	0.2
277.21548	0.5
294.87866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43202	0.4
59.01252	97.2
60.01591	0.8
62.81909	0.4
69.41951	1.3
69.42367	2.6
73.02826	0.6
81.79452	0.4
85.02848	0.5
93.03332	1.4
101.02348	0.5
119.04916	100.0
120.00078	0.5
120.05244	4.0
157.61131	0.4
325.14447	42.5
326.14783	5.2
367.15488	0.4
415.33127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	3.3
59.01252	100.0
62.61118	2.2
65.53787	2.2
69.50987	8.5
69.51421	12.1
71.01253	43.2
73.02830	21.5
83.01257	7.9
85.02825	18.7
86.68669	2.3
87.00755	2.8
89.02322	10.4
91.11012	2.5
96.95860	3.8
97.02766	2.3
98.19773	3.3
99.00794	15.8
101.02335	25.8
109.02837	3.4
113.02334	18.0
117.90560	2.3
123.04429	4.1
125.02335	4.6
134.75145	2.3
135.04391	3.3
137.02321	4.8
149.02264	3.4
149.04419	6.1
161.04468	8.9
174.53569	2.3
191.05496	4.7
209.15459	5.8
289.07281	12.1
303.13184	2.8
371.20728	10.5
413.22034	6.1
503.25079	25.2
504.25391	3.3
545.26031	67.3
546.26544	7.9
589.22577	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	589.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.6
59.31658	0.7
61.01680	0.8
61.98697	0.8
65.03837	1.4
70.21706	0.7
71.01250	5.7
71.33792	0.7
73.02827	3.3
74.82568	0.7
75.53194	0.7
79.03804	0.7
85.02819	2.1
87.03383	0.8
89.02336	2.6
91.05415	10.7
91.89491	1.0
93.03327	2.6
96.95918	0.9
98.20570	1.5
99.00757	2.3
101.02341	3.7
107.04890	1.1
109.02836	11.6
113.02313	2.6
119.04929	3.5
120.05312	1.4
121.02834	11.4
124.25398	0.7
125.02309	1.8
135.04416	100.0
136.04778	2.8
145.43732	0.8
147.04446	3.1
161.04811	0.9
161.05984	6.1
171.10188	3.3
175.07518	1.4
188.12355	0.7
191.05571	1.0
193.08682	1.2
199.09709	1.6
201.07414	1.2
201.09167	9.9
201.46297	0.8
219.10216	15.4
220.10617	0.9
233.27397	0.9
325.14304	1.3
341.13913	36.3
342.14221	3.1
385.16470	1.0
385.25793	0.9
504.96045	0.9
545.20215	21.5
545.28656	1.5
546.20532	4.2
589.28558	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	589.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92531	0.6
51.50473	0.5
59.01254	100.0
60.01590	0.9
65.35114	0.7
69.33554	5.5
77.12836	0.5
86.45895	0.6
93.03331	0.8
119.04920	74.2
120.05286	2.7
169.12242	0.7
209.11693	0.8
259.50015	0.6
310.36081	0.6
325.14453	31.4
326.14890	3.4
460.11734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.9
59.01254	100.0
63.57784	3.9
71.01264	40.7
71.58060	5.6
73.02825	16.8
83.01274	5.4
83.15238	3.5
85.02822	16.2
89.02319	17.3
93.03323	6.9
96.95894	13.5
99.00745	10.3
101.02323	20.5
106.06507	7.1
109.02835	6.6
113.02348	17.7
119.03422	6.2
123.04526	4.0
125.02342	9.6
135.04413	15.7
137.02373	9.8
149.02341	5.7
150.05473	5.8
151.03937	9.5
158.91704	4.6
161.04448	8.5
163.03893	5.9
171.10014	4.0
191.05615	5.6
204.80066	4.2
220.32341	4.2
240.69562	3.9
251.06602	3.3
257.13025	8.7
274.07416	3.8
301.11911	10.2
394.03137	3.8
409.40433	4.0
483.29688	9.0
501.30170	4.3
514.29437	4.8
540.16583	3.7
567.33209	4.5
587.27020	6.7
587.30188	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	587.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92709	4.1
59.01254	100.0
71.01261	50.6
71.59263	7.3
73.02831	33.2
83.01254	10.5
85.02817	20.3
87.00732	4.9
89.02318	59.0
93.03327	6.1
96.95910	13.9
97.02840	4.4
99.00158	7.6
99.00763	79.2
101.02309	14.1
109.02856	9.2
113.02335	28.0
119.03397	5.1
123.04422	6.2
124.01972	4.1
125.02318	14.2
131.03416	13.5
134.03668	6.2
135.04411	6.3
137.02325	14.2
143.03360	7.4
149.04471	57.9
150.03120	4.1
151.03897	10.2
161.02431	4.8
161.04453	9.3
173.04550	4.6
177.01901	6.3
191.05516	37.5
203.05557	16.1
255.06721	5.1
337.20175	4.7
389.25491	39.6
463.06461	4.3
587.27228	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	31.6
61.13609	1.5
61.98699	1.7
62.52238	2.0
71.01264	6.1
71.59122	1.5
71.59502	3.0
85.02817	1.9
89.02335	5.0
93.28248	1.6
96.95905	4.7
101.02310	5.7
113.02343	4.5
125.09602	4.5
127.11155	5.2
144.99957	1.6
153.12756	5.7
170.30415	1.5
247.20770	7.4
253.09311	18.4
263.20178	11.4
273.18561	12.8
291.19675	100.0
292.19971	6.7
464.14413	1.6
527.28522	10.1
528.59344	1.7
590.34589	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47252	3.5
53.93125	3.4
59.01255	50.6
61.98685	5.6
71.01245	13.2
71.59245	5.3
77.47066	3.6
83.04894	5.1
89.02338	5.8
96.95920	4.4
97.06471	6.3
101.02307	8.1
104.88612	3.6
111.08075	22.4
125.09624	47.8
136.86336	3.4
153.25392	3.7
161.04431	5.9
173.08070	25.8
181.97113	4.5
187.09689	37.8
202.50243	4.0
253.09276	25.3
261.13367	3.9
263.20148	8.7
273.18671	8.9
291.19659	100.0
292.19995	8.4
417.21304	15.9
527.28448	13.1
587.30640	46.1
588.31097	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	587.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92709	4.1
59.01254	100.0
71.01261	50.6
71.59263	7.3
73.02831	33.2
83.01254	10.5
85.02817	20.3
87.00732	4.9
89.02318	59.0
93.03327	6.1
96.95910	13.9
97.02840	4.4
99.00158	7.6
99.00763	79.2
101.02309	14.1
109.02856	9.2
113.02335	28.0
119.03397	5.1
123.04422	6.2
124.01972	4.1
125.02318	14.2
131.03416	13.5
134.03668	6.2
135.04411	6.3
137.02325	14.2
143.03360	7.4
149.04471	57.9
150.03120	4.1
151.03897	10.2
161.02431	4.8
161.04453	9.3
173.04550	4.6
177.01901	6.3
191.05516	37.5
203.05557	16.1
255.06721	5.1
337.20175	4.7
389.25491	39.6
463.06461	4.3
587.27228	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	587.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.4
69.89419	8.6
69.89835	13.5
83.70651	3.7
98.20046	10.3
116.20584	4.0
119.04907	100.0
120.05305	5.4
121.02856	7.4
173.48520	4.5
175.03857	5.3
176.08403	4.6
202.25208	3.7
204.07846	16.2
205.08632	5.4
217.08650	12.2
219.10199	83.7
227.35985	4.1
339.16010	41.8
340.16406	5.3
373.51413	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	587.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47589	4.5
57.03291	4.1
57.59394	4.5
59.01253	100.0
71.01252	52.3
71.58966	12.5
72.99206	5.2
73.02822	29.5
83.01254	8.4
85.02846	24.8
87.00751	5.0
89.02318	60.5
96.95880	13.5
99.00162	7.4
99.00757	85.5
101.02308	24.3
104.10909	4.6
105.13169	4.7
108.47163	3.7
109.02826	14.1
113.02341	22.2
119.04934	6.4
121.02781	4.6
123.04414	5.6
125.02292	11.6
128.03421	6.2
128.90041	11.7
129.01808	10.5
131.03380	18.0
137.02330	10.7
137.68364	4.0
138.03120	10.5
139.03900	5.3
139.33449	3.9
143.03320	8.6
149.02364	7.1
149.04469	62.8
150.03146	6.3
151.03951	6.2
155.03419	4.9
161.02235	4.8
161.04445	14.6
163.60669	4.1
165.05467	5.2
178.85648	4.2
189.21443	4.5
191.05528	42.2
203.05435	16.7
207.10231	35.4
219.06534	5.5
223.23430	4.5
223.71695	4.1
233.08284	9.4
301.11780	6.2
339.12219	11.0
389.10153	5.5
389.25180	7.4
413.21976	4.8
465.34088	4.1
543.20502	10.3
545.26056	11.6
575.84454	5.0
587.26855	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	585.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98648	0.9
71.01251	5.5
71.59121	1.0
73.02808	1.6
83.01266	0.8
85.02835	3.1
89.02319	2.0
96.95901	1.0
99.00719	0.9
101.02306	4.1
109.02833	1.4
113.02332	2.8
119.03438	1.2
121.02837	3.4
125.02417	1.1
143.03467	0.9
151.03993	0.9
158.26932	0.9
159.06519	1.0
161.04529	1.9
167.40617	0.8
169.78310	0.7
203.71355	0.7
215.03662	0.8
249.09618	0.8
344.06635	0.8
395.24432	2.4
413.25674	1.8
461.15359	0.8
465.28235	1.1
467.34216	0.8
483.29611	5.4
585.21179	1.2
585.29620	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	586.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97922	1.2
57.65913	0.7
57.97422	1.0
58.99477	1.3
59.01242	2.9
61.98696	1.8
69.50442	6.2
71.01250	3.9
72.10891	1.0
72.97419	1.8
72.99200	1.5
73.01045	2.1
74.98977	1.5
81.03336	1.4
82.02859	1.0
85.02802	1.2
87.00754	1.7
95.58843	0.8
95.82555	0.7
96.95897	5.3
97.02833	0.9
98.00600	1.4
100.02141	8.9
101.00554	9.2
108.01982	1.1
108.04437	4.0
109.02840	3.1
110.02348	2.3
112.02106	4.1
114.00062	0.9
116.01662	1.6
121.02832	0.9
122.03638	1.4
123.00715	1.2
123.04403	13.7
124.01510	3.6
125.02317	2.2
125.09585	0.9
126.00104	1.3
128.03448	1.0
133.02850	0.8
135.04413	2.4
136.01517	1.0
137.02344	44.1
138.02681	1.4
139.03882	2.2
140.01653	3.0
141.99545	0.9
142.03207	4.4
144.01155	46.2
144.99568	5.7
150.03139	3.2
151.03920	33.4
152.04700	33.8
165.20866	0.8
167.07057	2.5
168.01155	3.3
169.99077	1.8
177.01836	5.6
178.02635	10.4
179.03389	4.6
182.02696	2.0
184.00684	3.1
186.02251	2.9
187.09679	0.9
193.04984	12.6
195.02866	2.4
196.00734	2.1
196.03703	56.3
197.04224	4.1
198.02258	1.4
211.06073	8.8
226.01770	2.4
229.01427	0.8
230.01250	6.6
272.02319	3.3
295.75793	0.9
314.03577	3.6
340.08133	1.0
364.73129	0.8
374.05469	5.2
417.06021	0.9
568.11414	9.6
569.11450	1.9
571.09991	2.4
572.10254	0.8
586.12335	100.0
587.12646	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	585.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15585	1.2
59.01253	32.4
61.98700	1.9
68.99701	2.0
71.01254	6.8
73.02807	2.9
83.01260	2.4
83.04881	1.9
85.02813	2.7
89.02310	2.5
93.03311	1.6
95.04872	2.3
97.02834	3.7
99.40636	1.5
101.02316	5.1
107.04935	2.3
108.02056	1.7
109.02824	9.1
109.47500	1.2
111.04388	2.4
113.02381	2.8
119.04916	23.4
121.02822	4.6
121.06464	1.4
122.03605	1.3
123.04388	5.5
125.02371	1.2
133.02859	1.6
135.04391	4.0
135.08006	1.8
137.02368	6.7
139.03893	4.8
141.05461	2.3
145.06454	1.2
146.03607	3.4
147.04428	3.6
149.02364	6.2
150.03162	1.7
151.03893	5.9
158.03549	1.2
159.04402	4.6
161.02388	10.1
163.03886	5.1
165.04295	1.2
171.04268	1.7
172.05235	1.8
173.06036	2.7
174.03197	2.5
175.03870	4.3
175.11240	1.3
176.01085	1.8
177.01891	2.2
177.09096	4.9
183.04398	1.4
185.02377	1.5
185.06001	2.1
187.03891	2.1
187.07591	10.3
189.01866	2.3
189.05453	1.3
189.09120	4.6
190.02621	2.9
191.03401	3.7
191.05501	1.7
191.10809	1.7
197.04424	2.0
197.06018	4.2
199.03989	3.1
199.07578	3.2
200.01096	1.7
201.01994	1.7
201.05481	1.3
201.09102	4.3
202.02538	1.4
203.03352	2.2
203.07025	3.0
204.07896	2.4
204.81833	1.3
205.08600	2.9
209.06142	1.6
211.03969	2.2
211.07494	3.3
212.04797	3.2
213.01675	1.6
213.05515	4.3
213.09135	4.8
214.09894	1.5
215.03490	7.3
215.07043	9.6
215.10794	2.4
216.04176	2.1
217.08679	7.2
219.10220	19.9
223.07608	1.6
225.05476	3.0
227.03462	2.0
227.07088	2.0
227.10736	3.6
228.04041	2.7
229.08594	1.9
229.76508	1.8
231.10287	1.8
237.09090	2.0
239.03391	1.8
239.07021	4.6
240.04301	2.0
241.04968	2.7
243.10242	2.1
249.08856	1.6
253.05028	1.6
253.08838	2.9
254.05753	2.5
255.03000	3.4
255.06601	3.0
256.03751	19.0
257.04251	2.7
257.08151	3.1
259.09610	3.1
265.12262	1.8
266.05762	1.4
267.06555	3.1
268.11154	1.7
279.06409	1.4
281.04752	2.1
281.07916	1.7
281.11844	2.3
283.02570	2.3
283.05994	3.0
284.03278	12.7
292.07339	1.4
293.08179	4.0
295.06027	3.3
301.07184	8.3
304.39734	1.3
309.11212	5.7
323.12808	5.1
323.16528	4.3
325.14413	1.6
335.09100	1.9
335.12982	1.7
339.12283	2.2
339.15945	5.5
351.12341	14.2
352.12851	3.1
353.10287	100.0
354.10690	14.1
367.15436	12.8
368.16360	1.7
369.13330	3.0
377.21280	2.7
381.09628	3.4
385.16626	3.5
396.12006	9.3
397.12326	2.0
403.19183	4.3
407.14877	5.7
421.20306	9.8
423.18091	21.3
424.18274	2.4
447.18115	43.9
448.18729	6.1
451.21210	10.5
465.19031	4.0
465.28232	1.7
472.17459	1.8
516.16339	53.2
517.16473	7.3
541.24213	8.2
542.24829	1.5
585.23346	55.0
586.23657	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	584.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48814	0.2
57.97439	0.2
59.01251	100.0
60.01587	1.0
61.98705	1.7
69.54179	1.5
71.01244	0.7
73.02815	0.3
73.25677	0.2
85.02843	0.3
85.26785	0.2
96.95904	0.3
101.02338	0.6
113.02297	0.3
119.04969	0.2
148.43610	0.2
163.39084	0.2
170.03905	0.2
247.07935	0.6
317.17224	0.5
359.18271	1.5
360.18558	0.2
473.77209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	32.4
71.01257	10.2
73.02824	7.1
82.57423	1.2
83.01258	2.0
83.04919	6.2
85.02825	4.5
89.02324	11.7
89.97583	1.3
93.03376	1.7
99.00751	14.1
101.02328	4.6
113.02346	5.1
119.03435	1.6
119.04911	23.8
121.02842	100.0
122.03164	3.3
122.05863	1.4
125.02358	2.0
131.03436	2.0
143.03427	2.1
149.04485	5.9
161.04401	3.6
164.59125	1.2
165.05505	2.0
176.84096	1.6
191.05600	4.8
203.05574	2.5
204.07881	1.6
217.08546	3.3
219.10199	7.9
246.28751	1.6
252.35388	1.4
257.10266	2.2
276.63898	1.5
339.15912	2.7
347.75919	1.4
365.17764	1.9
377.14563	7.0
382.38943	1.4
419.15634	16.7
473.02161	1.4
523.01093	1.8
531.54651	1.5
555.82385	1.5
585.23541	1.4
607.76208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42936	1.2
56.97898	2.0
59.01250	3.9
61.98705	29.8
70.99492	1.8
71.01263	3.1
78.17416	1.3
81.03325	3.6
89.02264	1.4
96.95889	13.8
108.02014	1.3
109.02820	3.8
111.46384	1.4
112.02139	6.7
123.00729	1.7
123.04427	23.6
124.01524	3.6
125.02335	5.0
135.04463	1.9
136.01558	2.7
137.02347	55.9
139.03899	2.0
140.01639	2.0
150.03104	2.3
151.03918	62.4
152.04703	45.5
153.04962	1.6
156.01080	1.3
167.07062	6.1
177.01846	4.2
178.02655	7.0
184.00629	3.5
193.05002	10.4
195.02858	4.7
196.03706	100.0
197.04047	4.3
205.52155	1.4
211.06065	41.6
212.06396	2.0
284.89429	1.5
293.73401	1.4
355.10226	2.1
359.11536	1.3
525.09576	8.5
540.11737	28.7
541.11603	3.0
584.10760	42.9
585.10889	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	583.316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79748	0.5
57.98859	0.6
59.01239	1.0
63.81211	0.5
63.96100	1.6
65.91768	0.6
69.03333	0.8
69.11754	0.5
70.15682	1.1
70.16077	1.1
71.01257	7.2
73.02814	2.1
73.21359	0.5
78.98463	5.8
79.95169	0.8
79.95610	11.2
80.96394	75.3
81.03332	1.0
85.02824	3.1
86.79231	0.5
87.00755	3.0
94.97379	1.0
94.97963	16.7
95.01209	0.5
96.95872	1.2
97.02855	1.2
99.00734	0.8
101.02317	2.1
102.56097	0.6
106.97975	3.8
116.43494	0.6
122.97476	3.1
125.02381	2.5
127.03894	0.6
132.06216	0.4
134.97496	5.6
136.99049	1.5
139.42278	0.5
146.97369	0.5
148.99060	5.5
152.98543	6.2
164.98561	12.6
206.99648	3.1
220.01576	0.6
223.44427	0.5
225.00719	17.1
283.26514	2.3
284.27051	0.6
299.04480	3.3
344.76855	0.5
381.70956	0.5
451.32266	0.6
488.30997	0.5
583.31573	100.0
584.31848	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	583.2912
Annotation	Scutianine K
Peak:m/z	Relative Intensity
51.61126	0.8
57.03323	1.2
57.53521	0.8
59.01260	1.2
69.03317	1.5
69.14687	0.9
71.39157	1.8
76.58036	0.9
83.01268	7.4
93.03352	1.2
95.04897	1.7
97.02820	6.1
102.32021	0.8
108.02034	2.0
109.02841	11.2
121.02897	4.5
122.03632	3.0
123.04416	14.4
125.02303	3.2
126.84995	0.8
135.04408	3.6
137.02365	9.2
139.03925	4.0
145.02838	2.3
146.03600	1.5
149.02350	9.1
149.05942	2.1
150.03064	1.3
151.03929	4.7
151.04918	0.8
154.02658	1.0
159.04390	2.1
161.02341	5.3
161.06041	6.3
162.03091	3.9
163.03918	2.0
164.01041	2.6
165.01840	7.2
165.05443	2.4
173.05910	1.2
175.03868	1.9
175.07565	1.1
177.05450	2.4
179.03465	1.2
187.03856	3.1
190.02698	1.0
191.03391	1.9
201.05550	1.4
202.06302	1.2
203.07156	4.5
205.05000	10.4
206.05219	1.5
221.08173	3.1
221.11685	1.9
229.05038	1.6
231.02904	1.4
233.15234	0.9
239.12860	1.7
247.06096	6.9
273.22183	1.0
275.12787	1.1
303.12329	1.3
317.21228	2.5
319.22723	1.6
333.24191	4.2
335.22461	4.5
377.23260	1.1
421.25964	1.8
431.24359	4.3
432.25064	1.0
521.28729	1.1
539.30219	6.2
540.30194	1.2
565.27979	2.0
583.29108	100.0
584.29492	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	583.2912
Annotation	Scutianine K
Peak:m/z	Relative Intensity
54.05042	0.8
57.03323	1.9
59.01247	12.3
59.92857	0.9
66.58989	0.8
68.55277	0.8
69.03315	1.6
69.25708	10.7
72.89599	0.8
81.03339	1.4
83.01257	6.1
89.09553	0.9
93.03348	1.8
95.01247	0.9
95.04905	1.6
97.02831	7.3
98.20567	2.2
100.48350	0.9
103.71452	0.8
108.02060	1.9
109.02835	13.7
114.05431	0.8
121.02824	6.9
122.03623	2.4
123.04413	16.8
125.02337	5.9
133.02879	1.1
135.04405	3.8
137.02368	9.2
139.03896	3.9
140.32401	0.9
144.57816	1.1
145.02831	1.4
146.03627	2.1
149.02357	9.6
149.06032	1.2
151.03966	3.6
159.04419	3.2
161.02364	6.5
161.05988	6.3
162.03093	3.1
163.03888	3.1
164.01068	2.4
165.01849	6.2
165.05484	2.6
175.03922	1.6
177.05476	1.9
178.92531	0.9
179.03473	1.9
187.03897	3.1
188.04683	1.0
190.02602	1.0
201.05524	2.1
203.07071	4.5
205.05005	10.4
221.08167	3.9
221.11717	3.3
229.05110	1.3
231.02992	1.4
233.04396	0.9
235.50305	0.9
239.12924	1.7
239.40477	0.9
243.06610	1.1
247.06085	6.0
282.69687	1.0
295.22748	1.1
317.21219	3.4
319.22617	1.7
333.24344	4.2
335.22281	4.0
377.22858	1.4
431.24280	4.0
515.70343	1.1
521.29150	3.4
539.30463	6.3
540.31049	1.2
565.28119	2.2
583.29083	100.0
584.29376	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	583.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.76423	16.3
70.16561	23.3
70.16962	51.9
71.01226	25.7
76.68983	17.9
150.07158	16.5
253.09291	41.5
311.22266	67.0
365.74478	17.4
377.41794	20.6
577.71130	18.6
583.28937	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	583.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23042	1.0
56.82527	1.0
61.82714	0.9
63.38221	0.9
63.86699	0.9
76.90028	0.9
83.01253	6.5
93.03365	2.5
95.04888	1.4
97.02833	5.1
108.02084	2.0
109.02838	15.2
110.03125	1.1
113.21707	1.1
121.02857	5.9
122.03599	3.9
123.04408	18.7
124.01582	1.3
125.02345	3.8
133.02765	1.2
133.10176	1.2
135.04408	4.6
137.02347	9.8
139.03899	4.0
139.11188	2.3
143.04904	1.1
145.02802	1.5
146.03633	2.2
149.02328	8.7
149.05989	2.2
150.03085	1.1
151.03885	4.5
151.11221	1.4
159.04410	2.2
161.02383	7.4
161.06003	6.2
162.03098	3.3
163.00294	1.5
163.03902	3.6
164.01050	2.9
165.01823	9.1
165.05440	3.3
175.03989	1.5
177.05484	2.9
187.03922	3.8
188.04665	1.0
199.13425	1.3
201.05544	2.1
203.07051	4.0
205.05013	11.7
205.12192	1.1
221.08183	2.9
221.11832	2.0
231.02820	1.3
231.17929	1.0
239.12668	2.0
247.06088	7.8
296.97684	0.9
316.89011	1.0
317.21198	2.1
319.22626	1.5
333.24353	2.9
335.22241	2.6
377.23392	1.7
377.82251	1.0
383.22665	1.3
431.24332	10.0
432.25119	1.6
447.03616	1.3
461.25256	1.2
521.28967	2.5
539.30188	5.9
557.77771	1.1
565.28473	6.5
566.28143	2.1
583.29102	100.0
584.29419	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	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
60.74172	0.6
63.96112	1.0
69.03304	0.7
70.15654	0.8
70.15994	2.9
71.01254	7.3
73.02821	2.0
75.56910	0.6
76.18906	0.6
78.98466	5.7
79.95602	10.0
80.96394	73.5
85.02827	3.7
87.00755	3.0
94.24995	0.6
94.97375	1.2
94.97962	15.7
96.95925	1.2
97.02834	1.7
99.00779	0.9
99.32101	0.7
101.02315	2.6
106.97982	3.1
122.97476	5.2
125.02325	2.4
127.03879	1.1
127.80133	0.7
133.11264	0.7
134.97476	5.1
136.99030	0.7
148.99028	5.5
152.98567	9.3
153.13591	0.7
164.98550	11.9
182.99635	2.5
206.99631	4.0
218.46863	0.7
225.00716	18.8
243.01772	2.0
281.24966	4.3
299.04376	2.4
581.30011	100.0
582.30273	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	583.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41221	10.6
59.01257	100.0
70.64391	29.5
71.01245	16.2
76.57452	10.5
96.33180	9.4
96.95907	10.7
136.22757	11.9
139.68935	11.6
186.00916	10.7
253.09151	18.5
311.22305	53.2
335.43909	10.5
379.19318	14.2
583.28510	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	583.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	90.3
59.37275	11.1
61.94017	12.5
69.26701	100.0
69.27125	32.0
90.10941	11.4
96.95889	13.8
101.02315	12.7
111.82674	9.6
253.09210	24.8
253.13576	18.3
293.21323	13.0
311.22226	42.7
469.08035	11.6
583.28864	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2755
Annotation	Aralionine A
Peak:m/z	Relative Intensity
57.03312	1.2
59.01263	1.8
61.98701	0.7
69.03323	1.5
69.94720	4.0
75.50854	0.9
81.03340	1.0
83.01260	6.2
90.37709	0.7
93.03324	2.0
95.01280	1.0
95.04882	1.2
95.30552	0.7
97.02843	5.3
98.20549	0.8
107.04865	0.9
108.02059	0.9
109.02818	10.5
117.03376	0.8
121.02858	4.6
122.03625	4.5
123.04420	14.9
124.01530	1.1
125.02313	4.3
135.04401	3.5
137.02357	8.8
139.03906	3.8
145.02870	1.4
146.03606	1.7
149.02342	10.3
150.03078	1.0
151.03915	3.5
159.04399	2.2
161.02345	7.6
161.06003	7.0
162.03114	3.1
163.00276	1.7
163.03894	3.7
164.01064	2.7
165.01846	7.9
165.05489	2.4
173.05959	1.2
175.03938	1.7
175.07771	0.8
175.11237	0.7
177.01863	2.1
177.05440	2.8
179.03418	1.5
185.06027	1.0
187.03929	2.5
188.04657	1.1
189.01849	1.1
189.05330	0.8
190.02592	1.0
191.03433	2.2
201.05434	1.9
202.06166	0.8
203.03453	1.0
203.07033	4.5
204.04253	0.8
205.04994	10.1
215.07166	0.9
219.06586	0.9
221.08104	3.0
221.11748	2.0
229.04930	2.1
231.02914	1.8
231.13942	0.8
239.12852	2.4
243.06638	1.4
247.06076	7.0
273.11340	1.2
287.20035	1.8
288.06448	0.9
293.21320	0.8
301.10800	2.1
315.19623	1.2
331.22720	2.1
333.20734	3.5
362.45801	0.8
375.21680	1.6
383.57727	0.7
419.24332	2.5
424.15332	1.1
429.22781	3.5
519.27551	3.4
537.28491	4.7
538.28680	1.3
563.26709	4.2
581.27527	100.0
582.27954	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	581.2756
Annotation	Aralionine A
Peak:m/z	Relative Intensity
53.84614	0.9
57.03337	1.4
59.01243	1.4
69.03317	1.0
70.64474	3.0
76.03084	0.8
83.01260	6.9
91.13740	0.8
93.03340	2.2
95.04914	1.6
97.02819	5.1
107.04930	1.1
108.02069	2.0
109.02859	12.3
119.04956	1.1
121.02869	5.4
122.03638	5.2
123.04416	14.2
124.01538	1.1
125.02374	4.7
133.02853	1.4
135.04391	2.4
137.02336	11.2
139.03902	2.5
139.11227	1.0
146.03647	1.8
149.02344	10.9
150.03143	2.0
151.03947	5.7
152.09343	1.0
159.04408	2.0
161.02335	8.0
161.05988	5.3
162.03143	2.9
163.00314	3.2
163.03912	3.3
164.01077	3.9
164.04625	0.9
165.01855	11.2
165.05447	3.1
175.03940	2.0
177.01842	2.1
177.05516	3.2
178.37888	0.9
179.03439	1.5
185.06078	1.1
187.03922	3.6
189.02000	1.0
190.02664	2.4
191.03407	2.4
199.13332	1.1
200.94420	0.9
201.05508	1.6
202.06207	1.4
203.07101	4.8
204.00601	1.2
205.05042	10.0
221.08176	2.5
221.11877	2.0
229.05118	1.3
231.03062	1.5
239.12756	1.4
247.06082	7.2
288.06424	1.1
296.07733	1.0
301.10693	2.1
315.19641	2.1
317.20987	1.6
331.22787	1.6
333.20724	3.6
341.06506	1.5
353.53439	1.0
369.24475	1.0
375.21609	1.7
417.22913	1.6
419.24371	3.9
424.15042	2.0
429.22852	6.8
459.23785	1.3
519.27612	2.5
537.28711	7.3
563.26251	5.6
581.27551	100.0
582.27826	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64947	5.6
51.43436	5.7
59.01250	100.0
61.98719	34.9
71.01250	35.0
71.58461	7.9
73.02805	10.2
73.67702	6.2
74.19151	6.4
79.30466	5.8
83.01212	7.7
85.02795	13.7
87.04394	46.1
89.02328	15.3
93.03336	10.1
96.95907	25.9
99.00751	12.8
101.02341	19.9
108.02008	14.2
113.02345	13.4
125.02377	9.5
149.04483	10.1
149.05994	6.6
171.10295	11.4
173.04437	8.4
185.06062	18.3
186.06406	11.6
187.06343	6.2
191.05582	17.3
200.61092	7.0
211.13390	11.1
253.09302	24.5
291.19727	15.3
309.20630	11.4
343.24707	7.0
344.25195	26.0
345.25555	14.4
348.13574	6.8
512.18134	6.6
539.27124	14.5
581.29175	11.6
582.29523	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	581.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18170	0.7
53.28547	0.7
59.01241	2.8
69.03340	0.8
71.06766	1.7
71.07112	0.8
83.01255	5.2
88.86869	0.7
93.03349	2.4
95.04909	2.4
97.02846	4.8
107.04948	0.9
108.02048	1.8
109.02840	11.6
118.45482	0.8
119.04912	2.2
121.02847	5.2
122.03605	4.5
123.00779	1.0
123.04412	14.4
124.01567	1.6
125.02348	5.7
131.08578	1.0
133.06499	1.4
133.10104	1.6
135.04382	4.4
137.02351	10.4
138.03090	0.9
139.03917	3.2
139.11177	4.0
144.41885	0.8
145.02925	1.8
146.03580	1.3
147.04410	1.3
147.11696	1.7
148.01508	1.4
149.02344	10.2
149.05951	1.1
149.09618	3.5
150.02953	1.4
151.03912	3.5
159.04425	3.5
161.02383	9.2
161.05988	6.1
162.03133	3.6
163.00294	2.9
163.03929	10.3
164.01042	5.4
165.01833	9.3
165.05464	4.3
167.61636	0.8
175.03929	3.0
175.07484	0.7
177.05521	2.3
179.03427	1.3
183.10172	1.7
187.03976	2.1
188.04750	1.0
189.01846	2.0
190.02592	1.9
191.03374	1.8
191.48024	0.8
199.13333	6.1
201.05516	1.6
202.06279	1.1
203.03603	1.6
203.07057	3.3
204.07277	0.7
205.05020	9.8
219.13872	1.0
225.05600	0.8
229.05093	1.1
229.12305	0.9
230.05978	0.9
231.03008	2.8
247.06116	7.0
261.15106	1.3
299.20224	0.7
313.07285	0.9
317.21072	1.1
327.15775	1.1
337.14389	1.1
347.15021	1.4
360.15613	1.6
361.16547	2.6
375.21786	2.8
389.16058	2.8
417.22809	2.7
429.22797	6.1
457.21747	1.0
512.20245	0.9
519.27466	2.6
537.28595	8.4
538.29224	1.4
563.26410	2.0
581.27557	100.0
582.27966	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.3
59.01243	2.6
61.29533	0.6
71.01263	0.9
71.36269	1.2
81.03324	1.1
83.01257	5.8
85.12756	0.7
93.03330	2.5
93.42013	0.6
95.01276	0.8
95.04892	1.7
97.02821	4.7
108.02065	1.9
109.02130	1.0
109.02841	11.7
119.04899	1.7
121.02842	6.1
122.03630	4.7
123.00818	0.7
123.04422	15.1
124.01588	1.2
125.02335	4.9
131.08510	1.0
133.02863	1.2
133.06453	0.9
133.10117	1.8
135.04424	3.8
137.02344	11.2
138.03004	1.0
139.03885	2.7
139.11201	4.0
145.02876	1.2
146.03621	2.3
147.04396	1.8
147.11717	0.8
148.01576	0.9
149.02362	8.8
149.09615	1.8
150.03113	1.7
151.03923	3.5
151.36804	0.6
154.02580	1.0
159.04402	4.5
160.05153	1.0
161.02374	8.5
161.05992	6.3
162.03091	3.9
163.00235	2.0
163.03935	12.5
164.01093	5.4
165.01871	8.9
165.05573	3.8
172.99706	0.7
174.03163	1.0
175.03932	5.0
175.07655	0.7
177.01883	0.8
177.05487	3.6
179.03369	0.7
183.10188	1.2
187.03934	2.4
188.04688	1.7
189.01881	2.5
189.05479	1.0
189.12787	1.7
190.02615	1.9
191.03334	2.0
191.10614	1.0
199.13283	4.4
201.05634	1.3
202.06276	1.3
203.03395	1.7
203.07071	3.6
204.04240	1.0
205.04990	11.3
213.09134	0.6
217.05116	0.9
219.06578	1.6
219.13837	1.1
229.05086	1.0
231.02885	1.5
237.14931	1.0
243.06607	1.2
247.06059	5.9
278.68652	0.7
288.06433	1.8
303.15906	1.0
317.21246	1.4
331.22861	1.8
333.20499	1.2
337.14355	1.9
347.15146	1.6
348.15112	0.9
353.17575	1.5
360.15683	1.5
361.16382	2.4
362.17194	0.9
373.23859	1.1
375.21912	1.8
381.13464	1.2
389.16202	4.1
390.16833	0.9
417.22894	1.9
419.24152	0.9
429.22763	6.4
457.22302	1.6
459.24075	1.4
471.23758	1.1
512.20233	1.3
519.27533	2.6
537.28540	10.5
538.28821	1.6
563.26544	3.1
581.27539	100.0
582.27820	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	581.2242
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
51.13634	1.8
51.43443	2.1
53.68143	2.0
55.01746	2.3
56.76446	1.8
59.01257	43.5
65.08046	1.8
69.62503	4.9
69.62907	12.3
71.01246	27.5
72.99187	3.2
73.02821	2.7
83.01267	7.7
85.02820	6.4
87.00755	2.4
89.02320	21.9
95.01255	2.9
97.28204	1.8
99.00759	3.1
101.02330	21.3
109.02916	2.3
113.02313	9.7
115.03909	2.9
119.03408	10.1
123.00762	9.4
135.04420	7.5
137.02350	3.9
138.03119	15.6
138.68802	2.1
139.03951	4.7
143.03471	2.6
149.02318	2.5
150.03159	4.1
151.03859	1.8
153.05472	17.8
156.49626	1.9
159.04430	2.4
161.04459	2.2
165.05408	3.8
166.57263	2.1
175.03914	3.6
179.05565	2.9
187.03969	4.7
188.04701	2.8
189.05505	2.9
190.06184	4.5
191.07011	3.4
194.05824	3.0
202.06274	3.4
203.07089	5.5
205.08591	5.7
207.06558	2.4
208.03827	3.6
223.06053	11.7
229.53458	1.8
233.08160	14.3
277.00491	1.8
313.07404	2.3
317.16010	2.4
327.08673	3.7
329.06488	1.8
343.08359	2.5
344.08936	3.5
355.11926	5.5
358.10696	6.5
359.11374	12.9
371.11383	7.9
373.12866	14.2
386.13864	3.5
389.11911	3.4
389.16412	22.3
390.16605	3.4
401.15945	7.0
404.14767	7.6
405.15421	4.9
419.17209	45.8
419.22311	3.7
420.17499	5.2
480.71432	2.5
566.20062	8.0
581.22449	100.0
582.22931	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	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
57.03316	2.0
58.00462	3.9
59.01254	100.0
61.98699	1.3
66.63037	1.1
69.72508	7.6
71.01254	61.7
72.99182	6.2
73.02827	4.1
75.00745	7.3
83.01248	3.3
85.02827	14.2
87.00763	4.7
87.11472	1.1
89.02319	81.8
90.02651	1.3
93.03352	1.5
95.01267	3.1
96.95898	7.9
97.20839	1.0
99.00756	1.6
101.02322	37.8
102.52279	1.0
108.02093	1.1
109.02837	2.8
110.21178	1.1
113.02339	24.8
119.03387	31.1
119.37009	1.0
121.02845	1.9
123.00772	2.0
123.04478	1.5
124.01577	1.7
125.02322	3.4
131.03442	2.8
131.04883	1.3
135.04454	1.6
136.01566	8.1
137.02351	4.3
139.00215	1.2
143.03340	5.7
149.02354	4.0
149.04456	2.5
150.03146	1.4
151.00276	3.2
151.02834	1.5
151.03931	17.5
152.01010	1.4
152.04678	1.1
153.05380	1.7
159.04399	2.1
161.04492	5.3
161.05844	1.7
162.03116	1.7
163.03931	1.9
164.04691	1.3
165.05495	2.1
166.02641	6.2
167.03508	1.3
173.06044	1.2
175.02533	1.1
175.03882	6.3
177.01913	1.3
177.05524	5.1
179.05568	11.4
179.07002	2.0
181.04987	8.3
181.12288	1.9
187.04022	5.7
187.05406	1.1
188.04747	2.1
189.05573	2.3
190.06293	3.0
191.05542	2.5
194.05829	1.3
196.03659	1.4
202.06319	3.0
203.07112	2.3
205.05003	5.0
205.08676	1.6
208.03699	1.5
219.06593	2.9
220.07401	5.6
221.06004	1.1
223.06105	3.7
235.09705	3.0
281.08337	1.4
295.10333	1.6
296.10443	3.1
298.08713	1.3
311.09537	1.2
311.13092	2.6
313.11020	1.3
329.13928	11.9
329.22717	1.2
341.10269	7.5
356.12616	4.1
359.14880	5.0
371.10907	1.3
371.14978	3.8
389.16306	9.3
401.16064	39.0
402.16336	4.3
419.17148	5.1
505.26685	2.8
521.33112	4.2
537.18036	1.4
539.34930	1.1
581.22363	3.8
581.31396	1.9
582.20642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34836	0.3
59.01254	6.4
64.92386	0.3
69.57751	2.8
71.01263	2.3
72.07739	0.3
73.02826	1.0
75.00754	0.4
83.01252	0.4
85.02821	1.1
87.00751	0.3
89.02319	0.8
95.01280	0.4
96.29135	0.3
96.95886	1.6
99.00752	0.7
101.02319	1.2
109.02832	1.0
111.00715	0.4
113.02327	1.2
116.92738	0.7
119.04842	0.4
122.51502	0.3
123.04364	0.8
124.01566	0.5
125.02314	0.8
128.64622	0.4
135.04405	0.6
136.01532	0.6
137.02354	5.2
138.03073	0.6
139.00293	0.8
145.02846	1.7
147.04433	2.0
150.03107	0.8
151.00281	1.2
151.03922	5.3
152.01094	0.7
152.04672	1.2
153.01819	0.9
153.05540	0.6
161.02347	0.6
161.04471	0.6
161.06065	0.5
162.03102	0.7
163.03925	4.6
164.04556	0.6
165.01898	0.5
165.05525	0.8
166.02634	0.8
166.06244	0.9
167.03438	1.0
167.07004	0.4
173.02359	0.7
173.05969	0.6
174.03171	3.0
175.03923	15.2
176.04694	3.3
177.05577	2.2
179.03444	1.6
180.04205	8.8
181.04941	1.4
184.03690	0.4
188.04753	3.6
189.05510	6.5
190.06285	19.3
191.03487	0.7
191.05777	0.5
191.07063	13.1
192.04172	0.7
192.07422	0.4
192.26918	0.3
193.04994	9.2
194.05783	7.5
195.06303	0.7
198.05331	0.4
203.07022	2.0
205.08640	16.7
206.05879	0.4
206.09035	1.3
207.06573	7.8
208.07343	9.5
209.07782	0.4
221.08186	0.5
221.81387	0.5
222.08960	1.3
223.06129	0.5
223.09732	0.9
262.17337	0.3
269.04492	3.2
329.13983	1.3
341.13809	0.8
359.11145	0.8
362.13846	0.7
374.13626	2.1
377.16010	2.1
389.16071	100.0
390.16388	10.4
419.17224	2.5
521.26147	0.6
521.33612	0.6
581.15521	1.0
581.32001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49424	0.5
59.01252	14.2
61.98702	24.1
63.96100	1.6
63.99115	2.6
69.03332	0.8
71.01250	7.2
71.45914	0.7
71.46283	0.9
72.99195	0.7
73.02824	2.0
78.95773	5.0
78.98457	7.0
79.95609	10.3
80.96392	75.9
81.03348	0.8
81.96332	1.5
82.95975	4.7
82.96818	1.2
85.02818	3.9
87.00297	0.5
87.00721	2.8
94.97963	17.4
96.95883	2.7
96.97547	0.8
97.02849	1.4
99.00703	0.7
101.02281	2.7
106.97961	3.3
107.98506	0.6
122.97507	2.7
125.02328	3.0
127.03914	0.9
134.97484	5.3
136.99016	1.3
148.99040	7.1
152.98531	5.4
152.99548	1.4
164.98532	9.8
165.98834	1.7
166.98077	0.7
168.04271	1.3
198.19595	0.5
202.58640	0.6
206.99609	1.9
224.06789	0.5
225.00671	10.5
225.02705	0.7
226.00996	3.8
227.00237	1.1
242.08015	1.6
255.23218	0.6
279.23376	1.3
280.23697	2.1
281.24857	82.6
282.25211	7.2
299.04333	1.5
300.04831	1.2
333.65631	0.6
372.10806	0.5
506.32489	19.1
507.32837	2.9
553.52600	0.6
580.28784	100.0
581.28613	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01254	22.1
67.48560	0.7
69.03314	0.9
71.01261	11.3
72.99166	1.7
73.02822	5.2
83.01273	2.3
85.02828	5.6
85.12752	0.7
86.02312	0.8
87.00731	1.4
89.02325	4.8
91.01764	1.2
93.03342	22.9
95.01262	1.1
96.95885	6.5
98.19810	1.5
99.00769	4.5
101.02318	5.5
108.02057	23.7
109.02858	6.9
111.00712	0.8
113.02317	7.3
119.03439	1.0
121.02821	1.6
123.00789	1.0
125.02337	2.2
131.03465	0.8
134.03619	1.0
135.04382	1.7
137.02339	5.6
138.02667	0.9
143.03419	0.9
147.04420	1.4
149.05959	1.0
149.25887	0.7
151.00278	3.6
151.03902	2.9
152.00735	1.4
161.02354	1.8
161.04454	2.4
163.03905	1.0
166.02621	9.2
167.03023	5.2
168.03159	1.1
173.04468	1.1
175.03893	1.2
177.01846	1.1
177.05568	0.9
179.03372	1.5
181.04991	10.9
182.05356	4.8
183.05492	2.4
191.05542	2.5
193.04932	1.0
194.05714	1.3
201.05516	100.0
202.05872	6.0
209.08138	1.7
240.85840	0.9
377.29056	1.0
388.11557	1.3
389.11481	1.3
401.25391	1.1
404.13855	0.8
417.15302	3.8
418.15878	9.2
419.16275	10.6
477.14127	3.0
495.15128	10.2
496.15732	1.4
521.20325	1.3
521.33252	10.1
537.16113	17.8
538.16321	2.4
539.21252	2.1
539.34161	3.0
581.22711	1.6
581.32159	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	579.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.9
59.25177	0.6
61.98696	2.1
69.03315	2.1
71.01257	6.7
71.37780	1.5
73.02824	1.5
83.01254	1.2
83.04894	1.3
85.02831	2.7
86.74842	0.6
87.00772	1.5
89.02325	6.3
93.03355	0.7
96.95919	0.9
97.06482	0.8
99.08039	7.4
100.23637	0.6
101.02334	7.6
108.02067	2.2
109.02845	0.7
113.02335	3.7
119.03431	1.5
121.02833	1.7
121.10189	0.7
124.01008	0.5
125.02335	2.2
125.09602	2.4
131.03401	0.7
135.04440	0.7
137.02315	0.7
137.09610	0.8
143.03427	0.8
147.44635	0.6
151.03917	0.9
161.04489	3.3
165.09169	0.8
171.10172	8.3
175.11220	0.9
179.05440	1.1
185.06000	1.9
185.11664	0.8
191.05550	1.2
193.12282	14.7
211.13342	3.5
225.14912	21.0
226.15303	1.4
243.15982	8.3
253.09259	26.7
254.09598	1.3
271.94662	0.6
289.07333	0.8
293.21317	1.9
311.22162	1.1
343.24881	100.0
344.25223	9.4
387.79172	0.7
468.83481	0.6
537.20490	0.7
579.30670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16201	0.7
57.03307	1.4
59.00947	1.0
59.01251	19.0
61.98698	2.2
64.59418	0.5
69.03322	1.9
71.01254	6.9
71.59518	0.6
72.99194	1.3
73.02809	1.9
81.03300	0.6
83.01255	1.2
83.04904	1.4
85.02834	3.8
87.00758	1.8
89.02316	7.2
95.01263	1.0
96.95881	1.2
97.02841	0.9
97.06472	1.2
99.00756	0.8
99.08044	6.3
101.02333	7.6
102.02607	0.8
108.02057	3.3
109.02894	0.9
113.02324	4.9
119.03374	1.1
121.02869	1.2
121.10114	0.8
123.04380	0.6
125.02357	2.9
125.09598	1.8
137.02333	1.1
137.09573	0.8
143.03391	1.1
149.04512	0.6
149.13257	0.6
151.03917	1.0
151.11252	0.6
151.16025	0.6
161.04443	2.5
165.09071	0.9
171.10191	11.4
173.04449	0.8
179.05505	1.5
185.06032	6.7
191.05545	1.3
193.12292	11.2
197.15549	0.7
211.13356	2.3
215.28229	0.7
225.14926	16.7
226.15277	1.4
243.16046	6.1
253.09279	26.2
254.09662	1.0
270.26688	0.6
293.21289	1.6
343.24884	100.0
344.25198	10.5
405.24622	0.7
424.31705	0.6
447.16727	0.6
448.92960	0.7
450.04880	0.5
459.44058	0.6
495.27832	0.6
537.19788	1.5
579.30267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3386
Annotation	2-palmitoyl-trehalose
Peak:m/z	Relative Intensity
53.65125	0.2
55.01773	0.9
57.03322	1.2
58.00473	3.1
59.01253	52.3
60.01588	0.6
68.99691	0.3
69.03335	0.8
71.01257	53.7
72.01588	0.9
72.99184	3.1
73.02817	2.5
75.00758	0.8
80.96389	0.7
83.01263	6.8
85.02827	9.1
87.00755	17.9
89.02319	52.2
90.02655	0.8
95.01263	3.1
96.95904	0.6
97.02818	1.3
98.20574	0.6
99.00768	1.5
99.04362	0.3
101.02325	24.9
102.02654	0.6
107.03345	0.4
111.00754	0.6
113.02333	24.4
114.02683	0.7
115.03918	0.6
119.03395	19.2
120.03758	0.6
125.02358	1.8
126.93156	0.2
129.01820	1.1
131.03394	2.9
141.01860	1.4
143.03407	7.5
144.03746	0.4
147.27155	0.3
149.04468	2.1
159.02876	0.7
161.04462	8.9
179.05533	19.7
180.05894	0.6
203.05608	0.4
229.79892	0.3
237.22163	0.4
239.23819	0.4
251.23950	0.3
255.23274	100.0
256.21097	0.5
256.23621	7.4
267.23251	0.7
269.24854	12.4
270.25150	0.9
279.23288	1.1
297.24335	4.0
298.24756	0.3
309.24295	0.3
310.24884	0.3
313.23801	0.8
323.09839	13.2
324.10059	0.8
327.25269	0.6
341.10880	36.3
342.11185	2.5
579.34814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01292	0.8
59.01247	1.0
63.96112	0.9
70.91782	1.8
71.01256	8.0
73.02838	1.6
78.10033	0.7
78.98460	5.9
79.95605	11.6
80.96392	74.5
81.03327	1.4
85.02822	2.8
87.00764	2.6
94.97963	18.0
96.95873	3.3
97.02849	1.5
99.00767	0.9
101.02334	2.7
106.97972	2.7
122.97493	2.9
125.02334	3.1
127.03918	1.1
134.97475	4.4
136.99052	1.8
148.99040	5.6
152.98557	5.7
164.98546	12.4
167.00104	1.0
206.99617	3.1
225.00723	12.9
272.75620	0.7
279.23364	2.2
299.04398	3.0
368.86484	0.7
579.28436	100.0
580.28729	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66512	0.6
59.01239	1.1
61.48498	0.5
63.96105	1.2
69.03311	1.0
69.46590	3.7
69.47000	1.2
71.01248	9.3
73.02826	2.1
78.98466	7.4
79.95604	13.5
80.96391	85.0
81.03356	1.0
85.02832	2.5
87.00761	2.8
94.56407	0.5
94.97962	19.7
96.95870	1.1
97.02821	1.9
101.02341	3.3
106.97982	3.6
122.97473	6.6
125.02332	4.1
127.03925	1.2
134.97485	6.1
136.99028	1.7
148.99048	7.2
152.98544	7.8
164.98549	14.5
182.99626	3.1
188.06306	0.6
206.99605	3.9
220.65559	0.6
225.00706	20.1
226.00948	0.8
243.01686	2.2
279.23297	3.1
299.04471	2.9
425.90720	0.6
579.28412	100.0
580.28766	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	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69241	0.9
55.01759	1.2
57.03318	3.2
58.00465	1.9
59.01254	79.3
68.99653	0.9
69.03342	1.1
69.43365	2.3
69.43773	5.2
71.01255	33.0
72.99174	1.8
73.02829	14.9
81.03360	1.0
83.01260	3.1
83.04890	0.9
85.02821	10.5
87.00752	3.5
89.02325	22.1
89.64266	1.0
95.01260	2.5
95.61572	0.8
97.02827	2.9
98.03642	1.1
99.00159	1.6
99.00761	18.9
99.04395	3.7
101.02332	18.4
109.06493	1.5
112.01505	1.0
113.02337	21.4
114.91005	0.8
119.03378	7.0
123.08056	1.3
125.02322	2.9
125.09659	1.4
127.07584	1.0
131.03398	3.0
137.09602	1.5
138.06743	2.1
141.09145	5.6
142.09352	0.8
143.03407	2.7
149.04439	4.2
150.03140	2.0
151.11176	1.4
153.09154	7.0
159.02924	1.2
161.04454	8.1
163.11197	1.4
165.05534	1.3
165.09108	5.5
175.07559	1.4
179.05519	1.6
181.12285	1.3
189.12723	1.2
191.05554	3.7
195.06528	0.9
199.07617	1.3
203.05556	1.1
207.13850	4.9
215.07205	0.9
223.13405	1.2
225.05435	1.0
225.14932	8.9
241.14362	2.1
243.06590	6.3
243.15987	36.7
244.16414	2.2
245.09462	1.1
291.13013	0.9
307.22681	0.9
327.12436	2.7
344.52933	0.9
387.20251	30.8
388.20685	4.8
405.21301	14.0
406.21738	1.7
415.61884	1.0
447.22318	12.2
448.22885	1.4
519.24493	15.3
520.24902	2.5
537.17273	1.9
537.25543	36.6
538.25916	4.5
579.26563	100.0
580.17657	1.0
580.26819	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	579.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
55.13762	1.2
57.03328	3.6
58.00466	1.4
58.25006	1.2
59.01254	56.6
63.22238	1.2
69.03331	1.5
71.01257	45.5
72.01593	1.5
72.99184	7.7
73.02828	13.3
75.00761	1.3
75.01202	1.0
81.03330	2.6
83.01271	5.0
83.04873	1.3
85.02824	23.4
86.15714	1.1
87.00751	16.6
87.94550	1.2
89.02319	37.5
95.01280	5.0
96.95905	6.9
97.02831	5.9
98.03628	1.7
98.20582	2.2
99.00760	16.4
99.04411	4.4
101.02337	26.5
109.02847	2.6
111.00750	4.1
111.04404	3.7
112.01575	2.8
113.02334	38.9
119.03388	7.2
123.08075	2.1
125.02364	8.0
125.05913	1.3
127.03924	2.6
131.03400	5.2
135.04372	1.7
137.02390	3.4
137.09570	1.8
138.06789	1.9
141.09105	6.3
143.03413	5.1
149.04465	5.3
150.03131	2.2
153.09097	7.4
155.03398	3.4
159.02908	2.0
161.04457	10.1
163.11276	1.5
165.05502	2.3
165.09134	5.8
179.05522	2.4
189.12737	2.2
191.05551	3.7
195.06599	2.0
197.04468	1.4
201.05379	1.4
203.05687	1.8
207.13885	5.0
225.14984	8.5
229.67957	1.5
233.06847	1.4
241.14525	3.8
243.15996	40.0
244.16370	3.4
339.12372	1.8
362.41257	1.6
405.21356	16.4
447.22195	2.0
501.22852	1.3
519.24463	89.9
520.25006	9.8
537.25531	100.0
538.25726	15.6
579.18097	1.7
579.26251	7.0
580.27954	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	579.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23014	15.1
59.01245	100.0
64.15580	15.8
71.01252	48.0
71.58697	19.5
87.00730	23.6
93.03352	63.9
96.95881	19.1
108.27162	16.0
109.02821	20.1
113.02330	20.5
114.22897	14.2
125.02379	22.5
135.04422	26.7
137.02380	19.6
146.03812	15.5
171.10196	20.2
173.04475	27.8
191.05478	31.8
274.00937	19.3
307.19131	61.8
449.15256	22.9
455.97351	18.6
488.04944	20.6
579.25879	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	579.2082
Annotation	Stecholide L
Peak:m/z	Relative Intensity
51.20570	0.4
55.01756	1.3
57.03341	1.1
58.00468	0.7
59.01255	68.9
60.01574	0.5
61.98719	0.8
69.03308	0.7
71.01260	13.9
71.01659	0.7
71.58032	0.6
72.99199	0.9
73.02824	7.6
73.32872	0.5
83.01263	3.2
85.02824	6.8
87.00773	1.6
89.02324	5.0
93.03358	0.9
95.01271	0.8
96.95869	0.7
97.02869	1.4
99.00759	5.6
101.02322	6.9
108.02058	58.7
109.02402	1.6
113.02345	5.9
119.03388	0.7
121.10160	0.6
123.04403	0.6
125.02332	2.8
129.07007	0.5
131.03395	1.1
135.04507	0.5
137.02365	0.6
143.03398	1.2
149.02376	0.6
151.03906	0.6
157.06537	2.4
159.02934	1.0
161.02350	0.5
161.04465	5.5
171.10193	7.8
184.05209	0.8
185.06010	100.0
186.06366	5.9
188.43440	0.5
191.05504	1.8
203.05588	0.5
209.11790	1.1
209.48596	0.4
219.08725	1.4
223.06015	1.3
227.12849	0.5
253.09271	4.0
339.12360	1.0
343.24875	17.6
344.25226	1.5
345.33649	0.5
351.12823	3.5
387.14413	1.7
393.14020	3.6
405.15521	7.9
405.24771	1.2
406.16281	1.0
447.16656	1.8
537.19824	23.8
537.27704	1.0
538.20062	3.6
579.20752	13.7
579.30103	2.7
580.21008	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	579.2089
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.83670	0.5
54.68031	0.5
57.03316	0.7
59.01260	7.0
59.84697	0.5
68.41794	0.5
69.34588	4.6
69.35002	0.9
71.01254	3.6
73.02815	1.6
81.03296	0.7
85.02824	1.9
89.02306	1.3
96.95878	1.1
98.19803	1.0
99.00726	0.5
101.02319	3.1
109.02832	3.7
109.52498	0.6
111.00815	0.5
111.38201	0.5
112.98443	0.5
113.02319	1.6
119.03366	0.6
119.04901	0.5
121.02828	2.5
123.00749	2.5
123.04451	0.6
124.01631	0.6
125.02336	1.4
131.52791	0.6
135.04433	3.4
137.02347	10.8
139.00279	0.5
139.03850	0.9
147.04372	0.7
149.02263	1.0
149.06020	1.1
150.03096	0.6
151.00278	20.3
151.03893	2.1
152.01012	2.5
152.04703	2.8
161.04453	1.1
161.51538	0.5
163.03801	0.8
164.04706	0.7
165.01819	1.3
166.02631	61.2
167.03224	3.9
173.02330	0.6
175.03923	1.0
177.01939	2.9
179.06982	0.6
181.04991	72.1
182.05324	3.7
184.03793	1.3
185.80078	0.7
190.06265	0.8
191.03342	0.7
192.04187	0.8
193.05003	1.6
195.03012	0.5
205.05028	1.2
205.08531	1.2
207.06628	1.1
209.04533	0.8
329.10294	0.7
331.11810	2.5
341.10312	0.8
357.13318	0.8
359.11325	1.3
375.27200	0.6
379.21039	0.5
387.10876	14.5
388.11172	1.3
402.13132	6.9
403.13412	0.8
417.15543	100.0
418.15927	11.8
519.31689	2.7
537.33374	1.2
579.16461	0.7
579.31177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10624	2.2
57.03331	4.8
59.01253	96.2
60.01580	2.8
60.70163	3.2
65.03854	2.5
69.03329	2.6
70.30715	4.7
70.31137	7.4
71.01256	39.9
72.99181	6.3
73.02824	13.8
75.00772	6.0
75.77483	2.4
83.01268	7.6
85.02830	17.9
87.00754	5.1
89.02328	21.7
91.05407	14.2
91.96957	2.4
93.03355	7.1
96.95907	15.8
97.02834	5.2
99.00774	10.5
101.02328	27.1
106.34666	2.6
107.06183	2.5
109.02846	36.3
111.00737	3.6
113.02341	19.3
119.03391	7.1
119.04903	12.1
121.02851	65.9
121.06419	3.0
122.03667	2.7
123.04448	3.4
125.02374	7.5
131.03496	4.0
133.02823	2.9
135.04417	100.0
136.04797	5.5
137.02347	12.2
138.03085	3.1
147.04413	13.9
148.05241	2.6
149.02368	3.8
149.05981	6.3
150.03154	5.6
151.00299	10.1
151.03938	8.3
152.04744	5.1
153.01970	3.3
159.03139	2.8
159.04416	4.6
161.04517	6.9
163.00357	2.9
163.03899	5.2
164.04681	20.9
165.05510	17.3
167.03410	11.5
175.03905	3.2
176.04724	10.6
177.01872	4.1
177.05470	5.1
179.05562	3.8
179.07047	5.9
180.04230	6.1
181.05066	3.0
182.05698	2.8
183.06529	4.4
191.05498	10.2
191.07127	14.7
193.05017	8.9
194.05775	16.4
195.06573	26.9
209.08200	17.2
217.05170	2.7
221.08200	10.2
255.02867	2.6
271.06100	22.2
272.06308	3.1
285.03952	15.1
299.09232	6.1
301.10913	10.5
310.18961	3.0
313.11026	3.5
313.14478	8.8
316.09586	2.6
319.42032	2.4
331.07993	3.8
331.11899	72.1
331.15292	2.5
332.12372	3.4
343.21317	4.6
345.13477	3.2
357.26389	3.1
399.23914	4.0
402.12988	3.3
417.15475	9.0
501.11688	3.1
505.17422	5.8
518.27277	4.0
519.25024	3.0
519.32050	19.9
535.18018	29.5
536.28210	2.9
537.33185	3.9
579.13708	3.8
579.30432	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	579.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29742	0.5
57.03326	0.9
59.01252	19.6
60.79905	0.5
65.03825	4.5
67.01758	2.5
69.03295	0.5
71.01254	6.9
71.59389	1.0
72.99174	1.9
73.02821	3.6
75.00751	0.6
81.03318	0.9
83.01249	0.8
85.02815	4.5
87.00767	1.3
89.02324	2.3
91.01205	1.0
91.01772	19.2
93.03322	1.7
95.01256	1.5
96.95921	1.2
97.02831	0.8
99.00758	2.7
101.02345	2.7
107.04924	0.7
108.02052	1.9
109.02834	78.7
110.03167	1.9
111.00728	0.6
111.04393	0.6
113.02333	7.0
119.03457	0.6
119.04924	2.8
120.05305	0.5
121.02855	6.9
122.03706	0.6
123.04392	3.9
125.02317	1.9
131.03441	0.6
131.04898	0.8
133.02850	2.0
135.00775	33.9
135.04399	1.8
136.01169	1.0
137.02335	8.4
143.03400	0.9
143.04939	0.5
145.02844	0.6
147.04437	3.9
148.01572	3.3
149.02353	1.7
149.05960	2.0
150.03203	0.6
151.03922	3.7
152.04694	0.5
153.01839	28.4
154.02199	1.0
159.04414	1.0
161.02403	1.2
161.04416	1.1
161.05988	1.4
162.03099	0.6
163.03891	2.0
165.05501	2.4
167.03400	0.9
173.04553	0.8
173.06030	1.9
175.03899	2.7
176.01176	0.6
177.01848	3.0
177.05504	2.2
179.03400	0.7
187.03934	1.2
189.05357	0.7
191.03365	1.4
191.05434	0.7
193.04965	1.2
205.05063	3.2
217.04993	2.6
219.02930	0.5
223.06027	1.5
241.08669	0.5
272.08789	0.5
274.39334	0.5
339.07343	1.2
357.08417	0.7
375.27402	1.5
385.11270	4.1
429.10297	0.8
471.11401	100.0
472.11710	9.3
488.04608	0.6
519.31329	1.7
537.18695	0.9
579.34308	3.8
601.83844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47169	1.1
57.03312	1.0
59.01254	16.7
70.00360	4.4
71.01255	8.6
73.02811	2.8
81.03319	3.8
83.01240	1.9
85.02823	4.4
89.02318	4.3
91.01765	1.3
93.03345	2.1
95.01244	1.6
95.04897	2.1
96.95888	2.1
99.00729	3.8
101.02306	6.0
101.23548	0.9
105.03350	1.4
107.04920	1.6
108.02055	3.1
109.02809	3.6
113.02325	4.8
119.01243	2.9
119.03391	1.1
119.04926	8.6
121.02822	3.6
122.03605	1.3
123.00752	2.6
123.04409	35.1
124.01552	4.3
125.02348	1.7
133.02800	3.2
135.04416	6.8
136.01566	5.4
137.02345	71.6
138.02632	1.3
139.03857	4.6
147.00787	1.6
147.04401	3.4
148.01497	3.6
149.02351	13.4
149.05925	1.9
150.03142	10.4
151.03918	89.8
152.04712	52.5
153.05057	2.0
161.02274	2.0
161.04416	2.5
161.05899	2.0
163.03906	2.2
164.04697	7.1
165.01805	1.3
165.05470	16.5
167.03339	1.5
167.06981	3.7
175.00275	18.1
176.01067	32.4
177.01874	8.2
178.02658	6.0
179.03232	1.4
179.07034	3.2
181.04575	1.0
189.01855	1.3
190.02650	42.1
191.03426	42.0
191.05266	1.4
192.03839	2.0
193.01334	1.5
193.05014	6.7
194.02122	3.5
195.02931	8.7
196.03709	100.0
197.04062	3.9
205.05003	33.5
206.05502	2.2
207.02913	1.3
207.06552	1.8
208.03728	1.1
209.04498	12.3
210.05147	3.1
211.06068	32.7
212.06326	1.6
218.02167	1.2
223.06044	8.3
225.07599	3.3
251.05563	3.8
255.79240	1.0
285.11282	4.9
353.08774	53.7
354.09058	4.2
367.10349	21.8
368.10431	2.3
373.11380	9.6
399.23697	1.1
417.24463	1.0
519.31952	5.4
537.32715	2.1
547.14563	43.1
548.07385	1.0
548.14685	5.2
564.14832	11.0
565.14740	1.5
579.17078	63.0
579.31372	3.3
580.17365	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	579.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02291	0.4
53.86106	0.3
55.01761	0.5
57.03320	0.6
58.00447	0.4
59.01252	11.4
61.33858	0.3
61.98699	0.5
68.99699	0.4
69.03328	21.1
70.03671	0.4
71.01258	7.1
71.38771	0.4
72.99195	1.1
73.02821	3.6
75.00745	1.2
79.01743	2.0
81.03313	1.7
83.01275	0.9
85.02826	4.6
87.00753	1.2
89.02335	2.7
93.03352	0.4
93.76034	0.4
95.01255	2.7
97.02184	0.3
97.02334	0.2
97.02827	13.8
99.00751	5.5
101.02323	3.3
107.01264	10.0
108.02053	45.4
109.02872	8.1
113.02321	6.8
119.04919	0.4
121.02831	1.9
123.00764	3.8
123.04401	0.6
125.02340	29.2
126.02673	0.9
131.03409	0.6
133.02959	0.5
135.00780	35.3
135.04398	0.8
136.01129	0.7
137.02328	1.9
143.03401	0.4
145.02849	0.7
149.02328	0.7
149.04459	0.4
151.00267	11.5
151.03960	0.9
152.01057	100.0
153.01631	4.9
155.03448	0.6
161.02356	0.6
161.04517	0.7
163.03899	1.8
165.01904	0.6
175.03934	0.4
177.01816	2.0
179.03339	0.5
191.03384	0.4
191.05548	1.9
197.05989	1.5
203.05588	0.4
207.02957	0.6
219.02913	0.4
242.05798	10.3
243.06589	57.0
244.06902	3.8
285.07700	0.9
339.07333	0.8
342.23560	1.1
357.08310	4.3
387.10605	0.8
405.11987	2.3
411.09232	1.3
413.07596	0.4
429.10355	15.3
430.10999	1.3
447.12970	10.7
448.13147	1.0
471.11404	52.6
472.11755	4.5
519.15161	3.3
535.31366	0.7
537.16095	11.6
538.16418	1.5
579.17169	9.3
579.33124	1.3
580.17487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90201	0.2
52.01289	0.3
58.00462	0.4
59.01250	15.3
60.01626	0.3
61.91525	0.2
61.98697	0.3
65.00182	0.6
67.01767	0.5
67.56190	0.3
69.03334	1.0
71.01254	8.3
71.45683	0.5
72.99176	0.6
73.02826	0.9
80.02572	0.6
81.03320	1.6
85.02821	0.7
89.02318	10.9
90.76668	0.3
91.01769	16.4
92.02080	0.5
93.03355	1.8
95.01259	1.4
97.02837	1.0
97.06491	0.3
99.00747	0.5
101.02330	1.4
107.01266	1.0
107.04928	0.8
108.02052	21.0
109.01669	0.4
109.02859	5.6
110.03146	0.3
113.02343	1.3
117.35891	0.3
119.03410	0.2
119.04911	0.3
119.34187	0.3
121.02840	1.1
123.00768	7.2
124.01541	0.8
125.02346	0.4
131.03369	0.4
135.00778	15.9
135.04404	0.4
135.74063	0.2
136.01138	0.4
137.02359	3.4
149.02383	1.4
149.04451	0.4
151.00301	2.1
152.01059	20.4
153.01569	0.6
161.04483	0.4
161.05930	0.4
163.03970	0.3
171.10147	0.9
177.01808	1.0
179.07057	0.3
191.05568	0.4
193.12254	0.4
197.06053	1.6
199.07512	0.5
213.05507	1.2
215.07095	1.1
222.76274	0.3
225.05446	0.3
225.14890	0.9
241.05093	0.6
242.05850	2.9
243.06596	100.0
244.06950	6.4
244.09514	0.6
246.70932	0.3
253.09225	1.1
285.07675	0.4
341.22946	0.3
342.23434	0.6
343.24869	4.4
357.26477	0.7
387.10806	2.4
388.10989	0.3
405.11673	0.5
447.12967	13.3
448.13306	1.6
465.06281	0.3
471.11502	2.2
519.15070	0.8
519.31720	0.7
537.16101	2.9
579.17151	48.6
580.17499	7.1
584.22858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21246	0.4
59.01254	17.2
70.12358	1.4
71.01250	1.2
78.95779	6.0
78.98473	0.7
79.95597	1.7
80.96400	11.2
82.95974	0.9
85.02827	0.5
94.97984	2.1
96.97506	0.3
98.19916	0.4
98.57425	0.3
101.02347	0.4
106.97971	0.6
117.18278	0.3
122.97459	0.4
125.02320	0.4
148.99025	0.6
152.98453	0.6
152.99480	1.0
163.84697	0.3
164.98535	1.1
168.04210	1.2
224.07030	0.8
225.00673	1.8
226.00867	0.4
242.08015	2.5
279.23297	100.0
280.23639	9.8
392.26654	0.4
504.30997	22.9
505.31558	3.1
578.27252	14.6
578.36578	0.6
579.26990	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	579.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09454	2.1
57.03306	2.6
59.01251	4.1
62.17906	2.3
69.30003	26.9
81.03294	3.1
83.01240	2.9
89.02304	2.5
95.04900	4.5
97.02857	3.9
98.20571	4.0
109.02837	18.1
110.03138	2.7
121.02899	2.8
123.04388	15.3
125.02359	13.9
129.83099	2.4
137.02364	13.2
144.87419	2.3
149.02396	3.3
151.03929	6.1
160.05067	3.6
164.01064	3.3
165.01842	3.3
179.03348	5.6
187.03952	4.6
188.62106	2.3
203.07114	9.4
205.04993	7.5
221.08142	2.8
245.08150	10.9
289.07162	100.0
290.07425	5.4
297.11264	2.6
327.12662	2.8
401.84995	2.5
430.44202	2.4
440.36160	3.2
586.34894	2.5
596.79169	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	579.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
57.03333	2.7
58.00467	2.7
59.01252	74.2
61.98702	4.3
69.38700	20.1
71.01260	31.7
72.99181	2.2
73.02816	16.2
83.01270	3.8
85.02831	13.1
87.00758	5.5
89.02328	13.8
93.03351	5.1
95.01285	2.6
96.95921	7.9
99.00776	10.5
101.02324	16.4
109.02828	3.4
111.00784	3.4
113.02338	14.4
119.04937	3.2
123.04420	7.2
125.02366	6.7
133.02800	2.7
134.03670	2.8
137.02385	7.4
149.02344	3.9
149.04535	2.8
151.03940	3.8
161.04535	4.5
167.03357	3.3
177.01892	2.9
184.05222	77.1
185.05885	4.5
189.01898	6.4
190.02673	2.5
191.03432	2.4
191.05638	7.8
196.03783	3.4
199.07574	68.1
200.08015	2.9
217.01430	3.1
341.06628	11.9
349.63321	2.6
356.25653	2.3
357.26428	6.8
373.25909	5.4
374.26282	4.1
375.27463	24.7
493.17328	10.0
519.22675	6.6
519.32007	14.2
535.18384	12.5
535.31287	3.0
537.23779	4.0
537.32837	9.6
550.27100	2.3
562.89240	2.7
578.32782	13.2
579.33887	100.0
580.34406	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	577.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	17.9
61.95726	0.7
71.01237	3.6
80.96413	1.6
87.37042	0.6
89.02320	1.8
93.27459	0.7
101.02312	2.9
113.02322	1.7
119.03364	1.5
153.05492	1.2
161.04462	1.2
209.11798	1.3
235.08243	1.2
253.09242	12.6
254.09645	1.4
277.21793	1.1
281.24866	100.0
282.25250	11.9
293.21344	1.2
323.21786	0.8
577.29791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
59.01255	2.4
69.68391	1.0
70.16366	4.7
74.15952	1.1
91.05295	1.0
97.02821	1.6
97.06460	2.3
99.00750	7.9
102.54163	1.1
110.08684	1.1
125.09592	4.8
138.93796	1.0
154.58894	1.0
163.11176	4.1
181.12228	9.4
199.13319	16.8
207.10204	14.5
225.11293	39.0
226.11673	2.1
238.21906	1.2
243.12340	10.7
259.20493	1.2
277.21729	100.0
278.22079	6.8
299.14859	6.7
317.16034	13.4
577.37494	33.5
577.43024	7.6
578.36536	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	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97178	0.4
59.01252	4.6
61.98705	100.0
63.96096	0.5
65.95955	0.4
65.96407	0.4
67.39827	0.5
69.31706	1.4
69.32118	3.3
71.01263	3.5
73.02827	0.7
78.98460	2.4
79.95599	3.3
80.96394	24.2
85.02834	1.7
87.00778	1.2
89.02312	0.8
94.97965	5.4
96.95874	0.7
101.02348	1.7
106.97984	1.6
122.97458	0.9
125.02363	0.7
134.97510	1.8
136.99057	0.6
148.99060	2.2
152.98515	2.3
164.98578	3.9
206.99667	0.7
225.00742	6.1
253.09348	1.0
254.09587	0.5
255.09763	1.1
256.10040	0.8
270.69571	0.5
279.23294	8.8
280.23645	12.7
281.23935	8.8
282.24249	4.4
299.04361	1.3
431.78351	0.5
490.82446	0.5
553.41840	0.5
579.28412	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89799	0.3
55.77262	0.4
59.01252	3.6
60.01572	0.4
61.01671	0.6
61.98704	100.0
71.01234	0.9
71.16200	0.8
78.95809	0.6
80.96404	1.0
89.02308	0.4
94.38226	0.3
96.95892	3.9
101.02332	0.9
133.86115	0.4
245.04169	0.5
253.09236	0.9
254.09724	0.9
255.09836	1.0
255.23293	0.4
279.23306	5.9
280.23654	10.3
281.23953	6.0
282.24231	3.0
404.18442	0.4
517.74805	0.4
579.28827	0.6
603.90149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	16.3
63.09535	0.7
63.38448	0.8
66.51428	0.6
69.67355	3.8
69.67783	1.7
71.01261	5.5
73.02828	1.3
74.20450	0.7
80.96389	1.0
85.02837	1.7
89.02320	4.4
101.02328	4.6
113.02335	2.0
119.03355	1.3
161.04399	1.6
201.11383	0.7
235.08228	1.4
253.09277	19.9
254.09679	1.0
281.24866	100.0
282.25174	10.5
331.14694	0.8
556.07159	0.7
577.26990	2.0
587.16473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36579	0.4
55.01768	0.5
57.03312	1.5
57.70192	0.4
58.00468	0.7
59.01254	21.4
61.98694	0.9
69.03318	2.3
71.01255	10.3
72.99181	1.1
73.02818	4.5
75.44534	0.4
81.03327	0.6
83.01245	1.6
83.04894	1.0
84.02052	4.6
85.02837	3.8
87.00742	1.8
88.98676	1.2
89.02326	7.0
91.05387	0.4
93.03333	2.2
95.01263	1.1
95.04916	0.5
96.95878	0.6
97.02826	1.9
97.06473	6.4
98.20557	0.8
99.00763	5.1
99.04378	1.4
101.01704	0.5
101.02327	9.5
107.04959	0.4
109.02834	1.5
111.00742	0.8
111.08046	0.5
113.02339	5.0
116.94370	0.4
119.03401	1.4
119.04909	4.9
119.08557	0.8
120.05218	0.4
121.02851	12.1
123.04387	0.8
123.08005	0.5
125.02367	2.5
125.09615	1.7
127.11160	0.8
131.03401	1.2
135.04417	6.7
135.07985	0.4
137.02374	2.3
137.09584	0.4
148.05261	0.8
149.04433	1.5
149.13281	0.6
151.03891	1.6
151.11185	0.6
152.04649	0.5
155.10716	0.5
159.02927	0.4
159.04294	0.5
161.02356	0.6
161.04488	4.0
163.07558	1.2
165.12794	0.5
169.64848	0.4
171.08752	0.9
171.10184	16.6
172.10518	0.7
173.04527	0.9
175.11237	1.0
179.05516	1.5
179.07066	2.7
183.13794	0.8
185.11740	1.0
191.05562	3.9
193.05038	0.4
193.12282	10.9
196.03624	2.0
203.05537	0.5
209.11768	0.4
211.05980	0.9
211.13341	1.9
221.11809	1.4
223.11208	0.5
225.14915	13.8
226.15353	1.1
233.11775	0.7
234.39821	0.4
239.12849	0.4
241.08717	2.1
243.15997	6.1
251.12831	1.2
253.09270	25.6
253.14503	1.4
254.09659	1.2
289.07135	0.9
290.99280	0.4
291.19647	1.6
302.29388	0.4
305.21320	0.5
323.22211	0.8
341.23315	100.0
342.23697	9.2
355.25009	0.5
373.16406	3.5
374.17395	0.5
407.07870	0.7
413.14423	0.7
455.15372	1.4
517.30286	3.2
577.22723	2.9
577.31921	3.9
578.23230	0.5
578.32452	0.7
578.82965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54568	0.3
55.01751	0.5
57.03314	1.0
57.98347	0.4
58.00475	0.7
59.01252	13.1
68.99694	0.4
69.03324	2.3
69.82005	1.7
69.82424	0.7
71.01254	7.9
72.99187	0.3
73.02834	1.8
75.00744	0.5
81.03310	0.5
83.01256	1.1
83.04881	0.9
84.02036	1.4
85.02827	2.8
87.00758	1.1
89.02312	5.7
89.02826	0.4
93.03339	0.6
95.01266	0.7
95.04887	0.6
97.02821	0.6
97.06465	9.7
99.00764	0.8
99.04401	0.8
101.02320	6.2
109.02830	0.9
111.00703	0.4
113.02330	3.6
119.03388	1.2
119.04910	2.4
121.02831	2.1
123.00803	0.4
123.04449	0.7
123.07999	0.4
125.02353	1.5
125.09612	1.6
131.03380	0.5
135.04385	0.7
136.01523	1.1
137.02342	1.3
137.09601	1.1
143.03351	0.4
149.13277	0.3
151.03894	1.4
151.07556	0.4
151.11156	0.5
158.03748	0.3
161.04453	3.2
163.03986	0.5
163.11186	0.5
165.12766	0.5
166.02625	1.2
171.10178	5.7
173.04469	0.8
175.11195	0.6
177.12846	0.5
179.05536	1.1
181.04964	1.4
183.13824	0.5
185.11787	1.0
191.05479	2.1
193.12263	11.9
194.12598	0.5
197.11806	0.3
197.15419	0.7
209.11621	0.4
211.13356	2.4
221.11853	1.0
225.14920	17.1
226.15256	1.0
243.15967	7.5
244.16389	0.7
251.07553	0.9
253.09253	27.0
253.14578	0.9
254.09680	0.9
289.07108	0.7
291.19714	1.0
341.23303	100.0
342.23676	9.5
355.24768	0.6
358.14133	0.6
373.11676	0.7
373.16486	5.4
374.16867	1.2
407.07690	0.6
517.30994	0.3
535.18738	0.7
577.31903	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	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.0
63.96098	1.2
70.20762	1.9
70.21157	1.6
71.01250	7.9
73.02821	1.7
78.98462	7.5
79.95609	9.5
80.96396	76.3
85.02826	3.4
87.00751	3.2
94.97968	18.0
96.95904	1.1
97.02827	1.9
101.02341	3.1
101.09196	0.7
106.97932	3.9
113.02216	0.8
122.97484	6.1
125.02336	3.0
134.97446	4.6
136.99048	1.9
148.99086	7.3
152.98550	7.6
164.98552	12.6
182.99626	3.3
206.99651	2.9
225.00714	20.0
243.01726	1.0
249.30659	0.7
277.21732	2.2
299.04465	1.9
577.26862	100.0
578.27081	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	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60639	0.5
59.01249	1.8
61.98706	14.3
63.96110	1.3
65.79468	0.5
69.03314	0.8
70.27569	1.1
70.27959	1.7
71.01253	9.0
73.02821	1.8
78.98454	7.7
79.95171	1.1
79.95608	14.3
80.96393	89.8
81.03337	0.8
83.01235	0.6
85.02829	4.1
87.00740	3.4
94.97968	19.4
94.98573	1.2
95.01296	0.7
96.95885	1.2
97.02854	1.3
99.00774	0.6
101.02327	2.3
106.97980	3.5
122.97496	4.3
125.02364	3.4
127.03956	1.1
134.97469	6.6
136.99040	2.3
138.25880	0.6
146.97601	0.7
148.99059	6.7
152.98563	6.4
164.98547	11.9
206.99655	2.7
225.00713	14.8
277.21725	1.4
278.22226	0.8
279.23157	1.9
299.04346	3.3
310.76501	0.7
315.50452	0.6
418.12555	0.6
418.18579	0.6
577.26874	100.0
578.27191	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29293	0.5
57.92664	0.5
59.01243	0.7
63.33289	0.5
63.96108	1.7
70.20134	1.0
70.20534	1.3
70.65611	0.7
71.01256	8.7
73.02813	2.2
78.98463	8.7
79.95609	10.5
80.96391	78.6
85.02808	3.0
87.00739	3.0
94.97958	17.5
96.95905	1.0
97.02847	2.1
101.02298	3.5
106.97974	3.4
115.92044	0.6
122.97459	6.0
125.02325	2.9
127.03904	1.3
134.97461	5.5
136.99028	1.5
148.99065	5.8
152.98528	9.3
164.98547	12.0
182.99648	2.6
201.82385	0.5
206.99580	3.6
225.00693	18.1
243.01735	1.6
277.21735	2.2
299.04398	3.0
381.11414	0.8
577.26855	100.0
578.27155	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	577.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.8
57.03318	1.9
58.80579	0.5
59.01251	15.2
61.98694	1.1
69.03320	1.0
69.90083	3.2
71.01254	35.5
72.99190	1.0
73.02818	13.2
75.00763	0.7
81.03329	1.1
83.01245	3.1
83.04896	5.0
85.02822	11.8
87.00761	2.0
89.02316	8.2
93.03310	4.1
95.01255	2.0
95.04932	0.9
97.02824	0.9
99.00100	0.8
99.00754	17.9
101.02319	19.1
111.04464	0.6
113.02325	15.9
117.37826	0.7
119.04914	79.3
120.05288	1.9
121.06449	0.7
125.02319	2.9
129.57304	0.6
131.03400	1.9
131.04950	1.0
132.05695	1.4
133.57269	0.6
134.03564	1.3
143.03419	3.3
151.11179	15.1
158.07297	0.7
159.02866	2.9
161.04468	29.4
171.10191	0.6
173.04483	1.2
177.12790	2.5
191.05553	4.0
192.04219	0.9
205.03506	0.8
214.09975	3.3
215.10812	1.4
283.17026	100.0
284.17346	9.3
293.08749	1.5
330.87137	0.7
369.07837	0.7
403.17538	0.9
445.22098	1.6
577.26483	42.4
578.26752	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	577.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
55.32247	0.7
57.03323	4.4
58.00471	2.0
59.01253	100.0
69.60332	6.0
71.01254	31.8
71.04884	1.0
72.01579	0.8
72.99191	2.8
73.02823	6.5
75.00755	1.1
82.92553	0.7
83.01267	3.1
83.04911	1.3
85.02822	8.9
87.00759	16.2
89.02320	30.0
93.03373	1.2
95.01273	2.8
96.95904	7.1
98.19827	1.8
99.00760	3.7
101.02317	19.6
109.02806	1.3
111.00777	1.7
113.02337	15.0
113.03086	1.5
113.66470	0.8
119.03396	14.0
119.04875	1.5
121.02843	2.4
123.04383	1.8
125.02334	5.5
129.01875	3.8
131.03406	1.2
135.75392	0.8
137.02303	1.8
143.03412	3.0
147.02919	1.9
149.02383	1.1
149.04445	1.6
150.03114	1.0
151.03925	2.5
161.02380	1.9
161.04501	3.8
161.05707	0.8
161.09663	1.5
161.13239	0.9
163.11331	1.0
175.03873	1.0
179.03430	1.3
179.05513	5.6
187.11159	1.0
189.09135	0.8
191.05522	1.6
193.04909	1.0
194.05769	1.0
198.49156	0.8
202.24704	0.9
203.10785	0.8
205.12263	1.1
207.10307	1.3
209.07957	0.9
218.78711	0.7
223.13351	52.2
224.13736	3.1
227.07130	0.8
267.12372	19.6
268.12622	2.1
277.04993	1.4
289.07059	2.3
309.08282	38.0
310.08636	1.9
327.09366	10.8
327.12982	1.3
369.72485	0.8
373.16748	1.3
407.07880	1.7
517.27161	1.7
533.15930	2.2
535.27338	1.8
577.21521	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	577.1354
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
51.78530	1.0
57.03324	14.1
59.01257	6.7
69.25750	12.1
71.01266	3.2
73.02840	1.3
83.01241	5.4
85.02827	1.3
89.02338	1.3
93.03349	2.1
95.04942	1.4
95.21108	0.9
96.95878	1.3
97.02862	2.7
98.20541	2.0
101.02312	2.1
107.04920	1.2
109.02833	17.4
113.02317	2.6
119.03384	1.8
121.02859	3.4
122.03691	1.2
123.04402	10.7
125.02341	100.0
126.02708	1.3
131.04912	1.3
133.02849	3.9
135.04433	2.8
137.02353	22.5
137.03329	2.1
139.03932	2.8
145.02888	1.2
147.04422	1.3
149.02356	4.2
150.03084	1.5
151.03922	10.2
154.45918	1.1
159.04434	2.3
160.05247	1.5
161.02351	23.3
161.05966	3.0
162.02995	2.6
163.03961	2.7
164.01054	3.8
164.74774	1.0
165.01830	4.6
167.03407	1.3
175.03923	6.8
175.07574	1.6
177.01865	4.9
177.05521	1.2
179.03409	2.8
187.03952	5.3
188.04680	2.6
189.05412	1.2
191.05583	1.4
201.05525	1.2
203.03496	1.4
203.07086	5.9
204.78009	1.0
205.01355	1.6
205.05023	5.9
213.05563	1.6
215.03477	1.5
215.07072	1.2
221.08138	1.7
227.07085	1.1
229.04971	2.7
243.02951	1.6
245.04501	3.5
245.08147	8.8
247.06117	1.5
255.03004	6.1
256.03644	1.9
269.04556	1.8
273.04086	3.5
281.04636	1.7
285.03897	1.9
287.05621	5.2
289.07184	49.8
290.07550	4.6
299.05652	6.2
339.08875	2.6
407.07700	37.5
408.07993	6.2
425.08783	13.2
426.08963	1.2
451.10229	7.4
577.13312	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37589	0.2
57.03321	0.5
58.00480	0.2
59.01252	8.4
65.03836	0.4
67.01787	0.3
69.82602	1.3
71.01257	5.0
72.99172	0.6
73.02824	2.8
77.03516	0.2
83.01272	0.7
85.02838	1.8
87.00788	0.5
89.02319	1.8
91.05426	1.2
93.03333	4.1
96.95884	0.5
97.02831	0.5
98.20490	0.3
99.00757	5.9
101.02335	2.5
107.08467	0.2
107.76838	0.2
108.02088	0.2
109.02836	3.5
113.02340	4.9
114.02665	0.3
119.04921	74.1
120.05258	2.7
121.02847	100.0
122.03175	3.2
123.04472	0.3
125.02344	1.7
131.03409	0.4
133.02869	0.3
134.03654	0.3
135.04422	22.5
136.04755	0.9
137.02377	0.5
143.03412	0.4
143.82610	0.2
147.04431	1.4
149.02364	0.4
150.03033	0.2
151.03899	0.3
161.02367	0.3
161.04491	0.8
163.03944	1.8
165.05437	0.3
191.05557	0.9
203.03436	0.2
230.62277	0.2
241.08673	39.5
242.09019	2.6
253.07156	0.3
337.09525	0.4
355.24817	0.5
373.25900	0.5
375.27731	0.2
376.27698	0.3
377.27853	0.3
385.12628	0.3
403.13470	0.7
415.12430	0.7
445.14481	2.3
455.15689	0.5
457.13519	8.1
458.13812	0.9
517.17169	0.9
517.30310	1.1
535.18195	8.4
535.30786	0.5
536.18390	1.4
577.19269	19.4
577.32416	2.3
578.19598	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	577.1354
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03327	19.2
71.01220	1.0
81.03352	2.7
83.01259	4.5
85.02841	3.9
93.03376	2.6
95.04938	2.8
96.95892	1.2
96.96878	1.1
97.02818	5.6
97.59180	1.1
98.19849	2.8
105.58635	0.9
107.04909	2.2
107.27869	0.9
107.87424	1.0
109.02837	20.6
121.02849	3.8
123.04424	16.8
125.02344	100.0
126.02705	2.6
133.02849	5.3
135.04420	2.6
137.02342	21.5
137.03323	1.8
139.03946	2.7
145.02888	1.4
146.03659	2.2
149.02365	5.2
151.03915	11.5
154.04767	1.1
159.04407	2.9
161.02362	26.8
161.05992	3.4
162.03027	2.5
163.00290	3.8
163.03952	3.3
164.01027	3.6
165.01860	5.9
173.06049	1.1
174.03230	1.0
175.03903	9.4
175.07646	1.5
177.01868	6.3
179.03419	4.4
185.05869	1.0
187.03934	8.7
188.04732	3.6
199.03844	1.2
201.05493	2.7
203.03421	1.5
203.07095	8.5
205.01360	2.7
205.05095	6.9
211.04022	1.3
213.05574	2.0
217.05049	2.5
221.08209	2.5
227.03494	2.7
227.06932	1.2
228.04297	2.1
229.05020	3.3
243.03021	1.9
243.06520	1.0
245.04541	5.3
245.08171	12.4
255.02945	8.2
256.03705	4.2
257.04535	2.5
269.04623	2.1
271.06119	1.6
273.04108	3.8
279.03156	1.1
281.04547	3.8
282.34045	1.2
285.04065	3.3
287.05603	7.3
289.07187	62.9
290.07492	4.5
299.05682	5.8
329.06461	2.5
339.08716	3.2
381.09811	2.8
388.86148	1.0
407.07684	50.3
408.08270	5.6
425.08774	14.5
451.10303	9.7
577.13824	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	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	15.6
59.71072	0.8
69.88406	1.5
69.88791	5.2
81.03326	2.2
81.04879	0.8
83.01258	5.9
93.03316	1.8
95.01250	1.1
95.04890	2.5
97.02840	5.4
98.20488	1.3
107.04876	1.1
108.02057	1.1
109.02843	22.7
119.04868	1.0
121.02861	4.5
122.03635	2.2
123.04422	16.3
125.02342	100.0
126.02710	2.6
131.04927	1.6
133.02861	6.3
135.04439	3.0
137.02350	22.0
137.03322	1.8
139.03903	4.0
145.02861	1.6
146.03529	0.9
147.04349	1.2
149.02364	6.1
150.03085	1.5
151.03937	14.5
159.04456	4.7
161.02353	27.5
161.05966	4.8
162.03026	3.2
163.00273	2.1
163.03925	3.7
164.01038	4.8
165.01851	5.8
165.89600	0.9
167.03401	1.2
173.06012	1.0
174.03174	1.1
175.03929	10.4
175.07535	2.1
177.01863	6.7
177.05408	1.4
177.87004	0.9
178.02501	0.9
178.52608	0.9
179.03430	3.9
187.03932	6.4
188.04668	2.7
189.05356	1.1
199.07426	1.5
201.05475	1.4
202.06322	2.0
203.07082	10.2
205.01395	2.3
205.04997	8.4
209.04489	1.0
211.03951	1.4
215.03497	1.8
217.02956	1.0
217.05003	2.8
221.08177	1.3
227.03418	1.2
227.07013	1.4
228.04279	2.2
229.05020	2.9
230.05745	1.5
231.02939	1.2
243.02975	3.1
245.04582	5.3
245.08203	11.7
253.05063	1.4
255.02968	9.4
255.06757	1.0
256.03699	6.6
257.04404	1.1
269.04590	2.0
271.06149	1.2
273.04135	4.7
281.04535	2.5
285.04047	3.8
287.05573	6.9
288.02777	1.2
289.07187	63.3
290.07541	3.6
297.07639	1.4
299.05695	4.6
329.06583	1.6
339.08795	2.6
381.09711	2.4
407.07721	58.2
408.08115	5.8
425.08801	16.7
426.08997	0.9
451.10370	9.3
452.09848	1.2
577.13721	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	10.7
59.01247	0.9
69.29365	7.8
81.03335	1.1
83.01257	3.2
93.03337	1.5
95.04910	1.6
97.02847	2.7
101.10571	0.7
103.60248	0.6
107.04951	1.1
109.02842	13.4
121.02856	2.3
122.03643	1.1
123.04429	8.7
125.02338	100.0
126.02673	2.7
133.02881	2.6
137.02356	20.1
139.03911	1.4
146.03731	0.9
149.02347	4.2
150.03021	0.7
151.03940	9.4
157.45085	0.8
159.04494	2.0
160.99164	0.7
161.02364	23.5
161.06001	2.3
162.03059	1.4
163.00354	0.8
163.03906	3.2
164.01053	3.8
164.52951	0.7
165.01846	4.8
167.03516	0.9
173.06003	1.1
175.03940	6.8
175.07619	1.0
177.01849	2.5
179.03360	3.4
187.03954	6.1
188.04689	2.1
201.05519	1.3
202.06281	0.9
203.03571	0.9
203.07091	7.4
204.07352	0.8
205.01382	1.9
205.04970	6.0
213.05539	0.8
213.89029	0.6
215.03313	1.1
217.05025	1.4
221.08171	1.7
227.06982	1.1
229.04987	1.9
231.02953	1.0
241.05023	0.8
243.03093	1.8
243.06645	0.8
245.04497	3.3
245.08176	10.4
246.08586	0.9
247.06177	1.4
255.02887	3.8
256.03720	2.6
257.04550	1.7
269.04605	2.0
271.06290	1.2
273.04044	3.9
281.04605	2.3
283.02628	1.4
285.04083	1.5
287.05609	6.8
288.05984	1.5
289.07178	61.0
290.07455	4.9
299.05682	5.4
329.06741	0.9
339.08792	3.1
344.81311	0.7
381.09698	1.8
407.07736	42.1
408.08038	4.6
425.08713	13.8
426.09180	2.1
451.10410	7.0
577.13721	4.3
580.96472	0.8
602.35779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1349
Annotation	Procyanidin B8
Peak:m/z	Relative Intensity
57.03320	14.0
70.02138	6.0
83.01245	6.0
97.02791	2.8
98.19846	1.9
107.34194	1.5
109.02849	21.0
121.02841	3.4
123.04407	14.7
125.02342	100.0
133.02837	4.4
135.04413	1.7
137.02350	20.0
139.03885	3.1
147.04399	1.9
149.02338	4.9
151.03906	14.2
159.04414	2.8
160.87497	1.4
161.02350	27.0
161.06000	3.8
162.03104	2.8
163.00316	2.7
163.03900	2.8
164.01024	5.4
165.01852	5.3
175.03938	10.2
176.26776	1.5
177.01822	5.3
177.05193	1.8
179.03421	4.2
187.03944	7.8
188.04764	3.7
201.05513	1.7
202.06407	1.8
203.07047	9.5
205.01408	1.9
205.05034	8.2
217.05057	2.5
221.08093	2.1
227.07085	3.2
229.05080	2.9
231.06584	2.1
243.06447	1.7
245.04459	5.4
245.08136	13.1
249.27130	1.7
255.02963	8.0
256.03592	4.0
257.04541	2.3
269.04477	2.4
273.04050	4.0
281.04407	4.0
283.02463	2.8
285.03931	2.1
287.05585	5.6
289.07169	66.2
290.07578	4.8
297.04199	1.9
299.05542	5.7
329.06659	2.5
339.08472	2.2
372.24899	2.0
381.10016	2.0
407.07721	50.4
408.08173	8.4
420.38174	1.7
425.08771	13.2
426.09125	2.4
451.10468	10.1
502.72321	1.8
577.13690	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	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	13.0
57.07482	1.4
70.91753	3.8
83.01261	3.5
97.02829	4.7
109.02847	15.9
121.02851	2.7
122.03695	1.5
123.04411	10.3
125.02346	100.0
126.02698	3.4
133.02869	2.1
133.58150	1.5
137.02354	20.1
139.03918	4.0
145.02855	2.0
149.02361	5.9
150.03093	2.1
151.03928	12.5
159.04430	2.0
161.02367	29.3
161.05978	2.9
163.03909	3.1
164.01062	4.2
165.01825	4.9
167.03485	1.8
175.03981	8.0
177.01839	4.9
179.03442	6.3
187.03981	7.0
188.04703	3.6
201.05481	2.3
202.06198	1.8
203.03374	1.7
203.07091	11.0
205.01344	2.4
205.05026	10.9
217.05005	2.7
221.07909	1.6
227.03520	1.6
229.05081	2.8
231.02739	2.1
243.02989	3.4
245.04536	6.3
245.08208	12.3
247.06169	2.4
247.45955	2.0
253.04974	1.9
255.02994	11.2
256.03751	6.8
257.04578	2.5
269.04575	2.3
273.04068	4.9
281.04489	3.7
283.02686	3.6
285.04102	3.2
287.05615	6.4
289.07208	57.6
290.07483	4.4
299.05585	5.2
339.08820	3.8
381.09778	1.8
407.07712	54.0
408.08063	4.7
425.08719	15.1
426.08533	2.0
426.13953	1.8
446.30429	1.8
451.10510	8.1
577.12860	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	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
61.98705	100.0
70.33398	2.7
97.20844	0.6
106.57035	0.7
183.69862	0.6
232.76785	0.6
254.09575	0.7
255.09924	1.1
277.21713	3.0
278.22086	3.8
279.22565	1.7
280.22647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.5
59.26554	0.3
66.92501	0.3
70.03127	1.5
78.95777	7.8
103.98058	0.3
124.92422	0.3
152.99484	2.1
168.04192	1.8
173.61954	0.3
224.06946	1.3
233.22798	0.5
238.37274	0.3
242.07956	3.1
259.20807	0.5
259.34283	0.3
265.61691	0.3
277.21722	100.0
278.22107	9.0
322.68799	0.3
391.82156	0.3
413.92032	0.3
452.68027	0.3
502.29404	25.2
503.29758	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	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50245	1.1
57.03326	15.1
59.01261	3.3
62.05856	1.1
63.50836	1.0
70.63021	1.2
71.01250	2.7
72.36428	1.0
81.03333	3.0
83.01266	6.9
85.02829	2.5
89.02335	1.2
93.03323	2.4
95.04894	2.3
96.95898	3.6
97.02827	4.3
99.00747	2.6
104.39375	1.0
107.04887	2.8
109.02840	16.9
117.03295	1.5
121.02846	3.6
122.03558	1.7
123.04416	13.2
125.02344	100.0
126.02664	3.5
133.02837	3.9
135.04453	3.0
137.01375	2.1
137.02359	24.7
139.03903	4.1
147.04385	1.9
149.02350	5.7
150.03119	2.7
151.03928	18.5
159.04401	3.8
160.05119	1.2
161.02350	26.7
161.05957	4.1
162.03017	2.2
163.00218	1.4
163.03949	5.3
164.01073	3.0
165.01878	5.5
166.02472	1.6
167.03400	4.0
175.03952	8.0
177.01874	5.4
177.05498	1.6
179.03432	3.9
187.03923	7.2
188.04701	3.3
189.05464	1.3
191.05516	2.0
195.06587	1.2
199.03833	1.8
201.05460	2.4
202.06186	1.6
203.03313	1.3
203.07066	7.5
205.01294	2.0
205.05000	7.5
205.41422	1.5
209.04480	2.0
211.03864	1.3
215.03607	1.6
227.03400	2.2
227.07027	1.7
228.04109	1.7
229.04950	2.7
231.02797	1.9
243.02971	2.4
243.06624	2.2
245.04483	3.0
245.08188	7.6
246.08554	1.6
251.05556	4.9
255.02931	3.8
256.03638	1.4
259.05975	2.2
269.04623	3.5
273.04059	2.6
281.04126	2.0
281.06717	3.3
285.03973	2.4
287.05634	13.2
289.07172	47.4
290.07477	4.8
299.05569	4.0
339.08533	2.6
400.94342	1.3
407.07687	31.9
408.07941	3.6
415.12494	1.5
425.08798	12.4
439.10110	1.4
451.10217	7.9
559.12103	1.5
577.13513	6.5
577.22491	2.5
578.13385	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59600	0.6
59.01250	2.8
61.98707	100.0
71.01259	1.6
79.95618	1.5
80.96394	8.6
80.96847	0.7
85.07188	0.5
89.02332	0.7
91.02943	0.5
94.97979	2.0
98.20623	1.1
125.02378	0.7
134.97542	0.9
148.99081	0.7
152.98601	0.7
164.98596	1.6
218.51154	0.5
225.00787	2.1
253.09375	1.2
254.09555	0.6
255.09700	1.2
277.21732	5.6
278.22095	9.1
279.22369	6.1
280.22876	2.2
282.14212	0.6
299.04474	0.8
577.26819	13.1
577.34979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.5
65.36217	1.2
69.61679	7.9
71.01251	13.4
71.04897	11.6
81.03298	1.5
85.02818	2.1
87.00740	1.3
88.03919	17.5
89.02326	2.1
96.95895	4.6
98.19888	2.4
99.00753	2.8
99.04382	4.7
101.02332	2.1
107.04904	1.8
109.02837	2.5
113.02335	3.0
116.07030	1.8
123.04417	9.6
124.01513	1.9
125.02338	14.0
135.04457	1.8
137.01265	1.3
137.02339	27.2
139.00287	1.3
139.03885	3.0
146.08131	34.3
150.03088	2.9
151.03914	30.8
152.04707	26.2
153.05035	1.5
161.02371	4.2
162.21016	1.2
163.00243	1.2
164.01031	2.0
165.05551	1.3
167.07001	4.3
175.04001	2.5
177.01811	3.9
178.02612	2.9
191.05586	2.1
193.04965	4.3
195.02902	4.9
196.03702	73.1
197.04057	2.7
211.06067	33.5
212.06427	1.5
217.05037	1.6
218.10249	12.1
260.11362	1.8
267.11298	3.1
283.10730	2.2
285.04156	3.1
287.05646	2.9
289.07254	1.8
340.08038	3.7
355.10388	5.7
358.09308	1.4
368.90182	1.5
373.11316	4.1
407.60574	1.6
412.10333	3.7
423.07281	3.1
427.12357	17.4
428.12976	1.7
434.17236	3.7
444.15076	1.9
449.08603	2.1
452.18204	2.8
470.19363	1.8
512.20197	3.9
530.21429	2.7
574.21399	100.0
575.21857	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	573.2917
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
55.01763	2.9
57.03321	2.7
58.00459	2.0
59.01254	100.0
61.98705	3.5
65.16611	0.9
69.03339	1.1
71.01257	39.7
71.58145	1.8
72.86903	1.0
72.99194	4.3
73.02828	16.5
75.00764	1.4
80.38429	1.1
81.03356	1.3
83.01266	7.1
85.02824	20.3
87.00758	3.5
89.02321	21.6
89.02842	1.8
93.03347	3.2
95.01275	3.6
96.95930	2.0
97.02835	3.1
99.00761	23.9
101.02326	22.8
108.02054	1.2
109.02836	2.8
111.00745	1.6
113.02335	26.4
113.03065	1.8
118.09329	1.1
119.03413	3.6
119.04912	13.4
120.05222	1.3
120.07529	1.1
121.02865	2.4
123.04417	7.6
125.02353	3.9
129.01805	1.0
131.03401	4.3
133.02888	1.7
135.04431	2.6
136.62067	1.0
137.02370	3.5
139.07735	1.0
143.03423	3.8
149.02451	1.2
149.04451	10.0
151.03958	1.6
159.02867	1.9
161.02321	2.1
161.04465	9.6
163.03786	1.1
164.03484	4.2
165.01976	1.8
165.05504	1.1
175.03981	1.2
189.06694	1.9
189.09155	1.9
191.05550	5.3
193.06526	2.4
203.05498	1.7
217.08722	3.2
219.14967	1.6
232.02731	1.0
233.06606	2.0
249.11366	6.2
287.05643	1.4
293.08566	1.3
299.05505	2.6
369.18039	14.2
381.22916	2.1
399.23898	7.3
400.24350	2.1
411.18027	1.5
441.25003	1.6
513.26611	6.0
531.19946	1.7
531.28113	32.0
532.28558	4.6
573.29443	31.3
574.29285	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	573.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.6
57.03338	1.9
58.00471	2.3
59.01252	100.0
59.04677	0.9
61.98713	5.3
69.03317	1.2
69.40752	5.5
69.41164	3.5
70.40217	0.8
71.01255	42.9
72.99173	2.9
73.02819	28.3
75.00731	1.3
81.03278	1.0
83.01258	6.0
85.02828	12.0
87.00770	1.7
89.02319	40.8
93.03371	2.6
95.01284	2.1
96.95866	1.5
97.02843	2.3
98.19803	2.2
99.00758	86.3
100.01131	1.9
101.02325	21.5
108.04459	2.5
109.02837	1.0
111.00817	1.2
113.02341	17.5
119.03392	5.5
119.04880	6.2
121.02863	2.4
122.03644	2.8
123.04408	19.2
125.02354	8.9
131.03410	10.4
135.04401	2.7
136.03935	5.5
137.01408	1.1
137.02335	6.3
143.03394	4.7
147.19849	1.0
148.03958	1.4
149.02484	1.3
149.04468	29.9
149.05931	2.8
155.03429	2.5
161.02510	1.4
161.04477	9.4
162.04253	3.5
163.07492	1.3
164.02063	1.3
164.03439	23.8
165.01880	2.2
165.04178	3.3
165.05501	1.0
179.05586	1.2
187.07599	1.3
189.06610	8.3
191.05554	32.4
203.05516	13.3
219.15015	5.3
224.98975	0.9
233.06660	4.2
283.05215	0.9
284.81677	1.0
293.08350	1.1
307.13327	2.7
312.11011	2.1
369.18176	47.3
369.22467	1.7
370.18393	4.3
399.23807	3.2
441.24719	1.5
513.27234	3.7
531.27985	16.8
532.28485	3.0
573.30298	18.7
574.30090	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	573.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21160	4.2
56.82927	4.0
59.01253	96.5
61.98699	12.7
64.23252	4.2
71.01260	39.0
71.07618	7.5
71.07995	8.8
73.02825	15.3
83.01279	5.2
85.02837	11.7
87.00765	4.0
89.02332	16.2
98.20192	5.7
99.00773	19.0
101.02322	24.3
113.02345	19.3
119.03469	6.7
119.04916	100.0
135.04456	4.5
136.67068	3.7
138.25375	3.8
149.04434	10.6
161.04489	11.1
191.05537	15.2
237.08380	4.5
260.09506	4.7
325.14343	31.1
411.18210	5.2
503.62030	4.1
531.28235	15.0
573.29022	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	573.2919
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
59.01254	100.0
61.18998	3.4
61.98706	6.8
71.01265	44.4
72.65161	3.9
72.99169	3.2
73.02808	18.2
75.00726	3.7
83.01263	4.9
85.02827	19.5
87.00768	6.0
89.02328	37.8
95.01238	4.0
96.95876	4.6
97.02847	4.3
98.20589	9.6
99.00762	20.9
101.02320	30.0
104.26772	3.3
108.18818	3.1
113.02331	23.5
119.03389	6.0
125.02370	8.1
131.03384	6.6
137.28931	3.0
143.03389	3.9
149.04489	11.1
161.04480	9.2
179.05461	3.6
179.36380	3.5
191.05518	8.4
238.61206	3.7
369.22751	4.2
381.22842	6.2
399.23636	7.2
513.26959	57.0
514.27509	8.8
531.28290	13.6
573.29315	17.2
578.35895	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	573.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34455	3.5
52.40195	4.3
58.12748	4.0
59.01252	67.2
61.98687	12.9
69.50025	27.1
71.01264	20.7
73.02817	9.6
89.02300	11.6
97.02863	3.7
98.19854	8.4
99.00742	29.9
101.02312	10.3
105.44155	3.6
109.02864	3.9
113.02310	4.6
119.04928	100.0
125.02353	6.7
135.04457	4.9
149.04431	8.6
161.04529	4.2
182.03336	3.6
191.05534	6.8
254.36272	4.3
325.14474	32.0
495.88730	4.8
513.31122	5.1
531.27618	4.7
573.29193	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	573.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65049	1.6
59.01249	14.7
59.18183	1.5
65.03823	1.7
69.32792	8.3
69.33218	6.0
71.01243	5.2
73.02834	2.5
85.02805	2.7
89.02312	1.7
91.05388	12.5
93.03320	4.6
95.40327	1.5
99.00739	3.9
101.02316	3.5
106.40430	1.4
107.04880	2.9
108.02029	3.0
109.02854	9.5
109.06461	2.0
119.03409	1.4
121.02840	35.9
122.03607	3.3
127.62607	1.4
133.02866	1.9
134.03619	13.7
135.04416	100.0
136.04694	2.5
137.02348	3.7
147.04419	16.5
147.37863	1.8
148.05168	6.1
149.05994	2.4
161.04391	1.7
177.09123	14.5
186.49438	1.4
189.09120	36.0
190.09509	2.3
192.65779	1.6
203.10707	98.6
204.11081	4.6
215.10719	7.8
247.09769	2.3
325.14444	54.3
326.14709	5.3
339.10925	1.8
351.39758	1.6
369.13538	1.8
440.77289	1.8
467.93079	1.5
529.20770	22.2
530.20953	2.6
573.18915	2.1
573.28595	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	573.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18139	4.7
59.01254	100.0
61.98705	22.1
69.03317	6.4
69.36127	45.2
71.01262	36.0
73.02828	22.8
83.22713	4.1
84.28004	4.8
85.02831	16.8
87.00739	6.3
89.02301	14.8
93.03347	5.4
93.96486	4.8
96.95886	4.6
96.96719	4.1
97.15301	4.0
97.66145	4.5
98.20621	7.5
99.00781	9.2
101.02322	21.0
108.02032	15.4
109.02835	14.2
113.02315	14.8
119.03461	5.2
119.04921	62.5
121.02829	12.7
123.04350	7.2
125.02347	15.0
128.03403	12.5
134.03654	7.3
135.00748	9.3
135.04410	11.1
137.02341	14.4
146.03693	4.1
149.05966	9.2
151.03925	5.2
152.01051	28.5
158.71429	4.4
159.04340	5.9
161.04510	6.0
173.71046	4.2
175.07553	5.3
188.75388	4.9
191.05507	6.1
205.08640	16.1
242.05844	7.5
243.06534	15.6
267.12238	5.0
289.88644	6.0
298.42398	4.8
325.14551	21.8
351.08627	8.4
351.12436	8.0
369.13364	32.8
370.09433	5.9
370.13748	6.3
411.18329	7.0
412.96414	5.6
429.10291	30.0
462.86462	5.0
537.15967	22.7
573.22937	7.5
573.28894	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	573.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.43704	4.3
69.83843	29.1
71.01241	38.0
73.02810	20.5
74.52479	4.7
85.02832	15.4
87.00749	8.4
89.02324	23.9
93.03341	14.6
96.95875	44.9
99.00749	20.0
101.02377	22.2
101.02941	5.5
108.02075	7.5
108.25787	5.0
109.02802	5.3
111.00751	5.0
113.02319	16.1
119.03387	4.8
119.04903	49.5
121.02901	6.3
125.02293	6.3
133.02817	6.6
135.00728	9.5
135.04430	29.6
149.04434	10.3
149.05978	7.8
185.11664	5.7
191.05519	9.1
193.06511	32.5
198.77618	5.0
205.08592	18.1
207.08115	12.9
243.06633	24.3
297.06342	5.1
325.14474	43.1
326.14932	7.7
369.13437	8.1
485.23166	5.0
531.28113	18.9
537.16327	34.0
573.29602	45.1
574.29749	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	573.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05855	3.1
59.01253	25.5
65.72698	2.6
71.01244	11.9
73.02818	12.5
83.01263	3.4
84.04608	3.3
85.02806	8.0
91.78684	3.0
94.75347	3.4
96.95907	4.0
97.14755	2.7
99.00763	12.0
101.02310	8.8
113.02345	8.6
125.02371	2.6
125.35512	3.0
131.03375	4.0
135.04419	9.0
139.69109	2.5
150.76625	2.7
163.03928	55.6
164.04285	3.4
164.08670	3.6
178.06271	76.4
179.06665	3.8
193.08649	100.0
194.08968	7.0
227.13481	3.9
375.27457	22.0
411.17981	5.9
432.37830	3.3
487.18295	16.3
529.19153	20.7
573.30328	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	573.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	70.4
63.17378	3.5
66.43037	3.1
69.43311	9.7
69.43719	24.0
69.67023	3.5
71.01260	23.0
73.02819	12.2
83.01305	3.8
85.02834	7.7
89.02337	9.3
96.95889	9.0
98.19793	6.5
99.00740	17.3
101.02328	14.3
105.73266	3.5
108.84441	3.3
113.02332	13.6
121.02827	6.4
125.02296	4.8
135.04419	10.9
136.04733	3.6
149.02353	5.0
155.50024	4.1
163.03935	58.3
163.11330	5.6
164.04631	9.1
178.06302	65.0
179.06868	5.3
179.84546	3.7
187.11255	5.9
191.05544	7.5
193.01688	55.9
193.08643	100.0
194.09024	4.2
203.05957	4.4
205.12418	4.9
223.06023	6.2
356.97717	3.8
373.25964	11.4
375.27484	21.4
487.18216	14.7
529.12134	6.7
529.19128	12.9
573.25134	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	573.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73264	1.0
55.01758	2.5
57.03323	1.7
58.00470	1.4
58.55330	0.8
59.01249	100.0
61.98684	1.8
62.61734	1.0
69.03306	1.7
69.26883	10.7
71.01255	43.4
72.99192	1.6
73.02819	27.1
83.01256	6.3
83.95708	1.0
85.02825	14.4
87.00751	1.7
89.02316	33.9
92.26214	0.8
93.03317	2.8
95.01249	4.2
97.02834	2.6
99.00755	61.8
101.02319	22.3
109.02834	1.5
113.02335	19.2
119.03419	2.3
119.04920	17.5
121.02811	1.3
125.02324	5.1
131.03409	7.3
134.03674	1.2
135.04398	2.2
137.02338	2.1
143.03404	4.1
149.02351	4.3
149.04459	24.7
149.05711	1.8
149.06111	1.1
155.03392	3.1
159.02977	1.7
161.04459	9.7
179.05519	1.6
187.07581	5.2
191.05530	24.0
201.09126	4.9
203.05545	8.1
219.10144	1.1
233.06627	2.6
249.11136	1.4
307.13397	8.6
308.13712	1.2
340.54092	0.9
369.13150	1.3
369.17276	2.0
399.23929	6.0
441.24796	2.2
513.26398	4.7
531.28046	28.6
532.28406	3.5
551.27405	1.1
573.19763	3.8
573.29114	18.1
574.28925	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	571.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98590	3.3
55.01775	3.2
55.84824	3.3
56.71061	3.7
59.01254	65.2
69.38235	37.2
71.01250	31.2
73.02827	18.4
80.69830	3.8
85.02824	9.6
87.00733	5.0
89.02320	17.9
93.03337	5.8
93.75503	3.7
96.95875	17.1
99.00739	8.2
101.02341	20.8
109.02841	12.9
113.02329	11.0
119.04893	10.6
121.02837	31.4
122.03610	13.6
124.89777	3.4
125.02367	6.2
126.03320	3.3
133.02863	3.9
135.04440	11.3
137.02374	6.5
149.04517	4.3
151.03885	5.9
152.04607	4.3
165.05452	8.2
173.04453	5.4
191.05550	9.9
191.10651	19.6
196.03603	6.0
241.08723	7.6
243.69806	3.8
261.14859	9.8
279.16031	6.0
305.14130	6.2
336.15829	4.5
368.84219	3.4
371.15042	4.9
373.25958	13.2
376.79987	3.7
409.16705	4.7
467.19003	6.5
485.20157	7.8
527.21265	100.0
528.21686	15.7
535.18311	19.5
571.27435	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57024	0.7
63.90957	0.6
78.95781	78.0
79.83037	0.8
87.34713	0.6
96.96841	16.4
98.20519	2.4
103.73239	0.8
112.66710	0.7
134.98338	0.7
150.97949	1.2
152.99496	71.1
153.99831	1.4
155.24657	0.9
171.00389	1.1
223.00037	2.7
223.42737	0.9
236.90102	0.8
241.01152	33.3
255.23279	82.0
256.23630	7.3
315.04861	12.2
391.22534	6.3
403.62997	0.7
423.19217	0.8
467.62241	0.8
571.28894	100.0
572.29236	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	571.2889
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
71.14191	1.6
78.95777	68.3
90.91193	0.7
91.03164	0.6
96.96839	13.6
98.99292	0.6
104.53146	0.7
131.39981	0.8
150.97893	1.1
152.99496	59.9
153.99831	0.8
222.99992	1.5
241.01164	31.8
242.01447	1.1
255.23274	70.6
256.23553	5.2
259.02243	0.7
315.04880	10.1
391.22559	7.0
392.78131	0.7
571.28918	100.0
572.29199	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98689	1.0
71.54974	1.6
82.34879	0.9
83.04910	1.3
93.03340	1.2
96.20823	0.9
97.06454	1.4
119.04900	1.0
125.09621	2.2
141.41661	1.0
171.10201	10.0
209.11798	1.3
228.66206	1.0
231.13954	2.1
233.15407	1.7
245.15422	1.8
247.16953	3.2
248.03775	0.9
263.16501	21.2
264.16843	2.7
282.84964	1.2
385.23563	1.0
410.20831	1.0
417.26440	6.5
418.26901	1.5
435.27536	12.1
485.00739	1.2
491.30212	6.5
509.31299	9.4
510.31522	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	567.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03312	2.5
58.00465	4.9
59.01252	100.0
60.01588	0.8
66.11818	0.8
69.61240	2.1
69.61643	3.5
71.01254	78.1
72.01579	0.8
72.99178	7.2
73.02820	5.1
75.00758	1.6
83.01271	2.5
85.02825	15.9
87.00745	6.4
89.02321	99.4
90.02641	1.5
93.03336	4.3
95.01276	3.4
95.04901	0.8
96.95903	2.7
97.02789	0.9
99.00761	2.0
101.02327	40.8
102.02683	0.9
105.03378	1.0
108.02062	3.7
109.02884	2.0
111.00746	1.3
113.02330	31.8
113.79707	0.8
114.02666	1.0
117.03378	1.3
119.03396	36.7
119.04802	1.6
121.02843	2.6
123.04437	2.7
125.02361	3.6
129.01825	1.2
131.03391	3.1
133.02849	2.9
134.03656	3.3
135.04419	1.6
135.54002	0.8
137.02336	2.7
140.91113	0.8
143.03384	5.4
144.01128	1.9
145.02867	7.4
146.03508	0.8
147.04390	1.6
149.02376	1.4
149.04486	2.8
149.05948	1.1
150.03073	2.0
151.03914	9.0
152.01067	1.5
161.02364	30.7
161.04385	5.8
162.03143	32.8
163.03667	2.9
165.05504	2.4
176.04709	12.3
177.01886	2.9
177.04033	1.6
177.05508	23.8
178.02620	1.5
179.03432	35.1
179.05511	10.9
179.06985	1.8
180.04094	1.9
187.09787	1.2
191.05515	1.8
191.07092	4.2
193.05000	4.6
194.05792	32.1
195.06465	5.7
196.03842	1.2
201.05482	5.2
201.11293	1.8
209.08145	43.4
210.08513	1.7
231.12225	1.3
357.12177	2.5
361.16058	1.1
362.16763	1.1
363.17078	1.3
387.23840	1.1
405.08139	0.8
405.24890	1.0
523.27332	2.7
523.34485	0.9
525.16425	0.8
549.29431	1.7
567.21893	2.0
567.30261	18.8
568.30707	1.6
573.91083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21764	0.5
53.21588	0.5
55.01749	0.8
57.03315	1.8
59.01252	21.3
61.98688	1.7
64.09834	0.6
65.49776	0.6
67.56248	0.5
68.95822	0.4
69.03310	0.7
71.01254	10.3
71.04898	0.8
71.58184	1.1
72.01609	0.8
72.99181	1.1
73.02831	3.0
74.03159	0.7
78.12933	0.7
82.97935	0.5
83.01267	1.5
83.04897	1.0
85.02823	3.8
87.00758	0.9
89.02319	7.4
93.03349	1.0
95.01283	1.2
96.95853	0.8
97.02872	0.5
97.06455	1.0
99.00745	1.7
99.08036	5.0
101.02319	8.9
108.02071	1.7
109.02832	2.0
113.02325	4.1
119.03400	1.3
119.74921	0.6
123.04394	2.2
125.02347	1.3
125.09600	1.4
127.11188	4.0
134.03667	0.6
135.04385	1.3
137.02293	1.3
137.09555	0.7
139.11183	9.8
143.03380	0.9
149.02328	1.4
151.03929	0.9
152.01013	1.5
153.01880	1.0
153.05499	2.4
155.10674	1.0
157.12267	1.6
161.04462	3.2
164.99644	0.5
165.30605	0.5
167.10735	0.7
171.10188	28.6
172.10544	1.2
179.05469	1.2
183.13809	2.3
186.12128	0.6
191.03529	0.9
191.05505	1.8
193.12245	1.3
201.11253	0.9
201.67632	0.6
207.87421	0.7
211.13344	15.0
212.13809	0.7
218.03485	0.6
229.12364	0.7
229.14450	9.5
253.09264	27.8
254.09515	0.8
293.21179	1.0
305.04855	0.6
311.22369	1.5
329.23334	100.0
330.23642	8.8
431.26617	1.1
505.15558	0.6
505.33368	2.7
523.26031	1.4
523.34473	0.8
565.18219	0.6
565.32465	2.3
566.32800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98694	9.1
59.01260	71.8
71.19897	20.7
78.95774	10.5
93.03329	9.6
95.70353	7.5
96.95878	8.4
106.31894	7.8
111.06844	8.5
118.34122	7.6
119.04877	9.3
137.02330	21.3
137.09662	14.8
139.11169	7.7
149.02339	12.7
163.03946	18.1
165.01897	14.4
227.05974	11.2
269.07040	24.1
283.08545	13.0
293.21289	31.1
427.05911	13.0
491.16345	9.0
494.75623	9.1
496.21066	9.0
521.29376	12.3
565.15979	11.5
565.28198	100.0
566.28259	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	565.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47115	1.7
55.01735	1.7
57.03311	4.9
57.34603	1.7
59.01250	100.0
60.01585	7.5
61.01665	5.0
61.98692	3.2
69.03343	1.9
69.23885	7.9
69.24311	12.4
71.01252	39.3
72.01582	2.7
72.99185	5.2
73.02829	16.4
75.00710	2.1
83.01256	1.9
85.02827	16.4
87.00758	7.0
89.02314	32.5
90.02682	2.4
93.03334	5.8
95.01259	2.5
96.95900	4.2
97.02818	2.2
99.00759	25.7
101.02332	23.7
107.04929	1.7
108.02042	2.7
109.02818	4.0
113.02334	18.0
117.27192	1.5
119.03388	7.5
119.04903	3.6
121.02850	2.7
123.04410	3.4
123.32294	1.6
124.01522	3.5
125.02316	4.9
131.03366	2.5
135.04402	8.3
137.02364	14.2
147.04401	3.7
149.04463	15.3
150.03085	2.1
151.03926	12.6
152.01013	3.1
152.04689	9.8
156.40709	1.8
161.04449	7.0
161.09651	3.0
161.13237	2.1
163.03915	6.0
168.77660	1.7
177.01704	2.6
178.02634	4.5
187.11214	3.5
191.03526	8.5
191.05469	9.8
193.04988	6.0
196.03706	18.8
205.12325	3.5
207.10156	2.3
209.04485	5.8
211.06046	3.4
223.13336	13.4
224.13687	10.1
225.13936	7.2
227.07054	4.0
233.04440	2.3
233.06596	4.8
247.06166	2.8
249.11185	3.8
250.11485	2.3
251.11870	2.3
260.66669	2.0
267.12317	6.1
268.12659	4.7
269.12872	4.0
292.10028	2.2
313.11246	1.9
315.11823	1.9
353.08466	3.6
359.15005	2.5
373.12604	3.7
373.22177	5.6
385.12689	2.8
388.11658	5.5
403.13965	3.7
433.24503	2.1
505.19321	2.6
505.26535	41.3
506.26807	3.4
523.26965	4.0
565.15552	31.4
565.24310	43.2
566.15875	4.3
566.24280	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	565.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06316	0.5
58.80410	0.6
59.01215	0.6
71.08190	1.4
78.95782	13.7
96.96838	0.9
120.95393	0.6
136.94896	0.7
152.99509	15.3
171.00612	1.1
178.95988	0.7
227.03220	3.6
245.04405	0.8
249.00192	0.9
255.23280	100.0
256.23593	8.7
267.01257	2.0
293.23489	0.6
300.11295	0.6
304.97687	0.5
367.41638	0.5
483.27286	47.0
484.27441	5.0
489.54630	0.6
505.24423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00729	16.5
59.01255	100.0
62.03543	19.2
62.10324	16.7
78.95793	24.8
106.69384	18.4
137.09618	61.6
143.33850	19.4
148.62799	16.4
160.14948	22.4
184.19040	18.6
269.07059	59.8
293.21094	44.8
327.03070	20.6
427.06259	32.0
565.28339	38.5
576.43469	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	565.2293
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
57.03309	4.5
59.01254	68.3
60.41614	1.7
61.39743	1.8
61.98693	5.5
63.02254	2.3
65.00187	4.4
69.65130	11.8
71.00894	3.0
71.01254	44.8
72.99174	4.6
73.02821	14.8
75.00716	1.9
75.19933	2.2
83.01266	9.7
85.02831	20.4
85.99907	1.9
87.00737	5.9
89.02323	12.3
93.03318	9.1
95.01260	5.2
96.95887	13.5
98.19794	3.8
99.00741	8.6
101.02325	16.1
107.01232	9.2
108.02055	2.6
109.02830	11.0
113.02338	13.2
119.03415	2.7
119.04921	45.9
121.02859	16.5
122.03648	11.9
123.04362	6.1
124.01527	2.5
125.02307	6.3
135.04405	5.5
136.01520	3.4
136.05167	3.1
137.02267	7.3
139.00302	2.7
143.03413	3.0
143.04889	4.4
145.02840	3.3
146.03653	2.7
147.04375	6.1
148.46844	1.9
149.05914	3.0
150.03130	1.9
150.99139	2.9
151.00276	36.3
151.03957	13.0
152.00963	2.2
161.04430	3.7
161.05911	11.6
164.00990	2.0
165.01831	3.2
165.05486	24.9
174.06779	2.4
175.03920	3.3
177.01779	5.0
177.05415	2.3
179.05623	2.0
179.07007	10.4
185.06059	4.3
190.06238	3.5
191.07027	5.0
196.00015	5.3
203.06976	3.5
205.08601	3.7
208.07236	2.0
223.06000	2.7
223.09474	2.4
227.07011	8.3
239.06985	7.0
253.08595	3.5
261.85574	2.0
270.05209	4.5
271.06152	22.6
298.12082	4.5
313.14410	5.4
316.13263	2.0
328.12946	4.2
343.15451	12.8
343.21259	3.2
346.14035	7.8
361.12216	3.1
361.16562	54.1
362.16754	6.5
389.16266	12.3
403.18008	2.7
403.22931	4.8
504.03009	2.7
505.20694	100.0
505.26743	7.1
506.21283	15.6
523.21735	42.4
523.29297	2.9
524.21869	5.3
565.15326	70.3
565.28961	11.1
566.15613	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	565.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01252	6.3
60.01592	0.3
67.01781	0.3
69.32557	3.3
71.01241	2.2
72.23711	0.3
73.02817	1.4
75.00717	0.3
85.02831	1.3
87.00762	0.5
89.02328	1.4
93.03329	2.3
96.95892	3.5
99.00766	0.8
101.02327	1.7
104.99840	0.3
108.02045	0.8
109.02834	5.6
111.04425	0.4
113.02325	1.3
119.03397	0.5
119.04881	0.4
121.02840	19.1
122.03640	12.0
123.00812	0.5
123.04462	1.9
124.01553	1.3
124.63463	0.3
125.02306	0.5
129.03391	0.8
133.47466	0.3
134.03636	1.3
135.04431	2.9
136.05191	1.3
137.02336	3.4
146.03632	0.8
147.04427	8.0
148.05188	0.6
149.04430	0.7
149.05978	2.0
150.03102	0.5
151.03908	0.7
153.01794	0.8
154.02625	3.7
159.04436	0.4
160.05225	0.4
161.04660	0.5
161.05969	2.3
163.03871	0.7
164.04649	0.7
165.05482	27.6
166.05836	1.4
168.04198	0.5
173.06012	0.6
175.07567	0.4
178.06331	0.5
179.07066	9.5
180.07355	0.9
185.06039	0.9
191.03532	0.4
191.05492	0.6
191.07082	0.8
193.05058	0.4
193.08635	0.4
208.07516	0.3
209.08118	1.3
223.09772	1.3
242.27664	0.3
247.35089	0.3
298.11926	0.8
313.14444	0.9
315.12482	2.7
315.96332	0.3
316.12973	0.7
331.15314	0.4
339.90070	0.3
346.14188	10.0
347.14667	0.7
359.15045	0.3
361.16559	100.0
362.12500	0.6
362.16888	10.8
505.20551	1.0
521.26154	0.5
523.26849	0.7
565.19464	0.6
565.28149	4.4
566.28186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.0
59.01254	22.3
60.01604	0.8
61.98707	3.2
63.02261	2.1
65.00196	6.8
69.28195	1.1
69.28535	8.3
71.01257	14.4
72.01606	0.8
72.99177	2.3
73.02819	8.4
75.00736	1.0
83.01259	9.4
85.02822	6.1
86.03192	0.8
87.00751	1.6
89.02325	7.9
93.03326	5.4
95.01244	0.9
96.95902	3.5
99.00751	5.5
101.02331	9.2
102.02648	1.2
107.01267	12.6
108.02039	2.6
109.02834	1.4
113.02340	5.9
116.92725	2.3
117.03315	1.0
119.03494	1.3
119.04917	33.2
120.05285	1.0
121.02837	2.3
123.04422	1.4
125.02322	3.2
131.03436	0.9
135.04404	1.7
136.01593	2.1
137.02309	2.1
140.95667	0.6
143.03366	1.1
143.04918	3.4
145.02837	2.7
149.02361	1.7
149.04439	1.6
151.00278	44.1
151.03888	6.7
152.00725	1.4
153.01799	0.8
159.04480	1.0
160.05124	0.9
161.04536	1.6
161.05972	5.3
164.01071	5.2
165.01855	3.9
165.05504	1.6
169.01317	2.9
171.04631	0.8
175.03865	1.5
177.01857	7.4
178.02139	0.8
179.03410	1.2
185.06006	4.8
189.05498	1.5
190.06165	2.4
191.05536	1.8
191.52542	0.7
194.05707	0.9
196.00081	6.4
203.07065	4.0
205.08571	2.1
206.08913	0.7
215.12700	0.7
223.06088	1.3
227.07111	10.2
269.04538	1.5
270.05325	9.3
271.03143	1.7
271.06119	33.4
271.09412	1.7
272.06430	2.0
313.46307	0.7
316.04633	0.7
341.13898	1.7
342.14145	2.7
343.14563	1.7
361.16522	2.3
389.16040	7.1
391.23392	0.7
403.13614	1.0
403.18271	1.0
403.22891	1.0
433.11148	1.5
505.19986	2.0
505.26608	2.5
523.27423	1.5
565.15576	100.0
566.15894	13.3
582.73132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1578
Annotation	5,7,4'-Trihydroxyflavanone 7-O-arabinosylglucoside
Peak:m/z	Relative Intensity
53.45821	0.5
55.01756	0.8
57.03314	1.2
59.01252	23.0
60.01576	1.2
60.60229	0.6
61.63745	0.6
61.98694	2.9
63.02254	2.3
65.00194	7.1
68.09039	0.6
69.03317	0.7
70.45830	0.5
70.92907	1.6
71.01253	14.0
72.01570	0.6
72.99176	1.3
73.02822	7.4
74.03128	0.6
75.00758	0.7
81.03342	0.8
83.01261	9.1
85.02835	4.6
87.00762	1.0
89.02323	6.3
93.03347	6.5
95.01252	1.2
95.77289	0.5
96.95889	3.5
98.66522	0.5
99.00758	4.3
101.02326	8.4
102.02712	0.7
107.01273	13.4
108.02044	2.9
109.02828	2.1
110.02364	0.7
111.00768	0.7
113.02332	5.7
116.92723	1.9
117.03416	0.7
119.01280	0.5
119.03444	1.5
119.04916	32.0
120.05233	1.0
121.02837	1.8
123.00751	0.8
123.04403	1.4
124.01524	1.0
125.02340	4.2
131.03365	1.3
135.04375	1.2
136.01534	2.3
137.02296	2.6
143.03427	0.8
143.04895	3.7
145.02890	2.8
145.03836	0.5
146.03551	0.7
147.04373	0.8
147.25612	0.7
149.02344	1.5
149.04443	1.6
149.05701	0.5
150.03122	0.7
151.00281	41.9
151.03885	3.5
152.00673	0.8
153.01866	0.9
160.05133	0.6
161.02359	0.6
161.04536	1.5
161.05977	5.5
163.03854	0.9
164.01059	5.1
164.04594	0.6
165.01851	3.6
165.05437	1.7
167.03426	0.7
169.01308	2.6
173.05696	0.7
175.03845	1.1
176.04521	0.6
177.01857	6.2
178.02528	0.5
179.03389	1.3
179.05527	0.8
179.07007	0.5
180.04126	1.0
185.05980	5.0
187.03934	1.1
188.04765	0.8
189.05489	1.4
190.06186	2.4
191.05591	1.9
191.07117	1.3
193.05020	1.1
194.05721	0.8
196.00085	7.8
197.00453	0.6
203.07030	3.7
205.08675	1.4
207.06419	0.6
223.06073	2.0
223.24609	0.5
225.05669	0.7
227.07108	9.3
229.04994	0.7
235.15526	0.6
241.05096	0.6
269.04520	1.2
270.05344	9.1
271.06116	30.1
271.09360	1.6
272.06454	2.0
298.10956	0.6
312.13168	0.9
341.13782	1.5
342.14212	2.2
343.14551	1.8
361.16418	3.6
373.22354	0.8
385.12943	0.7
389.16113	7.6
393.50436	0.6
403.17731	1.3
403.22861	1.2
413.14694	0.7
433.11124	1.3
452.14874	0.6
505.20160	1.8
505.26648	2.6
523.20886	0.7
523.27869	0.8
565.15588	100.0
565.28033	3.9
566.15912	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	565.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.8
59.01252	32.6
60.01585	1.4
61.98706	3.4
69.03305	1.2
69.58429	6.8
71.01257	17.7
71.04912	0.7
72.99193	1.6
73.02821	6.7
81.03351	1.7
83.01254	1.3
85.02823	7.1
87.00771	2.2
88.98682	0.9
89.02324	8.8
93.03341	1.8
95.01298	1.6
95.04938	0.8
96.95904	3.8
97.02847	1.3
97.16547	0.8
98.19801	1.7
99.00768	6.6
99.04401	1.0
101.02325	7.7
104.02559	12.1
108.02067	1.9
109.02845	2.9
111.00783	1.7
111.60707	0.8
113.02333	6.0
115.77267	0.9
119.03403	2.4
119.04940	1.6
120.02011	1.0
121.02866	3.3
123.00795	2.5
123.04422	15.5
124.01595	4.4
125.02330	3.4
126.82049	0.9
128.03354	1.4
131.03398	1.3
133.02861	1.7
134.03665	1.8
135.04405	3.2
136.01559	1.6
137.02347	43.5
138.02678	0.8
139.03925	3.4
143.04500	1.0
147.04402	1.6
148.01572	20.1
149.02271	1.6
149.04463	3.8
149.06039	1.4
150.03148	3.1
151.03923	49.5
152.04709	41.3
153.05156	1.2
159.04465	0.9
160.05180	3.3
161.04478	2.0
161.05746	1.8
163.00255	0.8
163.03951	1.2
164.04698	1.6
167.03387	1.2
167.07051	5.7
173.06119	1.1
175.07596	2.4
176.01074	100.0
176.07927	1.6
177.01747	7.3
177.05412	1.3
178.02603	6.1
178.06055	0.8
179.03435	0.9
179.05566	1.4
191.03438	87.5
191.05397	3.9
192.03857	3.3
193.04939	5.4
195.02930	7.8
196.03706	84.4
197.04065	3.8
207.06473	1.1
211.06064	70.3
212.06450	2.7
215.12895	1.3
225.05298	0.8
229.08717	1.1
233.06662	1.2
269.04501	5.2
270.04990	3.3
271.05286	2.9
272.08856	1.6
329.13879	6.3
330.14194	8.4
331.14508	4.3
358.09036	16.0
361.16086	1.6
373.11389	81.6
374.11774	8.3
403.13901	2.2
433.24454	2.2
485.38181	0.9
505.20807	3.6
521.26947	1.4
522.25946	2.0
564.26630	3.0
565.16199	1.3
565.28894	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	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14871	0.6
55.01759	1.1
55.46759	0.6
57.03329	4.2
58.00466	0.7
59.01251	44.4
61.98738	0.6
65.54437	0.5
69.03321	1.7
69.57259	0.8
70.30717	1.4
71.01254	20.5
71.04870	1.3
72.54157	0.6
72.99170	2.4
73.02821	5.7
75.00742	0.7
75.53593	0.6
83.01249	3.0
83.04890	1.2
84.02049	0.8
85.02826	17.1
87.00751	3.0
89.02324	13.1
91.24020	0.6
93.03320	3.0
95.01275	2.6
95.04925	0.7
96.95886	1.3
97.02821	2.4
97.06448	3.4
99.00771	3.9
99.04395	0.9
100.00272	1.3
101.02322	15.6
101.02981	0.8
108.02197	0.6
109.02837	2.0
111.04388	1.0
113.02333	11.4
115.57177	0.6
119.03383	4.1
119.04876	1.8
121.02927	0.9
123.04423	2.6
125.02357	3.6
125.09608	1.1
127.11195	1.5
129.09081	0.8
133.02905	0.7
135.04390	2.9
137.02316	3.0
137.09618	2.5
143.03410	2.6
149.02290	0.7
151.03920	8.2
152.04726	0.9
155.10794	0.7
161.02292	0.8
161.04453	7.1
163.03885	0.7
165.12750	0.9
171.10176	22.8
173.04463	2.1
175.03851	0.7
177.12714	0.9
179.05515	2.8
183.13853	4.1
185.11777	1.8
191.05562	9.1
192.05913	0.9
193.12305	1.2
196.03757	3.1
201.11235	1.0
209.11783	1.1
211.06004	1.1
211.13319	13.7
221.11755	2.3
227.07204	1.1
229.14436	10.9
239.12805	2.1
253.09268	41.1
254.09583	1.5
269.04550	1.3
291.19751	2.8
309.14917	1.2
309.20712	2.0
327.21759	100.0
328.22162	8.2
329.13678	1.2
341.14038	1.4
341.26804	1.6
353.14224	1.6
359.14877	2.3
359.28198	3.7
359.32382	0.7
371.15005	2.7
383.24438	1.3
401.25540	2.2
453.45471	0.8
503.13623	2.0
503.32321	15.4
504.32434	1.8
521.33264	5.6
563.21942	1.5
563.30646	5.8
564.16418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
57.03316	2.5
59.01250	22.0
61.98696	0.5
62.59096	0.4
69.03313	2.4
69.43269	3.4
71.01254	11.3
72.99182	1.2
73.02814	2.8
74.66270	0.4
81.03336	0.4
83.01245	1.7
83.04897	0.8
85.02821	12.5
87.00749	1.9
89.02325	8.2
93.03320	1.4
95.01242	1.2
95.04905	0.6
96.95903	0.7
97.02824	1.6
97.06458	2.8
99.00761	1.8
101.02323	10.1
109.02800	1.2
111.00768	0.4
111.04386	0.5
113.02338	5.3
119.03407	2.2
119.04881	3.0
123.04364	0.5
123.07976	0.6
125.02334	1.3
125.09600	1.5
127.03841	0.5
127.11160	1.9
131.03415	0.6
134.03598	0.5
135.04379	1.4
136.03871	0.5
137.02328	2.0
137.09648	2.2
143.03407	0.7
149.02406	0.3
151.03897	1.2
152.01112	0.5
155.10655	0.9
155.14331	0.4
159.02765	0.4
161.02356	0.4
161.04460	4.0
164.51759	0.3
165.12750	1.1
171.10181	23.8
172.10556	0.5
173.04477	1.3
177.01833	0.5
177.12712	0.7
179.03415	0.7
179.05505	1.1
183.13815	3.7
185.11719	0.9
191.05537	9.2
193.12207	1.0
194.05704	0.5
196.03717	0.5
199.03882	0.5
199.13422	0.4
201.11276	1.4
209.11758	1.4
211.06003	0.5
211.13332	14.4
212.13637	0.8
221.11739	2.3
227.03426	1.3
227.12830	0.6
228.04189	0.6
229.14398	10.2
230.14658	0.6
239.12799	1.4
253.09259	29.6
254.09637	0.9
283.13382	1.4
291.19812	2.4
301.14536	0.4
305.53891	0.4
309.14877	1.3
309.20679	1.6
311.12778	0.7
327.21753	100.0
328.02838	0.4
328.22098	7.5
329.13901	0.4
341.13904	1.6
345.16968	0.6
359.27902	0.9
371.14883	6.1
372.15198	0.7
391.23886	0.4
401.25491	1.0
468.10242	0.4
503.32275	5.3
504.32565	0.5
521.33234	2.5
563.22174	0.6
563.30841	2.8
564.30054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.03323	1.8
58.00470	1.2
59.01254	100.0
60.01601	0.8
65.30388	0.5
69.03332	0.6
69.50412	1.7
69.50836	2.3
71.01257	40.3
72.01607	0.8
72.99194	2.2
73.02824	17.6
75.00809	0.7
83.01258	4.6
85.02829	14.9
85.99975	0.6
87.00766	2.2
89.02321	26.6
95.01273	2.9
96.95918	0.6
97.02843	1.6
99.00760	28.6
99.94122	0.5
100.01054	0.7
101.02327	24.1
111.00768	2.7
111.79189	0.5
112.01588	1.3
113.02337	20.8
119.03391	6.3
125.02326	3.5
129.01854	0.7
131.03383	4.0
143.03410	3.1
149.04475	12.0
151.03938	0.7
155.03468	0.9
159.02925	1.7
159.04256	0.6
161.04480	8.9
179.05600	1.4
182.02226	0.7
185.05975	0.6
191.05542	12.8
193.05067	0.6
198.62808	0.6
203.05547	4.4
225.14972	0.7
227.07066	7.3
227.16512	5.4
228.07416	0.6
233.06535	2.6
359.15045	0.9
371.20789	4.9
389.21872	13.2
390.22186	1.3
423.30191	0.6
431.23001	6.8
432.23169	1.3
503.18564	0.7
503.25247	3.8
521.26050	27.7
522.26465	4.3
563.27130	71.1
564.27484	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	563.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
56.99689	0.5
57.03331	2.5
58.00481	1.3
58.58105	0.4
59.01254	100.0
60.01593	1.3
71.01257	36.8
72.99188	1.3
73.02821	17.9
75.00745	0.6
81.03304	0.9
83.01263	4.0
85.02828	12.4
87.00771	2.0
89.02320	23.7
95.01301	3.0
97.02851	1.7
99.00760	31.8
100.01144	0.8
101.02324	18.8
109.02818	0.9
111.00760	0.6
112.01566	1.0
113.02337	17.6
114.02666	0.5
119.03409	5.3
125.02370	2.1
127.03933	0.8
131.03412	4.4
143.03401	3.0
149.04465	11.9
155.03386	1.0
158.85098	0.5
159.02983	1.2
159.04398	0.5
160.05231	0.5
160.48584	0.5
161.04471	7.4
162.47336	0.5
172.05246	0.5
173.16278	0.5
179.05603	0.9
191.05553	10.8
203.05536	4.2
227.16618	0.9
233.06667	2.0
278.07004	0.5
293.08813	0.7
295.09457	0.6
323.18692	0.9
329.13925	1.0
339.19397	0.6
344.12625	1.3
359.15118	2.7
371.20850	2.2
389.21851	7.7
431.22867	8.0
451.89084	0.6
503.19016	4.4
503.25137	9.6
504.19177	0.8
504.25751	0.9
521.26227	32.8
522.20093	0.7
522.26599	5.0
563.27112	49.6
564.27362	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	563.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.3
57.03328	3.4
58.00468	0.9
59.01252	100.0
60.01582	0.8
69.03319	1.1
69.29503	5.1
69.29909	1.2
71.01255	38.3
71.04906	1.2
72.99173	3.9
73.02818	13.1
75.00738	0.8
81.03338	0.9
83.01274	5.0
85.02828	19.7
85.99967	0.6
86.03117	0.7
87.00755	4.2
89.02321	22.3
93.03354	0.8
95.01232	4.4
95.74435	0.6
96.95889	5.9
97.02862	3.0
99.00757	14.4
101.02324	21.0
101.02999	1.1
102.02673	0.8
108.02090	0.8
109.02858	1.4
111.00764	3.2
111.04353	0.8
112.01571	1.7
113.02336	26.0
115.03907	1.2
119.03410	5.9
120.41702	0.6
125.02351	2.2
127.03904	0.7
127.07552	1.6
129.01851	1.4
131.03389	2.8
137.02368	1.5
139.07542	1.5
141.09094	0.8
143.03409	4.4
149.04459	8.5
151.03946	1.3
153.09113	1.8
155.03409	1.2
155.10683	4.8
159.02893	1.3
161.04465	11.0
177.01894	0.8
179.05580	1.9
191.05588	3.8
191.74411	0.7
203.05551	1.0
209.15401	1.2
221.71297	0.8
227.07065	1.8
227.16513	6.4
233.06587	1.8
293.08759	1.5
323.18713	0.8
371.20892	2.1
389.21774	7.5
390.22073	1.0
399.41870	0.7
431.22879	6.4
432.22928	0.8
503.24985	25.2
504.25238	2.5
521.26044	31.6
522.26343	5.3
563.27081	46.1
564.27679	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	563.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98677	6.3
63.59909	6.8
70.50662	6.1
71.01264	9.4
71.58752	11.8
86.22466	5.6
126.40617	6.8
140.80775	6.1
151.76822	5.9
168.36295	6.9
233.51001	6.4
291.19574	38.5
471.63721	6.2
503.33984	10.3
527.28290	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	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11231	1.6
57.03310	3.8
59.01250	100.0
69.49523	11.6
71.01256	13.2
73.02821	4.2
79.68661	1.9
83.04830	1.8
85.02824	5.4
87.00732	5.3
89.02315	11.5
93.03316	2.8
96.95901	3.5
97.06433	2.1
99.00755	3.5
101.02323	9.5
109.02843	3.6
113.02325	8.7
114.34355	1.4
119.03377	4.2
120.05773	1.8
125.02293	1.9
131.03365	1.9
135.04364	3.4
136.01550	5.2
137.02368	3.1
139.63925	1.5
143.03351	1.8
149.04501	2.8
149.05936	6.2
151.03929	10.2
151.05974	3.5
161.04399	3.2
161.09599	4.1
161.13225	4.2
162.06847	1.9
163.11218	3.2
165.05489	1.6
173.04446	2.5
185.06084	1.5
187.09636	1.9
187.11214	7.0
189.09047	2.8
190.32353	1.7
191.05499	7.1
191.07002	2.0
205.08533	2.6
205.12218	3.5
207.10225	3.9
209.08226	2.7
223.13341	40.7
227.07080	13.2
249.11241	6.7
267.12399	17.5
295.10257	2.8
313.11536	8.1
329.14011	9.7
337.67886	2.0
359.14917	6.8
401.25812	1.6
503.13333	2.3
563.23322	59.8
564.24048	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	563.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.5
57.03326	5.3
59.01251	100.0
60.01593	2.8
69.96252	6.5
71.01255	29.3
72.01601	1.6
72.99175	2.7
73.02824	8.8
73.05639	1.3
81.03339	1.2
82.03952	1.0
83.01250	4.2
83.04919	1.6
85.02823	13.1
87.00748	5.9
87.03299	1.0
89.02319	13.7
95.01254	4.2
96.95906	2.4
99.00763	9.0
101.02327	13.4
109.02848	5.4
113.02353	13.7
119.03406	4.7
119.04913	1.5
121.02782	1.7
121.15973	1.1
123.04395	1.3
125.02361	2.3
135.04399	1.1
143.03423	1.8
143.04903	3.4
143.16635	1.3
149.04489	1.7
151.06020	1.5
153.09143	5.9
154.09415	2.8
159.04456	4.4
159.08076	1.7
160.05202	5.5
161.04535	2.8
161.05951	2.2
161.09601	3.5
161.13249	2.6
163.03902	1.2
163.11218	3.0
172.05223	1.6
173.05969	4.0
175.06064	1.1
175.07558	5.4
178.06229	1.3
184.20186	1.0
185.05977	9.8
187.07571	2.0
187.11255	6.1
189.05586	1.4
189.09111	2.9
191.05563	3.6
205.12347	2.5
207.10196	1.4
223.13370	23.4
224.13693	1.2
225.14949	4.7
226.15280	3.8
227.07098	68.4
227.15440	1.4
228.07449	6.1
241.05075	3.5
249.11296	6.1
267.12347	9.4
269.08264	1.9
295.09875	4.7
298.08212	1.6
299.09229	1.3
308.51627	1.3
311.09268	5.0
313.11108	9.7
326.11615	3.8
329.10269	2.3
329.13977	14.1
330.14059	1.7
341.13980	4.3
344.12582	8.5
359.15045	18.7
360.15463	2.1
383.11456	1.8
389.15918	1.7
430.21902	1.4
479.92526	1.3
503.19290	40.1
503.26361	2.6
504.19473	7.7
521.20520	20.3
522.20490	3.3
562.26288	1.4
563.23840	37.4
564.24487	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26294	0.9
55.01759	1.8
55.80106	1.1
57.03323	2.5
58.00470	1.9
59.01254	100.0
60.01595	1.6
61.98688	3.0
67.01744	1.3
69.03339	1.6
69.58117	4.2
69.58524	4.0
71.01257	61.1
72.99180	2.8
73.02823	46.1
73.22173	0.9
75.00758	2.1
83.01260	13.4
84.23763	1.1
85.02828	17.9
85.47694	1.3
87.00757	4.2
88.98676	1.7
89.02314	19.4
93.03363	1.3
95.01247	6.4
96.95899	3.6
97.02817	1.4
98.02341	1.1
99.00764	5.9
101.02329	50.6
108.02037	2.5
108.28249	1.1
109.02831	4.9
109.39574	1.1
111.00767	2.0
113.02336	33.1
114.02676	2.0
119.03379	7.2
119.04908	2.5
121.02843	3.2
122.03641	4.0
123.04404	4.0
125.02341	3.0
131.03403	3.3
131.11775	1.1
134.03632	1.7
135.04419	3.7
136.01572	4.5
137.02336	3.3
143.03401	3.9
148.05389	1.0
149.02303	1.6
149.04440	3.6
149.05977	3.1
150.03209	1.6
151.03920	9.2
159.04448	5.7
160.04120	1.4
160.05229	9.7
161.02341	1.6
161.04463	12.0
161.05952	3.7
164.04800	1.3
171.04411	1.6
172.05235	5.4
173.04544	1.4
173.05972	5.6
175.04008	1.3
175.07523	5.7
179.05482	2.3
187.07576	1.9
188.04683	1.2
189.05499	10.0
190.06279	12.5
191.05527	4.3
196.03651	2.4
205.08667	11.8
209.02740	1.3
221.06709	1.4
223.13300	1.8
281.08206	4.8
296.10660	6.1
297.43332	1.2
311.12851	11.0
326.11597	1.5
329.13846	8.5
330.14423	1.7
341.13943	55.8
342.14392	6.5
359.14975	4.3
371.11313	1.7
389.21713	1.5
503.19214	14.3
503.25497	2.2
504.19583	2.2
521.20038	3.0
521.26465	2.9
563.27954	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35163	0.5
57.03323	1.0
59.01252	15.1
69.03335	0.5
69.40700	1.2
69.41111	4.0
71.01261	5.3
72.99240	0.4
73.02825	1.9
78.57866	0.5
79.11080	0.4
83.01269	0.8
83.04879	0.4
85.02827	1.4
87.00771	1.0
89.02325	4.2
93.03356	0.9
96.95881	0.9
98.19804	1.0
99.00764	3.5
101.02342	3.2
107.04922	0.5
109.62789	0.5
113.02322	1.9
116.13647	0.5
117.03365	0.5
119.03429	1.0
121.02862	3.2
122.03627	1.3
123.00780	0.9
124.01555	0.7
125.02368	0.8
126.32996	0.4
131.03362	0.6
132.15114	0.5
135.04420	1.0
136.01512	1.0
136.05228	0.9
137.02374	1.4
137.06065	0.7
138.03136	0.5
143.04916	0.9
145.02869	0.5
147.04449	1.8
149.02354	2.1
149.04446	2.0
150.03127	5.2
151.03938	1.0
151.06013	0.5
153.05524	0.7
158.03661	2.3
159.04439	8.7
160.05219	28.1
161.04514	0.9
161.05981	6.7
161.09656	0.9
161.13326	0.8
163.03946	5.6
164.04706	5.8
168.04210	0.5
173.05998	3.6
174.06828	0.5
175.07567	25.3
176.04720	1.5
176.07890	1.7
177.05478	7.7
177.06906	0.8
178.06284	7.4
179.03452	0.7
179.06738	0.5
179.10728	0.9
187.11227	1.0
189.09100	0.5
191.03969	0.5
191.05525	2.3
191.07065	0.7
192.07843	1.0
193.08621	1.9
205.12338	0.8
207.10289	0.6
223.13304	2.6
249.11287	0.9
267.12387	0.7
269.04556	24.5
270.04962	1.7
313.11377	0.9
314.11572	0.8
329.13947	100.0
330.14288	10.4
339.91843	0.6
341.10352	0.9
359.14969	1.8
371.11365	1.4
383.11267	1.3
401.12064	0.9
431.23602	0.9
521.26117	1.8
550.96912	0.5
563.24261	7.1
564.23657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03310	0.8
58.00472	0.6
59.01253	53.5
60.01580	0.7
61.98701	0.6
65.03842	0.9
65.14858	0.4
69.03335	0.7
69.15298	0.4
71.01256	13.5
72.99190	2.5
73.02820	8.4
75.00761	0.7
81.03347	0.8
83.01248	2.2
83.04909	0.6
85.02827	7.9
87.00769	2.1
89.02316	5.8
91.01771	0.5
92.02573	0.9
93.03338	90.6
94.03671	2.6
95.01262	1.9
96.95884	1.0
97.02840	1.3
99.00760	10.3
101.02320	9.7
105.03338	0.6
107.04922	3.8
108.02060	2.7
109.02831	1.3
111.00752	0.9
113.02337	14.6
119.03417	0.9
119.04914	2.4
121.02846	44.8
122.03184	1.4
123.04429	0.6
125.02344	3.5
127.03922	0.6
131.03386	1.9
133.02817	1.1
134.03665	0.8
135.04405	3.3
136.01541	1.8
137.02347	81.0
137.09590	0.6
138.02670	3.0
139.03851	0.5
143.03432	2.5
149.02332	1.2
149.09587	0.6
151.03899	4.3
159.02934	0.4
159.04411	0.4
161.02342	1.5
161.04440	2.3
161.05748	0.5
163.03920	0.9
163.07553	0.8
164.07796	0.7
171.10214	2.0
173.04515	2.2
173.05823	0.4
175.03929	1.0
175.07474	0.5
177.01764	0.8
177.05542	0.5
178.02437	0.6
179.03400	1.8
181.12379	0.5
183.04440	1.9
183.08047	0.5
191.05559	7.2
193.05043	0.8
193.08582	0.5
197.06030	11.1
197.09746	0.6
198.06325	0.7
199.07576	5.9
199.64470	0.5
201.11278	0.5
203.05446	0.7
205.04994	0.6
209.05989	1.1
210.06274	0.5
211.13399	0.9
225.05582	0.9
227.07091	100.0
228.07445	6.5
247.10007	0.6
251.05702	0.6
253.09286	2.2
263.05573	0.6
275.07770	0.8
281.06683	8.2
281.15424	2.2
282.06989	0.8
293.08768	0.6
299.16614	2.1
323.07736	1.8
327.16272	0.5
327.21695	5.4
341.09039	0.5
341.13733	0.5
359.14896	1.2
369.11853	3.1
371.14902	0.8
389.16180	0.6
391.97556	0.5
395.09921	2.4
399.66110	0.4
413.05270	0.7
413.10846	15.4
414.11157	1.4
417.29251	0.5
455.11932	24.7
456.12051	2.5
502.31036	0.8
503.14505	0.6
503.32230	3.2
519.24744	0.6
521.16608	5.3
521.33136	1.6
522.16687	0.6
563.16833	3.5
563.29828	2.5
564.17896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	50.0
69.64095	17.5
69.64514	6.1
71.01250	27.8
72.99181	4.7
73.02828	8.7
83.01267	4.5
85.02829	11.1
87.73937	2.6
89.02319	11.6
90.02596	3.3
93.03356	13.0
96.95889	6.3
98.20499	6.1
99.00750	9.0
101.02335	18.4
102.59274	3.0
109.02839	5.9
113.02353	14.1
119.04923	34.9
123.04424	6.1
125.02354	3.7
135.04462	9.3
136.01572	28.1
137.02391	21.2
138.02089	3.5
143.04907	4.1
144.35645	3.1
149.04411	3.2
149.05981	13.0
150.03128	4.8
151.03929	41.5
152.04405	6.2
159.08118	3.7
161.02344	3.6
161.04567	4.8
161.05949	3.8
163.03908	5.0
173.04504	4.2
177.05569	3.3
179.05533	3.8
185.06000	11.4
191.05576	15.5
193.05000	6.7
195.06557	28.2
196.06938	4.4
223.13394	4.2
227.07098	100.0
228.07332	5.3
315.08987	6.1
315.12396	22.7
320.66827	3.7
329.13937	34.1
357.13431	8.7
358.13730	11.3
359.14627	26.2
383.11295	7.2
413.43930	3.4
431.13657	3.7
503.14539	6.0
503.25394	4.2
521.16437	12.0
563.17401	12.0
563.26941	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	563.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68605	0.5
55.01752	1.0
56.04556	0.5
57.03318	1.6
59.01252	51.5
61.98709	0.7
65.03808	0.8
67.01775	1.0
69.03320	1.0
71.01255	14.3
71.07433	1.2
72.99168	2.9
73.02815	8.1
83.01262	3.2
85.02824	8.5
87.00761	1.2
89.02319	6.8
93.03335	93.6
94.03684	2.7
95.01257	2.3
96.95893	1.2
97.02814	1.7
99.00162	1.0
99.00760	11.8
101.02332	9.6
107.04871	3.8
108.02055	2.2
109.02846	1.6
111.00777	1.4
111.04371	0.8
113.02334	13.4
113.03143	0.7
119.03397	1.2
119.04874	2.9
121.02844	47.1
122.03194	1.1
123.04391	1.0
125.02353	2.2
131.03404	2.1
133.02843	1.5
133.12857	0.6
134.03610	0.8
135.04414	3.4
136.01553	1.9
137.02345	81.3
138.02719	2.6
140.95079	0.7
143.03395	2.3
149.02376	1.2
149.04517	0.6
151.03886	3.3
159.45842	0.6
161.02383	1.4
161.04449	3.3
161.05772	1.0
162.03053	0.6
163.03915	0.9
163.07501	0.6
169.01334	0.5
171.10168	2.2
173.04503	2.5
175.03865	0.8
177.01956	0.9
177.05478	1.1
178.02626	1.0
179.03433	2.2
183.04485	1.7
191.05537	8.6
192.06018	0.6
193.04987	1.2
195.06548	0.7
197.05994	12.1
197.11705	0.8
199.07556	5.6
200.07985	0.6
203.05598	0.8
209.06030	0.7
211.13287	1.3
225.05675	0.8
227.07094	100.0
228.07465	6.5
229.14462	0.9
251.05444	0.7
253.09225	2.1
263.05579	1.2
275.07611	0.9
281.06680	7.6
281.15427	1.6
299.16473	1.8
323.07748	1.2
327.21698	6.2
345.17047	0.7
359.15018	1.0
369.07864	0.7
369.11798	3.6
371.14941	1.2
395.09860	2.5
413.10876	13.0
414.11060	0.8
453.22589	0.6
455.11911	21.2
456.12369	2.2
502.31302	0.6
503.32217	4.0
521.16595	5.3
521.33191	1.5
563.17255	2.7
563.31592	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	561.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58244	1.4
57.44137	1.3
59.01248	21.3
60.39548	1.4
69.25945	2.5
69.26286	17.3
71.01265	4.5
73.02779	1.2
87.07200	1.4
89.02306	2.7
96.02616	1.3
101.02297	3.7
113.02369	1.9
113.07190	1.4
139.96571	1.4
161.04553	1.5
191.05547	2.0
235.08124	2.8
253.09265	11.1
265.21725	100.0
266.22058	9.0
369.06186	1.6
424.89941	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	563.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	11.9
59.01257	86.7
60.99176	10.5
69.48573	24.9
71.01251	39.0
72.99185	64.5
73.02826	4.7
74.87669	3.7
75.00755	17.9
85.02344	6.8
85.02825	100.0
87.00741	19.0
89.02324	97.1
99.00771	11.0
105.01784	5.5
111.00778	5.8
113.02338	4.0
115.00266	18.8
117.01830	59.7
123.00800	4.8
129.01833	18.5
133.01326	90.5
135.02867	12.2
135.04436	3.6
137.02333	4.9
138.03203	3.3
145.01312	22.2
147.02908	16.1
149.02341	4.0
150.03085	12.5
153.05447	5.5
161.00877	9.1
161.02213	3.8
165.05429	7.3
173.00868	20.4
178.06252	3.9
179.03479	7.6
179.05348	3.6
179.07028	9.0
181.04936	4.2
191.01875	57.7
191.03419	7.2
191.05533	5.3
193.08641	5.3
194.02144	4.4
194.05795	14.3
197.04515	6.7
209.02890	27.1
209.04588	3.7
209.08130	11.5
213.29045	3.9
221.02969	19.8
234.05183	4.0
249.64967	3.6
262.04803	6.5
265.07092	5.6
277.07217	17.7
282.27710	3.8
337.09375	25.3
563.16296	50.1
564.16846	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	561.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.7
56.72974	0.9
57.02207	0.8
57.03316	4.6
58.00460	2.1
58.62011	0.7
59.01251	100.0
60.01585	5.9
61.01656	3.5
61.98685	1.0
65.27804	0.7
69.03328	1.8
71.01255	48.1
71.59351	0.8
72.01594	4.0
72.99162	2.2
73.01658	1.0
73.02822	31.0
74.03155	4.8
75.03248	2.3
78.29046	0.8
81.03329	1.6
83.01263	11.3
83.04879	1.0
84.01583	1.2
85.01683	1.0
85.02830	13.3
86.31441	0.8
87.00751	5.1
87.04425	0.9
89.02320	19.3
90.02641	1.0
93.03319	2.5
95.01250	3.1
96.95880	1.0
97.02817	1.0
97.06459	1.2
99.00775	4.5
99.26542	0.8
101.02323	43.0
102.02647	5.4
103.02747	3.2
109.02827	1.5
109.06485	1.6
111.07998	1.4
113.02339	16.3
114.02645	2.7
115.02775	0.9
119.03474	5.5
119.04919	23.1
120.05256	8.6
121.02919	1.3
121.05533	1.3
121.06425	1.5
122.48425	0.7
123.04383	4.4
123.08057	8.0
125.02335	5.0
125.09586	1.1
131.03357	2.2
135.04387	3.6
136.48547	1.0
137.02304	1.9
137.09598	1.8
139.11160	3.3
142.02557	2.0
143.03354	2.6
147.04346	0.9
148.05005	0.8
149.02303	1.2
149.04385	2.6
149.05960	1.5
150.04803	0.9
151.03871	3.4
151.11102	1.9
155.03366	1.2
155.14297	1.8
159.04355	2.8
160.04663	1.1
161.02396	0.8
161.04463	9.9
161.05739	1.6
162.04785	1.2
165.09053	1.0
169.01247	1.0
171.10165	10.4
173.05939	1.0
174.06702	2.2
175.07133	1.1
177.05534	1.8
178.05835	1.0
179.05502	1.3
183.10080	1.1
185.11700	1.4
188.07976	1.0
191.03645	0.9
191.05492	3.3
197.02654	0.9
197.11790	1.8
199.13341	15.4
201.11244	1.3
202.06192	3.0
203.07001	4.4
204.07272	2.0
205.07481	1.5
209.11746	1.4
213.11324	1.6
215.07123	6.1
216.07536	6.5
217.08699	20.5
218.08992	14.2
219.09114	8.0
233.80368	0.9
240.67888	0.8
242.84578	0.8
243.09680	0.9
245.19061	5.3
247.16931	1.5
253.09274	16.7
257.86020	0.8
258.37784	0.8
263.20334	0.8
271.16977	1.7
277.07605	0.9
279.06421	1.0
289.18094	38.6
290.18411	3.1
291.19452	1.2
306.11987	1.2
307.19135	55.2
308.19513	5.1
309.14612	0.8
322.11832	2.4
323.12347	1.8
324.12653	3.2
325.20184	7.9
337.10675	1.0
337.14490	8.7
338.14786	12.3
339.15106	15.5
339.25333	1.1
340.15204	1.2
343.07721	0.8
356.15891	0.9
357.16754	1.3
357.26355	3.5
369.13281	1.0
399.23709	1.1
501.30951	8.6
502.30988	1.3
517.20874	1.5
519.31091	2.9
561.28967	63.9
562.29272	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	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.9
57.03320	4.3
58.00467	1.4
59.01254	100.0
60.01595	1.1
69.03326	0.9
69.45651	1.9
69.46077	2.1
71.01254	38.5
71.04887	1.3
72.01590	0.7
72.99189	2.3
73.02823	15.8
75.00756	1.2
81.03328	0.9
83.01254	4.2
85.02826	13.9
85.03349	0.8
87.00766	2.2
89.02319	25.4
92.92210	0.4
95.01278	3.1
95.04922	0.7
96.95918	0.7
97.02820	3.1
98.39793	0.4
99.00761	27.0
101.02325	19.3
104.70839	0.5
104.92709	0.5
109.06447	0.5
111.00754	1.2
111.04429	1.4
112.01559	1.2
113.02334	19.7
114.02618	0.6
115.00157	0.4
119.03393	3.4
122.03570	0.6
123.08016	0.6
125.02367	4.8
125.05997	0.5
129.01801	1.2
131.03401	4.3
135.04402	0.7
137.02318	0.8
137.05940	0.5
137.09659	1.2
138.06769	12.9
143.03441	2.2
149.04463	11.4
149.09636	0.8
151.07573	0.8
153.09120	36.0
154.09450	1.3
155.03374	0.6
159.02902	1.6
161.04480	10.2
161.05832	0.7
163.11237	0.8
179.05592	0.9
187.11241	1.9
189.09189	0.6
191.05533	6.7
191.07111	0.6
203.05544	1.7
205.03485	0.5
205.12253	0.7
207.13812	4.2
223.13467	1.1
225.14914	58.1
226.15256	3.5
233.06610	2.9
249.11319	2.5
267.12332	2.3
293.08755	1.5
321.17197	0.6
339.12500	0.6
369.19202	10.2
370.19620	1.1
387.20267	12.6
387.24985	0.9
388.20837	1.5
397.75977	0.5
406.39413	0.6
429.21304	21.0
430.21652	1.8
441.18262	0.7
501.23499	2.8
519.24487	27.4
520.24725	2.9
543.20691	0.5
561.25647	79.1
562.26068	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	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11930	0.3
54.10654	0.3
55.01757	1.3
57.03326	2.6
58.00467	1.8
59.01252	100.0
60.01585	1.0
69.03329	0.7
69.47050	2.5
71.01255	43.6
71.04900	0.5
72.01610	0.9
72.99184	3.0
73.02818	16.0
74.02338	0.3
75.00756	1.2
76.27726	0.3
78.44435	0.3
79.78059	0.4
81.03324	1.0
83.00750	0.4
83.01254	6.0
83.62373	0.3
85.02823	14.7
87.00756	4.3
89.02318	31.2
90.02631	0.4
93.03322	0.7
95.01262	3.8
96.95271	0.6
96.95890	10.8
97.02834	2.2
98.19756	0.6
99.00757	27.6
99.04401	0.6
100.01129	0.4
101.02324	27.4
102.02653	0.6
109.02850	1.0
111.00784	1.7
111.04416	0.6
112.01559	0.6
112.13710	0.3
113.02332	20.0
114.02710	0.5
115.03828	0.4
119.03388	7.6
119.04884	0.6
121.02799	0.8
123.04427	0.5
123.08061	0.3
125.02338	6.0
127.03902	0.3
128.03401	0.4
129.01851	0.9
131.03375	4.1
134.03583	0.5
135.04413	0.7
135.05460	0.3
137.02335	0.9
137.09613	1.1
138.03079	0.5
143.03409	3.7
143.76421	0.3
149.04474	8.2
151.03929	0.5
151.11218	0.8
153.05539	0.6
153.09119	1.0
155.03375	0.8
159.02892	1.5
161.02385	0.6
161.04463	8.6
163.11221	0.4
173.04501	0.5
173.09714	0.4
179.03551	0.5
179.05525	2.1
181.12241	0.6
187.11148	0.4
189.12784	1.2
191.05548	9.1
193.05069	0.4
193.31778	0.3
195.13806	1.3
203.05534	2.9
205.12332	0.7
206.36368	0.3
207.13777	1.5
209.11760	0.4
225.05760	0.4
225.14908	8.2
233.06612	1.0
237.07660	0.4
247.13408	0.3
252.90228	0.3
267.15982	0.6
289.07224	0.8
293.08765	0.5
297.17154	0.4
306.07565	0.5
321.17145	1.4
339.12363	0.6
351.18448	0.4
357.13412	0.9
369.19153	12.0
370.19458	1.0
387.20242	23.2
388.20706	2.0
413.18231	0.4
429.21271	16.5
430.21463	1.5
435.10956	0.5
479.85538	0.3
501.23459	3.1
502.22821	0.4
517.22913	0.4
519.24463	28.8
520.24731	3.9
561.25519	57.4
562.25793	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	561.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97186	0.5
57.02284	0.6
57.03329	1.5
59.01251	24.6
60.01587	0.6
65.03858	1.4
71.01257	9.8
71.04904	0.9
71.07572	1.2
72.99170	0.7
73.02827	4.0
78.97690	0.5
83.01256	1.7
85.02805	3.3
87.00763	1.5
88.71298	0.6
89.02324	4.3
91.05406	2.8
93.03330	1.8
95.01239	0.8
95.04880	0.8
96.95908	1.5
97.02853	1.0
97.06463	0.9
99.00743	1.8
101.02317	6.7
109.02837	14.9
109.06466	3.3
113.02349	4.8
118.87042	0.5
119.03350	1.6
119.04900	2.4
121.01958	1.2
121.02846	23.8
122.03647	1.3
123.04415	1.6
124.01538	1.5
125.02361	3.0
134.03618	1.6
135.04420	37.1
136.01511	0.8
136.04712	0.8
137.02325	2.7
139.02881	0.7
143.03349	0.7
146.03658	0.6
147.04440	3.3
148.05191	2.1
149.02336	0.9
149.04437	1.2
150.03128	2.3
151.00221	0.7
151.03917	16.3
151.05058	1.2
153.01872	0.6
161.04495	2.1
162.88988	0.6
163.03920	6.6
163.07549	2.6
163.11221	0.6
164.04694	2.4
165.05385	0.9
171.10178	2.1
175.07588	1.0
176.04662	0.7
176.08385	1.0
177.05458	3.4
177.09100	0.9
179.05457	0.6
185.11784	1.3
189.09131	4.9
191.05521	2.4
191.07103	4.6
191.10703	2.3
193.08548	2.8
196.03659	1.0
197.11777	4.5
199.13319	0.8
201.09155	0.8
202.09937	0.6
203.10721	11.1
204.11105	0.7
205.08652	16.0
206.09337	3.1
207.10149	1.3
209.11781	2.2
211.13264	2.6
215.10681	4.7
217.08606	1.6
218.09273	0.9
219.10225	16.7
220.10831	1.9
227.12827	0.7
235.09845	0.8
235.13374	0.9
237.11279	1.5
237.14914	0.6
253.09271	5.4
273.07715	6.5
288.10056	4.0
289.07257	1.1
289.18005	0.8
299.09317	0.6
307.19131	4.0
325.14444	15.0
325.20227	12.7
326.14792	1.3
339.12305	1.2
341.13846	1.0
342.14722	19.8
343.15158	1.8
356.16235	1.3
357.17072	100.0
358.17435	10.5
369.13220	0.8
381.23270	0.9
399.24246	0.7
501.21484	2.3
501.30603	5.5
502.21494	0.7
519.22400	2.6
519.31555	1.3
543.28204	0.9
561.23218	1.8
561.32898	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	561.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.6
55.90806	0.6
57.03329	2.0
59.01254	100.0
60.01585	1.0
61.98704	1.3
64.70135	0.8
65.53079	0.7
68.86057	0.7
69.03349	0.9
69.26360	4.7
69.26785	3.5
71.01260	35.9
72.99191	1.9
73.02822	18.3
79.00013	0.7
83.01264	4.7
85.02831	16.3
85.03288	1.3
87.00784	2.3
89.02329	13.9
91.22546	0.7
93.03366	1.0
95.01269	2.7
96.95892	1.9
97.02841	0.9
99.00772	18.5
101.02326	19.8
107.18867	1.0
109.02855	2.0
109.46417	0.7
112.01589	1.2
113.02340	13.4
115.77409	0.7
119.03438	2.7
119.04961	2.6
121.02851	0.8
125.02373	2.1
129.01855	1.3
131.03419	3.2
135.04430	4.9
136.04828	1.0
136.95229	0.9
141.01671	1.2
143.03430	1.8
149.04504	6.4
155.03510	1.2
159.02956	1.5
161.04442	8.5
171.10205	26.9
172.10565	0.8
173.04431	0.9
179.05634	1.1
191.05571	6.9
203.05585	2.2
205.81812	0.9
207.10298	0.9
233.06609	0.9
253.09358	1.4
307.18951	0.9
321.15131	1.2
325.20255	2.3
336.36670	0.9
339.16266	1.7
357.26645	1.2
369.06366	1.0
369.17294	1.7
387.18146	13.8
388.18805	1.5
429.19412	1.7
501.30881	1.6
519.22351	23.7
519.30933	1.8
520.22491	3.6
561.23767	15.6
561.32709	8.5
562.24084	2.4
562.32788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07658	0.7
53.76002	0.7
55.01770	1.0
57.03320	1.9
59.01253	27.5
61.98705	1.2
65.03841	1.2
67.01765	1.3
69.03345	0.9
69.34233	7.2
71.01254	12.9
71.04910	1.1
72.13530	0.7
73.02808	3.9
74.72829	0.7
80.75686	0.7
81.03333	0.9
83.01263	2.0
85.02820	4.8
87.00764	1.6
89.02314	5.8
89.78612	0.7
91.05417	3.3
93.03342	2.6
95.04929	1.4
96.95889	2.6
97.01028	1.1
97.02863	2.0
99.00730	1.6
101.02320	8.8
108.02071	1.4
109.02135	1.3
109.02847	17.3
109.06496	3.5
112.98861	0.7
113.02308	4.5
119.03394	2.0
119.04947	2.2
121.02853	26.0
122.03676	1.0
123.04421	1.7
124.01556	1.4
125.02341	3.1
134.03604	1.5
134.47801	0.7
135.04424	37.9
136.04758	2.1
137.02348	4.0
143.03392	0.9
147.04449	3.6
148.05190	2.1
149.04453	0.9
149.06032	0.7
150.03188	1.6
151.03918	16.3
153.09215	1.0
161.02441	1.1
161.04480	3.0
161.05908	0.9
163.03911	7.6
163.07591	5.3
164.04691	3.2
165.05533	0.9
169.12251	1.0
171.10228	3.9
173.04465	1.2
175.07533	2.0
175.41225	0.8
176.04742	0.7
177.05524	3.2
178.99805	1.1
179.05554	1.4
180.21774	0.8
181.61543	0.9
182.02377	0.9
183.13792	1.3
189.09158	4.9
191.05719	3.9
191.06979	4.2
191.10756	1.8
192.07790	1.3
193.08571	2.5
197.11717	4.9
203.10706	13.2
205.06909	1.5
205.08658	19.5
206.09419	4.1
207.10146	1.9
209.11751	3.1
211.13373	3.4
215.10742	4.7
217.08650	1.3
219.10219	16.9
220.10857	1.8
235.09753	1.4
235.13342	2.2
237.11292	1.6
248.07838	0.8
253.09267	9.8
254.97804	0.8
273.07651	6.1
274.07980	1.2
278.48071	0.8
288.10117	3.9
307.19107	5.2
325.14481	14.6
325.20151	16.2
325.23648	1.3
326.14838	1.8
341.05591	0.8
342.14694	21.2
343.15112	2.0
357.17075	100.0
358.17380	10.0
435.50113	0.8
436.48511	0.8
501.21408	3.5
501.30685	8.2
519.22314	1.7
519.31531	2.9
543.27704	1.0
561.22351	2.6
561.31598	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	561.1405
Annotation	Epiafzelechin-(4beta->8)-epicatechin
Peak:m/z	Relative Intensity
57.03320	6.4
61.64206	0.5
61.66499	0.6
69.03308	0.6
69.77132	1.9
69.77545	1.8
81.03332	2.8
83.01263	4.6
85.02840	0.6
93.03316	3.2
95.01261	1.0
95.04912	2.9
97.02824	8.8
98.19935	1.0
99.04355	0.8
104.88524	0.6
107.04889	1.1
108.02053	1.4
109.02843	24.4
119.04901	0.6
120.02082	1.0
121.02864	4.8
122.03629	1.8
123.04413	18.9
124.01530	0.9
124.04707	0.8
124.42117	0.6
125.02339	40.6
126.02664	1.2
133.02844	3.7
135.04407	2.6
137.02344	21.2
138.03116	1.1
139.03934	5.4
145.02841	0.9
146.03635	1.5
147.04391	0.8
149.02348	7.7
150.02995	0.6
151.03905	10.2
159.04424	3.9
159.62845	0.6
160.05156	1.7
161.02370	4.1
161.05995	7.1
162.03104	1.7
163.00279	2.8
163.03920	2.4
164.01070	18.2
165.01831	7.2
167.03412	2.2
167.74689	0.6
173.05980	1.2
174.03130	0.9
175.03912	3.6
175.07602	1.4
176.01030	1.5
177.01851	6.0
177.05466	0.9
179.03459	7.2
184.05299	0.7
185.06032	2.2
187.03969	6.4
188.04721	3.7
189.05359	1.3
191.03304	0.7
199.07614	1.0
200.04724	0.8
201.05475	0.7
202.06274	2.8
203.03462	0.6
203.07077	14.6
204.07466	0.7
205.01436	3.9
205.04979	8.8
212.04694	0.7
219.02847	0.8
221.08063	3.0
227.07095	2.2
228.04248	1.0
229.04953	1.9
230.05792	0.9
231.06419	0.8
243.02826	0.9
245.08162	15.1
246.08513	1.4
247.06088	2.1
253.05070	1.3
255.02962	2.0
256.03558	1.5
271.06113	12.6
272.06488	1.0
273.07626	7.4
281.04620	0.9
283.06009	0.8
289.07181	100.0
290.07529	7.3
298.33566	0.6
327.03085	0.7
328.05960	3.3
329.06534	4.1
330.07123	0.9
339.08667	0.9
381.09570	0.7
407.07690	10.2
408.08243	2.1
409.09113	0.8
425.08795	1.2
435.10904	8.5
543.12866	1.7
561.13953	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	561.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
59.01252	24.1
62.68362	0.7
69.03295	1.0
70.07554	0.7
70.11478	3.1
71.01255	10.1
72.01579	0.7
72.99159	1.0
73.02827	6.7
80.96369	1.7
83.01271	2.6
85.02829	6.1
87.00770	1.4
89.02319	3.2
93.03355	3.5
95.01283	1.3
96.95911	1.6
99.00758	2.2
101.02326	7.5
104.60447	0.6
108.02101	2.0
109.02827	2.3
111.00786	0.7
113.02360	5.2
113.05237	0.6
119.03408	2.1
119.04930	1.5
121.02865	7.2
122.03613	1.9
123.00745	1.0
123.04441	1.8
124.01434	0.8
125.02281	1.3
128.03566	0.7
131.03378	1.0
133.02859	2.1
134.03624	0.8
135.04422	3.3
136.01564	75.9
137.02238	3.0
143.04558	1.3
149.04480	0.7
149.05933	1.1
151.03920	100.0
152.00951	0.8
152.04259	4.6
159.04497	0.8
160.01726	0.8
160.05244	1.5
161.02336	2.3
161.04518	2.1
162.03214	1.2
163.03952	1.9
166.02606	3.6
175.03909	1.0
175.07594	1.8
176.04865	0.9
177.01895	0.8
177.05487	0.9
178.02580	1.0
179.03394	1.2
181.05019	4.2
191.05559	10.8
203.07068	1.0
205.05270	1.1
205.08687	1.0
221.08253	1.9
225.14943	0.7
255.06892	2.0
256.07330	1.7
262.70599	0.7
273.08987	0.7
306.59857	0.8
309.07874	0.9
339.12482	2.5
342.11050	3.7
357.13437	78.4
358.13745	8.2
369.09872	2.0
412.73697	0.9
417.15457	4.6
418.16211	1.1
439.92975	0.7
501.30307	3.4
543.21356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09105	0.6
57.03333	4.9
59.01254	3.9
69.03329	1.6
69.54062	5.7
71.01244	2.0
73.02824	1.2
79.95581	0.8
81.03333	2.6
83.01252	4.6
85.02822	1.5
87.00739	0.8
89.02332	1.6
93.02833	0.7
93.03326	4.1
95.01307	1.1
95.04903	3.1
96.95870	3.4
97.02834	7.3
98.20511	1.7
99.00745	1.0
101.02318	1.1
107.04923	0.8
108.02067	1.2
109.02840	22.0
113.02325	1.4
113.24058	0.7
121.02869	4.5
122.03625	1.1
123.04404	16.0
125.02340	42.3
126.02670	0.9
133.02853	3.4
135.04413	2.5
137.02341	19.9
138.03116	0.8
139.03885	4.1
146.03642	1.3
147.00696	0.7
147.04419	1.6
149.02350	17.0
149.04359	1.4
150.03035	1.1
151.03906	9.0
159.04413	3.8
161.02351	4.2
161.04697	0.8
161.05969	4.6
162.03096	2.0
163.00269	2.9
163.03876	2.6
164.01073	13.9
164.04710	9.6
165.01843	6.3
165.05464	0.7
175.00244	0.8
175.03931	5.0
175.07526	1.8
177.01892	5.7
177.03203	1.2
179.03427	5.1
181.08603	5.0
183.08109	0.8
185.05963	2.3
187.03893	5.2
187.07582	1.3
188.04689	4.0
189.05461	1.0
190.02562	1.1
191.05547	2.0
199.07597	1.2
201.05489	1.5
202.06255	2.1
203.07080	11.3
204.07465	0.8
205.01366	4.8
205.04979	8.0
215.03346	0.8
217.04930	0.8
221.08138	2.6
223.06071	17.9
223.08112	1.4
224.06453	0.9
227.07050	3.2
229.05011	1.8
231.02956	1.3
245.08188	16.2
246.08606	0.7
247.06142	1.4
253.05019	1.1
255.02888	1.7
256.03806	1.1
258.89926	0.7
265.05371	1.2
271.06082	11.8
272.06363	1.3
273.07620	7.7
283.05939	1.1
289.07181	100.0
289.79977	0.7
290.07544	9.4
312.06448	0.8
328.05823	2.1
329.06628	4.4
339.08453	1.1
369.06158	1.0
381.09924	1.1
395.25616	0.8
407.07626	11.5
408.08215	0.8
425.08929	1.8
435.10788	10.0
436.11139	1.2
517.19366	1.1
543.12994	1.4
561.13483	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	559.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34184	1.0
55.26440	1.3
55.49734	1.3
59.01252	100.0
60.99660	1.3
61.33401	1.2
70.99109	3.5
71.01257	41.9
72.99204	1.6
73.02820	70.6
78.56655	1.3
83.01261	17.9
85.02815	4.2
89.02330	8.5
93.03349	2.9
95.01266	1.9
97.02794	1.5
99.00739	1.7
101.02326	60.4
113.02319	14.0
119.03381	4.7
119.04919	61.0
120.04381	1.3
120.05276	4.0
125.02354	2.3
131.03401	4.4
134.03636	2.2
135.04404	3.6
137.02411	1.7
137.45441	1.1
141.28900	1.2
142.47713	1.2
143.03426	4.0
149.04430	4.6
149.05940	2.9
159.04431	8.4
161.04457	11.9
165.90935	1.3
173.06010	8.0
174.06766	8.1
175.07526	1.3
176.05333	1.3
177.05498	4.3
185.05994	4.5
187.07553	3.8
199.07469	1.4
202.06340	11.6
203.07100	13.8
206.05698	1.7
215.07066	26.5
216.07828	7.8
217.08644	84.3
218.08972	5.3
279.06653	4.3
279.09631	1.3
305.11832	5.8
322.12109	11.5
337.14459	70.4
338.14792	9.5
355.15405	4.4
439.16254	1.6
527.89203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.0
57.03320	4.8
59.01253	45.9
63.34210	2.3
63.81606	2.0
69.26369	24.3
71.01252	8.0
71.04888	6.7
73.02807	4.1
80.02535	2.7
81.03363	2.6
83.01250	2.8
83.04910	12.5
84.02033	2.0
85.02837	2.3
87.00762	2.9
93.03363	6.7
95.04919	2.2
96.54162	2.1
96.95870	3.0
97.02839	8.4
97.06467	7.3
99.00755	34.1
101.02348	5.5
109.02856	3.4
110.30997	2.4
111.00875	3.0
113.02378	3.7
119.04917	3.0
121.02840	3.9
123.08006	5.1
125.09621	14.9
127.74078	2.2
135.04430	15.9
135.08020	2.6
137.02350	10.5
153.12762	2.6
163.11221	29.4
165.12683	2.8
181.12282	59.1
182.12619	3.8
191.10722	2.5
197.11797	3.5
199.13322	16.0
207.10216	45.2
209.11794	100.0
210.12167	6.0
223.11292	3.9
225.11284	91.2
226.11609	3.7
227.12811	18.3
243.12357	53.1
253.09261	6.6
291.19702	3.3
299.15067	10.7
305.17239	3.0
317.16031	46.1
318.16318	2.8
323.22278	10.7
355.15366	7.9
355.25116	3.0
504.55460	2.6
509.27432	6.6
517.29614	2.8
527.28668	87.0
528.29010	13.1
559.31543	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	559.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	24.6
61.98701	2.4
65.13054	1.3
69.26818	1.1
70.90472	1.2
71.01254	8.0
71.57806	2.2
73.02807	2.5
85.02826	3.9
87.00759	1.5
89.02320	2.0
93.03334	17.1
97.02773	1.6
99.00780	4.6
101.02317	2.7
113.02335	5.0
114.40159	1.2
119.04917	100.0
120.05251	3.7
121.02844	26.7
125.09599	1.4
135.04401	2.2
147.04427	1.9
159.04433	5.4
160.05177	1.2
171.04366	1.7
171.10184	1.4
173.06015	4.7
174.06770	6.1
175.07544	3.8
177.05490	3.6
181.12286	1.6
185.06006	9.4
187.07571	2.2
189.01775	2.9
189.05444	1.6
190.06349	1.4
199.07578	2.8
199.13364	2.1
201.09158	7.3
202.06282	6.7
203.07082	39.5
203.10713	3.7
204.07460	2.7
205.08662	3.2
207.10194	1.7
208.08893	9.3
209.09514	1.3
209.11761	5.1
215.07062	12.5
216.07857	4.8
217.08653	51.0
218.09206	5.3
223.09146	2.6
223.11255	44.3
224.11525	5.2
225.11191	1.7
229.08572	3.7
231.10168	1.9
233.11804	6.5
244.07448	8.2
246.08885	4.1
247.09866	1.5
259.09677	11.3
260.10010	2.3
261.11313	4.2
267.07214	4.4
279.06622	1.8
303.12384	2.5
305.11710	8.1
321.11267	2.5
322.12216	12.4
323.12881	5.9
337.14453	40.9
338.14807	6.2
355.15509	92.2
356.16061	9.1
369.10272	1.3
379.15570	11.6
481.19220	1.4
517.20862	7.0
527.28870	6.3
559.21698	6.3
559.30408	3.1
560.23169	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	559.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.4
69.77393	2.9
71.01260	1.8
73.02831	0.5
77.71371	0.4
78.37085	0.4
79.05401	2.4
79.87350	0.4
83.04898	3.9
85.02820	0.7
88.24430	0.4
89.02335	0.6
93.03356	2.1
96.82935	0.4
98.20493	1.1
101.02331	0.7
106.71494	0.4
108.02034	0.6
109.02851	1.9
113.02423	0.6
117.85461	0.4
119.04920	100.0
120.05250	4.1
121.02835	1.5
122.03664	0.5
131.08583	0.7
135.04417	2.3
137.02338	2.2
147.04330	0.5
149.02356	1.2
150.03139	4.7
151.03909	0.8
152.04735	1.2
159.04398	2.7
159.08031	0.5
160.05264	3.2
160.26967	0.5
160.37292	0.4
161.04579	0.5
161.05981	1.6
162.06793	1.1
163.03917	2.1
165.05460	2.6
173.06026	1.3
174.06783	1.8
175.04019	2.9
175.07553	5.8
177.05487	4.0
182.02136	0.6
185.06026	2.7
188.04698	0.9
190.06242	2.9
191.07080	1.0
192.07825	2.6
195.06543	1.8
202.06284	2.3
203.07077	29.2
204.07494	2.0
205.05038	0.8
205.08661	3.1
215.07147	1.9
216.07837	1.4
217.08655	8.9
218.09024	1.1
220.07397	6.0
221.08107	4.4
233.08145	2.6
234.08897	1.7
235.09718	63.2
236.10071	4.1
249.11230	1.2
281.08157	1.6
287.16626	0.8
305.17761	0.6
306.41501	0.6
309.11777	0.9
322.11954	0.7
323.12949	2.1
337.14465	2.2
340.13162	1.7
354.14539	0.7
355.15512	49.7
356.15875	5.9
499.19760	0.5
499.29050	0.9
506.18106	0.5
568.30280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44534	1.1
55.01736	1.5
55.79150	1.4
57.03315	2.0
58.53859	1.1
59.01251	100.0
63.35265	1.1
71.01253	36.8
71.04872	1.2
72.99200	2.4
73.02817	15.2
78.95770	2.2
81.03367	1.3
83.01249	7.3
83.04888	3.0
85.02821	13.7
87.00740	4.8
87.04376	2.2
89.02319	19.1
91.05375	2.4
93.03326	3.0
95.01259	2.9
95.04894	1.8
96.95870	1.7
97.06516	1.3
99.00748	6.7
101.02326	19.9
109.02852	8.5
111.00778	1.6
113.02332	23.2
119.03415	5.9
119.04889	1.5
121.02850	7.5
125.02325	3.5
131.03354	2.0
133.02777	1.8
135.04416	22.3
143.03389	3.5
144.02800	1.2
147.04402	3.3
148.05215	12.1
149.02362	2.0
149.04428	2.9
149.05823	1.3
151.03874	1.9
159.02917	2.2
161.02328	2.0
161.04474	9.7
161.09668	1.5
161.13293	1.5
162.05408	1.2
163.07544	13.3
168.82800	1.6
173.04462	2.0
179.03391	2.2
179.05508	3.8
187.11290	2.3
189.09181	1.3
191.05475	5.1
200.22693	1.2
207.10144	1.8
217.08630	3.8
218.09639	1.8
232.10933	1.8
233.08214	2.6
233.11684	1.9
235.09731	1.3
245.11938	1.8
249.09445	1.8
265.05023	1.3
325.47391	1.8
354.15045	1.5
355.11719	4.1
355.15457	8.0
411.23941	1.5
429.25061	1.7
439.15894	3.4
457.17200	17.2
499.29083	13.3
517.30402	9.1
559.23981	8.5
560.22968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15868	2.9
59.01238	11.0
64.17236	3.3
69.29056	32.6
71.01230	8.0
72.99140	3.1
73.02845	3.2
76.54093	3.2
78.18890	2.9
78.72010	2.9
80.96397	4.2
85.02813	4.5
89.02314	3.4
93.59837	3.4
96.95880	4.9
98.19818	5.1
99.00771	7.5
101.02293	4.1
123.04412	4.4
124.30299	3.2
125.02323	10.1
135.04378	6.3
137.02432	3.5
146.03644	42.0
161.05991	17.9
164.04681	32.7
179.03549	3.5
179.07053	100.0
180.07384	7.4
191.05560	4.7
329.09787	3.0
364.76489	2.9
473.16522	11.4
510.27158	3.5
515.17505	22.5
541.15009	3.7
559.17535	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	559.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.4
59.01249	7.1
67.01706	0.3
71.01253	5.6
71.06960	0.6
71.07304	0.4
72.99203	0.5
73.02823	2.1
75.65935	0.3
75.72713	0.3
83.01256	0.5
85.02840	1.4
87.00759	0.5
89.02329	2.2
91.05421	1.0
93.03344	4.4
95.01305	0.4
97.02835	0.3
99.00760	4.8
101.02329	3.3
108.02099	0.3
109.02838	3.6
113.02342	2.7
119.04918	100.0
120.05259	3.8
121.02846	7.8
125.02360	0.4
131.03433	0.4
133.02844	0.5
134.03583	0.8
135.04416	21.3
136.04779	1.2
137.02298	0.4
143.03453	0.7
147.04375	1.4
149.02359	0.5
149.04433	0.3
150.03081	0.4
158.13484	0.4
159.03058	0.5
159.04427	1.4
161.04480	1.6
163.03784	0.4
164.04741	0.4
173.05888	0.4
174.06764	0.5
175.03914	0.7
175.07524	1.0
177.05486	0.7
179.07079	0.4
185.06026	1.6
187.07503	0.6
189.05373	0.4
190.06189	0.5
191.05470	1.2
191.07060	0.8
201.09241	1.6
202.06229	0.5
203.07068	3.5
203.10690	1.4
204.07787	1.0
205.08577	0.9
207.10118	0.5
215.07069	1.0
216.07883	0.4
217.08647	5.7
218.09433	3.2
219.10184	5.2
229.08659	0.4
230.09372	0.7
231.10123	0.4
233.11792	4.5
244.07350	0.4
245.11755	1.1
246.08963	0.9
261.11246	1.0
264.18607	0.3
265.08701	25.7
266.09070	2.2
279.06418	0.7
293.08798	0.4
305.11813	0.8
322.12030	1.6
323.12790	1.6
337.14481	4.2
338.14636	0.4
340.13022	0.4
355.15488	20.8
356.15836	1.9
406.66809	0.4
427.13873	0.8
483.08200	0.3
499.19495	0.6
499.29123	0.4
517.20630	0.4
559.18048	10.9
559.30872	1.5
560.17975	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	558.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93108	0.4
59.01255	100.0
60.01589	1.0
61.98709	2.6
67.89286	0.4
71.01257	1.2
71.58476	0.6
71.58855	0.5
73.43548	0.4
74.62843	0.4
75.12247	0.4
76.92776	0.4
84.07887	0.4
85.02842	0.5
94.02877	2.4
96.95917	0.5
108.02046	3.9
113.02367	0.8
129.04736	0.4
130.04156	0.9
133.06517	0.6
161.04462	0.6
183.04501	1.4
195.81665	0.4
197.11806	0.9
199.03987	0.4
200.04732	18.3
201.05157	1.5
209.11751	0.5
241.08743	1.6
336.12421	48.5
337.12796	3.9
524.95441	0.6
525.26556	0.5
549.48816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07404	1.8
57.03320	4.5
59.01250	93.4
60.01582	2.0
69.43913	7.4
69.44344	7.5
71.01256	57.0
72.99208	4.0
73.02822	32.0
75.00745	2.4
76.77496	1.8
80.91893	1.6
83.01259	5.0
85.02827	14.5
87.00753	2.3
89.02321	48.9
93.03343	1.8
95.01279	3.3
96.95885	5.4
97.02843	5.5
99.00759	100.0
101.02329	21.4
105.64007	1.8
108.02070	2.4
109.02827	3.1
113.02343	23.6
114.64252	1.8
119.03391	4.2
119.80132	1.8
121.02840	2.6
123.04467	3.0
125.02330	10.1
131.03409	14.9
135.04375	2.1
137.02383	2.5
138.06747	6.6
143.03409	4.4
149.02379	3.1
149.04471	43.4
150.03108	3.2
151.07565	4.4
152.01051	6.0
152.08354	10.8
153.09125	34.1
155.03378	5.3
161.02365	2.1
161.04483	7.3
163.11263	2.7
164.01057	2.7
164.53078	1.8
165.05475	6.8
165.09122	2.3
167.03439	11.9
179.06953	1.9
190.02655	3.9
191.05547	36.4
196.03595	2.4
203.05556	16.4
205.05078	4.4
205.12276	32.4
223.13208	8.7
233.06598	7.6
361.16574	33.5
362.16843	3.1
367.17603	8.6
385.18478	4.3
427.19681	12.1
443.62573	1.9
497.42679	2.0
517.16101	2.9
517.22717	12.7
559.23975	52.6
560.24048	7.8
567.30627	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	557.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94473	0.7
55.01756	1.4
57.03327	2.8
59.01251	100.0
60.01586	1.4
60.64293	0.7
61.98705	1.8
71.01255	9.6
71.58831	0.9
73.02822	4.8
83.01250	2.0
83.04884	7.0
85.02831	5.4
87.00752	6.4
89.02335	2.9
93.03323	1.2
95.01245	0.9
95.04922	1.7
96.95889	0.8
97.06467	1.3
99.00770	2.8
99.04389	0.7
101.02325	8.7
106.04096	0.8
107.04897	2.7
109.02818	1.2
112.83463	0.7
113.02330	5.5
119.03325	1.2
119.04943	0.7
120.05643	1.1
121.02815	1.7
123.04409	2.9
125.02312	1.0
130.04138	1.1
133.02849	20.5
135.04416	4.6
135.08051	0.8
135.11662	1.5
136.04713	0.8
137.02299	0.8
145.06445	2.7
147.08017	1.4
151.03896	1.1
157.06505	1.3
161.02347	1.1
161.04495	4.3
161.08434	0.9
161.09639	12.6
161.13284	7.2
162.13562	0.8
163.11235	1.2
168.18536	0.6
179.10638	1.9
187.11218	20.1
188.11444	1.4
189.05464	1.0
189.09132	9.8
201.05634	0.9
205.12309	6.5
207.06526	0.9
207.10168	2.3
219.06560	5.9
223.13399	1.1
231.10089	1.0
237.07639	4.9
248.92947	0.6
249.11288	3.1
265.12897	4.3
267.12256	2.0
293.04456	1.9
307.13879	1.2
323.09155	1.4
335.09207	1.4
352.09320	1.0
353.10239	22.6
354.10547	2.6
359.27997	15.4
360.28265	2.0
371.17087	1.4
377.17477	0.8
395.11502	0.6
395.18600	4.7
413.17926	2.4
427.22864	1.1
453.24976	0.8
497.22943	1.2
515.24579	2.0
539.24457	2.0
544.76929	0.7
557.16461	9.1
557.25665	69.8
558.16840	2.0
558.26019	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2967
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
54.51582	1.6
55.01755	2.5
57.03339	2.6
59.01252	100.0
61.98716	2.1
69.31474	3.7
69.31880	14.7
71.00894	3.1
71.01257	41.0
71.54654	1.6
72.99177	3.4
73.02816	22.5
83.01271	6.5
85.02825	15.1
87.00767	2.8
89.02322	10.4
95.01257	3.1
97.02833	1.7
98.20592	2.9
99.00742	13.6
101.02326	21.4
113.02316	18.0
117.04435	1.6
119.03429	2.4
125.02332	2.0
126.44435	1.9
129.01791	1.7
131.03398	2.4
139.59731	1.6
159.02953	3.1
161.04465	13.1
177.65869	1.7
191.05524	3.0
217.84499	1.6
243.09384	1.5
265.45734	1.8
383.24365	11.9
390.82587	1.7
497.27603	3.0
515.28564	40.7
516.28839	6.9
557.29602	40.4
558.30029	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	557.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.6
57.03328	2.7
59.01252	52.7
61.98678	2.2
63.49516	1.9
69.03332	8.2
71.01256	8.4
71.04884	3.7
71.58683	2.8
73.02841	1.7
74.30977	1.6
79.95574	2.0
80.99847	2.1
81.03339	3.6
83.01270	2.3
83.04908	9.9
95.01281	2.6
95.04889	2.6
96.95875	6.5
97.06458	3.2
101.02358	2.9
109.02849	2.5
119.04906	2.2
121.02791	3.0
123.00755	7.1
123.08049	2.9
125.09618	7.4
135.04405	3.6
151.11208	4.2
153.12730	3.7
160.47095	1.8
161.09612	9.0
163.11191	8.0
165.12680	4.5
179.10696	31.8
191.10701	2.3
197.11771	90.7
198.12071	4.5
200.04771	4.6
209.11771	78.1
209.13774	4.0
210.12129	4.6
216.04311	2.3
223.09688	3.5
227.12860	9.0
241.10818	11.1
293.21378	2.3
297.13531	6.9
315.14526	17.8
316.14969	2.0
336.12360	8.3
353.12503	3.8
353.23148	2.3
395.18732	5.5
507.25912	2.6
515.28497	2.9
525.27051	100.0
526.27417	16.5
557.30096	16.6
558.30469	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75664	0.9
55.99952	1.1
59.00950	2.0
59.01252	37.3
61.98686	3.6
69.36411	1.6
69.36812	9.7
71.01257	19.6
72.99168	1.2
73.02821	14.7
77.06752	1.0
79.05435	1.1
81.03349	1.6
83.01250	3.8
85.02820	5.3
87.00739	1.3
87.04373	2.3
87.46196	1.1
89.02320	8.3
93.03315	2.2
95.01219	1.4
96.95850	2.2
97.02833	4.2
99.00729	3.5
101.02326	11.0
109.02866	1.0
109.06511	1.0
110.79231	0.9
113.02320	5.8
113.35981	1.1
119.03382	1.3
121.06486	8.7
122.03608	1.7
123.04400	7.6
125.02306	2.9
131.03334	2.1
133.10106	4.6
135.04396	8.9
137.02292	5.5
147.04405	1.8
148.05191	1.4
149.04434	1.8
150.03159	2.0
151.03880	3.3
161.04495	1.5
163.03932	2.3
165.05449	1.9
165.65892	1.2
173.06023	1.9
177.09186	5.9
177.10483	1.1
177.12555	1.1
185.09593	1.8
191.05502	3.6
191.10675	1.6
196.03696	3.5
203.05438	1.5
203.10718	38.7
204.11031	3.1
205.12268	2.8
221.08121	1.4
221.11746	1.5
277.01825	1.0
291.15985	10.9
293.17538	5.4
309.17084	12.9
310.17416	1.6
351.18091	3.1
436.18802	1.1
453.21207	11.5
454.21280	1.3
471.22382	12.5
472.22635	1.4
491.24924	1.8
513.23407	100.0
514.23761	15.9
557.22083	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	557.2394
Annotation	CHEBI:70610
Peak:m/z	Relative Intensity
52.92993	0.5
56.90747	0.5
57.03319	0.6
59.01251	19.0
59.04994	0.5
60.01581	0.6
61.98711	1.0
65.03828	0.6
68.77172	0.5
68.99667	0.5
69.03300	1.2
70.01625	0.5
71.01256	8.2
71.04892	1.9
71.58577	0.9
72.61309	0.5
72.99183	0.7
73.02818	3.8
81.53313	0.5
83.01258	1.1
83.04890	0.6
83.10683	0.5
85.02849	2.7
87.00758	1.5
89.02323	5.1
93.03336	8.1
95.04919	0.5
96.95904	1.3
97.02818	0.9
99.00755	4.7
101.02332	4.1
108.02042	1.0
109.02847	3.2
113.02303	2.8
119.03397	0.6
119.04931	0.9
121.02838	8.7
121.06458	1.1
122.03533	0.6
125.02328	1.1
125.72613	0.5
131.03401	1.1
133.06444	1.4
135.04404	1.5
137.02347	12.2
142.52370	0.5
143.03374	0.6
148.05241	0.7
149.02281	0.9
149.04448	2.4
157.06538	3.4
158.03592	0.7
159.04393	3.5
161.02350	1.3
161.04478	0.9
171.04417	1.2
172.05214	0.9
173.05997	3.4
177.09164	1.0
181.06548	0.8
183.04437	2.0
185.02271	0.6
185.05827	0.7
185.09534	0.6
186.06734	0.7
191.05466	1.7
197.06038	1.3
198.06674	0.7
199.03893	0.8
199.07552	1.2
200.04755	0.6
201.05548	3.3
202.09952	1.1
203.05531	1.4
203.10660	3.2
204.97556	0.6
204.99617	0.5
209.06276	0.6
211.07585	2.2
212.08208	0.6
213.05537	1.0
214.06360	1.0
221.08118	6.7
225.05519	1.6
227.03407	0.9
227.07048	0.6
238.06314	1.4
241.05022	12.2
241.07445	0.6
242.05753	2.1
255.06612	6.7
256.07315	1.2
265.12424	0.6
267.06686	0.8
270.05322	0.8
273.15082	0.6
281.15234	0.5
295.10123	0.5
311.16516	2.2
311.19864	0.6
325.14487	0.6
327.19650	2.1
333.18597	1.9
335.12793	1.5
351.19589	5.2
353.13773	1.9
353.17566	3.0
354.17764	1.1
377.17557	8.4
378.17798	1.3
395.18622	100.0
396.18976	13.4
396.24097	0.6
497.18179	1.5
515.19086	2.7
557.21088	2.0
557.30481	2.0
558.20697	0.7
578.02527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76497	2.1
57.20512	2.2
58.42849	2.2
59.01255	49.5
59.42218	2.1
60.49449	2.0
68.25987	2.0
69.96480	6.7
69.96894	5.0
71.01263	11.4
73.02816	5.9
74.41765	2.3
81.03337	2.4
83.04935	2.2
85.02798	2.5
89.02306	4.1
90.79666	2.0
93.03341	100.0
94.03668	29.7
96.95892	2.5
97.16442	2.2
101.02329	7.0
108.02051	26.5
109.02885	6.4
113.02294	3.1
119.04921	23.4
121.02848	3.2
125.02313	3.2
133.02769	2.6
134.03589	2.4
135.04395	4.7
135.18437	2.0
141.09108	5.5
151.11116	2.6
161.04601	3.2
163.11130	2.2
169.12263	13.1
189.09131	7.7
197.11761	15.7
201.05516	60.4
201.07291	4.8
202.05843	37.0
209.11752	20.7
219.08147	6.5
220.08441	3.2
221.09772	12.3
240.49075	2.3
257.08185	9.0
309.15112	5.7
351.19431	2.5
352.11871	4.9
353.12842	9.9
395.18732	11.3
486.74704	3.3
515.27203	2.6
525.27185	15.1
548.91162	2.4
557.29596	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	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	62.3
70.35609	2.5
71.01258	68.0
72.99190	3.1
73.02822	11.8
80.01821	2.8
80.74098	2.3
81.03301	3.9
85.02821	35.4
87.00765	4.0
89.02319	100.0
93.03337	2.6
94.05270	2.5
94.39688	2.7
95.01254	17.6
97.02826	8.4
99.00768	21.0
99.64280	2.7
101.02345	12.1
105.06990	2.4
108.05694	3.5
109.02790	3.4
109.06468	2.5
110.05984	2.9
111.04412	4.0
113.02335	80.5
113.05935	3.8
119.03343	3.5
121.05219	2.8
122.03582	6.3
122.06013	2.6
123.04388	3.1
123.08027	7.6
125.02326	4.5
125.05984	9.8
131.03419	16.3
136.05168	6.9
137.05907	3.1
138.06747	8.3
139.07549	17.4
143.03397	4.7
146.06007	10.7
146.30490	2.4
149.04465	84.7
151.03981	3.1
151.07544	34.2
152.04649	3.7
152.07198	2.5
152.08356	16.5
153.09096	5.4
157.00658	2.4
161.04475	32.0
161.09627	4.6
163.07524	5.3
167.07016	4.4
184.71790	2.6
191.05490	7.3
191.07027	5.1
196.03638	3.2
201.12752	21.7
203.07069	3.6
203.10651	8.8
204.11470	27.9
219.13850	45.1
221.08118	10.4
233.06590	11.4
241.09702	4.6
245.11748	5.5
263.12872	99.2
264.13217	9.2
268.12119	3.1
269.12891	4.4
287.12860	6.0
293.08752	2.8
300.10977	5.2
305.13898	9.3
353.99557	2.6
392.19934	6.8
436.18411	13.3
437.17194	3.2
454.19672	7.6
496.20731	14.1
514.21948	41.2
557.18719	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	557.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46767	0.1
57.63127	0.1
59.01252	2.5
65.03828	0.6
69.27405	0.5
69.27828	0.8
71.01259	1.3
73.02818	1.2
73.82671	0.1
85.02820	0.3
89.02325	1.2
93.03336	58.0
94.03664	1.6
99.00764	3.5
101.02319	0.4
113.02328	0.4
118.27691	0.1
125.02312	0.2
131.03380	0.3
137.02345	100.0
138.02676	3.4
149.04427	0.8
154.22684	0.1
155.03391	0.3
159.08121	0.2
160.15959	0.1
175.07587	0.2
191.05521	1.2
203.05548	0.4
291.14359	0.1
360.24820	0.1
395.18539	0.4
557.18896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67253	0.2
55.01778	0.3
57.03333	0.3
59.01251	8.0
61.98697	0.5
65.03822	0.7
65.82246	0.2
69.38923	1.9
71.01254	2.8
72.99184	0.7
73.02824	1.1
75.00732	0.2
83.01254	0.4
83.04909	0.2
83.82517	0.2
85.02835	1.4
87.00747	0.6
89.02315	2.3
93.03336	49.0
94.03667	1.7
95.01244	0.2
95.04909	0.3
96.95889	0.2
97.02853	0.3
97.06476	0.2
99.00763	2.4
101.02347	1.5
102.49263	0.2
108.02038	0.4
109.02854	0.4
111.37965	0.2
113.02321	2.5
119.03379	0.5
121.02856	1.1
123.04387	0.3
125.02360	0.5
131.03375	0.6
134.03606	0.5
135.04402	0.6
137.02342	100.0
138.02689	3.5
143.03325	0.2
149.02437	0.2
149.04465	0.8
151.03857	0.3
157.06534	0.3
161.04509	0.5
161.13441	0.2
179.05611	0.4
179.07086	0.6
191.05556	0.8
199.07637	0.3
201.05553	0.7
202.05992	0.3
203.10753	0.3
205.08589	0.2
221.08151	2.4
241.04959	0.4
255.06709	0.8
309.08356	0.4
335.09042	0.3
335.22247	0.6
347.37030	0.2
357.17224	1.0
374.53711	0.2
395.18619	5.8
396.19052	0.8
497.16821	0.5
515.17737	1.9
557.23688	0.6
557.30170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65915	1.8
59.01247	4.7
69.27821	22.9
71.01260	5.5
78.95838	2.0
79.60620	1.9
89.02320	3.2
101.02351	2.4
161.04381	2.2
234.71317	2.1
253.09258	16.1
277.21729	100.0
278.22055	10.7
284.33051	1.9
314.96948	2.4
461.17822	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	557.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03309	0.5
58.00484	0.5
59.01252	35.8
61.98715	0.8
64.52066	0.5
69.03344	0.6
71.01258	11.4
71.59074	0.5
72.68877	0.4
72.99180	0.9
73.02824	11.3
73.46902	0.4
76.19663	0.5
83.01248	3.2
85.02827	2.5
87.00757	1.4
89.02322	3.8
89.03854	1.8
93.03356	0.8
95.01300	1.0
95.04884	2.3
96.95886	1.5
99.00755	5.3
101.02319	8.6
105.03346	21.8
106.03671	0.9
107.04888	0.6
109.02865	0.5
113.02331	4.4
116.92751	0.5
119.03382	0.7
119.04926	1.2
121.02853	2.1
123.00764	1.2
123.04420	6.9
124.01574	1.0
125.03239	0.4
129.06967	0.6
131.03352	0.6
132.02060	0.7
132.04440	0.7
133.02853	59.2
134.03217	2.0
135.04424	1.9
136.01570	1.8
143.03374	0.9
147.04405	1.0
148.01570	0.8
149.02368	9.1
149.04462	1.8
149.05983	1.6
157.06508	10.2
161.02390	0.8
161.04408	2.1
167.03424	17.4
168.03714	0.7
175.07585	1.0
177.01874	1.1
191.05565	2.7
201.05533	5.2
203.05536	1.2
203.14346	1.8
217.04941	0.5
219.06581	12.8
220.06958	0.5
237.07628	8.6
237.09938	0.7
239.07166	1.5
253.05156	0.8
254.05724	0.6
267.06607	0.6
279.06580	3.3
281.04474	2.4
282.05368	6.7
283.06116	20.7
284.06488	1.2
297.07803	0.8
314.04303	1.0
325.07120	2.4
327.25360	0.8
335.09253	36.0
336.09616	3.5
349.10941	0.7
352.11630	1.4
353.10281	100.0
354.10638	9.5
354.14682	0.7
357.26456	13.5
357.30814	0.7
358.26730	2.5
359.27136	1.4
395.11307	6.6
395.18622	1.3
396.11725	0.6
420.81152	0.5
497.18002	0.8
497.27774	0.7
515.25177	1.4
557.16455	2.9
557.30548	3.3
558.17487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37901	0.5
59.01250	12.0
61.98700	0.8
69.03329	2.0
69.88985	3.0
71.01257	1.9
72.66416	0.5
72.93737	0.5
73.02827	1.1
83.01263	0.7
85.02837	2.3
87.00755	0.6
89.02320	0.8
92.44833	0.5
93.03339	2.0
94.02859	10.7
94.03428	0.7
95.01266	19.7
97.02835	1.0
101.02287	1.0
108.02059	12.0
109.02829	1.5
113.02318	2.7
115.05398	0.7
117.03355	1.2
119.04921	0.6
121.02847	1.9
122.03629	0.7
123.00772	100.0
124.01630	9.9
125.02280	2.6
133.02831	0.7
137.02356	3.9
139.60982	0.5
143.04926	9.8
145.02858	1.2
146.03601	0.7
147.04410	0.7
149.02368	1.6
150.03096	0.8
159.04420	4.9
169.02907	0.9
171.04433	32.3
172.04865	2.0
173.02348	2.6
179.03409	1.0
185.02319	0.9
186.03085	1.1
187.03940	10.2
188.04410	0.9
191.05437	0.6
194.02170	0.6
198.03140	1.3
199.03883	1.6
204.07890	0.9
205.08585	2.4
206.09048	1.3
214.02657	2.1
215.03448	33.3
216.04216	21.8
217.04623	1.5
219.10188	1.3
220.10468	0.8
220.14644	0.8
237.11075	0.6
244.09827	0.7
256.07404	2.7
257.08093	2.4
302.11844	0.7
311.07678	1.4
312.08514	1.4
350.10239	0.6
351.11127	89.9
352.11862	99.0
353.12213	9.3
364.12033	0.7
376.12119	0.8
394.12967	10.6
395.13345	1.3
406.12967	2.0
408.25415	0.7
496.16235	0.9
556.19165	2.5
557.25916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13610	0.7
51.30856	0.7
58.29388	0.7
59.01256	8.0
61.59161	0.7
61.98697	0.9
64.69079	0.6
67.77720	0.6
69.03313	1.4
71.01254	2.0
73.02802	0.9
83.04906	0.7
89.02308	0.8
89.79649	0.6
94.02857	2.4
95.01270	15.7
96.95880	1.5
101.02344	0.8
108.02048	1.2
109.02750	0.6
109.42820	0.6
112.46317	0.6
113.02323	1.1
121.02847	1.9
123.00772	96.4
124.01530	3.9
125.09582	1.0
148.08322	0.8
149.06020	0.6
161.09590	1.2
179.10701	1.9
197.11749	9.6
208.38426	0.7
209.11751	6.3
216.04236	15.7
217.04478	0.9
227.12862	0.9
241.10722	1.9
257.08194	5.0
262.41995	0.7
289.88083	0.7
293.97137	0.6
313.07065	0.7
315.14383	2.0
352.11896	100.0
353.12204	10.8
376.35825	0.7
376.97775	0.7
394.16702	1.0
514.27557	0.9
525.27136	9.2
541.52777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2844
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
54.65243	0.4
59.01254	0.7
60.07212	0.5
63.96115	0.9
67.57745	0.5
69.03322	0.6
71.01257	6.6
73.02819	2.0
78.44709	0.4
78.98466	6.4
79.95603	11.0
80.96391	72.2
83.01219	0.5
85.02814	2.9
87.00751	1.9
94.97961	16.5
96.95894	1.1
97.02837	1.5
99.00756	0.7
101.02334	2.2
103.01402	0.4
106.97975	4.2
122.97459	3.2
125.02345	2.7
127.03888	1.1
134.97462	4.7
136.99037	1.3
148.99051	6.8
152.98541	5.5
164.98549	12.8
167.00169	0.5
185.89284	0.5
185.91287	0.5
206.99626	2.5
225.00699	15.3
226.00888	0.6
255.23254	2.5
299.04410	3.2
418.56891	0.6
555.28430	100.0
556.28656	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	556.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97902	2.5
57.97440	2.0
59.01254	6.9
70.99481	8.5
71.01255	4.6
71.58150	1.9
81.03335	2.0
85.02867	2.1
86.98994	2.3
87.04380	1.5
89.02305	2.5
93.03358	1.5
95.04891	1.2
96.95902	1.7
98.02347	2.6
99.00768	1.6
101.02336	2.9
108.02069	1.3
109.02837	1.9
110.00593	2.2
111.04404	1.1
112.02139	2.0
113.02356	1.6
114.98485	43.5
115.98834	1.7
116.25887	1.2
120.04403	1.8
122.02352	2.1
122.06002	4.0
123.03087	1.5
123.04425	17.7
124.01548	4.2
124.03918	1.8
125.02351	2.8
132.04439	1.3
133.02841	1.7
135.04395	3.7
136.01450	1.7
137.02353	51.7
138.00082	2.8
138.02724	2.1
138.05501	7.6
149.02437	1.7
150.03137	4.1
151.03920	49.2
152.04706	46.9
153.05180	1.6
156.01137	5.4
167.07048	3.6
170.02762	1.9
171.80516	1.3
177.01820	1.9
178.02632	8.0
179.03413	3.1
180.01160	1.4
191.05472	2.8
193.05002	11.0
195.02921	4.9
196.03709	90.4
197.04027	7.2
198.02226	3.8
200.00111	7.0
210.02162	1.3
211.06067	26.6
212.06395	2.1
214.01683	1.9
224.00148	1.4
227.07047	1.6
232.91170	1.2
242.01285	8.0
254.01274	1.4
256.02835	4.6
266.01340	2.3
269.12955	4.8
284.02338	10.0
344.04391	9.3
354.61032	1.2
355.09982	2.3
358.08841	2.2
373.11456	5.7
408.19330	1.8
426.88171	1.3
434.17111	2.0
452.18146	7.3
512.12128	3.4
512.20013	2.1
521.16687	1.7
538.10126	7.4
541.09058	6.0
555.33948	1.4
556.11273	100.0
557.11108	12.5
557.17938	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	555.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36451	1.9
58.00467	3.4
59.01250	94.3
61.98701	11.6
69.03335	2.0
69.95007	9.5
71.01256	54.9
73.02819	37.4
83.01278	6.0
85.02822	8.4
87.47984	2.0
89.02318	55.5
94.57912	1.9
97.02802	2.6
98.19862	2.1
99.00760	100.0
99.69437	1.7
100.01080	2.8
101.02306	15.9
113.02334	16.8
119.03390	3.2
125.02339	9.2
131.03415	19.3
136.76137	1.8
143.03368	5.4
146.46460	1.7
149.04465	42.5
155.03415	6.4
161.04506	9.2
189.58540	2.2
191.05548	33.0
203.05536	16.1
224.34116	1.8
226.29404	1.9
381.22760	3.2
513.27051	13.9
555.27826	19.6
556.28278	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
66.27620	0.4
70.64423	1.6
78.95781	5.5
80.96382	1.9
97.60110	0.5
102.05579	0.4
120.95727	0.4
125.09644	1.2
146.67996	0.4
152.99478	1.1
168.04269	1.9
187.09729	0.6
224.07013	1.0
242.07971	2.8
243.37439	0.4
277.21704	1.6
279.23291	100.0
280.23688	9.1
504.30991	29.0
505.31168	3.4
532.75562	0.4
554.26984	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.5
61.98705	100.0
71.58536	3.1
79.95599	2.5
80.96401	12.8
88.55485	1.7
91.74897	2.3
94.97943	2.7
166.68982	1.8
178.45377	1.8
199.61679	1.8
222.80597	1.9
252.48389	1.9
255.23241	6.6
256.23590	9.2
257.23917	5.9
428.87619	2.3
434.20764	2.0
469.17764	2.1
473.27908	2.3
495.16806	2.3
555.28406	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	555.138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
59.01253	4.7
59.91559	0.3
61.39227	0.3
61.98702	1.5
69.48164	1.6
69.48595	1.7
71.01251	1.7
73.02789	0.6
75.00761	0.4
78.95778	15.7
79.53879	0.4
79.95595	3.0
80.28282	0.4
84.92828	0.3
85.02830	1.4
86.59047	0.4
87.00751	0.5
89.02306	0.9
96.95893	100.0
96.96821	25.1
97.02866	0.5
98.02361	4.3
99.00768	0.7
100.23827	0.4
101.02318	1.0
109.02835	0.5
111.00789	0.4
116.84299	0.4
121.02852	0.4
125.02351	1.5
135.04398	0.4
137.02379	0.9
148.05200	0.9
151.03951	1.1
157.08461	0.3
163.03922	0.4
163.07526	0.6
168.00531	0.8
191.05560	1.1
323.19943	0.4
331.13431	0.4
405.48416	0.4
457.17316	1.4
465.72025	0.5
555.17279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53879	0.5
55.01746	0.9
57.03307	1.9
58.00460	0.9
59.01250	20.5
60.01544	0.5
61.98697	0.5
69.45847	1.3
69.46262	3.5
71.01255	13.0
72.99168	1.7
73.02824	7.8
73.15414	0.5
75.00743	0.5
83.01265	2.4
85.02834	6.4
87.00739	1.6
87.04390	1.2
88.98666	0.7
89.02325	6.0
93.03352	1.5
95.01254	1.1
96.95876	1.3
97.06485	0.5
99.00743	1.9
99.50584	0.5
101.02322	9.0
108.02073	0.6
109.02824	1.2
109.06507	0.8
111.00724	0.6
113.02325	4.9
119.03379	2.2
121.02823	0.8
123.04426	0.7
123.08054	0.9
125.02367	1.2
129.01826	0.7
131.23108	0.5
134.03610	0.7
135.04404	1.0
137.02348	1.3
149.04451	0.9
150.03055	0.5
151.03934	1.0
152.07124	0.5
155.10733	0.7
159.02971	0.5
161.04498	1.1
165.05479	1.6
165.72882	0.5
167.03433	0.7
169.12212	0.7
177.05412	0.5
179.05568	0.7
187.13408	0.6
191.05533	1.3
193.04897	0.5
207.10181	0.6
222.52629	0.5
279.16885	0.5
341.10736	0.9
345.26462	1.6
373.25931	4.4
391.13589	0.7
391.26895	5.6
392.27368	0.9
397.16586	0.5
461.20050	0.5
479.28708	0.9
511.27411	0.7
535.31104	1.3
553.32281	100.0
554.32568	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	552.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19145	0.6
54.55144	0.8
59.01252	10.3
60.01561	0.7
71.33790	0.7
71.34264	0.7
71.59049	1.5
78.95773	7.4
80.96403	1.5
92.50992	0.8
100.70647	0.7
168.04094	1.0
180.32211	0.8
184.45117	0.9
198.47408	0.8
232.64658	0.8
242.07925	2.6
277.21729	100.0
278.22046	10.2
312.46939	1.0
363.69080	0.8
502.29391	27.5
503.29727	4.5
553.29230	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27272	1.3
57.03310	3.4
58.00468	2.5
59.01254	37.4
69.44444	3.6
69.44866	6.9
71.01259	40.0
72.99169	2.5
73.02825	12.0
81.03349	2.0
83.01304	1.9
85.02376	1.8
85.02821	9.8
87.00771	2.9
89.02322	37.6
94.15075	1.3
95.01270	2.9
96.95879	2.0
97.02805	1.6
97.17011	1.1
98.20524	2.3
99.00761	36.2
99.04391	3.5
101.02322	22.8
113.02334	20.3
114.02669	1.1
119.03409	9.6
123.08077	3.3
124.24017	1.2
125.02362	2.2
131.03386	5.7
139.07529	3.7
141.09154	3.9
143.03430	2.6
149.04469	17.1
150.03111	2.4
151.07561	3.6
153.09142	3.1
159.02972	1.5
160.47879	1.2
161.04488	5.3
165.05519	2.3
165.09155	2.2
166.02643	1.4
179.05701	1.4
191.05605	8.8
193.12346	2.1
195.06686	2.4
205.12303	5.0
221.06624	2.2
223.13425	2.0
233.06720	1.5
241.14471	2.0
251.07622	1.7
259.15540	9.4
293.08997	1.3
311.09937	3.1
404.15900	1.2
421.20801	16.6
535.23346	1.6
553.25238	100.0
554.25446	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	551.3077
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
50.56717	0.9
55.01752	1.0
55.79209	0.9
57.03310	2.4
58.00467	1.1
59.01250	35.1
61.98695	1.0
63.31882	0.8
69.03307	0.9
69.73941	5.3
71.01257	16.4
72.99158	1.2
73.02827	9.5
75.00737	1.3
80.41199	0.9
82.98320	1.1
83.01254	2.8
85.02828	7.8
87.00734	2.2
89.02317	10.6
95.01277	1.8
96.95882	12.5
97.06503	0.8
98.20577	1.0
98.95464	7.9
98.96332	2.1
99.00763	2.9
101.02328	14.1
109.02831	2.2
111.00781	1.0
113.02337	6.3
119.03378	2.9
121.02860	1.6
123.08022	1.4
125.02325	1.7
129.01842	1.3
134.03677	1.2
135.04417	2.6
137.02330	2.9
150.03123	2.4
151.03888	2.6
161.02324	1.3
161.04443	1.5
164.54898	0.9
165.05446	1.4
169.30788	0.8
171.10188	1.0
185.11684	1.4
193.04968	3.2
194.05621	1.1
209.08162	3.4
213.05122	1.2
215.12889	1.0
215.16499	0.9
293.21146	1.3
299.12753	0.9
301.20197	1.2
320.02792	0.9
329.23260	1.7
359.24524	0.9
371.14838	1.1
371.24417	4.2
389.25452	16.6
390.25873	2.3
465.23309	1.5
473.27463	0.9
491.19507	0.9
491.27869	1.2
507.24741	2.1
509.20181	1.6
533.29071	1.2
551.30719	100.0
552.31122	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36340	0.3
55.01765	1.1
57.03330	0.7
59.01255	47.3
59.35148	0.3
60.01600	0.5
61.98694	0.3
68.63600	0.4
70.88390	0.9
71.01259	8.7
72.56907	0.3
72.99209	0.5
73.02821	5.2
75.00750	0.4
78.29443	0.3
78.96152	0.3
83.01254	2.1
85.02827	4.5
87.04395	100.0
88.02776	0.3
88.04723	1.6
89.02318	3.4
89.54062	0.3
95.01281	1.2
97.02853	0.9
99.00760	4.2
101.02325	4.5
111.00773	0.6
113.02332	4.3
125.02360	1.2
131.03401	0.9
143.03403	0.5
145.12256	1.4
159.02841	0.6
161.04431	1.5
161.50502	0.4
166.15250	0.3
171.13889	0.7
180.67917	0.4
263.63394	0.4
289.16562	1.7
311.18628	0.7
319.90952	0.3
359.20615	0.5
360.06882	0.4
361.10797	0.4
372.32047	0.4
377.21829	4.6
378.22220	0.5
419.22833	1.3
421.20847	1.0
463.22174	0.5
481.22784	0.6
491.25003	0.8
509.25992	24.5
510.26483	2.9
551.27106	29.7
552.27460	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	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18557	1.4
53.30351	1.2
55.01749	2.9
57.03312	2.9
58.00459	2.0
58.77598	1.3
59.01252	24.5
69.03290	1.4
71.01253	31.0
71.49693	2.7
72.99188	12.3
73.02824	13.2
75.00729	4.3
83.01260	2.1
85.02822	15.6
87.00764	9.5
89.02323	13.9
95.01267	3.6
96.95881	1.6
97.02808	2.0
98.03610	5.5
99.00760	23.7
101.02325	14.5
105.01819	9.0
109.02800	2.5
113.02334	13.7
119.03402	1.5
122.03597	2.3
123.04432	1.7
125.02293	1.8
125.06061	1.4
127.03908	3.0
131.03377	3.0
134.03667	9.9
137.02271	2.3
137.09610	3.8
149.02373	2.5
149.04469	3.2
149.05951	3.3
150.03111	11.6
151.03883	2.7
155.10712	6.3
160.01529	2.0
161.04431	7.3
165.05476	13.5
165.09129	10.8
175.03946	3.3
178.02608	5.5
178.04031	1.2
180.07863	9.9
181.08588	9.7
191.05528	5.6
193.04980	20.6
194.05348	2.2
195.06563	7.3
198.08911	5.6
199.09660	8.0
207.10112	2.3
233.06454	1.4
235.06097	2.2
235.09723	5.8
243.15848	1.3
285.37888	1.3
303.08679	1.8
320.90945	1.5
341.10156	4.0
359.11084	2.2
361.15021	3.0
389.11823	2.0
389.16577	7.0
421.17230	2.3
459.18768	7.6
475.18362	3.2
493.19263	100.0
494.19638	8.8
551.23621	35.4
552.23859	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	551.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04836	4.3
56.15236	4.2
59.01252	100.0
70.24661	4.9
71.00953	5.2
71.01257	58.6
71.58612	7.9
72.99176	8.8
73.02805	13.9
78.95768	5.6
83.01234	8.7
85.02844	30.8
87.00720	10.7
89.02312	54.3
96.95897	11.9
99.00768	14.3
101.02324	36.2
106.64990	5.0
109.02872	6.1
113.02322	20.5
119.03384	17.8
119.04924	10.1
120.50610	4.4
121.02841	13.8
123.04358	6.5
125.02303	18.7
133.02769	5.3
134.03609	20.8
135.04414	11.4
137.02332	16.0
149.02357	9.2
149.06061	5.0
150.03113	10.2
151.03903	14.2
160.01563	5.5
160.03839	5.2
161.02319	6.4
161.04468	9.9
163.03906	8.7
165.01822	5.2
165.05490	13.6
175.03897	24.9
177.01744	6.4
177.05452	6.1
178.02541	11.0
179.05547	11.2
180.04237	9.3
190.06285	8.0
191.05429	6.4
191.07043	11.0
192.04193	9.2
193.04982	36.7
194.05757	6.6
198.92038	5.6
205.08624	13.5
227.07135	32.1
257.08212	14.1
337.09317	16.7
345.13306	7.7
359.11279	6.8
359.15091	59.4
360.15228	9.6
389.15976	19.4
389.21545	13.9
389.25363	17.4
415.71533	5.3
522.03229	6.0
551.20111	20.6
551.28192	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	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81127	0.4
54.89234	0.4
55.01761	0.5
57.03324	0.6
57.69745	0.4
59.01252	9.8
61.98713	0.9
67.01758	3.9
68.99714	1.0
69.03331	4.9
71.01254	11.2
71.14816	1.0
71.15170	0.5
71.67854	0.4
72.99184	0.6
73.02821	3.6
78.95772	0.7
81.03329	10.9
83.01270	1.8
85.02814	3.5
87.00760	0.8
88.98696	0.6
89.02320	7.1
91.01760	0.8
93.03344	1.3
95.01277	3.8
96.95902	0.8
97.02831	3.0
99.00753	12.6
101.02328	7.8
107.01263	4.9
108.02062	5.5
108.02728	0.7
109.02892	0.5
113.02316	4.4
119.04941	1.1
121.02831	1.1
123.00762	6.7
123.04433	0.5
124.01583	3.3
125.02354	4.5
131.03424	1.3
135.00764	0.8
135.04417	1.8
136.01563	2.9
137.02344	1.3
143.03419	1.9
149.02350	1.0
151.00276	19.7
152.00999	1.5
161.04468	1.9
166.02600	0.8
172.05212	1.0
173.04544	0.7
173.06007	1.5
179.03429	1.0
185.09604	1.0
189.09192	0.6
191.05518	4.6
205.05014	0.6
205.08592	0.5
215.07193	0.6
242.05812	61.9
243.06493	11.9
244.07059	0.5
257.08173	100.0
258.08517	7.0
293.08810	1.5
295.88666	0.5
325.10062	0.7
347.12656	1.0
387.10699	1.2
419.13278	0.7
443.11713	0.8
491.16772	0.5
509.17844	0.6
533.35205	0.6
551.17651	20.2
551.30634	0.7
552.18152	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2138
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01758	1.2
57.03318	1.9
58.00467	1.4
59.01253	43.9
69.90028	2.4
69.90444	2.8
71.01257	30.4
72.99195	3.5
73.02813	6.1
78.32885	1.0
83.01254	4.7
85.02827	11.8
87.00740	2.4
89.02316	21.6
95.01283	2.3
96.95871	0.9
99.00746	2.2
101.02322	18.9
108.02060	4.1
109.02821	2.7
111.00748	2.0
113.02339	9.1
115.51909	0.8
119.03419	7.5
121.02785	1.0
123.04426	3.0
124.01552	3.0
125.02362	5.2
129.01779	1.1
135.04462	1.0
136.01561	1.4
137.02361	3.4
138.03111	1.2
139.03874	2.4
143.03419	1.7
150.03082	1.9
151.03908	3.0
153.05478	1.5
159.04445	1.2
160.05194	1.3
161.04482	2.5
162.03145	1.5
164.04639	1.0
165.05562	1.1
173.05971	1.6
175.04001	1.3
175.07608	1.2
177.05489	1.3
187.03885	1.3
189.05463	1.3
191.05580	1.3
191.07158	1.2
193.05043	1.5
197.04523	1.7
198.12820	1.8
202.06357	1.2
203.07104	1.8
233.08157	2.3
240.07770	1.2
242.11815	2.9
242.50470	0.9
253.05299	1.1
256.03772	1.9
267.11523	1.1
271.06076	1.2
279.06662	2.4
283.06079	1.4
296.06833	1.8
297.07751	1.8
298.08444	1.7
309.07886	1.1
311.09290	1.6
313.07108	2.1
316.09467	1.1
325.10797	2.8
326.07910	2.7
327.08563	1.0
328.09399	2.8
329.10300	5.6
341.10336	9.6
342.10846	1.2
343.11777	6.3
347.14969	5.3
356.12695	4.6
359.11288	11.4
359.15186	3.0
360.11856	1.8
371.15240	4.4
373.12415	1.0
374.13690	15.0
375.14343	2.4
389.16086	47.7
389.25220	2.8
390.16467	4.9
536.19049	1.7
551.21387	100.0
551.30225	7.2
552.21680	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	551.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.3
61.98693	3.0
65.19157	1.9
67.18591	1.4
68.90671	1.4
69.41989	14.3
69.91419	1.6
71.01263	8.0
73.02821	2.0
77.13419	1.6
80.68324	1.5
80.98599	1.5
85.02824	5.5
87.00778	1.7
89.02309	7.1
93.03349	3.1
96.95898	9.4
99.00770	2.6
101.02309	8.2
109.02832	2.5
113.02310	8.2
119.03380	2.7
119.04962	2.7
121.02850	24.4
122.03649	10.0
123.04404	1.8
132.02061	2.3
132.94797	1.7
133.02797	3.8
134.03630	55.2
135.04543	3.5
136.01631	1.8
137.02336	10.0
139.03917	3.8
147.04391	3.2
149.02361	22.9
149.04909	2.0
149.05974	12.7
150.03133	67.2
151.03772	2.9
160.01564	13.9
164.04712	5.1
165.01837	5.1
165.05490	67.3
166.05887	3.6
175.03947	17.9
176.04665	2.7
177.01862	3.2
178.02626	25.4
180.04193	3.9
191.05571	4.5
191.07130	4.0
193.04996	100.0
194.05339	7.1
195.06549	44.7
196.06912	1.6
233.06133	1.8
235.06058	8.9
239.06981	2.8
250.06346	2.9
267.06415	2.8
282.08908	10.1
297.11121	2.1
303.08786	5.3
317.58322	1.7
323.76749	2.0
341.10266	38.7
342.10599	4.4
355.10593	1.9
383.11209	4.3
389.12329	21.3
436.38687	1.8
551.27362	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	551.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
55.02743	0.5
57.03332	0.7
59.01254	18.5
60.01588	0.7
61.70278	0.6
61.98697	1.2
69.42064	1.6
69.42477	3.3
71.01260	11.2
72.99175	1.3
73.02824	3.7
83.01266	1.0
85.02821	3.0
87.00748	0.7
89.02322	8.6
92.26565	0.4
93.03339	2.7
96.71295	0.6
96.95916	1.2
98.20611	1.1
99.00756	5.9
100.01101	0.8
101.02353	3.4
107.04939	1.5
109.02844	5.6
111.00792	1.0
113.02348	3.4
119.03391	0.8
119.04927	0.9
121.02849	74.1
122.03191	2.1
123.04407	0.7
125.02310	0.9
131.03397	0.7
134.03619	1.9
135.04419	100.0
136.04723	4.4
137.02357	1.6
143.03430	0.6
147.04417	1.7
149.04448	1.9
150.03094	0.6
151.03917	3.0
153.01898	0.7
161.04431	1.4
163.03915	0.9
191.05565	3.7
192.05920	1.1
193.04974	0.8
196.03741	1.1
211.06065	1.2
213.09192	3.6
214.09317	0.7
215.12868	0.6
255.06677	0.8
257.08182	31.0
258.08524	2.0
261.65958	0.6
301.20477	0.5
327.25388	0.6
329.23425	2.9
371.24258	0.8
389.25174	2.8
401.12527	0.9
419.13422	10.8
420.14026	1.1
431.26587	0.8
507.27914	1.0
533.29352	0.7
550.29791	2.1
551.17676	41.5
551.30585	17.9
552.18109	5.8
552.31128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88474	4.2
59.01255	39.7
64.81301	4.6
69.36150	48.0
71.01252	19.7
71.79104	4.5
73.02831	6.6
78.77238	4.9
83.01234	8.4
85.02824	11.3
89.02296	10.9
95.01273	6.7
95.04917	5.5
96.95864	12.0
97.02843	23.0
99.00752	5.5
101.02306	13.2
105.44254	4.9
105.49425	5.6
107.71922	4.5
109.02804	6.2
113.02321	8.3
115.59677	5.2
118.57872	5.7
119.04902	5.8
121.02842	18.2
122.03660	10.2
123.04427	8.2
124.01574	5.8
133.02837	8.4
134.03613	49.4
135.04417	8.9
136.01538	4.9
137.02335	41.8
139.03918	5.5
147.04488	6.5
149.02325	19.4
149.05959	11.7
150.03137	43.7
151.03954	12.3
160.01564	11.4
161.02225	4.9
163.03917	6.1
165.01811	6.4
165.05498	42.3
172.50729	5.1
175.03922	16.7
178.02617	26.7
179.03351	5.1
193.04990	100.0
195.06560	38.6
197.11803	9.0
217.08893	5.8
220.07376	7.1
235.05971	14.1
241.10799	5.7
244.07413	10.7
303.08710	88.6
304.09210	7.7
327.08881	7.1
341.10199	11.5
389.12201	35.7
413.46503	5.6
551.27838	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	550.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.6
58.02850	8.4
58.99482	1.6
59.01246	13.6
65.17696	1.1
66.03374	0.9
69.49714	8.0
70.02854	1.3
71.01251	9.7
71.04897	1.1
72.00764	1.0
72.99174	1.7
73.02811	3.0
74.02348	20.5
81.04442	1.9
82.02851	3.5
83.04951	1.0
85.02821	5.1
85.03955	1.5
86.02345	7.7
86.05981	2.1
87.00797	1.8
87.05480	4.8
89.02312	5.1
90.00097	2.4
93.03300	1.9
95.01269	1.3
96.95882	2.5
97.03941	2.5
98.19836	2.1
99.04931	1.6
99.05523	17.2
101.02328	3.5
101.07086	2.2
102.05500	2.3
109.02849	2.1
109.03969	4.1
111.05542	1.6
112.03897	1.6
113.02316	3.7
116.01699	1.3
119.03329	1.3
121.02835	3.2
123.04442	1.9
123.05496	2.0
124.07553	1.3
125.02370	1.3
125.03446	3.6
127.05043	4.0
128.03444	54.3
135.04393	4.4
135.05550	4.3
137.02324	2.1
141.06590	3.9
143.04533	67.1
144.04913	1.5
145.06085	3.6
146.04529	6.9
149.02374	1.3
151.03937	2.9
153.06583	4.4
160.00658	14.5
161.02312	1.1
163.03944	2.3
165.05414	1.3
166.09773	3.7
167.04544	3.0
167.08185	2.4
170.36922	1.1
171.07677	1.3
175.03917	1.6
177.03288	6.5
179.04530	12.5
181.06148	2.5
185.05586	3.5
191.05527	2.0
192.07564	1.2
197.05629	2.2
205.08533	1.0
207.10310	1.1
209.88054	0.9
210.08797	14.8
223.06033	1.2
228.09747	1.3
254.07825	19.5
272.08890	27.1
279.02219	1.0
288.06534	7.0
306.07669	100.0
307.08044	4.7
332.09134	3.5
359.14865	4.0
365.34012	1.1
388.15082	1.2
389.16223	1.2
389.25433	1.8
549.29199	1.8
550.20898	5.2
550.29437	5.5
551.21649	2.5
551.30603	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	549.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.3
57.03319	2.5
58.00454	2.6
59.01253	54.7
60.94424	1.0
61.98703	1.1
64.70714	1.0
71.01255	33.6
71.04879	1.1
72.99187	5.2
73.02818	18.0
75.00761	1.3
78.82586	1.1
79.95609	2.8
81.29130	1.1
83.01234	3.1
85.02823	11.7
87.00751	3.0
87.02672	1.0
87.04395	1.2
89.02317	35.8
91.00251	2.6
95.01249	4.0
96.95892	100.0
97.06490	1.3
98.19787	2.8
99.00758	49.9
99.54169	1.0
101.02326	14.9
106.40012	1.0
108.02034	1.3
109.02847	6.0
111.00765	1.2
113.02334	26.1
114.61975	1.0
119.03363	5.5
119.04896	1.9
121.02806	2.5
123.04384	2.0
125.02359	1.9
129.01849	1.6
131.03432	6.7
135.04408	2.1
137.02290	3.2
143.03407	1.8
149.02464	1.2
149.03308	1.6
149.04460	30.2
149.05644	2.5
150.55766	1.1
151.03874	1.7
161.02347	1.1
161.04478	11.7
162.04628	1.0
162.80144	1.0
163.03860	1.8
163.07545	1.9
171.10130	2.5
179.05505	1.9
185.11749	1.4
189.01802	1.5
191.05548	25.3
192.05766	1.4
194.28406	1.2
201.11188	3.6
213.11133	1.2
215.12816	1.9
233.06577	7.7
255.06497	1.5
293.08618	1.9
297.11160	1.2
327.21909	7.0
341.06381	1.4
343.24771	3.5
369.13672	1.0
369.22745	3.0
377.52991	1.2
387.14371	2.5
387.23834	9.8
417.25397	5.0
457.16830	1.4
505.25919	3.5
507.28580	1.4
549.29016	61.3
550.29321	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	549.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76500	0.2
57.03325	0.2
59.01251	2.1
65.75061	0.2
69.41895	1.5
69.58694	0.2
71.01260	0.9
73.02819	0.5
78.95773	2.5
79.95603	2.2
83.01281	0.2
83.04898	0.2
85.02818	0.8
87.00743	0.2
89.02323	0.8
93.03320	0.2
95.01279	0.2
96.95888	100.0
96.96770	4.2
97.95803	0.4
98.02326	0.9
99.00780	0.2
101.02315	0.6
102.65953	0.2
108.02094	0.2
113.02324	0.4
119.03378	0.2
119.04914	0.4
119.88617	0.2
129.01796	0.2
135.04362	0.3
137.02377	0.3
151.03873	0.2
153.01828	0.3
175.03857	0.2
197.66608	0.2
236.57454	0.2
255.06607	0.3
306.07407	0.2
315.12308	0.2
345.13324	0.3
387.14166	0.2
387.24069	0.2
490.33926	0.5
549.22186	0.2
549.29181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2346
Annotation	Tasumatrol N
Peak:m/z	Relative Intensity
55.01747	2.3
55.15233	0.9
57.03326	3.6
58.00463	1.6
59.01250	49.6
61.98703	1.5
65.54240	0.9
69.03320	1.8
70.98765	1.9
71.00854	1.2
71.01255	24.8
72.99169	3.6
73.02813	7.2
83.01257	5.9
85.02825	15.6
85.99975	1.0
87.00766	3.8
89.02317	5.6
91.32249	0.9
93.03349	2.4
95.01263	1.9
96.95860	1.2
97.02819	2.6
99.00765	5.3
101.02314	11.9
108.02068	1.1
109.02826	4.7
112.01569	3.0
113.02346	9.4
119.03400	1.1
119.04913	2.8
121.02854	14.0
122.03623	14.6
123.04408	2.5
124.01560	3.2
125.02336	2.6
129.94701	0.9
135.04387	5.5
137.02361	7.5
139.03995	1.1
145.04933	0.9
147.04433	1.8
148.05246	1.8
149.04774	2.0
149.05988	17.3
151.03951	1.4
154.02611	3.5
161.04485	2.2
161.05861	0.9
162.06783	1.6
163.07581	3.3
165.05472	4.7
169.06433	1.3
175.07500	2.5
191.05547	1.4
193.08638	1.5
209.10680	1.1
246.41591	1.2
299.12918	2.4
312.13788	1.1
313.14371	2.0
330.14767	18.5
331.15338	4.9
341.06570	1.0
343.07324	1.4
345.17056	49.3
346.17429	4.5
387.18298	2.1
387.23471	1.9
459.20001	2.1
489.21295	100.0
490.21613	13.1
507.22314	60.3
508.22690	7.6
549.22925	3.6
549.29785	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	549.292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58913	0.8
55.01745	3.2
56.58291	0.7
57.03308	3.0
58.00463	1.5
59.01252	47.7
60.01572	1.6
66.95835	0.7
67.01761	1.0
68.50327	0.7
69.03310	1.3
71.01252	39.3
71.55054	1.5
72.99174	5.4
73.02821	15.5
75.00749	1.2
77.89255	0.8
83.01266	6.2
83.92203	0.8
85.02338	1.4
85.02826	18.5
87.00734	2.8
87.04381	1.3
89.02317	18.1
91.00252	2.9
91.01780	0.8
91.05415	0.9
93.03320	1.1
95.01247	3.4
96.95285	1.0
96.95886	12.8
97.02825	1.2
97.06483	1.0
99.00760	13.4
101.02325	23.1
109.02813	2.6
109.06480	1.0
111.00744	2.4
113.02335	17.1
119.03370	3.7
119.04869	2.1
121.02786	2.2
123.04391	2.9
123.08046	0.9
125.02334	3.0
125.09591	2.0
128.03322	0.9
129.01797	1.8
129.05466	1.6
131.03392	2.2
134.03633	0.9
135.04430	11.2
137.02368	5.1
143.03397	1.6
147.04399	1.1
148.05196	1.6
149.02296	1.1
149.04446	3.6
151.03906	5.4
152.04655	2.3
153.01816	1.2
159.02853	2.7
160.01578	2.2
161.02336	1.8
161.04459	11.8
161.05954	5.7
163.03894	1.0
163.07582	1.3
164.04855	0.9
165.04175	0.9
165.05487	5.4
166.02638	1.7
169.12236	1.1
171.10178	2.9
175.03935	1.7
177.01866	1.1
179.03412	1.3
179.05602	1.7
179.07062	3.9
180.07388	0.8
181.05023	1.5
191.05479	3.0
191.07033	1.1
193.04901	1.2
196.03708	5.2
199.09590	0.9
199.13258	0.9
201.11243	2.7
211.06064	1.3
215.12819	2.3
255.06622	2.0
281.17502	2.5
283.09818	1.1
301.10791	3.0
323.07574	1.4
327.21829	1.2
337.09448	1.4
343.24902	1.0
369.22864	2.7
375.14658	1.0
387.14502	1.8
387.23846	5.8
388.24118	1.0
417.15698	1.9
417.24976	14.0
418.25180	2.4
472.99969	0.9
489.26715	1.2
505.16888	2.6
505.26215	2.9
517.13629	1.2
531.27649	1.4
549.16052	3.8
549.29108	100.0
550.29486	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	549.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69171	2.6
57.03312	5.3
58.37809	2.9
59.01253	100.0
71.00891	4.8
71.01256	55.9
71.22265	6.4
72.99188	7.1
73.02820	19.8
81.03310	3.2
83.01248	4.6
85.02831	13.7
87.00769	4.2
89.02322	71.2
93.03310	3.0
95.01257	4.8
96.95915	3.7
99.00756	42.0
101.02343	26.2
109.02804	2.9
113.02334	27.2
119.03400	18.0
121.02818	4.7
122.03631	4.3
125.02334	6.0
126.03145	3.3
131.03375	9.1
136.01559	24.2
137.02312	8.7
143.03371	5.3
149.02376	4.0
149.04477	24.4
151.00273	10.0
151.03932	32.6
152.04362	3.1
153.05492	3.6
159.04507	2.9
161.04443	8.1
163.03943	4.9
166.02658	31.3
167.91298	2.5
179.05511	9.6
179.06998	3.5
181.05029	38.3
191.05540	19.3
203.05463	5.9
203.07071	7.3
299.04987	2.7
300.02664	5.5
301.03491	5.8
309.15952	2.8
315.12393	4.1
357.09747	6.6
369.13397	8.0
372.12039	5.3
384.25027	3.0
387.14505	88.2
387.23813	9.7
388.14755	11.7
432.11246	3.2
463.22345	3.3
489.26910	3.4
505.09668	5.4
505.22580	3.5
531.80450	3.3
549.21954	2.2
549.29224	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	549.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03605	3.7
59.01254	100.0
59.30441	3.6
59.71667	4.3
66.19934	3.9
71.01260	40.2
73.02824	24.4
84.18500	3.8
85.02816	17.6
89.02316	38.1
91.45190	3.9
96.95913	8.9
97.00135	3.5
97.35920	4.0
99.00752	71.1
101.02291	23.3
113.02324	16.4
119.03430	7.4
121.02865	4.9
125.02371	5.5
129.01799	4.2
131.03392	11.8
135.04439	5.9
143.03375	4.6
149.04478	31.7
151.03970	4.8
153.05510	5.5
161.04460	10.4
191.05577	32.5
203.05557	16.0
205.03429	4.8
233.06552	6.2
306.07663	6.3
387.24005	7.6
463.21704	6.6
477.89731	4.9
505.22809	18.8
549.29083	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14040	0.2
54.71114	0.2
55.01759	0.3
57.03315	0.3
58.00466	0.3
59.01254	5.5
69.25354	1.9
71.01254	6.6
72.99199	0.2
73.02818	2.5
83.01251	0.8
85.02822	1.7
87.00764	0.4
87.04359	0.4
88.50204	0.2
89.01385	0.2
89.02323	2.1
93.03340	1.4
95.01270	0.3
99.00766	5.6
100.80715	0.1
101.02331	3.5
102.46600	0.1
107.83105	0.2
109.02873	0.2
113.02323	2.8
119.04919	100.0
120.05247	3.3
120.06088	0.1
121.02837	0.3
123.04404	0.2
125.02327	0.3
131.03418	0.8
133.02950	0.2
135.04411	0.4
143.03445	0.9
154.27190	0.2
159.02887	0.3
161.04477	2.6
173.06013	0.2
191.05530	1.5
203.05600	0.2
226.89281	0.2
255.10257	33.7
256.10635	2.6
293.08783	0.7
327.15753	0.2
339.37845	0.2
365.73639	0.2
386.19202	0.2
417.15387	0.8
434.96024	0.2
495.94635	0.2
549.19794	11.4
550.20148	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09909	2.1
55.01760	3.0
58.00463	4.9
59.01254	100.0
67.28428	2.2
69.62734	5.5
69.63146	11.8
71.01255	55.8
72.99194	6.1
73.02828	22.6
82.91610	2.3
83.01274	4.1
85.02830	15.7
87.00763	6.4
89.01757	3.3
89.02318	67.9
93.03318	2.5
95.01260	4.0
96.02242	2.2
96.95866	3.1
97.02839	2.5
99.00758	38.3
101.02324	27.9
109.02814	3.8
113.02338	23.8
119.03400	20.3
119.04886	2.2
121.02856	6.6
122.03647	3.9
123.00765	2.4
123.04417	4.1
125.02348	7.7
126.26392	2.4
131.03401	6.9
135.04390	3.5
135.23689	2.3
136.01566	30.2
137.02345	8.8
137.62054	2.4
138.03131	4.6
143.03409	6.9
149.02443	2.5
149.04474	21.2
151.00281	15.4
151.03908	49.4
153.05470	5.6
160.05251	2.3
161.02327	3.3
161.04443	5.7
163.03822	2.3
165.01868	2.2
166.02618	33.8
176.01073	4.1
177.01804	2.3
179.05621	11.0
179.06926	3.0
181.04993	40.9
187.03983	2.7
191.05502	16.8
203.05478	5.1
203.07118	5.4
299.47729	2.2
300.02850	5.6
301.03391	5.0
315.12231	4.3
316.12775	2.4
345.13422	3.3
357.09793	6.7
369.13452	10.9
372.12109	8.3
387.14490	88.6
387.23874	6.8
388.14896	9.8
388.22925	2.1
505.23230	3.7
549.21130	3.4
549.29352	35.1
550.29236	4.9
561.01801	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	549.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02521	0.3
51.20464	0.3
52.68197	0.3
59.01255	1.7
68.89838	0.3
70.51117	1.0
70.51514	0.6
70.77160	0.3
70.82661	0.3
71.69385	0.4
77.03852	1.6
121.02847	100.0
122.03185	3.8
130.77002	0.3
140.79507	0.3
147.04472	0.5
165.01852	53.1
165.90067	0.3
166.02237	2.0
180.05746	0.4
181.06529	2.5
197.06012	2.5
207.04405	0.7
225.05507	1.5
238.48730	0.3
241.03912	0.4
257.09647	0.5
313.07254	1.6
313.18063	0.5
357.06174	1.5
383.07648	0.6
389.10687	0.4
417.09839	2.6
505.11511	2.1
506.11188	0.4
529.20636	0.3
549.10400	23.8
550.10907	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	549.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.4
65.14404	1.7
71.57407	2.3
85.02834	2.5
96.95860	10.9
102.27249	1.6
112.95651	1.7
123.00806	10.0
124.01544	28.6
125.02337	34.1
149.99498	44.0
159.06686	1.6
167.03494	1.6
168.00554	100.0
169.01076	6.3
373.07642	4.9
463.05927	1.6
463.10941	58.9
464.11380	4.0
505.11972	65.6
506.12054	7.6
549.11096	2.3
550.08929	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	549.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
56.12761	0.2
57.03328	0.6
59.01255	7.6
61.98705	0.4
62.57091	0.2
71.01258	5.3
71.58131	0.4
72.99176	0.5
73.02835	2.8
74.31043	0.2
78.95770	0.8
79.95610	3.0
81.03365	0.3
83.01250	0.8
84.02023	0.3
85.02824	3.1
87.00764	0.7
89.02330	2.8
93.03332	0.5
95.01254	0.3
96.95895	100.0
97.02802	0.3
97.95811	0.3
99.00768	2.1
100.39253	0.3
101.02328	2.7
101.43693	0.2
109.02850	1.0
109.06522	0.3
109.36233	0.2
111.00748	0.6
113.02335	2.2
119.03419	0.6
121.02856	0.8
123.04427	0.7
124.01572	0.3
125.02341	1.1
129.01868	0.5
129.05426	0.2
133.02858	0.3
134.03677	0.6
135.04474	1.4
135.05298	0.3
136.01567	4.7
137.02362	1.5
147.04352	0.3
149.02338	0.5
149.04494	1.3
151.00339	0.7
151.03937	6.4
151.04990	0.2
152.04469	0.3
153.01909	0.3
153.99019	0.5
159.04442	0.4
160.05235	0.3
161.02316	0.4
161.04500	0.8
161.05830	0.4
162.03078	0.4
165.05441	0.4
166.02647	2.6
167.03275	0.4
169.01404	0.4
173.05994	0.3
175.03940	0.4
175.07472	0.3
177.01836	1.3
177.96758	0.3
178.06102	0.2
179.07062	0.3
181.05013	3.7
187.03969	0.3
189.01860	1.0
190.02634	0.5
191.03589	0.4
191.05498	1.0
201.11107	0.2
205.03471	0.6
217.01418	0.6
225.11337	0.7
229.40619	0.3
281.04819	0.3
282.05270	0.3
299.05478	0.3
327.12439	0.8
341.06744	2.2
343.24973	0.3
357.09781	1.3
369.22858	0.6
372.12143	0.7
383.11365	0.4
387.09464	0.5
387.14511	10.4
387.23502	1.4
388.14706	0.6
399.89856	0.3
451.10309	1.5
488.25809	0.5
489.26962	0.3
506.26648	0.6
548.28082	0.6
549.16626	0.5
549.29114	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	549.0887
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
57.03306	2.5
59.01250	15.2
69.84485	4.5
69.84901	6.4
71.01257	7.7
73.02817	2.0
74.02369	2.3
75.38327	1.6
75.89400	1.6
83.01257	2.5
85.02832	5.4
87.00756	1.6
89.02311	4.7
96.95882	3.2
98.20454	2.1
101.02310	3.6
107.01254	2.5
108.02065	3.3
109.02850	4.6
113.02320	3.8
121.02817	3.8
121.92690	1.7
123.04422	1.9
125.02349	2.4
128.03394	3.4
135.04399	4.5
143.04510	5.1
151.00276	12.2
151.03909	2.4
152.01085	1.8
159.04440	1.9
163.00284	2.2
163.03815	2.5
167.03441	2.0
176.93095	1.7
178.99754	3.6
179.04430	1.9
191.05643	2.1
193.04916	2.8
207.02911	2.0
211.03877	1.9
227.03450	2.2
243.02985	11.3
248.35162	1.8
254.02156	2.1
254.07703	2.6
255.02943	33.3
256.03357	2.0
271.02481	57.3
272.02899	4.4
272.08713	2.4
273.49054	2.0
289.07370	1.9
300.02750	100.0
301.03470	43.7
306.07571	8.7
387.14313	3.6
463.08920	2.9
505.09793	50.9
506.09940	7.8
549.29211	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	547.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39470	0.2
55.01749	0.3
57.03323	1.3
58.00464	1.0
59.01252	11.1
69.03326	0.7
71.01250	7.5
71.06673	0.4
72.99178	0.5
73.02821	1.3
78.34329	0.2
83.01256	0.9
83.04879	0.7
84.02036	0.2
85.02824	2.1
86.13818	0.2
87.00748	1.2
89.02317	6.6
89.39838	0.2
91.24045	0.2
93.03246	0.3
95.01252	0.6
97.02800	0.4
97.06452	0.4
99.00751	0.5
99.08038	1.6
101.02322	7.3
109.02822	0.3
111.08019	0.5
113.02329	3.6
113.09594	2.2
119.03388	2.0
122.03770	0.2
123.08056	0.4
125.02353	0.4
125.09553	0.3
127.07547	0.4
127.11195	0.3
129.09114	3.4
131.03365	0.3
139.11174	0.9
141.09103	0.5
143.03397	0.8
149.04478	0.2
151.11188	0.7
153.12773	0.6
155.10593	0.2
161.04445	3.6
163.11183	0.5
165.12666	0.3
167.10736	0.3
167.14320	0.5
169.12238	2.7
171.10162	1.7
179.05528	1.4
181.12257	3.4
183.13795	1.8
185.11736	0.5
189.01878	0.9
193.12300	1.4
197.11760	9.1
198.12047	0.4
199.13344	4.8
200.13638	0.4
201.11098	0.3
211.13344	17.5
212.13658	1.2
217.01366	2.1
227.12775	0.4
235.08139	0.3
249.22189	0.4
253.09259	30.3
254.09584	1.3
265.21756	0.6
267.48169	0.2
275.20065	1.3
293.21222	14.8
294.21533	1.3
309.20639	0.3
310.21182	0.4
311.22266	100.0
312.22617	9.9
327.05157	0.5
547.31134	2.7
548.31775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
58.00470	0.8
59.01257	12.5
62.57464	0.4
69.94681	1.1
69.95085	1.5
71.01261	7.1
73.02823	1.7
83.01269	1.0
83.04889	0.8
85.02824	1.2
87.00778	0.7
89.02330	6.8
97.02799	0.6
98.20554	0.4
99.00729	0.5
99.08031	2.0
101.02328	8.1
107.39460	0.4
111.08038	0.6
113.02335	3.2
113.09650	2.4
119.03392	1.8
121.53175	0.5
125.02406	0.7
129.09143	4.2
131.03403	0.5
139.11208	0.8
143.03418	0.9
150.97351	0.4
153.12859	0.6
161.04469	3.8
169.12256	2.4
171.10193	0.9
179.05516	1.4
181.12329	3.6
183.13826	2.0
193.12260	1.6
197.11775	7.5
199.13393	3.2
211.13359	17.1
212.13655	1.2
253.09285	34.4
254.09613	1.1
265.21799	0.8
275.20151	0.7
293.21262	12.7
294.21576	1.0
311.22290	100.0
312.22650	8.6
437.62143	0.5
547.31244	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	547.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03326	1.5
58.00467	1.0
59.01252	11.6
69.03319	0.4
71.01257	7.9
71.14690	0.5
72.99194	0.5
73.02820	1.0
83.01261	1.0
83.04897	0.6
85.02828	2.3
85.10744	0.2
87.00736	1.2
89.02320	8.5
95.01280	0.6
97.06489	0.4
99.00765	0.3
99.08048	1.9
101.02322	7.7
102.02644	0.2
111.08060	0.5
113.02323	3.6
113.09618	2.5
119.03400	2.1
123.08049	0.2
125.02382	0.4
127.07558	0.6
129.09103	5.2
129.10085	0.2
131.03368	0.5
135.04449	0.3
139.11218	0.7
143.03381	0.7
149.04433	0.5
151.11191	0.9
153.09157	0.3
153.12759	0.5
161.04469	3.8
163.11176	0.5
165.12675	0.3
167.10658	0.6
167.14325	0.5
169.12253	2.9
171.10191	0.8
179.05537	1.1
181.12268	3.9
183.13814	1.8
185.11690	0.3
189.01854	0.4
193.12260	1.9
197.11780	9.9
198.12086	0.5
199.13347	5.0
211.13344	19.5
212.13655	1.4
217.01367	1.0
227.12941	0.3
231.09042	0.2
235.08069	0.3
249.19023	0.2
249.22180	0.6
253.09270	30.9
254.09624	1.6
265.21692	0.7
275.20227	1.2
291.19751	0.3
293.21231	13.9
294.21490	1.7
311.22278	100.0
312.22623	9.4
412.50067	0.3
547.31274	3.3
548.31573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52727	0.9
55.01760	2.6
57.03310	2.4
57.28025	1.0
57.76348	1.1
59.01252	100.0
60.01595	1.3
71.01252	35.5
71.46124	3.0
72.99196	1.7
73.02816	20.8
75.16342	1.1
78.42511	1.1
82.60183	1.0
83.01255	5.8
84.85193	1.0
85.02819	16.0
87.00775	1.2
89.02321	12.8
95.50685	1.0
97.01880	1.0
97.02847	1.8
99.00755	21.3
100.01153	1.3
101.02324	25.7
113.02343	17.0
119.03375	2.0
125.02340	3.7
131.03395	2.1
143.03380	2.1
149.04494	7.2
159.02879	2.8
161.04465	12.4
191.05548	7.3
203.05495	2.7
211.17014	1.8
355.21133	2.3
373.22354	13.3
378.52631	1.2
415.23270	3.7
417.21146	1.8
487.25223	1.8
505.26569	35.1
505.33658	2.2
506.26855	3.1
547.27618	81.3
548.28192	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	547.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77982	0.6
52.20252	0.5
52.90980	0.4
55.01762	2.1
57.03337	3.6
58.00459	0.8
59.01253	100.0
60.01579	0.9
69.03342	0.9
69.62480	3.9
70.82865	0.5
71.01255	34.3
71.04905	0.8
72.99187	1.7
73.02822	20.1
75.00758	0.8
81.03345	1.0
83.01263	5.1
83.04895	0.9
85.02825	12.5
87.00762	3.3
89.02320	15.2
92.10345	0.5
95.01305	2.3
97.02878	1.4
97.06528	0.5
98.02392	1.4
99.00761	17.6
101.02324	24.3
102.02728	0.6
107.04981	0.9
109.02867	1.4
112.01607	1.2
113.02334	16.6
119.03458	1.9
120.05766	0.7
121.02911	2.1
125.02411	2.0
128.31496	0.5
130.08658	2.6
131.03387	2.6
135.04399	4.0
135.06607	0.9
138.09210	0.5
141.06635	0.6
143.03506	1.9
149.04456	4.7
159.03052	2.2
161.04489	10.4
161.09647	3.3
161.13341	2.6
162.73280	0.5
163.11234	2.5
166.08818	1.2
179.10808	0.9
187.11203	4.5
189.09357	2.1
191.05553	4.9
200.04202	0.5
203.05716	1.5
205.06688	1.4
205.12314	2.5
207.10229	3.1
211.17116	1.2
223.13376	7.5
249.11264	3.0
261.16608	0.6
264.74692	0.6
267.12347	3.8
279.17282	0.7
297.11853	3.2
299.76218	0.5
321.93588	0.5
323.16089	7.5
341.14407	2.1
355.21588	1.4
373.22281	14.1
374.23245	1.6
415.23346	2.9
487.26324	1.3
505.19644	0.9
505.26541	24.1
506.27017	2.7
529.23535	3.3
547.28351	42.5
548.28766	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	5.2
57.03318	5.6
58.00458	1.5
59.01252	100.0
60.01598	1.0
63.52888	0.9
68.99673	1.2
69.03334	5.6
69.53520	6.1
69.53928	2.0
71.01257	55.4
72.01601	1.6
72.99194	6.1
72.99557	1.3
73.02821	17.1
75.00741	1.2
79.45619	0.9
79.60123	1.0
81.03327	1.6
83.01260	8.2
84.37201	0.8
85.02824	41.2
86.03127	1.1
87.00280	1.6
87.00761	11.7
89.02318	18.7
93.03315	1.8
95.01274	8.8
97.02831	8.0
98.19839	1.8
99.00754	19.7
99.01348	1.7
101.02328	29.8
107.04935	1.1
109.02819	4.5
111.00758	5.1
111.04417	2.2
112.01575	2.8
113.02332	48.9
115.03871	2.5
119.03395	3.2
121.02775	1.5
123.04454	1.8
125.02345	6.3
127.03867	1.5
129.01860	1.6
131.03401	3.7
133.81583	1.1
135.04378	1.6
137.02338	5.2
141.01884	1.1
143.03406	8.6
145.04953	1.1
147.71332	0.9
149.04469	6.3
151.03906	2.1
155.03471	2.2
159.02887	1.8
161.02409	1.9
161.04475	14.2
173.04495	2.6
191.05531	3.9
211.03978	2.0
211.17070	1.8
215.05624	1.6
218.56111	1.0
233.06552	1.5
241.05281	1.1
275.07599	1.4
307.12024	1.2
307.19165	2.5
328.13257	1.4
343.15463	3.5
361.11935	1.1
367.45804	1.2
373.22314	9.7
415.23352	8.2
417.21164	1.5
429.25177	1.2
487.25455	59.9
488.25784	8.0
503.25180	1.9
505.26572	73.4
506.26880	9.5
547.28278	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.0
56.89779	1.3
57.03336	3.8
59.01250	100.0
60.99187	5.2
69.72571	10.1
71.01253	31.2
72.99165	3.5
73.02823	16.9
74.44604	1.3
83.01265	4.5
85.02840	13.3
87.00753	4.3
87.04386	1.4
88.00308	1.8
88.98680	36.7
89.02315	23.2
93.03340	1.3
95.01241	2.0
96.95898	3.2
97.02892	2.0
99.00768	26.4
101.02325	18.3
108.02074	1.6
111.00785	1.9
113.02337	17.7
119.03414	3.1
121.02854	2.2
125.02326	3.4
131.03403	5.3
132.15059	1.3
135.04443	2.8
137.02374	2.1
139.03882	1.4
143.03368	2.1
148.05214	1.8
149.02348	1.6
149.04469	14.3
159.02876	1.6
161.04475	6.3
165.01810	1.8
177.01859	1.9
191.05551	13.5
193.05127	1.8
194.81007	1.2
203.05545	3.9
228.20490	1.5
231.10045	1.7
233.06544	2.7
322.89014	1.7
415.23254	1.5
457.17453	2.2
485.24005	2.0
487.25470	11.3
488.25742	2.1
503.24982	31.5
504.25568	4.5
505.26682	13.6
506.26758	1.8
547.27954	14.7
572.46503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03323	1.5
58.00487	1.2
59.01252	100.0
59.33845	0.6
60.01593	0.6
65.27575	0.5
69.03355	0.5
71.01255	33.0
71.04896	1.6
71.58917	0.9
71.59284	0.5
72.99185	2.8
73.02820	13.1
75.00751	0.9
83.01264	3.4
83.06327	0.5
85.02827	9.7
87.00754	2.8
89.02321	28.0
93.03312	0.9
94.99634	0.5
95.01267	2.4
97.02850	1.7
99.00756	15.3
101.02323	20.8
109.02847	1.8
113.02328	16.3
119.03401	7.5
119.04903	0.6
120.03760	0.6
123.04412	0.8
125.02365	2.2
131.03407	2.5
134.03636	0.5
135.04381	3.0
136.01591	0.6
136.03778	0.5
136.04768	0.8
137.02335	0.8
137.09604	2.7
143.03400	2.5
149.04442	3.0
150.03128	0.6
151.03951	0.6
159.02884	1.2
161.02377	0.9
161.04489	6.0
167.10565	0.6
175.07625	0.7
177.01859	2.1
179.05577	0.8
189.01868	5.0
190.02513	0.7
191.03539	0.6
191.05516	3.3
191.07031	0.7
205.05174	0.5
205.08658	1.5
206.08955	1.1
211.16974	5.6
216.00525	1.0
217.01375	5.8
219.02979	1.1
219.60553	0.5
223.13316	0.8
236.09979	0.7
287.05783	0.7
327.05038	1.1
327.12378	0.6
341.06659	4.6
341.14313	0.6
342.07126	0.6
342.14456	1.0
343.14764	1.6
355.21164	2.3
373.22321	13.2
374.22498	0.8
385.26035	0.7
415.23355	8.1
416.23627	1.1
419.11514	1.4
487.25519	1.3
487.32520	1.1
505.26587	24.1
506.27054	3.2
547.27606	78.0
548.20123	0.8
548.28052	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	547.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.4
57.03326	4.9
58.00471	0.9
58.06189	0.4
59.01253	100.0
60.01603	1.1
69.03336	0.9
69.73469	0.4
71.01257	32.7
71.04937	0.5
71.13740	1.3
72.01646	0.4
72.99202	0.8
73.02820	17.3
73.03914	0.4
83.01271	4.9
83.04900	0.9
85.02831	13.1
87.00771	3.3
89.02319	12.9
91.05437	0.5
95.01266	2.7
96.00838	0.5
97.02865	1.8
98.02359	1.6
99.00764	15.5
101.02326	21.7
101.35112	0.5
107.04945	0.9
109.02856	0.6
111.00751	0.6
112.01557	1.3
113.02332	14.8
114.02684	0.5
115.03886	0.5
115.05070	0.4
119.03400	2.2
120.05695	1.2
121.02838	1.0
124.01540	0.5
125.02348	2.8
129.01830	0.6
130.08644	2.1
131.03406	2.4
135.04430	4.1
135.06529	1.0
138.09178	1.6
139.78831	0.5
141.06590	1.3
143.03400	2.2
149.04478	3.7
159.02966	2.2
161.04483	9.5
161.09619	4.5
161.13255	4.3
163.11177	4.7
166.08685	1.6
173.04504	0.5
179.05551	0.9
179.10776	0.6
187.11208	5.5
189.09131	2.6
191.05562	4.3
194.84355	0.5
203.05498	1.1
203.07164	1.1
205.06586	1.0
205.12231	2.6
207.10197	4.1
211.17030	1.4
223.13350	9.4
233.06685	0.5
249.11317	3.9
267.12317	5.0
289.01556	0.5
293.37048	0.5
297.11969	4.2
323.16101	7.6
324.16443	0.6
341.13998	1.8
355.21387	0.9
373.22296	10.7
373.26718	0.8
374.22589	1.1
415.23492	2.1
487.25519	1.5
505.26559	23.2
506.26974	2.2
529.23407	2.4
530.23700	0.6
547.26904	37.8
548.27667	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	547.1669
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
59.01250	4.9
67.53198	0.4
71.01254	3.7
71.05955	0.8
71.06264	0.4
72.99186	0.5
73.02813	1.7
78.07275	0.4
79.05405	0.8
81.03311	2.8
83.01243	0.8
84.86160	0.4
85.02832	1.0
89.02322	1.9
93.03323	0.5
95.04887	1.1
96.95840	0.6
99.00752	4.4
101.02317	1.3
105.40668	0.4
107.04919	1.2
108.02042	0.8
109.02856	2.5
110.65970	0.3
113.02345	2.9
117.16823	0.3
121.02844	0.5
122.03633	2.0
123.04409	38.3
124.01585	0.8
124.04736	2.0
125.02333	1.1
133.02846	1.9
135.04399	1.0
136.01463	0.6
137.02336	16.5
139.03938	1.1
140.42508	0.3
149.02342	1.1
150.03145	4.0
151.03912	100.0
152.04706	27.7
153.05029	1.4
155.94495	0.4
161.04581	0.4
166.02600	0.7
167.03392	1.0
167.07054	11.7
168.07343	0.7
177.01825	1.4
177.05508	0.5
178.02626	22.1
179.03246	1.9
191.05551	1.2
193.04984	47.4
194.05367	2.6
195.02916	12.1
196.03693	29.5
197.04102	1.6
210.05301	1.1
211.06039	5.2
211.09653	0.5
238.04979	0.6
400.09995	1.6
415.12659	2.1
487.14548	5.2
488.15094	0.8
503.13943	0.6
505.15738	0.5
529.15601	14.7
530.15668	2.3
532.14349	5.9
533.14856	0.7
547.16663	86.7
548.17004	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	547.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
55.50019	0.4
56.16576	0.4
57.03322	0.7
59.01254	64.9
60.01589	0.5
64.15243	0.4
69.28384	4.9
71.01254	6.7
72.99179	0.7
73.02821	3.2
83.01289	0.8
85.02838	3.0
87.00774	0.5
89.02332	2.6
91.05382	0.4
93.03335	2.5
96.95938	0.5
97.06493	0.4
99.00754	2.4
100.89588	0.4
101.02330	4.1
109.02846	1.3
113.02329	2.7
119.04919	100.0
120.05271	4.0
121.02845	0.7
123.04420	0.4
131.03419	0.4
135.04427	3.9
136.04744	1.5
149.04526	0.6
161.04517	2.6
171.10143	0.8
177.01788	0.7
189.01862	1.9
191.05498	1.2
201.09146	0.8
216.00668	0.6
217.01370	3.4
311.21771	0.5
325.14447	43.8
326.14822	4.9
327.05093	1.7
339.55359	0.4
342.14221	0.7
343.14740	1.0
343.28537	0.7
449.08139	0.6
487.19666	0.6
487.32617	1.8
505.20404	0.9
505.33356	1.0
509.26349	0.6
511.36313	0.5
547.20789	1.1
547.31409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
59.01251	6.6
65.00208	0.6
65.27498	0.4
69.46157	3.5
71.01257	3.6
72.99197	0.6
73.02820	1.2
80.96386	0.8
81.03330	4.8
83.01244	2.9
85.02816	2.9
85.82528	0.3
87.00787	1.1
89.02323	2.0
93.03352	0.5
95.04933	0.7
96.95891	2.1
99.00761	0.9
99.04417	0.6
100.82665	0.4
101.02332	1.9
109.02821	0.8
111.95975	0.4
113.02327	1.3
116.92755	0.9
119.04917	0.4
121.02842	0.9
123.04410	38.0
124.04742	1.2
125.02337	18.5
126.02690	0.6
129.01831	0.8
135.04395	0.5
136.39687	0.4
137.02335	1.4
138.03174	0.6
139.03923	0.5
141.17770	0.5
143.04572	0.6
149.02365	2.8
149.04327	0.5
151.00296	1.7
151.03946	1.1
153.01817	0.8
161.04526	0.4
163.03812	0.5
164.04652	0.9
165.01750	0.6
165.05219	0.6
166.02628	1.7
167.03412	100.0
168.03745	3.8
179.03467	1.6
179.10617	0.5
181.04953	0.5
189.05618	0.5
191.01888	0.6
191.03427	5.0
191.05531	1.9
193.04993	0.9
207.02869	0.4
209.04498	2.5
223.06073	1.3
224.06413	1.2
299.07822	3.2
341.08774	9.0
342.09146	0.8
371.09995	0.7
385.13177	0.8
461.13174	1.4
503.14084	59.1
504.14444	7.0
547.19879	1.5
547.27563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	11.8
59.01251	92.7
61.98700	6.0
69.03319	18.2
69.77044	37.2
71.01257	59.1
72.99193	10.4
73.02821	16.0
80.96392	7.9
81.03351	9.4
83.01260	10.9
85.02828	49.3
87.00721	7.2
89.02309	30.8
93.03324	8.9
96.95887	61.8
97.02843	12.5
98.20510	5.8
99.00746	23.1
101.02291	34.2
107.01297	7.0
108.02041	19.9
109.02843	22.5
110.31157	5.4
113.02319	23.4
118.43627	5.5
119.03391	10.5
119.97611	6.1
123.04495	8.7
123.45437	5.2
125.02369	34.3
129.01848	8.5
131.03540	6.1
131.30649	5.5
133.02879	7.1
135.00780	59.7
135.04391	13.2
137.02357	15.2
146.84169	5.2
147.04436	6.1
150.03059	8.0
151.00282	6.0
151.03893	15.9
152.01059	25.9
153.01845	8.9
161.02281	7.7
161.04443	11.6
165.01898	6.1
165.05513	5.1
166.02641	10.8
167.02110	9.1
167.03430	100.0
173.04514	7.2
173.05968	7.9
177.01857	6.2
179.03357	10.5
191.05524	55.0
193.04939	9.7
205.03481	6.8
230.27783	5.8
265.98627	6.0
315.07202	8.4
366.63785	6.2
371.09674	10.6
385.12958	23.0
461.12744	20.0
471.11386	18.5
489.39618	6.0
503.13943	37.6
504.14664	15.3
547.18622	41.4
547.27417	17.2
551.96716	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	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02969	0.6
55.01753	1.0
57.03317	2.8
59.01249	21.6
69.02193	0.6
69.03310	1.7
69.64095	1.4
69.64495	4.1
70.08858	0.8
70.17690	0.5
71.01254	14.2
72.34733	0.6
72.99194	1.6
73.02814	2.8
80.02530	1.1
81.03338	0.8
83.01259	3.7
83.04898	1.4
85.02840	4.5
87.00748	1.9
89.02318	11.3
93.03336	0.8
95.01250	1.4
95.04886	1.0
97.02823	1.3
97.06464	2.3
98.03606	0.7
99.00751	1.3
99.08038	1.1
101.02332	14.2
111.08072	1.0
113.02325	7.4
113.09599	1.3
119.03377	3.6
123.04399	0.8
123.08034	1.3
125.05962	1.2
125.09605	2.6
127.11202	0.8
133.04971	0.7
135.04460	0.7
137.09642	0.8
139.11198	1.9
141.09044	0.7
143.03387	1.5
151.11176	3.7
153.12831	0.6
161.04469	6.2
161.09694	0.9
163.11179	2.4
165.12770	11.5
167.10678	2.7
171.10144	1.0
172.05168	0.7
179.05493	2.1
179.10696	1.7
179.14355	1.0
181.12209	5.0
183.13812	2.0
184.05267	1.3
191.05559	1.9
191.10715	2.6
193.12245	0.9
193.15863	3.1
197.11682	0.7
199.07671	0.9
207.10295	0.7
209.11784	37.5
210.12138	2.2
211.13382	1.2
227.12868	4.5
235.08194	1.0
247.20621	8.0
253.09276	41.2
254.09570	1.6
265.21683	8.8
273.18600	2.6
281.21344	1.3
283.22708	1.9
287.63809	0.8
291.19662	55.4
292.20062	5.6
309.20709	100.0
310.21048	9.6
327.21658	1.2
345.22800	2.3
445.20538	3.0
527.29565	1.6
545.29956	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.6
57.03322	1.8
58.00455	0.6
59.01251	13.6
67.01770	0.3
69.03336	1.2
71.01254	9.9
71.04884	0.5
71.16299	0.7
72.06570	0.2
72.99175	0.6
73.02821	1.6
78.57365	0.3
80.02548	1.0
80.65020	0.2
81.03325	1.3
83.01270	2.3
83.04901	1.6
85.02827	2.3
87.00763	1.4
89.02320	8.7
91.03860	0.4
93.03324	0.4
95.01287	0.9
95.04905	0.9
96.95881	0.7
97.02826	0.6
97.06462	1.3
98.02596	0.2
98.03629	0.5
99.00778	0.9
99.08038	1.4
101.02322	9.9
109.02784	0.3
109.06498	0.5
111.00800	0.3
111.08048	1.1
113.02322	4.2
113.09606	0.9
119.03395	2.2
119.04901	0.3
123.04414	1.0
123.08068	1.1
125.02359	0.6
125.05964	1.0
125.09612	2.3
127.07568	0.3
127.11176	0.6
129.09169	0.3
131.03452	0.4
134.23557	0.3
135.08060	0.5
137.09616	0.7
139.07639	0.3
139.11136	1.8
141.09087	0.5
143.03423	0.7
149.04495	0.4
149.09608	0.3
151.11195	3.2
153.09177	0.3
153.12766	0.8
161.04449	4.6
161.09653	0.5
162.10445	0.3
163.11200	3.4
165.09097	0.3
165.12756	10.4
166.13121	0.5
167.10744	1.9
167.14227	0.3
168.11424	0.6
171.10201	1.3
177.12732	0.4
179.05551	1.6
179.10742	1.2
179.14340	0.7
180.11412	0.3
181.12265	4.6
182.12512	0.3
183.13885	1.8
185.11755	0.3
191.10736	2.6
191.14464	0.3
193.12285	0.3
193.15926	2.7
195.10268	0.3
197.11728	0.4
207.10239	0.6
207.13791	0.3
209.11774	33.3
210.12112	1.7
211.13319	1.4
219.17529	0.3
225.11258	0.4
226.11908	0.3
227.12837	3.1
229.19655	0.4
235.08192	0.8
247.20631	7.6
253.09264	33.4
254.09596	1.8
263.20282	0.5
265.21710	7.6
266.22012	0.4
273.18649	2.0
274.76981	0.3
281.21191	0.7
283.22791	1.5
291.19659	55.9
292.19998	5.7
293.21408	0.3
307.19156	0.5
309.20706	100.0
310.21066	9.1
311.22433	0.4
327.21768	0.6
356.23642	0.3
403.15112	0.3
445.20740	2.0
446.20932	0.5
512.68909	0.3
545.29675	3.9
546.29742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41471	0.7
55.01752	1.4
57.03315	1.6
58.00463	1.5
59.01253	34.6
61.98699	0.6
66.83167	0.6
67.01749	0.7
69.03316	1.9
71.00888	1.3
71.01256	13.4
71.04892	1.1
71.15569	1.6
72.99171	0.9
73.02818	4.1
83.01261	1.4
83.04885	1.2
84.02021	0.8
85.02826	4.6
86.74558	0.5
87.00750	3.1
89.02322	12.4
92.02554	0.6
93.03349	5.9
93.63592	0.8
95.01259	0.9
97.02840	5.5
97.06459	1.4
99.00758	1.9
101.01694	1.3
101.02332	14.8
109.02866	1.5
111.04366	1.1
111.08052	10.2
113.02325	6.2
119.03381	2.8
119.04916	13.5
121.02910	0.7
121.10115	0.6
125.02328	1.3
125.09606	1.3
127.07578	1.3
134.03654	1.4
135.04420	81.8
136.04759	4.1
137.02335	0.7
137.09586	1.9
143.03381	1.1
149.04414	1.0
151.03917	1.3
153.12791	1.1
159.03003	0.7
161.04483	6.5
169.12248	2.9
171.10182	6.4
173.04407	3.5
177.05547	0.6
179.05550	2.4
181.12300	1.3
183.13829	2.2
191.05553	9.3
192.05820	0.7
195.13846	2.4
197.11777	45.0
198.12125	2.2
199.13371	3.3
205.08665	1.5
209.09737	2.8
209.11591	1.3
211.13348	16.5
212.13705	0.8
215.07076	1.7
221.11852	0.9
221.15485	2.1
223.16997	1.5
227.12776	1.9
233.15424	1.8
239.12759	0.7
247.20473	0.9
251.16473	5.7
253.09282	45.2
254.09596	2.1
256.07303	1.2
263.20175	3.8
265.18167	1.9
273.18594	1.8
291.19662	35.4
292.20016	2.8
309.20718	100.0
310.21185	7.9
323.12875	2.9
329.77338	0.7
341.13943	16.5
342.14395	2.2
346.62341	0.7
353.13959	0.7
383.15244	1.0
485.18405	1.7
485.30768	0.9
503.19107	1.9
527.28314	1.1
545.20209	3.0
545.29376	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	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	11.2
59.01254	28.0
69.03339	2.3
71.01252	22.8
71.59167	1.4
71.59531	1.8
73.02830	3.6
80.02534	1.4
81.03327	2.2
83.01260	1.8
83.04900	4.7
85.02824	5.5
86.32724	1.3
87.00727	1.8
89.02315	9.4
93.03346	1.4
95.01254	1.6
95.04871	2.8
96.95872	1.9
97.06470	3.4
101.02335	13.3
111.08043	5.0
113.02364	7.0
113.09579	4.2
119.03368	3.9
123.08041	1.6
123.99178	1.2
125.02352	1.5
125.09621	2.1
127.11066	1.2
137.09630	1.6
139.00279	3.4
142.62376	1.3
143.03435	1.5
151.11198	25.8
153.12746	2.4
161.04475	5.8
163.11189	5.4
165.12761	29.8
166.13013	1.3
167.10631	1.9
179.05495	2.0
179.10699	7.2
181.12265	27.0
183.13820	4.5
191.10718	16.0
209.11766	100.0
210.12129	6.1
211.13286	4.7
225.11287	1.5
227.12860	24.7
228.13286	2.8
235.08241	2.6
247.20633	5.3
253.09245	33.7
254.09605	1.9
263.20102	3.5
265.21677	18.2
266.86206	1.6
281.21030	3.3
291.19684	11.1
301.16812	1.8
309.20721	49.8
310.21094	4.4
445.20746	14.1
527.28143	1.6
545.29669	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	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22641	0.7
54.35619	0.9
55.01765	1.3
57.03311	2.0
58.00468	1.5
59.01256	23.9
69.03323	1.7
70.16208	2.0
70.16600	1.7
71.01254	17.9
72.99174	1.8
73.02818	3.0
80.83858	0.9
83.01279	1.0
85.02825	3.8
87.00771	2.8
87.38992	1.0
89.02322	15.0
95.01257	1.3
99.00773	1.2
101.02327	14.8
102.02547	0.9
109.06524	1.1
111.08039	21.4
113.02338	9.0
119.03410	4.6
125.02338	0.9
127.07540	1.1
135.74619	0.9
143.03384	1.1
151.11287	1.4
153.12759	2.0
161.04468	6.0
169.12268	8.5
179.05527	2.0
181.12239	1.5
191.05606	1.3
197.11771	95.9
198.12051	5.3
199.13269	6.4
207.10065	1.1
209.11797	1.2
211.13348	10.2
227.12781	2.6
253.09276	53.4
254.09622	3.2
263.20114	5.1
265.18109	2.8
273.18555	1.5
291.19672	29.0
292.19980	2.4
309.20715	100.0
310.20996	7.8
545.29565	14.3
546.29425	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72099	0.7
57.03316	1.6
58.00461	1.1
59.01248	24.2
67.01756	0.9
69.03313	1.8
69.29411	1.5
69.29820	7.4
71.01250	12.3
71.04900	1.5
72.99169	1.0
73.02806	2.3
83.04921	1.6
84.85549	0.7
85.02814	4.0
87.00761	3.8
89.02318	11.7
93.03349	4.7
97.02832	2.0
97.06479	0.8
101.02312	12.3
111.04414	0.9
111.08046	11.3
113.02350	5.0
119.03392	3.3
119.04921	8.1
120.05247	1.1
121.10110	2.2
123.04394	1.3
125.09624	1.8
127.07546	0.9
135.04410	17.4
136.04744	3.1
149.02330	1.0
149.04478	0.8
161.04442	5.9
169.12236	3.0
170.14012	0.8
171.10213	3.1
173.04436	4.4
179.05493	2.1
183.13803	2.6
191.05519	10.7
193.12279	0.9
195.13779	1.7
197.11772	49.7
198.12119	3.4
199.13329	4.4
205.08464	0.8
209.09709	1.6
209.11761	2.1
211.13358	13.1
214.06314	0.9
215.06982	2.1
223.16937	2.2
227.12866	1.4
233.15446	2.9
236.67398	1.0
251.16478	10.7
253.09256	45.8
254.09529	2.1
263.20120	3.0
265.18036	1.4
266.74463	0.7
273.18466	2.8
291.19666	32.4
292.20001	2.9
309.20703	100.0
310.21024	9.0
321.07748	0.8
323.12576	1.7
338.87772	0.9
341.13721	2.9
485.30655	1.3
527.28833	1.2
545.20044	1.5
545.29272	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
58.00475	0.9
59.01253	13.0
59.03721	0.6
61.67527	0.6
62.09987	0.6
63.24241	0.6
67.15664	0.6
69.03313	1.7
71.01254	10.6
72.99181	0.9
73.02817	2.4
80.02536	0.7
83.01249	0.8
83.04875	0.8
85.02834	1.7
87.00742	1.5
89.02324	11.8
90.90105	0.6
95.01348	0.7
97.02833	8.4
98.19851	2.0
98.20547	1.8
101.02326	10.8
109.06464	0.7
111.08050	8.2
113.02322	4.7
113.62997	0.7
119.03400	2.4
119.08557	0.8
125.09605	2.3
125.44842	0.6
132.38348	0.6
134.45546	0.6
137.09613	2.1
141.01646	0.8
153.12755	1.0
153.94756	0.6
161.04471	5.1
163.11194	1.7
165.12752	5.4
169.12259	2.5
171.10176	5.9
179.05507	1.8
179.14424	0.8
181.12215	1.9
183.13879	0.8
193.12230	1.1
193.15987	0.7
197.11774	34.3
198.12062	1.7
199.13275	2.1
209.11774	2.5
211.13319	6.0
214.96545	0.7
223.13199	0.8
227.12846	4.7
229.70132	0.8
247.20621	3.8
253.09261	39.9
254.09671	1.3
263.20175	1.4
265.18109	0.9
273.18552	2.7
278.24155	0.6
291.19669	48.2
292.19931	4.2
309.20706	100.0
310.21106	10.1
327.69891	0.6
357.72906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.4
57.03328	3.3
58.00470	1.2
59.01252	100.0
60.01584	0.8
67.01768	0.6
68.99700	0.5
69.03329	1.0
70.00494	1.4
70.60564	0.3
71.01255	37.1
72.01599	0.6
72.99181	2.1
73.02821	17.8
75.00755	1.4
81.03334	0.7
83.01261	7.0
83.04916	0.5
84.02029	0.6
85.02827	21.5
85.99976	0.5
86.03168	0.4
87.00769	2.1
89.02322	9.3
90.37703	0.3
93.03333	0.9
95.01257	2.9
96.95868	0.8
97.02831	2.2
99.00757	11.5
99.04398	0.4
101.02325	24.2
102.02644	0.4
109.02829	0.5
111.00764	4.0
111.80685	0.3
112.01546	1.2
113.02333	15.1
115.03949	0.4
117.54552	0.3
119.03406	1.2
119.04925	1.3
121.02841	0.5
123.04435	0.4
125.02338	3.6
127.03892	0.4
129.01833	2.6
131.03427	1.7
133.02893	0.6
134.03658	1.3
135.04431	0.9
136.88937	0.3
137.02357	0.9
139.00325	0.3
143.03384	2.0
145.02872	1.0
149.02455	0.4
149.04488	1.3
149.05911	0.3
151.03943	0.8
151.07553	0.5
155.03427	0.3
159.02916	2.0
160.01653	0.4
161.02400	0.4
161.04471	10.0
163.03952	1.3
165.05394	0.4
173.04568	0.6
175.03923	0.9
176.79715	0.3
177.01892	0.9
179.03371	0.4
187.02417	0.4
191.03809	0.4
191.05487	2.8
193.04980	1.0
205.03459	1.4
209.15410	3.0
209.17010	0.3
223.04504	0.9
224.01903	0.3
232.41086	0.3
233.15549	0.4
237.07736	0.4
261.07782	0.6
289.07251	0.4
305.17569	1.2
323.12759	0.4
341.10266	1.6
341.13922	0.3
353.19641	2.9
354.19952	0.3
357.68964	0.3
371.20715	18.6
372.20895	1.5
413.21768	4.4
414.21707	0.5
485.23993	2.2
486.24573	0.4
501.34149	0.6
503.24979	32.8
504.25400	4.8
545.26050	47.7
546.26440	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	545.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
62.42989	13.4
66.56303	12.6
70.35732	13.8
71.58194	15.4
165.01854	12.3
171.10135	19.1
216.77303	13.6
236.12993	13.3
253.09406	27.1
263.89975	13.2
309.20651	28.9
353.77225	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	545.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.9
57.03317	2.3
58.00460	2.0
59.01253	75.6
61.49327	0.7
66.44181	0.6
69.03310	1.4
69.25447	8.1
71.01257	45.9
72.01601	1.1
72.39616	0.9
72.99191	3.5
73.02821	32.6
80.96383	1.3
81.03336	1.5
82.95967	1.4
83.01259	6.5
85.02824	10.8
87.00761	2.8
89.02319	41.0
91.05396	0.9
93.03324	2.7
95.01249	2.1
96.95886	1.3
97.02826	2.8
98.60641	0.7
99.00762	100.0
100.01086	1.8
101.02329	18.4
109.02847	1.6
111.00754	0.9
111.68578	0.7
113.02331	16.2
119.03413	4.4
119.04900	8.7
121.02836	1.3
123.04440	1.3
125.02348	8.0
127.03919	1.3
131.03397	13.6
135.04420	3.5
137.02322	2.9
137.52289	0.7
143.03413	4.7
148.05222	0.8
149.04466	39.9
150.04860	0.8
151.03888	1.7
155.03416	5.2
161.02354	1.4
161.04475	9.5
161.05838	1.1
161.13239	0.7
165.09085	1.1
173.04507	1.4
175.07657	1.0
179.03395	1.1
179.05505	1.4
185.04419	0.8
187.11282	0.9
189.09177	1.3
191.05551	50.9
192.05934	1.6
193.08641	1.2
203.05540	20.6
203.07074	1.6
204.05911	1.0
205.04964	0.8
205.08652	2.7
205.12216	1.2
217.01157	0.7
217.08488	0.7
221.08205	3.1
233.06644	7.7
282.18588	0.8
289.07224	1.2
311.12949	1.0
313.11243	0.9
323.12866	1.5
326.11777	1.0
335.06033	0.7
335.09964	1.9
339.12430	0.9
341.13950	8.5
342.14194	1.1
371.20569	1.8
383.15366	1.5
413.21735	1.8
503.24936	6.9
545.26843	19.2
546.26880	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.9
57.03317	2.3
58.00460	2.0
59.01253	75.6
61.49327	0.7
66.44181	0.6
69.03310	1.4
69.25447	8.1
71.01257	45.9
72.01601	1.1
72.39616	0.9
72.99191	3.5
73.02821	32.6
80.96383	1.3
81.03336	1.5
82.95967	1.4
83.01259	6.5
85.02824	10.8
87.00761	2.8
89.02319	41.0
91.05396	0.9
93.03324	2.7
95.01249	2.1
96.95886	1.3
97.02826	2.8
98.60641	0.7
99.00762	100.0
100.01086	1.8
101.02329	18.4
109.02847	1.6
111.00754	0.9
111.68578	0.7
113.02331	16.2
119.03413	4.4
119.04900	8.7
121.02836	1.3
123.04440	1.3
125.02348	8.0
127.03919	1.3
131.03397	13.6
135.04420	3.5
137.02322	2.9
137.52289	0.7
143.03413	4.7
148.05222	0.8
149.04466	39.9
150.04860	0.8
151.03888	1.7
155.03416	5.2
161.02354	1.4
161.04475	9.5
161.05838	1.1
161.13239	0.7
165.09085	1.1
173.04507	1.4
175.07657	1.0
179.03395	1.1
179.05505	1.4
185.04419	0.8
187.11282	0.9
189.09177	1.3
191.05551	50.9
192.05934	1.6
193.08641	1.2
203.05540	20.6
203.07074	1.6
204.05911	1.0
205.04964	0.8
205.08652	2.7
205.12216	1.2
217.01157	0.7
217.08488	0.7
221.08205	3.1
233.06644	7.7
282.18588	0.8
289.07224	1.2
311.12949	1.0
313.11243	0.9
323.12866	1.5
326.11777	1.0
335.06033	0.7
335.09964	1.9
339.12430	0.9
341.13950	8.5
342.14194	1.1
371.20569	1.8
383.15366	1.5
413.21735	1.8
503.24936	6.9
545.26843	19.2
546.26880	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94392	0.2
55.01761	2.1
57.03323	3.3
58.00470	1.4
59.01252	100.0
60.01588	1.0
62.44355	0.2
65.62631	0.2
67.01788	0.4
68.99702	0.4
69.03323	1.3
71.01254	39.4
71.58701	0.2
71.59147	0.2
72.01602	0.6
72.99164	2.1
73.02820	18.3
74.03152	0.3
75.00754	1.3
81.03342	0.5
83.01258	6.3
83.04902	0.8
84.02052	0.3
85.02823	19.8
85.99987	0.6
86.03207	0.2
87.00767	2.4
89.02321	9.4
93.03352	0.6
95.01269	3.3
96.95905	0.5
97.02843	2.4
99.00758	12.0
100.01138	0.4
101.02322	26.6
102.02710	0.4
109.02845	0.4
109.06534	0.2
111.00765	3.0
112.01560	1.1
113.02332	18.3
114.02671	0.3
115.03912	0.3
117.03368	0.2
119.03400	1.5
119.04921	1.0
121.02837	0.3
123.00803	0.3
123.08048	0.3
125.02343	3.3
129.01846	1.8
131.03406	2.0
134.03673	0.7
135.04436	0.8
137.02364	0.7
139.07513	0.2
143.03404	2.4
145.02870	0.7
149.02426	0.3
149.04459	1.0
151.03900	0.3
151.07550	0.5
155.03419	0.4
159.02892	2.6
160.01569	0.3
161.02341	0.5
161.04468	9.9
161.05840	0.5
163.03902	1.2
170.43520	0.2
173.04483	0.5
175.03957	0.9
177.01843	0.8
179.03400	0.4
179.05621	0.3
179.14540	0.2
185.04475	0.3
187.02434	0.2
189.01839	0.3
191.03429	0.3
191.05537	2.2
193.04984	0.5
203.05484	0.3
205.03516	0.8
209.15422	3.3
223.04509	0.6
271.02179	0.2
289.07068	0.2
305.17477	1.5
315.12448	0.2
323.09341	0.3
341.06601	0.4
341.10413	1.1
341.14017	0.4
353.19656	3.3
354.20242	0.3
371.20731	19.7
372.20883	2.0
383.07230	0.3
413.21790	4.6
414.22333	0.5
485.23776	2.4
486.24774	0.3
501.23956	0.4
501.34326	0.4
503.24982	36.8
504.25348	4.7
545.26025	51.5
546.26404	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	545.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
58.99492	0.2
59.01251	13.4
60.18526	0.2
61.38954	0.2
61.98700	0.5
65.03832	1.9
67.01746	0.6
68.99696	0.3
69.03321	0.4
71.01255	6.5
72.01559	0.2
72.99182	0.2
73.02821	5.5
81.03327	0.3
83.01266	2.2
85.02830	1.5
87.00759	0.7
87.04395	0.4
89.02332	1.2
91.05410	11.6
93.03342	4.3
95.01267	0.5
97.02812	0.3
99.00768	0.8
101.02320	5.2
107.04903	1.3
108.02067	0.8
109.02835	12.4
113.02314	1.8
117.06950	0.4
119.03479	0.5
119.04915	5.7
121.02844	13.9
122.03132	0.4
123.04420	0.7
124.01524	0.3
125.02316	0.5
135.04416	100.0
136.01489	0.3
136.04762	4.1
137.02345	0.4
143.03384	0.6
147.04427	2.7
148.05200	0.6
149.04489	0.3
149.05963	0.9
151.03915	1.3
159.04417	0.6
161.02170	0.2
161.04507	0.8
161.05998	3.9
163.03899	0.5
173.04485	1.2
175.07539	1.3
177.05455	0.3
181.12166	0.3
185.05981	0.4
186.06827	0.3
187.07536	0.4
189.09207	0.6
191.05522	2.9
193.08615	0.8
197.11859	0.3
201.09152	11.4
201.10973	0.4
202.09520	0.5
203.07103	0.6
203.10654	0.3
209.06007	0.5
209.11794	0.8
213.09116	0.3
215.07063	0.6
219.10222	11.8
220.10519	0.8
253.09157	0.5
256.07437	0.5
279.08847	0.3
291.19608	0.8
309.20670	1.1
311.12555	0.3
323.12888	5.8
324.13101	0.5
339.10907	0.5
341.13922	25.3
342.14230	2.3
383.14743	0.3
383.24426	0.3
423.16559	0.5
485.18280	1.2
485.30585	0.5
503.18893	1.2
509.25967	1.0
527.28491	0.3
545.20319	13.9
545.29449	1.6
546.20587	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	545.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
56.25115	0.6
57.03313	0.6
59.01254	29.4
61.74016	0.7
62.51604	0.5
65.03835	1.8
67.01761	0.5
69.03350	0.6
70.88358	0.6
70.88702	1.7
71.00890	1.0
71.01254	12.7
72.84668	0.6
72.99170	0.9
73.02822	17.2
79.05407	0.9
83.01263	6.0
85.02819	2.7
89.02312	2.5
91.05414	11.3
93.03343	3.9
96.95930	0.7
97.02844	0.6
99.00767	1.4
101.02326	12.4
105.06998	0.8
107.04924	5.4
109.02838	9.9
113.02309	4.0
119.03439	0.7
119.04929	2.6
121.02846	27.5
124.01511	0.6
125.02322	1.3
131.03342	0.6
131.08475	0.6
135.04417	100.0
136.04779	4.7
137.02354	1.2
140.93173	0.5
142.08708	0.6
143.03384	0.8
147.04422	13.0
149.02332	2.0
149.04486	1.2
149.05930	0.9
150.03192	0.7
151.03966	1.1
161.04517	1.8
163.07556	0.7
173.04510	0.7
175.07573	10.9
183.08081	1.1
185.05972	1.7
186.06749	0.9
187.07576	25.0
188.07904	1.6
189.09198	1.6
191.05513	1.6
191.73172	0.6
192.07843	1.9
193.08615	8.8
201.09149	40.4
202.09476	2.3
205.08643	9.7
206.09067	0.6
210.05557	1.1
213.09219	2.7
219.10252	1.2
221.08133	2.4
267.48181	0.5
292.14307	0.7
323.12894	30.6
324.13239	4.2
324.17334	1.9
341.13904	7.4
342.14346	1.0
344.38303	0.7
374.61719	0.6
409.14990	7.7
485.18329	1.2
503.25009	1.3
545.19330	5.2
545.26788	2.6
546.20288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
56.19024	0.3
57.03335	2.0
58.00462	0.4
59.01252	100.0
60.01591	1.4
60.45664	0.3
62.23922	0.4
69.03321	0.8
70.42241	0.3
70.94598	1.0
71.01256	19.0
72.99194	1.3
73.02818	7.3
74.41319	0.3
83.01259	3.3
83.04907	0.7
85.02821	6.3
87.00740	2.9
87.04381	2.0
89.02309	8.1
91.05410	0.9
93.03355	1.1
94.84383	0.4
95.01256	2.2
97.02834	0.6
97.06470	1.1
99.00768	2.1
99.04369	0.4
101.02327	12.5
101.05984	2.3
105.64928	0.3
107.04897	0.4
109.02838	3.0
111.00758	0.6
111.04443	0.6
111.08124	0.4
113.02331	10.3
119.03428	3.0
119.04913	4.0
120.05334	0.4
121.02834	6.5
122.03160	0.4
123.04456	0.5
125.02308	2.1
131.03416	1.1
133.02852	3.4
135.04420	6.1
137.02402	0.5
137.09705	0.4
143.03383	2.0
147.04437	2.1
149.04422	0.5
159.02907	0.4
161.04489	4.5
163.07573	0.5
167.10707	0.8
169.12305	0.6
171.10298	0.7
175.07545	0.6
176.03966	0.5
179.05675	1.9
187.07626	0.8
189.09189	1.7
191.05528	0.6
197.11789	0.7
199.07550	3.1
201.11276	1.1
203.07108	0.7
204.07890	0.9
205.08701	1.1
207.04573	0.6
207.10272	0.4
209.11794	0.5
217.08673	2.9
219.10159	3.9
220.10666	0.5
223.13391	2.0
224.13788	0.6
267.12363	0.5
269.17456	0.9
315.17963	0.4
321.11298	8.0
321.14749	0.6
322.11719	1.2
339.12344	4.8
339.16092	0.6
339.25394	0.8
340.12802	0.9
340.16754	0.4
371.20648	3.7
389.22003	1.1
395.24518	1.2
413.25363	1.0
431.26273	0.5
446.06686	0.4
464.16077	0.5
465.28787	0.6
481.21796	0.6
483.29410	5.5
484.30078	0.7
490.44400	0.5
499.32959	1.6
501.30606	6.1
502.31296	0.8
525.26904	0.5
543.18109	2.6
543.31750	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	543.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52758	1.9
59.01254	100.0
74.34312	1.9
82.98288	1.7
96.95906	17.4
98.20515	3.9
116.84177	1.8
137.64651	2.1
201.15469	2.1
208.79498	1.9
209.11751	2.5
255.22873	2.4
303.15445	2.6
349.39963	1.9
397.76590	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77172	0.4
55.01751	0.9
57.03316	2.0
58.00477	0.8
59.01253	100.0
60.01587	1.9
61.59454	0.4
61.98696	0.8
69.03334	0.7
71.01256	20.1
72.99191	1.4
73.02821	8.3
83.01270	3.6
83.06041	0.4
85.02820	7.9
87.00757	2.9
87.04405	1.9
88.98682	0.4
89.02319	10.1
91.05399	0.7
93.03338	0.7
95.01253	2.3
96.95914	0.4
97.02859	1.0
97.06485	1.4
99.00745	3.0
101.02325	14.7
102.02626	0.5
111.00779	1.4
112.01528	0.5
113.02332	13.0
119.03382	3.4
119.04910	1.3
121.02866	1.8
125.02352	1.7
125.09615	0.5
131.03407	0.8
133.02921	0.5
135.04425	4.9
143.03391	2.0
149.04510	0.4
159.02879	0.9
161.02414	2.1
161.04465	6.9
167.10724	0.7
171.10168	0.4
177.09212	1.3
179.05595	1.4
191.05685	0.6
195.51585	0.4
195.95728	0.4
203.07169	0.9
213.15086	0.5
218.06888	0.4
221.08015	0.5
227.16576	0.6
235.85509	0.4
249.09892	0.5
315.18204	1.4
317.17307	0.9
318.17603	0.7
321.11435	1.2
339.12427	2.9
339.25616	1.4
343.17728	0.6
371.20639	3.2
380.65134	0.4
389.21979	0.5
395.24316	2.4
413.25519	1.7
428.54169	0.5
459.17813	0.5
465.28989	0.5
483.29724	11.5
484.30179	1.7
499.33051	1.0
501.30740	9.0
502.31195	1.1
542.90204	0.5
543.31592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00605	0.4
55.01754	1.1
57.03316	1.5
58.00463	1.4
59.01251	49.7
60.01598	0.6
60.53913	0.4
65.03827	1.0
69.03327	1.6
69.44623	4.1
71.01254	31.4
72.01597	0.5
72.02040	0.5
72.99191	0.9
73.02821	26.6
77.87141	0.4
81.03360	0.6
83.01259	7.7
83.04890	1.3
85.02823	4.8
87.00767	1.7
87.04388	0.4
89.02318	11.8
91.05386	0.6
93.03336	8.0
95.01269	1.8
95.04928	0.6
97.02860	0.6
97.06464	1.9
99.00756	6.7
99.08030	0.8
101.02325	22.2
106.04138	0.8
107.04944	0.9
109.02814	0.7
109.06465	1.1
110.66927	0.4
111.04427	1.5
113.02338	8.8
117.06983	6.8
119.03474	2.7
119.04918	100.0
119.08550	11.8
120.05205	4.3
121.02856	1.2
123.08086	0.8
125.02322	1.7
125.09617	5.3
127.11176	1.4
129.06984	0.5
131.03395	2.1
133.02841	0.6
133.06483	2.2
135.04440	4.4
135.08055	31.6
136.04768	0.6
136.08363	1.3
143.03409	1.2
145.02881	1.2
147.04382	0.7
149.02417	0.4
149.04446	3.8
157.06494	12.8
158.06793	0.9
161.02322	2.1
161.04465	5.6
163.11305	0.5
171.10185	65.6
172.10555	3.4
175.07568	1.0
177.09106	1.2
179.05505	1.2
185.11807	0.5
187.07550	0.6
191.05542	2.6
191.07037	0.7
197.11725	0.5
199.07739	0.6
201.05504	13.7
201.07289	0.9
201.11234	0.6
202.05887	1.1
203.05484	0.6
209.11780	4.0
215.07169	0.9
219.06587	5.9
219.10237	0.8
221.08203	0.5
225.11397	0.5
235.08212	1.4
245.19135	0.7
252.13806	0.7
253.09259	19.3
254.09711	1.3
261.18597	1.9
271.17014	2.3
279.19568	1.4
289.18091	30.4
290.18350	2.5
307.19150	23.8
308.19470	2.8
321.11307	62.6
322.11670	7.7
323.12759	1.1
339.12262	4.6
339.25424	0.6
381.73901	0.4
407.19128	0.7
423.12772	0.8
483.16476	0.8
483.29837	1.5
501.17731	1.6
501.30786	0.9
525.27081	5.8
526.26978	0.6
543.18726	41.0
544.19000	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	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03315	1.2
58.00456	0.6
59.01254	28.5
67.43568	0.7
69.88847	1.0
69.89255	2.2
71.00888	0.4
71.01254	10.2
71.04887	2.1
72.99201	0.8
73.02815	3.2
80.02552	0.6
81.03330	1.0
83.01245	1.2
83.04906	1.1
85.02825	2.5
87.00743	1.2
89.02325	5.7
93.03329	1.2
95.01254	1.1
95.04910	0.7
97.02829	0.9
98.20577	1.1
99.00771	1.1
101.02323	9.2
106.04082	0.8
107.04942	0.8
109.06477	9.0
111.04410	3.0
111.08047	1.1
113.02365	4.0
117.06949	0.6
119.03426	2.1
119.04920	55.5
119.08549	1.0
120.05259	2.3
121.02840	1.8
121.06456	0.6
123.08077	1.4
125.02315	1.1
125.09614	0.6
127.07529	1.9
130.04132	1.9
135.04404	0.7
137.02298	0.7
137.05872	0.5
137.09625	0.7
138.53857	0.6
142.23521	0.6
143.03397	1.0
143.10683	1.3
145.06517	3.8
147.08043	0.6
149.02376	0.8
149.09612	0.8
149.44914	0.5
151.03850	0.6
151.11188	0.7
161.02309	0.9
161.04507	3.5
161.05637	0.7
162.03113	1.0
163.11156	0.7
167.10703	1.7
171.10194	0.9
179.05577	1.0
179.10709	0.6
180.53186	0.6
185.11665	0.7
189.05501	1.7
191.07057	1.1
195.13855	3.3
201.05516	1.0
204.07773	1.7
207.08128	14.9
207.10005	0.5
208.08408	1.3
217.08652	4.4
219.06656	9.9
219.10178	10.7
220.07028	0.7
227.18158	0.6
235.08427	0.7
235.13510	0.9
237.07687	6.7
245.19154	3.9
249.88684	0.6
253.09262	16.8
254.09541	1.0
271.16913	1.1
287.16498	2.2
289.18109	100.0
290.18457	9.0
307.19092	5.8
308.19699	0.7
309.11353	0.6
321.11316	1.2
339.12378	44.2
339.15979	3.5
340.12793	5.4
340.16406	0.9
483.29849	2.0
501.17566	0.6
501.30881	1.2
525.27173	1.2
543.19165	2.6
555.11212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03326	6.7
58.00466	1.0
59.01253	23.0
69.03329	2.3
69.54674	2.0
69.55104	1.6
71.01254	21.6
71.04890	0.5
72.01582	0.4
72.99173	1.7
73.02821	3.8
80.02543	1.1
81.03312	1.0
83.01263	2.0
83.04904	3.4
84.36239	0.4
85.02826	4.9
87.00757	3.1
89.02316	13.2
91.03888	0.9
93.03326	1.2
95.01265	1.6
95.04897	2.3
97.02828	1.7
97.06469	13.6
97.97143	0.5
98.19790	0.7
99.00757	1.2
99.04383	0.6
101.02322	16.2
106.04118	0.8
107.04926	0.9
107.08577	0.5
108.02017	0.7
109.02834	1.1
109.06494	2.7
111.00761	0.7
111.04395	0.8
111.08031	5.5
113.01614	0.7
113.02331	7.2
113.05957	0.4
119.03422	3.9
119.04932	0.6
121.02887	0.6
121.06454	0.7
122.03583	0.5
123.00812	0.5
123.04417	1.9
123.08018	1.1
125.02327	1.2
125.09613	3.0
127.07503	0.6
127.11201	0.6
131.03447	0.7
133.04964	1.0
133.06528	0.5
134.03600	0.7
135.08028	1.3
137.02347	0.7
137.05963	0.6
137.09618	1.6
138.06760	0.9
143.03358	1.1
145.04979	0.7
145.10095	0.4
147.11664	0.9
149.04454	0.6
149.09644	2.1
151.11209	12.8
152.11501	0.6
153.09108	1.2
153.12766	1.9
155.10701	5.5
157.81929	0.4
160.27811	0.4
161.04495	6.0
161.09602	0.9
163.07599	0.5
163.11215	4.7
165.09024	0.6
165.12769	19.4
166.13185	1.0
167.10686	3.1
167.14325	0.6
168.11398	0.6
169.12225	2.6
171.10159	0.9
173.09660	0.9
174.80780	0.4
177.09142	1.0
177.12778	1.4
179.05533	2.3
179.10722	5.2
181.12277	15.0
182.12579	1.3
183.13858	3.9
187.06204	0.5
191.05652	0.5
191.10721	9.3
191.12483	0.7
191.12813	0.4
191.14334	4.6
192.11137	0.7
192.14668	0.5
192.97975	0.4
195.10225	0.8
197.11771	1.8
199.13399	0.8
205.12325	3.2
207.10294	0.8
207.13847	0.6
209.11784	50.0
210.12112	3.2
211.13351	5.7
212.13704	0.7
215.12851	0.6
217.16019	0.8
224.10463	1.3
225.11237	1.6
226.11839	0.6
227.12846	17.3
227.15154	0.8
227.17874	0.7
228.13205	1.2
235.08221	2.4
235.20694	1.2
239.09198	1.4
245.19087	18.5
245.21657	0.9
246.19382	1.6
247.16974	0.5
250.14143	0.4
251.20163	0.6
253.09265	37.9
254.09613	1.3
261.18613	1.4
263.20160	22.8
264.20581	2.3
271.17078	2.5
278.94772	0.4
279.19684	3.2
287.16629	0.6
289.18091	31.6
290.18417	2.9
301.16629	0.7
307.19144	100.0
308.19501	9.1
309.20755	0.5
445.20795	10.4
446.21136	0.9
460.19601	3.1
462.21033	0.6
543.28027	7.2
544.28534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37668	0.4
51.09356	0.5
55.01750	1.4
57.03313	2.8
58.00466	1.1
59.01250	27.4
65.64068	0.5
69.03325	1.0
69.66368	1.2
69.66798	2.3
71.01252	19.3
72.99181	1.4
73.02817	3.6
75.00748	0.6
80.02550	1.0
80.69221	0.4
81.03327	2.1
83.01257	3.4
83.04900	1.6
85.02839	3.9
87.00730	2.4
89.01757	0.9
89.02317	17.1
91.03904	0.6
93.03321	0.7
95.01279	2.0
95.04902	2.0
97.02826	3.1
97.06477	6.5
98.20677	0.5
99.00755	1.3
101.02323	20.2
102.02695	0.6
106.04102	0.7
107.04884	0.8
108.02054	0.7
109.06475	1.7
110.03619	0.7
111.04390	0.9
113.02328	9.8
113.05983	1.1
119.03387	4.6
119.04868	0.5
119.08526	0.7
121.06458	1.8
123.04431	3.4
123.08043	1.2
125.02319	0.8
125.05940	0.7
125.09629	5.3
133.04977	0.5
135.08046	0.9
137.05981	1.0
137.09608	3.8
138.87708	0.5
141.12752	1.3
142.02617	0.7
143.03398	2.2
149.06053	0.9
151.11163	0.8
159.08109	0.6
161.04462	8.3
161.09668	0.7
163.07582	1.2
163.11189	8.2
165.12775	2.5
171.10159	0.9
173.09695	0.9
175.11200	0.8
177.12711	0.6
179.05547	3.1
179.10735	1.1
181.12209	1.2
185.11778	8.2
189.12740	0.9
191.10732	0.6
191.12651	0.3
191.14330	10.7
193.12177	0.5
207.10228	3.7
209.11768	18.3
209.13785	0.9
210.12120	0.8
211.13371	2.0
217.15933	1.5
219.10167	0.5
225.11264	4.1
226.11989	0.8
227.12788	0.6
235.08231	1.1
237.11282	11.8
238.11635	1.1
245.19073	18.1
246.19299	1.2
247.17001	0.5
253.09270	56.2
254.09596	1.9
263.20117	5.5
264.20676	0.7
271.17047	2.2
281.21283	0.7
289.18094	99.8
290.18454	8.6
307.19147	100.0
308.19507	8.4
325.20068	0.8
357.38055	0.6
449.38840	0.6
543.28131	5.2
544.28265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54292	0.3
55.01755	0.9
57.03316	1.9
58.00467	0.6
59.01250	17.1
65.28452	0.3
69.03333	1.3
70.76337	0.9
71.01254	13.0
71.04883	0.4
72.99181	0.8
73.02815	2.0
75.00742	0.3
80.02540	0.6
81.03336	2.2
83.01250	3.0
83.04898	1.2
85.02821	2.9
87.00750	1.6
89.02312	9.9
90.64663	0.3
91.03895	0.5
93.03334	0.7
94.15350	0.3
95.01254	0.9
95.04932	1.4
97.02837	3.0
97.06465	6.1
99.00756	0.6
101.02320	11.7
103.03917	0.3
106.04111	0.7
107.04884	0.5
108.02058	0.5
109.06482	1.5
110.03621	0.9
111.04424	0.9
111.08025	0.5
113.02331	5.8
113.05930	0.3
119.03395	2.8
119.04935	0.5
119.08542	1.1
121.06474	1.7
121.10101	0.3
123.04410	3.0
123.08018	1.1
125.02319	0.7
125.05965	0.9
125.09614	4.6
127.07570	0.3
131.03374	0.7
133.04953	0.4
135.08037	0.7
137.05978	0.5
137.09616	3.5
137.69075	0.3
141.09073	0.8
141.12752	0.7
141.29030	0.3
142.02660	0.4
143.03400	1.0
147.08081	0.5
149.04463	0.3
149.06007	1.1
149.09593	0.5
151.11223	0.6
153.09073	0.3
160.08885	0.5
161.04475	5.6
161.09650	0.7
163.07599	0.5
163.11195	6.7
163.12500	0.5
165.12730	1.6
171.10196	0.8
174.10410	0.3
175.11200	1.1
177.12753	1.1
179.05545	2.3
179.10704	0.7
181.12257	1.5
181.45261	0.3
185.11765	6.1
188.11989	0.3
189.12799	0.6
191.10678	0.9
191.14343	8.9
192.14703	0.6
193.12265	0.8
195.10312	0.4
197.11758	0.3
207.10216	3.1
207.13661	0.3
209.11761	18.5
210.12117	0.8
211.13350	2.2
215.14381	0.3
217.15958	1.0
219.10246	0.5
225.11246	2.7
226.11964	0.3
227.12804	0.4
227.17967	0.5
235.08192	0.8
237.11284	13.7
238.11707	1.1
243.17561	0.9
245.19077	17.9
246.19499	1.7
247.16940	0.7
253.09256	42.2
254.09615	2.1
263.20132	5.2
264.20438	0.5
271.17050	2.7
279.19531	0.3
281.21204	1.4
289.18082	84.8
290.18433	7.3
307.19135	100.0
308.19489	8.7
325.20154	0.7
338.46985	0.3
399.23761	0.3
445.20764	0.3
474.21371	0.3
525.27026	0.8
543.27979	4.7
544.28583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86857	0.5
57.03307	1.2
59.01255	30.9
66.48494	0.6
69.03313	0.6
69.45987	5.6
71.01260	10.5
71.04892	2.8
72.01573	0.6
73.02834	3.6
73.61711	0.6
80.02571	0.6
81.03355	1.4
83.01303	1.1
83.04880	1.0
85.02815	3.6
87.00745	1.5
89.02325	6.3
93.03349	1.8
95.01251	0.7
95.04900	1.6
97.02811	0.8
97.06501	0.7
98.03635	0.7
99.00740	0.8
101.02331	7.6
106.04139	1.3
108.02058	0.8
109.02852	1.2
109.06475	9.0
111.04401	3.0
111.08014	1.3
113.02342	4.9
116.46187	0.6
119.03408	2.3
119.04922	54.5
120.05260	2.7
121.02849	1.5
123.04441	0.7
123.08090	1.3
125.02323	1.5
127.07590	1.2
130.04114	2.4
135.04449	1.2
143.03337	0.7
145.06511	4.4
149.02377	0.6
149.09674	0.8
154.71278	0.6
157.06453	0.7
161.02350	1.4
161.04517	3.1
162.03105	0.7
167.10719	2.2
171.10236	0.9
171.80479	0.6
173.06120	0.7
173.21199	0.6
175.04033	0.7
175.07619	1.0
179.05496	1.0
179.10757	1.4
189.05475	0.8
191.07068	1.6
195.13875	4.7
199.07742	0.7
201.05409	0.8
204.07808	0.6
206.09450	0.7
207.06445	1.2
207.08134	11.0
207.17426	0.8
217.08733	2.3
219.06610	14.5
219.10219	2.7
220.06966	1.3
237.07668	7.8
245.19072	4.4
249.14943	0.8
253.09274	18.4
254.09746	1.1
271.17126	1.8
287.16483	1.1
289.18112	100.0
290.18484	10.2
307.19214	5.4
321.11411	1.9
339.12384	53.3
340.12753	6.5
483.29654	2.2
484.30466	0.8
499.32880	1.0
501.17657	0.8
501.30609	1.0
525.27472	0.9
530.37463	0.8
543.19238	1.6
568.42969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21399	0.9
55.01759	2.2
56.40474	1.2
57.03299	3.1
58.00475	1.2
59.01252	100.0
60.01599	1.0
61.98687	1.1
69.02292	1.2
69.03316	1.5
69.26605	7.4
69.27028	3.5
71.01255	34.2
71.04884	2.0
72.99168	1.3
73.02816	9.6
79.10561	0.9
81.03333	1.7
83.01270	4.9
83.04875	2.2
85.02821	10.5
87.00755	4.3
87.04380	3.0
89.02322	15.9
91.05412	6.1
93.03343	3.3
95.01266	3.1
95.04900	3.0
97.02839	2.4
97.06469	1.3
99.00742	4.4
101.02328	19.6
108.02049	2.1
109.02833	8.9
109.06467	6.9
111.00753	1.4
111.04409	2.8
113.02329	16.6
118.44282	1.0
119.03439	5.9
119.04947	5.0
119.05704	1.1
119.08608	1.3
121.02854	8.7
121.06476	1.6
125.02321	3.0
125.09602	4.1
127.07483	1.4
127.11195	1.1
131.03438	1.6
135.04417	50.4
135.07977	1.3
136.04745	2.0
137.09627	1.4
137.77693	1.2
139.07492	1.1
141.09177	1.0
143.03358	3.2
145.06589	1.0
149.02271	1.2
149.04445	1.1
159.02844	1.1
159.04420	3.1
161.02312	1.8
161.04465	7.3
163.11168	1.8
167.10739	1.4
171.10173	5.0
175.07610	1.3
179.05502	3.1
179.10699	3.2
179.40247	1.0
181.12253	2.2
185.11662	1.3
195.13815	3.9
197.11761	13.7
197.80885	1.0
199.07581	7.8
201.11276	6.0
207.08092	2.7
207.10210	4.4
209.11751	9.2
217.08670	13.9
219.06445	1.2
225.11322	5.7
227.12909	1.9
233.15393	1.2
241.10739	2.1
245.19022	4.8
253.09254	23.4
287.16492	1.2
289.18100	84.4
290.18524	7.5
307.19049	9.3
315.14490	2.3
317.16260	1.3
339.12347	18.2
339.25339	1.9
340.12534	2.1
369.22815	2.2
395.24298	4.0
483.29712	14.8
484.29932	1.9
499.25452	3.6
499.32501	1.5
501.30753	12.8
502.31305	1.2
513.37256	1.2
525.27075	14.6
526.27527	1.5
543.18713	5.7
543.28290	7.4
544.19104	2.4
544.27264	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	543.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.1
69.28736	2.2
71.01218	0.2
93.03348	1.2
95.15446	0.2
108.02064	1.7
111.50475	0.2
119.04918	100.0
120.05247	3.9
121.02843	3.2
122.03703	0.2
131.32358	0.2
135.04410	0.3
137.02342	0.4
149.02339	0.8
150.03145	1.9
161.05994	0.9
162.03154	1.2
163.03885	0.7
175.03928	1.3
176.08356	5.1
179.07088	2.9
182.02092	0.2
186.06735	0.2
189.05550	0.5
189.09120	0.6
191.07068	0.3
194.02057	0.2
201.09445	0.2
203.07047	0.9
204.07855	16.3
205.08603	5.0
206.09135	0.5
208.07329	0.9
216.07832	0.2
217.08647	5.9
218.09380	2.1
219.10214	89.8
220.10547	5.3
231.10027	0.3
233.11823	1.1
245.11769	0.5
281.08105	0.7
307.13324	0.7
309.14917	0.3
323.12927	0.8
324.13617	0.9
338.15277	0.8
339.15988	32.9
340.12579	0.3
340.16367	4.0
383.32733	0.2
483.20096	0.5
508.67575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04802	0.8
55.10054	0.9
57.03313	1.9
59.01255	33.8
61.98695	4.3
65.03844	1.8
67.01761	0.9
69.03319	1.0
71.01258	14.3
71.59163	1.4
72.99174	1.6
73.02820	11.0
78.94371	0.9
79.78989	0.7
83.01260	2.8
83.04884	1.2
85.02834	5.2
87.00775	2.0
87.04406	1.0
89.02332	6.1
91.05411	1.7
93.03336	3.9
95.01263	1.7
95.04900	1.6
96.95869	1.4
99.00769	4.9
101.02322	10.1
107.04847	1.4
108.02003	2.0
109.02845	21.2
110.52438	0.9
111.08044	1.0
113.02325	8.3
119.03386	2.0
119.04914	8.5
121.02849	84.8
121.14848	0.8
122.03191	3.4
123.04379	4.3
125.02338	2.1
128.61224	0.9
129.06961	1.1
130.04181	1.4
131.03407	0.9
133.02858	35.6
134.03105	0.9
135.04431	9.0
135.08025	1.0
137.02348	1.6
137.05974	1.3
143.03383	1.6
146.03619	3.8
147.04414	5.7
149.04443	2.9
151.03911	1.1
155.03439	0.8
155.77846	0.8
159.04478	0.8
160.05183	1.2
161.02420	1.3
161.04454	3.2
163.07590	5.0
172.05196	1.0
173.05977	1.1
175.07590	12.8
177.09108	1.2
178.02617	2.7
178.61655	0.8
187.07585	35.9
188.07904	0.9
189.09172	2.3
191.05519	3.4
196.03685	1.5
199.07588	32.4
200.07974	1.6
205.08656	11.0
205.12238	1.4
209.05998	1.1
216.07779	1.3
217.08649	19.5
219.10172	3.4
253.05003	4.1
254.05736	1.6
269.08154	3.0
309.11325	18.1
310.11591	1.0
318.10419	1.0
321.11337	40.2
322.11505	3.6
339.12375	100.0
340.12753	8.3
468.56430	0.9
483.16931	1.3
483.29446	1.1
499.32587	0.9
501.23761	0.9
543.18402	9.8
543.24988	1.2
543.31195	4.1
548.00165	0.9
548.08575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
57.03317	0.8
59.01249	24.2
60.01576	0.4
62.97731	0.3
63.53955	0.3
69.54754	3.1
71.01251	6.3
71.04893	1.1
72.99163	0.4
73.02809	2.2
81.03309	0.5
81.20214	0.4
83.01244	1.1
83.04882	0.6
85.02820	1.9
86.03165	0.4
87.00739	0.7
89.02304	4.0
93.03334	1.1
95.04902	0.8
97.02825	0.4
97.06496	0.9
98.03606	0.5
98.20515	0.7
99.00751	0.9
101.02319	5.2
101.80722	0.3
106.04097	2.1
107.04913	0.6
109.02852	0.5
109.06480	3.3
111.00734	0.4
111.04399	1.3
111.08036	0.7
113.02316	4.0
117.03332	0.6
117.07038	0.4
119.04911	85.3
120.05235	3.1
121.02816	1.1
121.06512	0.4
123.08030	0.5
125.02372	1.0
127.07537	0.6
130.04144	3.9
135.04425	1.1
136.01569	0.5
137.02377	0.4
138.03171	0.4
143.03395	0.5
143.04901	0.6
145.02852	0.9
145.06479	5.4
147.08047	1.9
149.02341	0.9
149.04396	0.5
149.05992	0.4
149.09607	0.6
150.03186	0.7
151.03928	0.5
151.11134	0.4
157.06493	1.6
160.05260	0.5
161.02339	1.2
161.04446	2.4
161.05623	0.4
162.03169	0.7
163.03880	0.4
163.07503	0.8
167.10725	1.1
171.10243	0.8
173.05983	0.7
175.03920	0.6
175.07585	1.7
179.05528	0.8
179.06995	0.3
189.05486	1.8
191.05605	0.6
191.07060	3.3
192.07840	1.1
195.13824	1.3
197.11880	0.4
201.05522	1.2
203.07028	0.8
204.07800	0.6
205.08574	0.7
206.09399	0.6
207.06537	1.2
207.08160	10.1
207.10155	1.3
208.08318	0.5
209.11839	0.3
217.08675	2.8
218.09273	0.5
219.06570	22.5
219.09903	3.7
220.06834	0.9
233.08151	0.9
235.13423	0.7
237.05234	0.6
237.07637	12.6
237.09958	0.7
238.08037	0.7
245.19101	1.5
253.09250	6.5
287.16449	0.7
289.18088	44.9
290.18396	2.4
307.19183	2.9
309.11325	1.0
321.11203	1.3
339.12344	100.0
340.12680	8.7
340.16534	0.6
373.27377	0.4
381.13242	1.0
483.16943	0.4
483.29526	2.8
499.32501	0.5
501.18631	1.0
501.30896	1.3
506.78320	0.4
524.25928	0.7
525.26910	1.2
543.18921	2.6
544.19434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.3
57.03332	1.4
57.34693	0.8
58.00470	1.0
59.01251	67.9
61.98683	0.7
65.03848	0.8
69.03328	0.9
69.57246	5.0
71.01252	35.2
71.04901	1.2
72.99179	1.9
73.02819	30.1
75.67368	0.7
79.05418	1.2
81.03344	1.0
83.01246	7.9
83.04900	1.8
85.02830	4.9
87.00759	2.2
89.02312	17.2
89.02835	1.3
93.03328	10.5
95.01268	1.3
97.02835	1.2
97.06483	2.7
97.82217	0.8
98.19884	1.5
99.00761	10.2
101.02319	25.3
102.02694	0.8
107.08589	0.7
109.02859	0.7
111.04357	1.2
111.32961	0.8
111.51678	0.8
113.02345	10.3
117.03248	0.8
117.06984	7.3
119.03413	3.9
119.04915	100.0
119.08558	12.3
120.05196	4.3
120.08887	0.9
121.02807	0.7
121.06473	0.7
125.02309	1.8
125.09593	5.6
127.11235	1.0
131.03398	3.1
133.02849	1.0
133.06483	2.1
135.04427	4.2
135.08051	33.7
143.03371	2.2
145.02872	1.6
149.04430	4.5
151.03781	0.9
155.03410	0.9
157.06497	11.6
161.02351	2.2
161.04454	5.1
171.10178	69.0
172.10484	1.2
179.05539	1.7
185.11778	1.7
191.05565	4.4
196.93401	0.7
201.05504	13.0
202.06007	0.9
203.05551	1.6
203.07217	0.9
209.11763	4.7
215.07176	1.3
219.06587	7.4
227.17935	0.9
235.08122	1.1
235.13300	1.1
237.07536	1.0
253.09261	20.2
257.65329	1.0
261.18512	1.5
271.17044	1.7
279.19632	2.1
289.18082	32.0
292.86630	0.7
307.19159	25.9
321.11310	65.6
321.82010	0.9
322.11542	6.1
323.12924	1.6
339.12369	9.8
339.25195	0.8
483.29355	2.3
501.17004	1.2
501.23358	2.4
501.30392	1.1
525.27148	6.6
543.18573	44.7
543.25330	2.5
544.18848	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	543.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01250	25.1
63.42381	1.4
66.39552	1.5
69.76801	9.4
71.01256	14.5
73.02815	7.1
74.55910	1.4
78.98493	1.3
80.96397	7.1
83.01244	2.6
85.02837	4.4
87.00754	1.7
89.02307	5.1
94.97966	2.6
98.22049	1.6
99.00750	7.9
101.02335	7.9
113.02345	7.8
114.69344	1.6
119.04875	3.8
122.69296	1.5
125.02309	1.6
144.27414	1.4
146.56183	1.4
148.05205	100.0
149.05753	5.0
161.04404	3.8
163.07558	98.4
164.07901	5.3
164.98549	1.6
191.05550	2.6
192.04167	1.5
195.02902	1.5
196.03696	3.1
219.71138	1.3
225.00702	2.5
339.12357	1.8
457.17102	15.1
499.18192	19.0
499.32950	1.9
500.18723	2.5
539.72113	2.0
543.20917	15.4
544.21368	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	543.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	24.4
60.05705	2.0
61.28627	1.5
62.33498	1.5
63.96586	1.5
70.31903	6.0
71.01257	14.5
73.02837	9.8
73.41891	1.5
80.96384	2.8
85.02830	4.2
87.37993	1.6
89.02318	13.5
99.00770	18.5
101.02338	6.2
113.02346	9.5
119.04916	99.2
121.02852	3.3
125.02370	2.3
131.03392	2.2
135.04463	2.5
137.02373	2.3
137.03523	1.7
143.03551	1.9
148.05206	92.6
149.04445	6.1
149.05750	5.1
150.03221	2.2
151.03899	1.7
161.04425	4.1
163.07570	100.0
164.07909	6.6
172.02243	1.6
176.08337	3.1
179.07101	3.8
191.05537	5.4
204.07881	13.7
205.08606	5.5
205.12369	2.3
215.44608	1.7
217.08620	5.8
218.09346	2.4
219.10228	72.4
220.10645	3.4
262.22668	1.8
283.47583	1.7
283.50824	1.8
295.21823	1.7
321.11096	2.6
323.12900	2.5
339.12244	2.5
339.16037	24.1
340.16299	2.5
367.20779	1.6
457.17163	14.4
491.73145	1.8
499.18301	17.5
500.18848	2.1
543.20947	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	541.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53001	0.6
59.01253	100.0
60.01605	1.2
61.98709	1.9
66.01849	0.8
69.49330	4.2
69.49741	1.9
71.01260	6.7
73.02834	2.1
78.97704	0.8
79.28413	0.7
83.01301	1.1
83.04904	1.4
85.02831	2.5
87.00785	2.1
89.02335	3.4
101.02316	5.0
109.02886	1.1
111.04342	0.9
113.02366	3.4
117.06988	2.5
119.03471	0.7
119.04914	16.8
125.09657	1.3
130.04175	1.4
133.02847	5.2
135.08110	2.4
154.21367	0.8
161.04530	2.1
165.05658	0.8
173.06085	1.4
187.50536	0.7
203.70023	0.8
217.05023	4.5
221.08209	1.7
235.06140	3.3
246.50835	0.7
253.09351	1.2
287.16626	2.6
305.17633	3.8
337.10797	21.3
338.11261	3.2
481.28387	2.9
499.28885	1.0
523.26044	2.0
541.17645	1.3
541.30878	1.4
542.17822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62218	2.3
70.89031	2.2
71.56100	2.5
71.56478	3.9
72.99149	2.7
75.18433	2.0
78.55606	2.0
95.04910	2.2
98.02354	4.8
103.86189	2.1
110.02343	8.0
112.03934	2.9
112.07589	2.8
114.05502	41.0
136.03963	2.6
138.05501	6.8
154.05008	7.4
156.06560	28.8
156.75810	2.1
182.04558	14.3
200.05577	100.0
201.05963	3.9
304.43860	2.2
306.60855	2.6
389.55981	2.2
453.50305	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23642	0.4
55.01767	0.9
55.40302	0.5
57.03317	1.7
59.01252	100.0
61.98697	1.0
69.03315	0.6
69.82590	0.6
71.01255	13.0
72.99198	0.9
73.02814	5.8
75.00768	0.5
80.91586	0.6
83.01266	2.3
85.02827	6.9
85.03298	0.7
87.00750	1.3
89.02316	5.0
93.03339	0.8
95.01271	1.3
97.02859	0.9
98.20674	0.9
99.00761	2.5
101.02326	11.0
109.06529	0.6
111.08072	1.0
113.02338	7.3
119.03421	2.0
119.77182	0.5
121.02848	6.3
123.04441	0.6
123.08047	0.5
125.02372	1.4
131.03473	0.8
133.02850	0.8
135.04353	1.1
139.07619	0.5
143.03441	0.9
153.09190	0.7
159.02931	0.5
161.04439	3.0
178.20702	0.5
181.86139	0.5
188.57156	0.5
191.05707	0.8
217.06624	1.7
239.07127	0.7
243.06870	0.5
289.07370	0.6
289.10773	0.6
289.16730	0.9
305.17859	0.6
307.17627	13.3
307.21103	0.9
308.18103	0.9
317.17139	2.4
349.18649	4.1
373.02802	0.7
379.19473	1.0
386.86829	0.5
451.23825	0.7
455.19287	1.1
497.20496	2.3
497.31177	1.0
541.19403	0.9
541.27454	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	541.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
57.03314	0.2
58.00461	0.3
59.01250	18.6
60.01582	0.2
61.98678	0.2
63.49962	0.1
69.03314	0.3
69.29649	1.5
71.01254	6.4
72.99168	0.4
73.02822	5.1
77.03834	0.2
81.57227	0.1
83.01260	1.0
83.04897	5.3
85.02827	1.5
87.00797	0.3
89.02316	6.1
90.02688	0.2
93.03329	0.3
95.01277	0.2
97.02844	1.0
97.03381	0.1
99.00758	10.6
100.01141	0.2
101.02320	4.2
107.04945	0.2
113.02330	2.2
116.92754	0.2
119.03388	0.9
121.02844	100.0
122.03180	3.3
123.04399	0.4
125.02360	0.8
125.05985	0.4
131.03406	1.6
143.03398	0.6
148.05200	0.6
149.04478	2.5
149.05879	0.2
155.03391	0.3
159.02921	0.1
161.04456	2.0
163.07576	0.7
167.07028	0.2
191.05548	2.8
192.05878	0.2
203.05534	1.7
211.13293	0.3
212.13710	0.2
213.13933	0.2
215.09210	0.2
226.80341	0.2
227.09229	0.3
245.10249	0.7
257.10312	1.5
287.11365	0.9
299.11359	0.7
357.07837	0.2
359.13467	0.4
377.14523	6.5
378.14978	0.7
391.12186	0.2
419.15567	13.9
420.15988	1.3
433.13257	0.2
439.16135	0.2
499.17734	0.3
541.19116	0.2
541.26544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09148	0.7
52.49708	0.6
57.03306	1.3
57.15684	0.6
58.00467	0.7
59.01252	44.3
61.98710	1.4
64.76586	0.6
69.03318	0.7
69.52776	2.2
69.53198	3.0
71.00891	1.2
71.01256	16.4
72.99184	2.0
73.02825	3.0
73.74715	0.6
83.01267	1.4
83.04892	3.5
85.02824	10.3
87.00768	1.5
89.02316	20.1
93.03350	1.4
95.01263	1.4
97.02817	1.9
98.19766	0.9
99.00774	4.7
100.49794	0.6
101.02328	8.2
109.02844	1.2
111.04475	0.8
113.02328	20.5
119.03431	1.6
119.04926	1.1
121.02843	100.0
122.03182	3.1
123.04377	1.0
125.02342	1.0
127.03838	0.8
129.98056	0.6
131.03389	3.2
135.04399	0.8
135.08054	0.8
137.02377	2.8
143.03407	1.8
148.05199	13.8
149.04466	7.7
149.05530	1.1
155.95877	0.7
161.04495	5.4
163.07553	14.2
167.03374	1.3
172.90063	0.6
173.04398	0.8
191.05598	1.9
196.03726	1.0
211.13344	1.5
215.05554	1.2
247.96840	0.6
275.07492	0.8
287.16690	1.1
305.17657	1.4
359.13461	3.3
377.14511	13.8
378.14752	1.2
439.16180	3.2
481.17276	0.7
499.18188	3.6
540.33569	1.8
541.26489	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	540.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	36.8
60.01604	3.3
69.72720	18.8
71.01254	18.6
73.02832	5.5
74.19874	3.0
75.00753	3.8
83.01254	5.3
83.55791	2.7
85.02836	9.5
88.98689	12.7
89.02325	13.8
93.03345	3.3
98.20529	5.6
99.00753	17.9
101.02324	6.6
102.02663	3.0
104.43354	2.8
106.06525	4.5
109.02792	6.6
113.02347	6.0
121.05231	11.3
122.06041	18.4
138.05533	8.1
146.06059	18.0
148.51773	3.5
149.04414	5.0
149.06020	4.2
151.03975	3.5
152.07085	24.5
158.28065	3.0
160.03914	7.1
161.04411	5.5
177.01839	4.0
189.01788	6.4
190.02695	3.8
191.05551	6.3
192.06572	23.0
200.81905	3.2
201.05482	3.6
210.07613	4.2
217.01372	6.9
226.12288	5.6
227.08229	14.3
241.09845	15.3
242.10591	3.9
253.09831	8.9
255.11441	14.9
267.11194	5.6
268.12134	10.7
269.12903	13.1
300.11102	16.3
322.12973	7.2
325.11899	6.8
325.97495	3.6
341.06723	21.8
345.89124	3.3
349.08963	3.2
357.14581	14.2
364.13599	4.8
392.19824	16.0
436.18777	100.0
437.19092	12.2
437.34982	3.7
451.10403	14.0
454.17444	4.3
464.18130	6.1
478.19894	7.4
496.20929	50.9
497.21347	6.2
508.16922	8.0
539.34003	5.5
541.19312	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	540.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	21.9
61.98719	3.5
67.41737	1.3
71.01256	10.0
73.02829	4.4
79.43758	1.5
80.50307	1.5
85.02815	5.2
89.02306	5.6
93.03355	1.6
96.95922	2.5
99.00750	5.1
101.02319	5.8
113.02341	5.4
118.06519	2.1
121.05216	9.9
122.06001	11.0
123.06812	2.8
134.03488	1.6
134.05991	1.5
135.04404	2.0
146.06004	13.2
149.04382	2.3
151.03915	2.9
152.07098	5.6
160.03976	2.1
161.04463	3.1
162.05568	1.4
168.06618	1.9
176.03531	1.5
181.60963	2.1
185.27657	1.5
191.05547	4.0
192.06613	2.4
196.03662	2.1
212.10725	2.2
215.10042	1.6
225.10286	4.0
226.07471	2.0
227.08183	12.7
241.09811	18.0
242.10420	4.5
250.99178	1.6
253.09862	6.3
254.10498	1.9
255.11313	12.2
267.11414	4.8
268.12228	15.9
269.12958	13.0
270.13754	1.6
279.11374	1.8
295.10629	1.8
300.11197	18.0
302.12592	2.2
314.12241	1.6
392.19864	13.6
393.20074	3.3
418.17676	3.2
436.18753	100.0
437.18921	12.4
454.20221	2.2
464.17834	1.8
496.20914	34.5
497.21078	5.3
505.26688	28.1
508.17426	3.5
536.32318	1.8
541.24780	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	540.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22887	2.0
59.01251	7.7
65.78274	2.1
69.64932	9.3
69.65352	7.2
80.87202	1.9
84.28036	2.2
94.02866	6.8
98.19883	3.4
108.02022	17.3
109.02850	2.4
133.02846	4.5
134.82365	2.8
183.04446	6.3
200.04735	67.3
201.05099	4.4
230.30815	2.2
241.08719	3.9
336.12430	100.0
337.12625	8.8
379.18918	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	540.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	23.4
61.98685	7.5
65.89968	3.4
66.46889	2.7
70.93982	7.9
71.01253	4.7
85.02843	4.6
93.01054	3.0
101.02252	3.0
108.02065	14.6
130.04196	3.2
131.76851	3.2
133.22321	2.8
183.04456	9.5
185.05937	4.4
196.06937	2.8
200.04732	79.6
201.04997	5.4
205.15862	10.3
216.18677	3.1
226.36243	2.7
284.81650	3.3
336.12424	100.0
337.12601	8.5
369.83057	3.2
379.19345	6.7
425.38660	3.9
468.53543	3.4
541.27509	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	540.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14550	1.1
59.01253	20.7
61.98695	5.2
65.37170	1.0
69.34306	8.6
69.34718	2.7
71.01252	8.9
71.75394	1.1
72.99162	2.0
73.02816	2.6
73.92540	1.2
75.00735	1.9
75.26594	1.0
85.02824	4.5
89.02316	5.7
93.03349	2.1
96.95886	2.0
99.00804	1.6
101.02314	5.9
105.38795	1.2
108.02042	1.5
108.04417	1.6
108.78796	1.2
113.02292	2.6
118.06488	3.8
121.02840	1.5
121.05230	10.7
122.06008	6.5
123.06836	2.7
125.02332	1.3
128.03430	1.6
134.06044	1.4
137.02374	1.6
146.06024	14.8
149.04417	1.6
150.03191	1.5
151.03966	1.6
161.02376	1.2
161.04399	1.2
163.03893	1.2
173.04630	1.3
176.03445	2.7
179.05560	1.8
190.02670	1.3
191.05621	1.9
202.28688	1.4
209.11935	1.4
212.07187	1.4
212.10831	1.5
218.62840	1.1
225.10391	1.8
226.07277	1.4
226.12407	2.6
227.08218	11.5
241.09750	12.3
242.10538	2.8
253.09660	5.4
255.11388	8.8
267.11322	5.7
268.12125	15.1
269.12915	10.1
270.13617	2.3
300.11121	15.3
301.11548	1.8
302.12585	2.0
338.47113	1.3
364.16647	1.9
377.28900	5.1
378.29266	2.6
392.19843	17.5
393.19876	2.6
418.17752	3.7
436.18756	100.0
437.19064	10.2
496.20944	8.1
503.25000	1.7
504.25360	2.3
539.34442	8.3
540.34735	6.0
546.35217	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	539.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.9
59.01252	21.1
61.98695	2.5
63.03723	0.6
69.03326	1.8
69.71957	1.9
69.72385	2.8
71.01258	6.3
72.99177	0.8
73.02805	2.7
80.96420	1.4
83.04908	1.1
85.02836	2.1
87.00755	1.4
89.02317	4.7
93.03308	0.9
96.95872	1.1
97.02820	1.0
98.05888	0.8
99.00748	1.1
101.02328	5.8
108.02057	2.5
108.15729	0.8
113.02323	3.7
119.03384	2.0
119.04857	1.6
123.04401	1.0
125.02346	2.8
131.74710	0.7
135.00800	0.9
135.04433	2.0
137.02292	1.0
150.03087	0.8
151.00262	0.9
151.03908	1.6
152.01036	3.3
152.71220	0.8
152.80200	0.9
154.01625	1.2
161.02235	0.7
161.04474	2.2
164.25597	0.7
179.05562	1.6
183.13887	5.5
193.12268	1.9
203.21069	0.7
209.11768	1.0
211.13347	100.0
212.13730	4.9
243.06471	0.8
244.06935	1.2
245.07324	1.0
253.09273	12.2
335.18387	0.9
341.13806	1.7
372.24924	0.7
431.11038	3.8
447.22513	6.7
448.22668	1.2
539.21906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28691	1.8
59.01252	20.6
60.99185	2.0
61.98709	2.6
71.01246	10.0
71.58375	2.8
73.02824	3.3
85.02831	5.1
88.98690	14.0
89.02328	8.8
93.03307	4.1
96.95879	2.8
97.95815	2.1
99.00768	8.0
101.02339	6.2
106.06512	2.9
108.02026	3.1
113.02299	2.9
118.06519	2.8
119.03389	2.8
121.05266	10.8
122.05994	11.6
123.06760	2.2
125.02322	2.6
137.02345	2.8
138.05540	4.4
146.05981	15.4
151.03931	3.4
152.07045	11.0
178.05006	2.7
184.79126	2.1
190.02777	2.2
191.05563	4.3
192.06641	7.5
196.06039	3.0
201.05432	2.1
210.07608	3.6
212.10768	2.8
217.01279	4.2
226.07491	2.4
227.08066	10.3
239.08243	2.3
241.09854	10.6
242.10503	4.9
251.24760	2.1
253.09821	6.4
253.13368	5.4
255.11400	12.2
267.11475	5.4
268.12180	11.5
269.12967	12.9
270.13425	4.2
281.12613	2.2
297.12466	2.8
300.11090	11.8
304.11737	2.6
312.15015	3.0
322.13010	3.6
325.11984	3.5
341.06726	10.5
357.14590	8.3
392.19818	15.0
418.17819	2.2
420.19757	2.5
432.42227	2.0
436.18774	100.0
437.19174	10.4
451.10236	6.6
454.17068	3.5
464.18033	3.8
466.20084	2.7
478.19806	10.2
496.20996	38.9
497.21182	6.0
498.73535	2.2
508.17529	4.7
540.34192	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30685	0.2
55.01754	0.6
57.03325	1.0
58.00470	0.6
59.01253	13.5
69.03323	0.4
69.25835	2.0
69.26260	0.7
71.01257	9.5
71.27916	0.2
72.99176	0.8
73.02824	1.4
83.01247	1.0
85.02825	3.5
87.00729	0.7
87.04441	0.3
89.02321	5.4
95.01272	0.7
96.80158	0.2
97.06469	0.3
98.19827	0.5
99.00761	0.5
101.02328	5.5
111.07988	0.4
113.02347	2.6
119.03388	1.0
121.02814	0.4
123.04405	0.3
125.02332	0.9
141.12772	0.4
151.25665	0.2
157.12248	0.6
161.04466	0.3
169.12271	0.5
185.11739	1.1
191.05557	0.4
215.12810	0.6
311.22293	0.5
327.25540	0.4
329.23148	1.5
339.25369	0.6
355.24890	0.4
357.26495	8.4
358.26740	0.9
373.26004	0.6
375.27505	21.2
376.27841	2.4
433.45010	0.3
519.31805	1.6
537.32800	100.0
538.33167	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	537.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39782	3.5
57.10689	3.6
59.01253	100.0
65.17245	3.6
71.51038	3.3
71.58237	7.2
75.25847	3.2
78.95761	5.0
87.84894	3.5
96.95899	4.3
139.25066	3.5
162.06779	32.3
177.09135	37.1
218.99359	3.8
301.12103	3.4
304.21136	3.5
477.35782	6.6
490.14420	3.8
537.31628	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	539.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01253	18.2
60.01603	0.6
61.98695	1.2
70.92691	0.7
70.93027	1.1
71.01245	5.0
71.32521	0.5
73.02827	2.5
74.87175	0.5
78.81152	0.5
83.01263	1.3
83.04909	0.8
85.02834	1.9
87.00761	0.8
89.02317	3.2
96.95913	0.9
101.02340	4.7
109.06447	0.6
113.02335	1.8
119.03378	1.6
123.04381	0.6
125.02353	1.1
135.04414	1.3
137.02293	1.2
148.05188	1.1
149.02370	0.5
151.03947	1.2
161.04453	1.3
179.03389	0.6
179.05563	0.8
183.13835	5.0
184.97766	0.6
189.75349	0.6
191.05571	0.9
193.12296	2.0
196.03659	0.8
203.10724	7.7
210.90746	0.5
211.13345	100.0
212.13681	5.9
222.93854	0.5
235.08070	0.8
253.09280	12.2
335.18680	0.7
377.28110	0.5
402.70908	0.6
447.22385	6.1
495.20102	1.0
539.19830	0.5
539.24908	1.0
539.33191	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	537.2554
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
55.01764	1.9
57.03302	2.6
58.00468	1.6
59.01252	40.8
59.08272	1.5
68.32402	1.4
71.01257	37.0
73.02831	11.6
83.01261	2.2
85.02840	11.1
87.00726	2.3
89.02323	40.1
95.01254	3.0
97.02824	2.5
99.00768	21.7
99.04392	2.3
101.02325	25.2
105.26157	1.6
113.02335	18.1
119.03395	11.3
125.09613	1.5
127.12020	1.5
131.03384	2.7
137.09659	2.2
138.06813	1.7
141.09120	4.0
143.03397	2.0
149.04465	2.6
153.09138	5.8
159.90045	1.3
161.04503	6.8
165.05493	1.5
165.09122	5.8
179.05429	2.0
191.05504	4.2
193.05017	2.6
205.12337	1.9
207.13916	4.9
225.15047	6.7
241.14491	3.6
243.15993	36.1
244.16460	4.1
259.12271	1.6
330.09076	1.4
393.78601	1.4
405.21286	23.2
406.21396	2.5
470.23801	2.0
537.25537	100.0
538.25739	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	537.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
58.00471	2.5
59.01249	54.5
59.37774	1.2
60.89221	1.0
69.25106	9.8
69.25510	3.2
71.01250	49.5
72.99179	4.1
73.02820	12.1
73.54256	1.1
81.37982	1.3
83.01250	2.8
84.46271	1.2
85.02829	13.7
87.00735	1.5
89.02316	69.4
90.02666	1.5
95.01266	4.2
96.95867	1.5
97.02827	2.5
98.19754	2.3
99.00760	34.2
101.02322	36.3
101.05945	1.5
113.02334	18.8
119.03392	10.5
119.51421	1.2
119.52439	1.1
120.35527	1.2
121.02865	1.5
123.08002	1.9
125.02354	4.1
126.68172	1.3
131.03401	10.9
134.03612	1.6
138.06783	3.6
141.09105	2.7
143.03413	2.7
149.04462	40.8
153.09114	6.2
161.04456	9.5
178.02548	1.2
179.05525	2.5
181.12140	1.3
185.14688	1.2
191.05568	11.4
193.05019	3.0
195.13834	1.8
199.16283	1.3
221.06578	3.6
233.06635	2.9
243.16037	8.1
251.07648	3.4
281.08844	1.7
289.07059	1.9
293.08707	1.3
405.21255	19.8
406.21863	3.4
468.37106	1.6
489.33182	1.3
537.25519	100.0
538.25897	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	537.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07459	1.3
55.01753	1.2
57.03324	2.6
58.00467	2.0
59.01255	25.4
59.88559	1.2
68.73840	0.9
69.03330	1.0
71.01254	11.4
72.99157	1.6
73.02826	2.7
75.00764	1.2
77.23617	1.3
80.63385	1.0
83.01260	2.4
85.02809	5.1
87.00729	2.3
87.04388	1.5
89.02309	5.9
93.03349	2.1
98.20560	3.0
99.00754	1.9
101.02328	10.3
106.14512	1.1
108.02063	5.0
109.02857	1.6
113.02322	6.0
121.02840	4.8
123.04432	1.7
125.02306	2.1
133.02872	1.4
135.04443	2.6
137.02362	3.1
149.05952	1.2
151.03925	2.5
161.02380	1.6
161.04509	3.3
163.07509	2.0
173.04544	1.8
179.03407	1.2
185.11792	3.4
191.05582	4.2
196.03767	1.8
222.00525	1.0
244.09828	1.4
251.20517	1.1
327.25641	1.2
329.23376	1.9
337.68781	1.1
345.13577	2.0
357.26459	16.6
358.26941	2.5
360.15659	1.4
373.26013	1.9
375.18311	6.7
375.27509	100.0
376.27811	9.5
377.15088	1.2
389.29001	4.5
417.28503	2.6
429.28525	1.2
513.26575	1.2
537.32819	50.3
538.20172	2.2
538.32928	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	537.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29838	1.3
55.05684	1.4
57.03329	3.8
58.00480	1.9
59.01255	100.0
61.98710	2.6
71.01258	27.7
71.58015	2.4
71.58445	2.1
72.99184	2.8
73.02820	8.5
83.01264	4.6
84.47231	1.9
85.02813	12.6
87.00744	3.3
87.04427	1.6
89.02314	22.4
93.03346	4.2
95.01272	3.4
96.95892	3.5
99.00769	13.7
101.02337	19.5
106.04137	3.3
107.04893	1.8
109.02863	2.6
113.02344	13.7
119.03399	5.2
119.04926	1.8
121.02835	4.3
122.60291	1.7
123.04363	2.6
125.02353	3.6
126.10942	1.5
131.03456	2.3
133.02840	1.6
135.04428	7.1
135.08000	1.7
137.02350	4.3
147.08046	5.6
149.04485	14.6
149.05983	84.7
150.06389	2.5
150.83812	1.6
151.03905	4.3
158.90857	1.8
159.02837	2.6
161.02322	4.7
161.04460	22.7
162.02708	1.9
165.05453	1.7
165.09145	5.3
177.05385	1.8
179.03465	2.8
191.05553	10.7
191.10677	7.6
195.06577	6.0
196.03644	2.0
201.05627	1.6
233.06616	3.7
293.08905	1.7
297.14975	3.1
311.11166	4.8
315.15988	14.1
317.10355	2.5
333.13470	8.6
375.27481	5.3
410.34985	1.5
495.24481	2.2
519.13696	2.2
537.14966	7.6
537.25763	4.9
537.33594	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	537.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.0
59.01253	100.0
69.42588	6.4
69.42995	24.2
71.01260	53.6
72.99187	9.3
73.02811	19.2
83.01254	8.1
85.02831	22.1
87.00775	5.9
89.02319	38.0
93.03323	8.2
96.95911	5.8
96.96894	3.3
97.02857	4.7
99.00756	23.7
101.02319	27.5
103.92033	4.1
106.04103	4.6
109.02840	9.5
111.00783	6.8
113.02332	23.8
119.03400	11.0
119.04946	4.2
121.02872	6.1
123.00798	3.4
123.04424	7.6
125.02367	7.4
135.04437	18.4
137.02347	25.5
138.05530	8.9
143.03351	4.6
147.08128	4.0
149.02452	3.8
149.04483	12.3
149.06000	17.4
150.03159	3.4
151.03894	21.9
152.04683	18.5
161.04457	8.0
162.74829	3.7
164.03421	21.8
167.03378	6.4
173.04514	4.2
177.05499	5.5
178.02582	5.4
181.04918	4.0
191.05536	18.3
191.10637	3.5
193.04868	5.4
194.78859	3.4
195.06601	10.0
196.03673	52.0
211.06012	26.3
230.70706	3.4
276.20361	3.7
296.89279	3.7
315.01419	7.8
315.15997	7.9
318.11002	5.9
332.12326	4.5
333.13449	19.0
345.13245	4.7
358.09247	4.8
373.11420	37.7
375.27487	8.7
463.15912	4.8
493.22729	8.7
537.31616	19.8
538.15814	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62069	0.2
55.01752	0.9
57.03327	0.8
58.00478	0.3
59.01252	11.6
61.98703	0.8
69.03329	0.3
71.01256	15.5
71.59145	0.5
72.01590	0.3
72.99171	0.8
73.02818	6.2
74.36740	0.3
75.00744	4.3
83.01254	2.3
85.02827	7.0
87.00767	0.7
89.02321	5.4
93.03354	0.5
95.01279	1.4
97.02827	0.7
99.00757	5.3
101.02324	8.7
108.02052	55.3
109.02371	1.7
111.00784	0.5
113.02330	6.9
115.12786	0.3
119.03391	0.5
125.02348	0.9
129.01785	0.3
131.03378	0.7
132.07999	0.3
135.04367	0.3
137.02376	0.3
143.03374	0.8
149.04510	0.5
149.05896	0.3
157.06494	1.3
159.02916	1.4
161.04474	9.2
162.04884	0.4
164.03403	0.3
184.05240	0.9
185.06003	100.0
186.06351	7.3
191.05588	0.8
205.03467	0.5
213.70435	0.3
219.08725	1.9
244.82846	0.3
351.12933	4.7
352.13525	0.5
356.13504	0.3
363.24341	0.3
405.15546	5.4
406.15756	0.8
495.28036	1.0
537.19794	19.2
537.28790	1.7
538.20081	3.0
547.27551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.6
57.03321	8.4
57.09794	1.3
58.00483	2.9
59.01252	45.6
71.01255	51.2
71.58650	2.3
72.01601	1.8
72.99194	3.6
73.02828	19.9
75.00748	1.7
83.01254	3.9
85.02823	15.0
87.00767	2.4
89.02320	43.9
89.03183	1.7
90.02647	2.3
93.03331	4.8
95.01277	4.5
96.95892	7.8
97.02843	1.9
99.00757	23.4
99.04400	1.6
101.02324	27.2
109.02855	3.4
113.02342	21.8
114.02644	1.8
119.03400	14.3
119.04929	3.6
121.02856	18.1
122.03664	9.8
123.04440	3.1
125.02351	29.7
126.02655	2.2
131.03394	4.0
133.02873	3.1
133.04903	1.7
134.03641	48.7
135.04539	3.1
136.01581	2.5
137.02354	9.0
139.00328	1.8
139.07562	2.7
140.07875	2.3
143.03389	3.2
147.02888	12.8
148.01561	2.6
149.02356	46.0
149.04472	6.3
149.05969	18.4
150.03130	75.6
151.03923	7.2
161.04457	12.7
163.03871	2.4
164.04694	9.5
165.05493	87.4
166.05862	1.9
168.70810	1.6
171.48053	1.3
178.02640	25.6
179.03317	3.2
179.05579	10.4
179.07065	2.1
180.04228	5.7
191.05522	5.7
193.04996	100.0
194.05334	4.7
195.06567	56.8
196.06918	3.9
197.11679	4.0
207.02983	3.5
239.07208	3.0
241.14407	2.8
242.14726	4.2
243.06683	6.5
243.15964	6.2
247.29794	1.6
250.06276	3.0
267.06598	3.2
282.09033	9.6
283.09714	3.5
297.07776	1.7
312.10065	7.9
327.12375	47.7
328.12805	2.3
341.10294	56.5
342.10648	5.6
389.12436	16.9
390.12827	2.7
403.19852	1.6
404.19888	2.5
405.21078	8.3
411.09357	2.2
489.17911	3.1
536.23840	11.8
537.16162	6.9
537.25549	49.6
538.23871	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	537.1613
Annotation	Fraxamoside
Peak:m/z	Relative Intensity
58.00460	0.5
58.44303	0.2
59.01251	10.2
63.87715	0.2
65.00184	0.7
65.03832	0.3
66.92927	0.2
67.01744	0.5
68.99679	0.3
69.03329	1.4
69.24704	3.0
71.01251	7.1
72.99164	0.4
73.02802	0.7
80.02549	0.6
81.03349	1.5
83.01253	0.3
85.02816	0.9
89.02318	8.7
90.02676	0.3
91.01766	17.2
92.02113	0.6
93.03336	2.0
95.01264	1.3
97.02817	1.5
99.00748	0.8
101.02329	1.0
107.01264	1.0
107.04918	0.7
108.02052	22.4
109.01601	0.6
109.02855	5.9
113.02325	0.9
121.02826	1.3
121.20924	0.3
123.00770	8.3
124.01609	1.2
125.02323	0.7
131.03416	0.6
133.02870	0.4
135.00772	17.8
135.04372	0.3
136.01294	0.3
137.02342	3.8
149.02367	1.3
149.04443	0.4
151.00243	1.9
152.01053	23.7
153.01625	1.0
161.04378	0.4
177.01834	1.3
189.17264	0.2
191.05495	0.7
197.06018	1.7
199.07587	0.6
201.05544	0.4
210.74252	0.2
213.05563	1.5
215.07092	1.1
225.05452	0.5
241.05064	0.2
242.05801	3.1
243.06587	100.0
244.06952	5.5
244.09694	0.8
279.05209	0.3
279.99734	0.3
285.07938	0.3
309.07779	0.3
315.07162	0.3
387.10883	1.5
405.11868	14.5
406.12222	1.2
429.10333	4.1
430.10464	0.6
466.26740	0.3
470.15448	0.3
495.27936	0.4
525.40338	0.3
537.16107	58.5
538.16376	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	537.1615
Annotation	Bipinnatin L
Peak:m/z	Relative Intensity
51.98835	0.1
57.03346	0.1
58.00468	0.1
58.99607	0.1
59.01249	6.2
65.00172	0.1
70.98764	0.2
70.99093	0.3
71.01251	3.5
72.99168	0.4
73.02820	2.2
75.00782	0.1
77.22285	0.1
83.01256	0.9
83.04960	0.1
85.02817	1.3
87.00761	0.2
89.02316	1.7
91.01766	1.9
93.03334	20.8
93.89102	0.1
94.03681	0.5
95.01273	0.3
96.95840	0.1
97.02836	0.3
99.00757	3.4
100.05512	0.1
101.02322	2.6
108.02051	22.8
109.02869	4.3
113.02323	3.1
113.03064	0.2
119.03387	0.5
121.02802	0.2
123.04401	0.1
125.02341	0.6
131.03404	0.5
135.04398	0.2
137.02338	0.2
143.03380	0.3
145.06487	0.4
147.04395	0.1
149.02374	0.2
149.04417	0.4
149.05978	0.7
150.03149	0.1
151.03876	0.2
152.04639	0.1
157.06467	0.4
161.04462	0.8
165.05434	0.2
170.15482	0.1
173.05962	0.7
177.36336	0.1
183.04434	0.3
191.05548	0.7
193.05009	0.1
200.04694	0.2
201.05502	100.0
202.05833	5.9
202.07356	0.1
203.05580	0.2
211.06044	0.2
220.98796	0.1
226.89629	0.1
239.11824	0.2
243.06595	0.3
275.07715	0.1
322.65079	0.1
345.09760	0.2
363.10858	0.5
375.27451	0.5
405.12000	0.7
477.14001	2.7
478.14276	0.4
495.07468	0.2
495.15063	10.8
496.15497	1.3
537.16095	14.3
537.33167	1.3
538.16412	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
62.28647	0.7
71.48155	0.7
78.95789	1.0
83.25434	0.7
87.69701	0.7
91.19969	0.7
96.95934	0.9
111.59714	0.7
121.11401	0.7
139.41699	0.8
151.61566	0.8
152.99490	0.7
160.63206	1.0
165.44333	0.8
202.94168	0.9
248.46057	0.8
384.56439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09227	0.6
55.01754	0.8
57.03309	0.9
58.00458	1.0
59.01250	21.8
61.98677	1.0
63.95132	0.8
68.99687	0.6
69.03330	19.2
69.24968	8.8
71.01252	17.7
72.59262	0.9
72.99169	1.5
73.02819	7.0
73.42637	0.7
75.00737	1.2
78.95782	0.9
81.03343	1.5
83.01264	3.3
83.01928	0.8
85.02821	11.4
87.00749	2.1
87.57353	0.6
88.98689	1.0
89.02321	7.5
91.01781	2.0
93.03284	1.0
95.01270	4.6
97.02828	12.6
99.00762	10.8
101.02316	8.1
107.01271	9.0
107.04900	0.6
108.02058	44.3
108.97157	0.6
109.02873	8.8
111.00814	0.9
113.02328	8.2
121.02838	4.8
123.00765	3.0
123.04435	0.7
125.02341	31.5
126.02738	0.8
131.03427	1.3
133.02847	0.7
134.03647	1.9
135.00778	32.3
135.04382	2.2
137.02338	4.8
143.03401	1.2
145.02872	0.9
147.04362	1.0
151.00278	11.7
151.03937	1.0
152.01060	100.0
153.01596	4.4
157.12253	1.8
160.01607	1.4
161.02374	1.9
161.04457	4.2
162.03104	0.7
163.03926	2.9
165.05400	0.9
175.03954	1.4
177.01822	2.3
191.05515	2.8
197.06078	2.2
201.05490	0.8
201.32469	0.7
242.05832	8.1
243.06604	65.9
244.06961	4.8
250.59421	0.8
269.02991	0.8
274.97516	0.7
315.07172	5.2
357.26349	1.3
363.23914	1.2
375.27396	3.9
405.11856	10.9
406.12607	1.2
429.10352	81.0
430.10696	6.9
495.28064	3.7
501.18536	0.7
536.31598	2.6
537.15704	20.0
537.33325	13.5
538.16406	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	535.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.6
58.00476	3.4
58.02837	5.5
59.01250	100.0
69.03333	2.9
71.01255	77.8
71.57954	4.2
72.99187	15.1
73.02817	28.5
74.02351	10.8
75.00754	7.2
83.01255	8.7
83.04904	8.6
85.02815	27.3
87.00767	9.7
89.02318	69.0
89.02830	4.8
95.01262	5.4
96.95899	10.8
99.00758	57.1
99.01237	2.2
99.05513	5.4
101.02322	43.0
105.01845	4.2
109.02852	2.7
113.02344	40.5
119.03411	18.8
119.04892	3.1
123.04383	3.1
125.02345	6.3
128.03433	15.0
129.03777	5.1
131.03412	7.8
133.02785	2.4
135.04427	8.8
137.02325	3.3
143.03456	5.9
143.04485	23.9
144.04936	2.8
146.04524	3.1
149.04472	24.1
149.05942	18.8
160.00591	4.1
161.02361	7.8
161.04445	16.5
163.04022	2.9
163.07603	6.4
177.03194	3.6
177.12860	3.5
179.05571	10.0
191.05562	20.5
210.08867	3.7
223.13431	6.6
233.06656	3.9
254.07825	4.8
259.06085	3.2
272.08762	6.3
273.09198	4.1
306.07681	23.9
307.08008	29.7
308.07443	4.8
359.12491	3.1
417.97153	3.4
475.21942	10.3
493.22818	6.5
517.23383	2.6
535.24170	71.5
535.31323	7.9
536.24127	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	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.9
59.01252	100.0
60.01588	1.9
61.98679	0.7
65.03825	2.0
69.03295	1.1
69.85005	2.4
69.85411	2.6
71.01250	13.4
72.99186	1.1
73.02812	5.6
82.95286	3.5
83.01234	2.0
83.02347	1.0
83.04931	1.2
85.02820	5.7
87.00744	2.8
87.04388	0.9
89.02319	8.5
91.05410	5.9
93.03348	2.9
95.01247	0.9
96.14922	0.7
96.95919	1.8
99.00758	2.4
101.02320	9.5
104.27985	0.7
108.02119	0.9
109.02832	19.4
113.02325	6.5
119.03355	1.4
119.04923	5.4
121.02849	21.2
121.44833	0.7
122.03652	1.2
123.04398	1.3
125.02334	3.7
133.02866	1.0
134.03629	3.7
135.04419	51.0
136.04781	2.7
137.02335	4.0
138.03198	0.9
139.03944	1.0
147.04440	3.6
149.02420	1.5
149.05972	3.0
150.03123	4.4
151.00253	1.0
151.03897	3.7
152.04721	1.7
159.02856	0.8
159.04347	1.7
160.01625	1.3
161.02353	1.2
161.04488	3.8
162.74644	0.8
163.03905	3.0
164.04680	7.9
165.05481	6.6
167.03326	1.9
175.03964	3.0
176.04759	5.4
177.01866	0.9
178.02637	2.1
179.05588	1.7
179.07069	3.7
180.04161	2.3
181.04893	1.0
182.05820	1.5
191.05544	1.5
191.07071	6.0
193.04999	6.7
194.05821	6.1
195.06551	11.7
196.03716	1.0
201.09225	1.0
205.08621	1.3
209.08153	8.2
217.08638	1.2
220.15814	0.8
221.08134	6.6
253.10825	2.5
271.19211	2.3
287.05716	1.8
301.10849	2.1
313.11111	0.9
331.11868	37.9
332.12158	3.7
335.64377	0.8
358.14182	2.0
359.10120	1.4
373.12537	1.3
373.16602	18.3
373.26062	3.9
374.17017	2.0
391.26935	1.8
415.23520	4.2
433.24081	4.3
475.25534	1.9
535.21655	1.2
535.30701	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	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.4
59.01254	13.1
65.03828	2.1
67.01761	0.7
71.01260	4.6
71.58843	0.5
71.59249	0.5
73.02829	1.9
82.95300	0.5
83.01273	1.0
85.02821	2.3
87.00758	1.7
89.02325	2.9
91.05412	12.2
93.03345	3.7
95.01287	0.4
95.04933	0.4
96.95913	0.4
99.00765	1.0
101.02330	3.0
106.04170	0.4
107.04868	0.4
109.02839	32.7
110.03153	0.7
113.02341	2.2
119.03382	1.3
119.04914	1.2
121.02848	36.4
122.03036	0.4
122.03625	1.3
123.00842	0.4
123.04401	1.0
124.01567	0.4
125.02346	3.0
132.02930	0.5
134.03642	1.6
135.04417	100.0
136.01591	0.6
136.04724	3.6
137.02350	1.6
138.03152	2.0
139.03911	0.7
143.03366	0.5
147.04436	7.1
148.05180	1.6
149.02357	1.1
149.04385	0.4
149.06023	2.1
150.03140	3.6
151.00278	1.6
151.03912	2.4
152.04700	1.9
153.05498	1.1
155.03412	1.1
159.04396	2.7
161.02380	1.0
161.04510	0.7
161.05997	1.0
162.03133	0.5
163.03957	1.6
164.04706	15.8
165.05510	5.1
167.03430	4.5
173.06013	0.5
175.03958	1.1
176.04723	8.2
177.01825	0.5
177.05460	1.5
178.02660	0.6
179.03458	0.8
179.05617	0.7
179.07051	5.1
180.04230	5.4
181.04997	3.6
182.02165	0.3
182.05779	2.3
183.06512	0.8
188.04654	0.5
189.05457	0.5
191.05576	0.8
191.07068	10.8
193.04985	4.3
194.05785	11.6
195.06569	22.8
196.03787	1.0
196.06883	1.1
203.07066	0.8
206.05769	1.8
207.06551	0.7
209.08138	18.4
210.08568	0.8
221.08148	10.5
222.08534	0.4
235.09691	0.5
287.05573	1.3
288.09860	0.6
299.09265	1.6
300.09741	0.4
301.10892	4.5
313.10913	2.0
313.14053	0.5
316.09485	1.5
331.11868	80.1
332.12167	7.3
341.13773	1.0
372.15555	0.7
373.13428	0.8
373.16666	9.6
373.26025	1.4
374.16852	0.7
391.27182	0.6
473.69183	0.4
473.77087	0.4
475.16516	0.7
535.18311	0.7
535.30524	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	535.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01722	2.8
56.33127	0.6
57.03321	5.3
58.00439	2.7
59.01252	42.6
69.03342	0.7
70.23682	0.6
70.93818	1.6
70.94175	0.6
71.01254	57.8
72.99165	4.0
73.02821	17.1
75.00726	1.2
81.03291	1.3
83.01251	5.6
85.02824	22.5
87.00716	2.4
89.02316	42.0
89.39828	0.6
95.01270	5.2
96.95834	0.7
97.02776	1.7
99.00755	40.7
99.04309	0.9
99.70543	0.7
101.02323	34.7
109.02785	1.1
111.00725	1.2
113.02329	30.5
114.02660	1.0
119.02610	0.9
119.03388	13.2
119.04787	0.6
120.22193	0.7
123.07996	2.8
124.05119	2.5
125.02340	5.4
131.03398	4.1
136.05173	1.4
136.07561	0.7
137.09579	0.6
139.07545	16.9
143.03305	2.6
149.04465	10.5
149.05713	1.0
151.00211	0.8
151.07570	7.1
153.09087	0.7
159.02850	3.6
161.04465	15.1
163.07507	1.1
163.11153	1.0
165.09076	1.0
169.08554	1.1
179.05530	4.7
179.10698	6.3
191.05545	11.5
193.12273	3.6
203.10709	1.2
205.03310	0.9
205.12334	3.2
211.13194	1.3
221.11713	1.7
223.13359	5.4
233.06409	2.6
241.14427	23.4
242.14499	1.8
259.06061	3.7
269.04373	2.5
287.05560	1.6
293.08655	1.1
345.63196	0.7
373.22418	5.9
403.19684	24.7
404.19699	2.6
438.68787	0.7
491.11417	1.6
493.18369	0.7
535.23578	100.0
536.24066	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	535.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03316	1.0
58.00462	0.7
59.01251	13.8
61.31312	0.3
61.47079	0.3
61.98691	0.5
63.40620	0.3
65.03812	0.4
71.01255	15.7
71.04877	0.6
71.59184	0.5
72.99184	1.1
73.02822	5.4
75.00739	0.4
81.03339	0.3
83.01268	1.8
85.02823	5.5
87.00758	1.4
89.02322	7.9
91.05416	1.3
93.03339	3.3
95.01269	1.0
96.95901	1.4
97.02843	0.6
97.06477	0.4
98.95471	0.5
98.96310	0.3
99.00755	11.1
101.02323	9.9
109.02835	2.6
109.06503	0.4
110.03159	0.4
113.02339	6.1
114.01642	0.3
119.04916	85.0
120.05254	2.3
121.02843	100.0
122.03145	3.2
123.04356	0.5
125.02325	1.2
131.03401	1.4
135.04413	22.9
136.04761	1.7
137.02356	0.8
143.03397	1.4
147.04440	1.6
149.02354	0.5
149.04439	0.6
150.03123	0.3
151.03900	0.6
161.02408	0.4
161.04446	4.6
163.03903	0.8
164.04645	0.4
165.05553	0.4
169.06461	0.8
179.03415	0.6
179.05528	1.2
185.11748	0.4
191.05565	3.4
241.08667	55.8
242.09021	3.8
249.59421	0.4
293.08875	1.3
299.47232	0.3
308.35883	0.3
313.23917	0.4
355.15201	0.7
355.24954	0.7
371.14859	0.5
372.15317	0.9
373.16101	1.8
373.21436	0.5
373.25931	5.1
403.14020	4.2
404.14413	0.4
413.14676	1.0
415.12329	3.4
534.30383	0.5
535.18231	39.4
535.31030	21.3
536.18640	5.2
536.31506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46090	1.5
57.03329	14.0
59.01253	50.8
65.00195	4.6
71.01253	32.3
71.12445	1.7
71.12773	2.2
72.99165	4.6
73.02819	6.5
75.00749	2.1
79.75993	1.5
81.03331	2.1
83.01263	12.1
85.02829	10.8
87.00765	3.4
89.02320	20.0
90.55743	1.3
93.03352	3.0
95.01285	2.3
96.95890	3.8
99.00757	3.7
101.02338	15.5
107.01295	9.0
107.04872	1.8
109.02816	3.1
113.02316	14.7
117.03367	2.5
119.03414	9.6
119.04930	4.3
121.02845	2.4
123.04424	1.8
125.02340	84.6
133.02881	3.0
135.04411	4.2
137.02397	1.6
139.03885	2.6
143.03427	1.5
143.46053	1.5
149.02371	8.3
149.04442	1.4
149.05998	3.9
150.02986	1.5
150.99127	2.5
151.00270	30.0
152.01004	3.4
153.01842	11.1
161.04445	5.4
163.04036	3.8
167.03484	1.5
169.06450	1.8
171.04382	1.8
172.05281	2.2
173.06023	5.1
174.17343	1.5
176.00941	2.9
177.05359	1.7
178.99794	14.9
179.03387	5.8
179.05615	3.4
191.05504	5.3
199.03918	1.4
201.05508	2.7
215.07037	6.2
225.05426	3.6
241.05066	2.2
241.10645	2.0
243.06602	4.3
259.06113	100.0
260.06390	6.6
269.04556	74.2
270.04840	5.1
283.06024	1.9
287.05637	36.3
288.06104	1.8
384.06799	2.7
473.10944	3.0
475.21854	3.2
491.11911	42.0
492.12082	5.0
493.23062	4.2
526.93884	1.5
535.23364	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	535.1461
Annotation	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
Peak:m/z	Relative Intensity
56.11059	0.5
57.03308	0.6
59.01255	9.9
62.59195	0.5
67.01744	0.6
70.55148	2.2
70.55498	0.5
71.01252	6.6
73.02828	2.1
73.23903	0.5
75.00750	0.7
81.03344	1.0
83.01261	0.9
83.04893	0.5
85.02810	2.8
87.00767	0.7
89.02335	3.3
91.16672	0.5
95.01296	0.6
99.00769	1.1
101.01715	0.6
101.02332	4.2
105.03342	0.8
106.54819	0.7
107.04886	0.8
108.02060	0.9
109.02821	2.1
113.02312	2.3
117.03379	0.9
119.03404	0.8
121.02861	2.6
123.00748	0.7
123.04419	10.2
124.01567	1.1
125.02345	1.4
132.02055	2.6
133.02855	37.7
134.03578	1.9
135.04420	24.0
136.04715	0.8
137.02342	19.3
138.02667	0.8
139.03914	1.2
147.04410	0.7
149.02391	1.2
149.05988	1.3
150.03105	1.5
151.03922	25.9
152.04715	16.1
159.04369	1.0
161.02356	100.0
162.02681	4.3
163.03973	0.6
167.07031	1.6
175.03905	1.1
177.01819	2.2
177.05428	2.5
178.02631	4.7
179.03426	17.0
191.05515	0.7
193.04944	3.5
195.02925	4.3
196.03708	26.0
197.04095	1.6
203.03369	1.2
211.06067	5.5
213.26584	0.5
221.04442	3.1
263.05521	1.0
280.05859	1.0
323.07715	25.4
324.08148	2.7
345.76105	0.5
355.11584	0.7
358.09146	2.9
373.11414	4.4
389.43747	0.6
415.23199	0.7
450.15805	0.5
479.11816	0.6
517.13556	18.1
518.13788	3.1
520.12213	2.3
535.14581	63.3
536.15027	9.7
536.23602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73173	0.6
58.02854	5.6
59.01257	7.1
60.21343	0.6
69.37268	3.8
69.37696	2.0
71.01254	4.5
72.00775	1.6
73.02822	1.7
74.02347	13.3
82.02828	1.3
83.04906	0.7
84.04428	0.8
85.02833	2.1
86.02347	5.2
86.05988	1.1
87.05511	2.6
88.04417	0.6
89.02312	2.9
90.00061	1.3
90.99892	0.7
96.95918	1.2
97.03951	1.4
99.00756	0.7
99.05525	13.0
101.02334	1.9
101.07085	1.6
102.05505	2.0
109.03957	1.1
109.07538	0.6
111.05540	1.4
112.03913	1.3
113.02350	1.8
114.96913	0.7
116.01676	0.8
119.03381	0.8
120.01173	0.9
123.05521	1.3
124.01477	0.7
124.03957	1.3
125.03416	1.1
127.05032	2.3
128.03435	31.5
129.03807	0.9
135.04436	2.2
135.05550	3.2
141.06598	1.9
143.04530	45.8
144.04831	1.1
145.06082	2.0
146.04543	4.3
149.06041	0.8
153.06631	3.2
160.00642	13.6
160.04015	0.6
161.02367	1.1
161.04449	1.1
166.09787	2.2
167.04510	3.6
167.08183	2.3
171.04111	0.8
171.07669	0.7
177.01953	0.9
177.03337	5.0
179.04541	9.7
181.06181	1.0
184.10822	0.8
185.05673	1.8
192.07727	0.9
197.05598	1.4
209.11838	1.1
210.08797	8.8
242.07788	1.3
254.07834	11.6
272.08887	20.8
273.09222	0.9
288.06631	7.6
289.06641	0.8
306.07672	100.0
307.07925	6.5
517.18695	0.8
534.21307	2.9
535.19159	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	533.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27140	0.4
57.33651	0.5
59.01252	6.1
65.48113	0.5
78.95784	8.2
85.06486	1.2
96.95885	0.6
110.98430	5.9
155.14265	0.6
163.11134	0.4
165.12759	1.1
167.01044	2.9
181.12283	1.0
185.02121	5.1
187.17513	0.5
191.05519	1.0
199.13339	16.4
200.13818	0.7
266.69617	0.6
279.19653	7.9
280.20016	1.1
347.25900	9.1
348.26324	1.0
362.92764	0.6
365.26956	100.0
366.27304	11.8
369.53604	0.6
391.18484	1.9
533.28827	14.1
534.29504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.297
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01757	1.4
55.56521	0.3
55.73122	0.4
57.03331	0.8
57.09786	0.4
58.00481	0.8
59.01252	19.3
69.60857	1.5
69.61277	1.2
71.01256	12.4
71.04881	0.5
72.99187	1.5
73.02827	3.8
83.01263	2.2
85.02828	4.3
87.00742	1.3
87.04380	0.5
89.02328	5.6
91.46401	0.4
95.01289	0.6
97.06476	0.9
98.19767	0.4
99.00768	1.1
101.02324	6.2
104.29918	0.5
107.91089	0.5
109.02837	0.6
113.02320	3.8
119.03403	1.2
119.04887	0.5
120.91567	0.4
123.08053	0.7
125.02348	0.5
125.09592	1.8
134.03711	0.6
135.04451	1.0
137.09622	0.6
139.11137	0.5
142.65393	0.4
143.10683	0.5
153.09135	0.8
155.10683	0.6
159.02890	0.6
161.02402	0.4
171.10178	4.7
184.61313	0.4
185.11769	1.8
185.23058	0.4
191.05592	0.6
193.04985	1.3
197.11766	0.7
200.10490	0.8
215.12811	0.8
243.16093	0.5
273.84103	0.5
302.99808	0.4
311.22153	0.6
323.22290	0.7
341.23358	2.0
353.23367	5.5
354.23615	0.7
355.24915	0.4
371.24365	13.8
372.24695	1.4
467.92941	0.4
498.23004	0.5
515.28717	0.9
533.29675	100.0
534.30011	13.1
545.76959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95134	2.7
53.52298	2.4
57.03313	4.3
58.28455	3.0
59.01254	87.1
67.39883	2.6
71.01258	43.2
71.58554	4.0
72.01579	2.9
72.99165	5.5
73.02811	17.0
79.08668	2.9
83.01263	7.5
85.02820	23.7
87.00769	4.5
87.04404	4.3
89.02308	15.6
93.03322	3.8
95.01217	3.0
95.04931	2.6
96.95892	2.6
99.00786	5.9
101.02312	21.1
108.02038	4.6
109.02829	6.8
109.71828	2.9
111.00805	3.4
113.02325	14.8
115.00198	3.5
119.03381	7.8
119.04905	8.3
121.02827	6.5
125.02336	2.8
125.09684	2.9
129.01871	4.0
134.69972	2.5
135.04422	7.5
137.02359	6.6
149.02325	5.3
151.03912	5.4
152.01082	3.2
161.04416	6.3
165.05408	2.9
171.10170	7.9
177.01868	3.5
191.05531	7.1
205.03322	3.2
205.08728	3.3
223.06067	6.7
226.98082	2.9
244.07347	2.9
328.73160	3.1
341.23364	6.2
353.23227	8.7
371.14743	6.6
371.19891	5.9
371.24384	74.0
372.24570	8.8
533.29529	100.0
534.30328	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67624	0.7
55.01766	1.2
57.02098	0.8
57.03323	10.4
58.00476	0.9
59.01252	79.9
60.01589	1.2
69.03337	0.9
69.40338	7.4
71.01255	19.0
71.04894	2.2
72.01595	0.9
72.99193	2.1
73.02842	4.7
78.96624	0.8
83.01245	1.9
83.04896	3.7
85.02826	7.0
87.00750	7.0
89.02319	15.0
91.05430	1.7
93.03358	1.4
95.01273	1.8
95.04927	1.1
96.95889	3.2
97.06466	1.7
98.20529	1.6
99.00774	4.0
99.04418	1.4
101.02321	13.7
107.04892	5.4
109.02864	3.5
113.02336	8.0
119.03396	6.4
119.04910	1.2
120.05701	3.5
121.02859	2.7
121.04953	6.9
123.04427	1.1
125.02354	1.8
125.05965	1.2
133.10083	1.6
135.04420	12.5
135.08023	1.1
135.11694	2.0
137.02354	1.1
141.05547	0.8
143.03369	0.9
149.02220	0.9
151.03870	1.0
152.04735	1.6
161.04468	4.0
161.09636	17.4
161.13286	12.9
162.09950	1.5
163.03958	1.1
163.11189	13.8
175.03888	1.7
179.05562	1.9
179.10690	3.5
187.11214	19.3
189.09146	10.5
191.05583	2.2
193.04907	1.0
203.10736	1.5
205.12292	13.7
207.10210	15.8
209.11882	1.0
223.13332	17.1
233.08258	2.2
234.08990	1.1
235.09657	1.3
249.11281	12.4
250.11600	1.1
251.09135	1.0
265.09280	0.9
267.12347	10.0
283.10355	13.4
285.03989	1.3
293.10388	4.2
323.11383	3.1
371.15039	6.5
372.15128	1.0
437.48160	0.9
489.23538	3.5
515.21655	1.7
533.22394	100.0
534.22675	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	533.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.4
59.01266	2.6
66.94692	0.3
70.33596	1.0
70.33974	0.6
78.95782	5.7
78.96221	0.6
85.06490	0.8
97.06483	0.4
110.98419	5.2
147.13710	0.4
155.14342	0.7
161.77078	0.3
163.11328	0.3
165.12753	1.5
167.01088	2.3
181.12306	1.0
185.02139	4.7
191.05476	0.4
199.13339	19.5
200.13710	1.0
209.11641	0.4
279.19705	5.5
280.20096	0.6
301.41745	0.3
347.25925	7.1
348.26343	0.7
363.25308	0.6
365.26962	100.0
366.27322	11.9
451.22119	0.4
529.22955	0.4
533.28888	13.1
534.29108	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.4
58.00486	2.5
59.01256	100.0
65.12778	2.2
66.64737	2.6
69.24416	32.1
71.01261	44.9
72.99186	7.3
73.02831	22.4
76.90623	3.0
80.58328	2.9
83.01271	7.6
84.90144	2.4
85.02827	17.1
87.00762	5.6
87.04393	2.6
89.02325	20.9
91.05397	3.2
93.03352	4.3
96.95870	2.8
98.20556	6.0
99.00755	22.6
101.02308	23.9
109.02843	7.6
111.00840	3.3
113.02329	19.1
119.03432	6.8
119.04955	3.7
121.02847	3.7
123.04410	5.4
125.02328	4.5
131.03452	3.9
135.04410	18.7
137.02301	5.0
149.04456	5.3
161.04459	11.3
179.03574	2.9
185.11812	4.3
191.05553	10.8
191.07118	5.4
197.06003	3.3
207.06609	2.9
208.07304	3.1
219.06725	3.2
252.51465	3.1
309.24261	3.6
327.25369	13.5
329.23425	4.4
353.23239	4.7
356.12796	2.9
370.14325	3.9
371.14960	8.5
371.24243	32.7
371.28458	3.4
385.15036	5.4
397.14725	5.2
401.25632	5.9
411.16983	2.8
491.19257	7.1
491.28537	6.2
533.19983	3.2
533.29218	70.1
534.29944	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	533.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60344	0.8
55.01753	1.4
59.01253	39.6
59.94463	0.9
65.03844	2.4
66.74071	0.9
67.01796	1.0
69.44142	3.7
69.44571	4.9
69.87093	0.9
70.51987	1.0
71.01260	17.6
72.99168	1.7
73.02806	6.9
75.00748	18.4
75.25544	0.8
83.01250	2.8
85.02831	8.4
87.00734	2.3
89.02326	14.1
91.05415	11.9
93.03333	3.2
95.92539	1.0
96.95901	1.6
99.00770	8.3
101.02332	10.9
102.21005	1.2
103.05383	1.2
109.02834	19.8
113.02328	8.7
119.03372	3.5
119.04916	3.4
121.02852	25.9
123.04443	2.3
123.82813	0.9
125.02366	2.5
131.03369	1.7
132.02922	1.6
133.02840	1.3
134.03543	1.3
135.04422	100.0
136.01546	1.1
136.04800	2.7
137.02316	2.6
138.03178	1.2
147.04494	5.1
149.02364	3.5
149.04448	7.2
149.05933	1.7
150.03139	2.5
151.03915	2.9
153.05487	1.2
159.02832	1.2
159.04408	1.7
161.02405	1.0
161.04456	3.0
161.05824	1.3
162.03101	1.1
163.03918	24.9
164.04718	11.7
165.05455	4.7
175.03899	4.1
176.04773	1.6
177.01729	1.1
177.05478	1.4
178.06244	2.6
179.03404	1.6
179.07043	4.4
182.02197	1.2
191.05618	4.6
191.06993	4.6
193.04971	2.2
197.06003	2.4
197.15440	1.8
215.07211	1.8
221.08176	0.9
233.08229	17.1
234.08771	1.6
235.09715	9.0
245.08107	3.0
248.10484	3.3
249.11232	5.1
251.07121	1.2
261.11292	1.9
267.06686	1.5
269.08224	1.0
279.06607	1.4
285.04065	7.2
285.07025	1.4
293.08823	1.6
301.10800	9.9
323.05573	1.8
329.10339	2.8
338.08075	1.7
353.10236	7.8
353.13992	2.1
355.11838	5.9
359.20670	5.6
370.14136	11.8
371.11148	1.5
371.15021	29.9
371.24200	1.2
372.15289	2.3
379.01227	1.1
401.21661	1.4
411.16537	7.4
473.17764	1.2
489.10306	1.5
491.25101	6.7
533.20007	13.9
533.27039	9.5
534.20428	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	533.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88388	2.0
57.03310	4.1
57.92887	2.2
59.01248	47.9
64.85547	1.8
71.01253	42.5
71.57792	4.9
72.99199	3.0
73.02827	5.3
76.72284	2.0
85.02825	12.4
87.00748	26.0
89.02325	45.2
93.03335	2.4
96.95879	7.6
98.02350	2.5
99.00760	4.6
101.02319	24.7
109.02871	2.6
113.02308	14.9
119.03402	19.2
121.02864	15.5
125.02310	4.5
129.01808	11.1
135.04419	7.6
143.03365	6.5
143.21864	2.3
147.02893	7.5
147.04399	4.8
149.02348	71.0
149.04324	5.2
150.02736	3.8
151.03847	2.5
152.01021	5.0
161.04460	6.8
163.03891	4.0
164.04709	45.4
165.05254	2.7
169.76460	2.3
175.02414	2.8
179.03218	2.6
179.05525	12.0
179.07011	5.0
191.05560	19.5
193.01352	10.1
208.03706	18.3
223.06070	100.0
224.06400	4.3
309.08243	59.8
310.08661	3.3
327.09256	8.4
449.65921	2.6
505.48062	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.6
62.62286	0.5
69.03308	0.6
71.01242	0.8
73.02777	0.6
81.03367	0.5
83.04967	0.4
85.02821	8.7
87.00742	1.6
88.01733	0.5
93.03325	2.6
97.08231	0.4
108.02047	1.3
109.02814	1.4
111.04414	0.7
124.44882	0.4
127.03892	1.9
144.22482	0.5
152.01073	1.6
171.02945	0.9
173.04366	1.1
191.05536	100.0
192.05905	3.2
281.18057	0.5
353.92743	0.6
489.12570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66337	0.8
59.01252	8.9
69.03339	1.0
70.32594	3.1
71.01254	6.5
72.99197	1.4
73.02841	1.4
75.00761	0.9
81.03319	1.1
83.01286	1.0
84.40958	0.8
85.02827	6.0
87.59521	0.9
89.02338	1.3
95.01279	3.9
96.95892	1.1
99.00773	2.8
101.02319	2.1
103.50442	0.8
108.02053	60.0
109.02856	26.5
113.02372	1.9
123.00775	2.4
123.04427	1.6
135.04385	1.3
135.98221	2.7
151.03896	3.2
152.01060	100.0
153.01866	5.0
153.05489	1.6
161.04549	1.6
163.03923	2.2
164.04738	1.1
191.05573	4.5
271.09726	1.4
329.36414	1.0
353.08801	1.1
357.08209	1.2
403.12515	1.4
447.11176	2.0
448.46271	1.0
489.12482	81.8
490.12674	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	533.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88388	2.0
57.03310	4.1
57.92887	2.2
59.01248	47.9
64.85547	1.8
71.01253	42.5
71.57792	4.9
72.99199	3.0
73.02827	5.3
76.72284	2.0
85.02825	12.4
87.00748	26.0
89.02325	45.2
93.03335	2.4
96.95879	7.6
98.02350	2.5
99.00760	4.6
101.02319	24.7
109.02871	2.6
113.02308	14.9
119.03402	19.2
121.02864	15.5
125.02310	4.5
129.01808	11.1
135.04419	7.6
143.03365	6.5
143.21864	2.3
147.02893	7.5
147.04399	4.8
149.02348	71.0
149.04324	5.2
150.02736	3.8
151.03847	2.5
152.01021	5.0
161.04460	6.8
163.03891	4.0
164.04709	45.4
165.05254	2.7
169.76460	2.3
175.02414	2.8
179.03218	2.6
179.05525	12.0
179.07011	5.0
191.05560	19.5
193.01352	10.1
208.03706	18.3
223.06070	100.0
224.06400	4.3
309.08243	59.8
310.08661	3.3
327.09256	8.4
449.65921	2.6
505.48062	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	531.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47313	0.2
55.01769	0.5
57.03324	0.9
59.01252	8.5
69.84751	1.5
71.01254	5.7
72.99172	0.3
73.02814	0.8
83.01269	0.8
83.04872	0.3
85.02833	1.5
87.00746	0.7
88.86154	0.2
89.02322	5.5
91.03894	0.3
95.01270	0.5
97.02843	0.3
97.06486	0.5
99.08006	0.3
101.02325	6.2
113.02336	2.7
113.09607	1.9
119.03377	1.7
131.95050	0.3
135.52878	0.2
143.03438	0.6
149.36044	0.3
161.04454	3.1
175.83971	0.2
177.12779	0.5
179.05533	1.3
179.14296	0.8
181.12242	0.4
190.40448	0.3
195.13849	14.9
196.14233	0.9
235.08115	0.4
250.27609	0.2
253.09265	27.7
254.09650	1.1
254.82179	0.3
277.21729	14.6
278.22076	1.6
293.21378	0.4
295.22784	100.0
296.23135	9.2
322.89169	0.3
377.57382	0.3
442.02469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28661	0.2
51.68811	0.3
57.03310	0.8
58.00455	0.5
59.01251	10.9
68.27304	0.3
71.01255	6.5
72.99151	0.7
73.02013	0.2
73.02825	0.7
79.53314	0.3
83.01256	0.7
85.02828	1.1
85.79599	0.3
87.00751	0.8
89.02317	6.2
89.02840	0.5
93.03358	0.3
95.01285	0.5
96.30555	0.3
98.20533	0.9
99.00744	0.3
101.02327	6.5
112.02370	0.3
112.25552	0.3
113.02330	3.9
113.09588	1.3
119.03393	1.7
131.03415	0.3
143.03409	0.5
161.04478	3.6
171.10176	4.5
177.12807	0.5
179.05479	1.4
179.14326	0.5
181.12318	0.3
195.12032	0.6
195.13843	12.1
196.14157	0.8
251.23657	0.5
253.09265	29.8
254.09604	1.3
277.21716	16.2
278.22131	1.5
295.22778	100.0
296.23120	9.0
300.15604	0.3
367.96973	0.3
438.09631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87868	0.6
55.01748	2.5
57.03332	2.6
58.00465	2.2
58.00914	0.6
59.01251	62.8
69.52726	3.2
69.53156	2.3
71.01251	55.2
72.01605	0.8
72.99184	3.4
72.99528	0.6
73.02818	28.2
83.01260	3.1
84.02020	0.8
84.64565	0.7
85.02823	19.2
87.00764	2.1
87.13990	0.7
89.02318	53.8
93.03355	2.3
95.01254	5.3
97.02811	1.6
98.20493	1.4
99.00757	100.0
100.01091	2.0
101.02323	24.9
102.17527	0.6
111.00792	1.0
112.01516	0.7
113.02333	43.9
119.03428	8.3
119.04910	25.5
120.05251	9.1
121.02847	0.8
121.05524	2.4
123.04415	1.7
125.02378	1.3
129.01903	0.7
131.03394	16.3
135.04413	12.6
136.04749	6.0
137.02438	0.7
137.04974	2.1
143.03412	3.6
149.04463	43.4
149.05934	2.9
150.04922	0.9
150.06331	1.8
161.04474	23.9
161.05833	1.3
161.92682	0.7
164.03436	2.7
179.05528	2.9
187.07529	0.9
189.06729	0.9
191.05536	41.1
192.05846	1.4
194.08136	0.9
201.09100	1.3
202.32249	0.8
203.05504	1.0
205.08653	8.5
206.09015	6.1
207.09108	3.3
220.10753	0.8
233.06657	6.1
289.07196	0.8
291.47647	0.7
293.08749	1.9
309.13989	0.7
321.59232	0.7
325.14395	7.4
326.14841	8.0
327.15085	10.6
369.18231	3.6
369.22501	1.5
399.23987	4.6
471.19421	1.0
487.26285	0.9
498.36914	0.7
531.28217	31.7
532.28650	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	531.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60186	1.6
52.07556	1.3
57.03331	3.4
59.01251	16.6
69.65350	10.5
71.01250	8.5
73.02806	3.3
83.01266	1.7
85.02824	21.0
89.02309	6.0
91.01749	4.0
93.03334	6.1
95.01285	1.7
96.95898	3.6
99.00768	9.2
101.02325	4.2
105.42911	1.6
111.00742	1.8
113.02324	6.6
119.01281	3.6
119.04858	1.9
121.02825	7.0
123.04396	2.4
125.02353	2.7
129.01811	2.6
131.03389	1.8
134.03737	1.8
137.02351	5.7
147.02867	3.0
149.05891	1.8
151.03922	100.0
152.04243	3.4
161.04494	3.0
163.03990	2.0
191.01851	4.8
191.05531	6.3
193.04933	2.4
248.73569	1.4
256.38519	1.6
366.84964	1.5
445.13644	7.8
487.14511	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	531.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.1
58.62640	1.0
59.01254	12.2
64.00320	0.8
71.01252	5.4
71.58528	2.0
72.99184	1.6
73.02809	3.0
78.03893	0.8
83.01251	2.7
83.04888	0.9
85.02825	7.6
89.02312	3.1
93.03346	1.5
95.04914	1.3
96.95911	6.2
99.00756	1.9
101.02335	3.1
107.04830	0.9
109.02835	2.8
111.00737	1.6
111.08030	1.4
113.02310	4.9
119.04927	1.3
121.02847	8.9
122.03640	1.2
123.04390	1.8
125.02361	1.0
126.22402	0.9
129.01843	2.3
133.02875	2.8
133.06447	1.1
135.04425	2.6
136.01550	2.0
148.05173	1.5
151.03946	3.0
157.06516	5.2
159.04422	6.6
161.04492	1.1
163.03845	0.9
171.04417	2.9
172.05202	2.4
173.05971	3.7
179.05693	1.0
185.06059	1.4
191.05516	2.8
193.04955	1.2
197.06071	1.2
198.06839	1.0
199.07603	1.6
200.04776	1.2
201.05545	6.6
203.10670	2.9
211.07611	2.7
212.08246	1.2
213.05565	2.9
214.06296	2.8
225.05644	1.3
227.03429	1.5
238.06316	2.9
239.14261	1.5
241.04985	4.9
241.12283	9.9
242.05782	1.1
243.06636	4.0
255.06586	12.0
255.14015	0.9
256.07202	2.2
257.15479	3.6
263.14404	2.5
270.05276	1.6
281.12534	1.6
281.15427	10.9
283.13312	10.3
284.13672	2.0
285.11395	3.0
307.13400	9.7
308.13791	1.3
309.11322	1.3
317.18118	1.1
325.14453	27.3
326.14697	1.9
327.12360	6.0
351.12482	5.9
369.13422	100.0
370.13782	12.6
411.14481	1.8
487.32797	1.3
531.18689	13.9
531.27911	4.0
532.19202	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
55.62611	1.4
57.03321	5.4
59.01253	12.8
61.00324	1.2
62.92524	1.4
67.01778	3.0
67.26693	1.3
67.29620	1.3
68.99666	1.7
69.03323	3.9
71.01255	33.3
72.99181	30.0
73.02824	25.9
75.00756	5.1
83.01267	5.1
85.02829	53.9
87.00749	7.7
89.02309	2.3
95.01259	13.9
96.95885	4.2
96.99172	1.4
97.49887	1.4
98.94823	1.5
99.00768	9.6
101.02319	13.8
103.00278	1.7
103.03906	1.6
111.00832	1.8
113.02338	100.0
114.02659	3.2
114.33658	1.3
115.00256	7.3
123.27078	1.4
129.01833	19.5
129.58617	1.4
131.02469	2.0
131.03403	29.4
147.02908	1.4
147.84561	1.4
157.01352	12.4
161.04434	5.1
175.02417	61.8
193.03511	3.6
235.04561	18.5
337.07828	12.0
355.08524	3.0
397.10025	2.9
451.33871	1.8
453.08917	3.3
471.09912	7.4
531.11871	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	530.097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.0
65.37164	0.6
67.01762	0.6
69.70181	2.0
69.70596	1.7
71.01243	2.0
73.02818	1.3
74.02367	1.0
80.22546	0.5
81.03311	0.7
85.02825	16.2
85.03590	0.6
86.02354	11.4
87.00755	3.1
90.57469	0.6
93.03334	8.5
95.01268	0.8
95.18363	0.6
98.02367	6.2
98.20486	1.1
99.00755	1.3
100.00274	10.2
109.02840	1.3
111.00770	2.2
111.04402	2.4
113.02332	1.5
118.57100	0.6
119.04871	0.8
127.03913	2.2
129.01830	2.4
133.02892	0.9
135.04439	7.7
144.01161	0.7
144.06563	1.2
151.03899	0.7
155.03429	1.4
159.04439	8.2
159.05701	0.7
161.02362	5.2
161.05994	2.8
163.03909	0.9
171.02982	0.7
173.04477	9.5
173.06007	12.4
175.02487	0.9
175.03986	0.9
176.00168	19.3
177.00153	1.0
177.05490	1.5
178.00948	1.6
179.03444	4.6
187.03937	17.5
188.04170	1.1
188.05644	0.9
188.07098	1.7
189.04222	0.8
191.01952	4.5
191.05547	100.0
192.02361	1.0
192.05887	3.8
193.03307	5.0
193.04906	1.1
200.03442	1.0
201.04202	1.4
203.03407	1.0
204.06673	1.3
205.03442	1.1
206.04488	0.7
209.02960	2.3
213.02019	0.9
214.05136	0.8
216.06624	14.9
217.07115	1.0
218.04312	0.6
219.01154	14.9
221.02721	2.6
230.04610	0.6
233.06674	0.6
234.02171	0.7
242.04568	9.7
243.04735	0.6
244.99088	1.3
248.03806	1.2
250.05649	1.1
260.05597	1.8
276.03510	1.2
294.01089	1.0
294.04437	20.2
295.04639	1.6
320.02310	1.7
338.03497	3.6
353.08789	11.0
356.04535	8.5
512.08734	20.8
513.08997	2.5
517.42511	0.6
530.09760	31.6
531.10065	4.1
558.81439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.3
57.03324	2.4
59.01249	6.2
59.11105	0.2
69.03323	0.2
69.83266	0.6
69.83681	0.8
71.01248	4.5
73.02813	0.7
83.01266	0.4
85.02824	0.9
89.02312	3.3
95.01257	0.3
97.02816	0.2
98.19793	0.2
98.96218	0.2
101.02322	4.1
109.06466	1.0
113.02315	1.6
113.09606	12.5
114.09910	0.3
116.86012	0.2
119.03389	1.0
125.02354	0.3
128.29884	0.2
131.03416	0.2
135.11736	0.4
139.11215	1.5
143.03394	0.4
149.09665	0.3
161.04462	1.7
163.11189	0.3
164.13737	0.3
167.10698	1.8
171.10188	0.7
177.12756	0.8
179.05521	0.7
179.10667	1.5
181.10025	0.2
183.13863	0.8
195.13835	2.2
207.10165	0.6
209.13591	0.2
211.13333	2.9
235.08185	0.4
235.16943	0.8
249.22133	2.1
253.09258	17.3
254.09625	0.7
275.20206	1.6
293.21213	100.0
294.21533	7.9
395.94962	0.3
529.30084	0.8
547.96320	0.2
559.59088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3023
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
51.91592	0.7
57.03318	3.2
59.01254	23.1
60.79604	0.7
61.98707	0.9
65.30279	0.8
67.01746	1.6
69.03329	1.2
71.01257	27.0
72.99184	7.7
73.02817	2.2
75.00749	21.2
78.95781	3.9
78.96162	0.7
83.01267	1.9
83.04913	0.9
83.99406	0.8
85.02827	31.8
87.00739	10.9
89.02299	7.1
95.01277	6.8
99.00755	13.7
101.02351	0.9
103.00274	3.8
111.00762	1.3
113.02337	45.1
114.02671	1.8
115.00247	2.9
117.01823	4.1
129.01837	2.6
131.03391	1.2
157.01372	2.6
174.00580	0.7
175.02448	5.3
180.00156	0.8
191.05545	2.5
193.03554	1.3
205.07201	4.0
213.58469	0.8
223.08266	1.5
231.05159	1.2
249.06154	10.9
255.23294	13.9
267.07190	13.3
277.21558	1.1
279.23294	86.0
280.23676	8.1
283.13318	0.7
333.57721	0.8
469.27438	1.0
480.31021	7.7
511.29105	2.9
529.30194	100.0
530.30579	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
58.00473	0.4
59.01255	7.9
69.82536	1.5
71.01255	6.1
73.02834	1.1
83.01253	0.5
85.02830	1.3
87.00745	0.8
89.02325	5.9
95.01275	0.4
97.02874	0.3
101.02335	6.1
111.07987	0.5
113.02332	3.1
119.03379	1.7
131.03349	0.4
143.03407	0.5
149.09686	0.3
161.04446	3.6
167.10687	0.3
177.12732	0.5
179.05574	1.2
179.14322	0.6
195.13858	7.5
196.14438	0.9
205.12270	0.7
211.13316	0.4
213.43036	0.4
213.90262	0.3
223.13373	5.0
228.13821	0.5
234.00290	0.3
253.09273	28.7
254.09676	0.9
256.13205	1.3
275.17444	0.4
275.20178	4.3
293.21231	100.0
294.21603	6.9
492.22229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.4
57.03320	0.7
58.00456	0.4
59.01251	11.6
67.01746	0.3
69.03335	0.4
71.01252	9.0
71.59252	0.4
72.99171	0.5
73.02825	1.4
78.95778	0.4
81.03292	0.2
83.01247	0.8
83.04930	0.2
85.02825	2.0
87.00755	1.5
89.02319	7.8
93.03323	1.4
95.01286	0.7
95.04910	0.3
97.02852	0.3
99.00751	0.3
99.04357	0.2
101.02324	9.3
111.08028	0.6
113.02319	5.0
119.03405	2.0
125.02389	0.3
127.11016	0.3
128.02483	0.2
131.03363	0.3
138.66811	0.2
143.03377	0.9
161.04457	4.1
167.10741	0.4
169.12267	0.4
171.10225	0.2
173.04486	1.1
179.05565	1.7
179.14334	0.5
181.12102	0.4
191.05560	0.4
195.13831	8.5
196.14336	1.0
205.12259	0.9
205.15903	0.5
205.45918	0.2
209.11772	0.4
211.13344	0.6
223.13365	6.6
224.13837	0.4
228.13683	0.7
231.21094	0.3
235.08044	0.3
253.09271	36.6
254.09633	1.3
256.13104	1.2
265.21722	0.4
275.20175	5.5
276.20502	0.4
291.19656	0.4
292.20154	0.5
293.21228	100.0
294.21585	6.5
303.58810	0.3
413.56830	0.3
414.90707	0.3
447.13440	1.1
492.21988	0.6
529.20898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01253	2.6
60.66865	0.2
65.03835	1.9
67.01766	0.4
71.01261	1.0
71.58895	0.3
73.02834	0.3
75.15202	0.2
79.05404	0.8
80.02545	0.2
83.01277	0.3
83.32440	0.1
85.02831	0.7
89.02322	0.6
89.69111	0.2
91.05412	13.1
92.05759	0.4
93.03340	3.6
99.00751	0.4
101.02342	0.7
105.03352	0.2
107.04918	4.2
108.02047	1.8
109.02840	11.7
109.06457	1.9
110.03183	0.4
113.02325	1.0
119.04918	3.4
121.02844	39.8
122.03623	2.0
123.04375	0.2
125.02354	0.4
133.02849	0.7
133.10077	0.4
134.03636	11.4
135.04414	98.8
135.89980	0.2
136.04747	3.8
143.08498	0.2
145.10159	0.3
147.04420	20.7
148.05223	6.7
149.04428	0.2
149.05618	0.3
159.04425	1.7
159.11693	1.1
160.05243	1.1
161.04453	0.4
161.05869	0.2
162.03186	0.2
166.02640	0.7
167.03401	0.2
171.08047	0.4
173.05980	1.4
174.06766	0.7
175.07545	0.2
177.05731	0.3
177.09126	17.3
178.09506	1.0
185.09608	0.2
187.07574	0.9
188.08276	0.3
189.09138	38.8
190.09468	1.9
191.05531	0.7
199.07529	0.2
201.09097	0.9
203.10707	100.0
204.11044	6.1
209.11856	0.2
215.10715	8.5
216.11063	0.5
245.08083	0.2
261.66772	0.2
289.07190	0.7
307.13333	1.2
325.14435	43.4
326.14755	4.1
339.10745	0.2
346.61658	0.2
397.22220	0.3
469.18457	0.2
487.19635	0.5
529.20563	6.3
529.26886	0.4
530.20886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	17.3
61.98694	2.5
62.34308	0.7
67.21767	0.6
69.46611	6.1
71.01258	10.2
71.04900	3.4
73.02824	2.1
78.95782	2.5
83.01241	0.9
83.04913	0.9
85.02830	2.4
87.00788	1.6
89.02315	7.1
90.83276	0.7
93.03333	0.9
99.00722	1.0
101.02328	10.0
113.02337	4.6
119.03381	2.3
119.04935	0.9
135.04436	0.8
143.03447	0.9
151.03885	0.7
157.08626	2.7
161.04439	4.5
165.94107	0.7
179.05518	1.9
183.13895	1.9
209.11687	1.0
209.15408	1.0
216.80867	0.7
221.15506	0.9
227.12877	1.1
230.51799	0.7
231.21127	2.9
235.08241	1.5
235.17001	46.1
236.17345	4.4
253.09271	37.9
254.09560	1.9
275.20157	55.1
276.20538	6.1
293.21228	100.0
294.21530	9.1
307.36093	0.8
346.05234	0.9
495.23880	0.8
529.28961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62653	0.9
55.10989	0.9
59.01252	6.0
69.83379	0.8
70.34015	2.3
70.34410	1.5
71.01252	2.6
71.08485	0.8
73.02822	1.4
81.07370	0.9
85.02828	2.4
86.70179	1.1
93.03330	7.1
99.00729	1.6
101.02303	2.1
105.06953	1.5
113.02326	2.4
117.25152	0.9
119.04915	100.0
120.05235	3.7
121.02789	0.9
134.03667	1.4
135.04413	64.4
136.04707	2.2
149.04863	1.1
149.05986	16.7
151.07576	1.7
161.05884	1.6
162.12834	1.1
163.03888	1.7
166.02556	1.3
167.92059	0.9
177.09102	0.9
186.13760	0.9
187.07553	7.1
190.12305	4.2
191.05478	1.9
193.06508	36.9
194.06813	2.2
201.09077	8.0
205.08641	52.1
206.08984	4.1
208.13327	3.3
219.10225	6.5
232.17087	4.6
235.56610	1.0
248.24931	0.9
254.08917	0.9
255.10234	2.2
276.15985	3.0
294.17099	3.5
307.13409	4.9
325.14447	90.3
326.14764	8.8
469.18954	1.3
485.34760	1.5
487.16086	2.1
529.17725	1.4
529.26563	3.0
530.26031	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	529.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73318	0.2
59.01252	3.4
65.79230	0.3
71.01248	0.5
71.08205	0.2
84.69286	0.3
89.02314	0.5
93.03354	1.7
109.02813	0.4
118.01485	0.2
119.04918	100.0
120.05256	3.8
121.02865	0.7
134.03598	0.4
135.04414	4.7
147.04361	0.4
151.70920	0.3
175.03903	0.3
184.12866	0.3
189.09137	3.0
191.05553	0.9
203.10687	0.5
205.08606	2.3
209.11765	0.8
217.08705	0.3
218.09262	0.5
219.10222	0.7
289.07208	0.4
306.23856	0.3
307.13168	0.3
325.14432	17.2
326.14792	1.8
355.15500	0.4
367.15369	0.6
469.18594	0.7
494.64316	0.3
507.78027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16362	0.1
59.01254	3.8
63.74403	0.1
65.28658	0.1
71.01259	0.8
73.02828	0.3
75.21272	0.1
75.83774	0.1
81.98822	0.1
82.82247	0.2
85.02847	0.1
89.02310	0.7
93.03335	1.6
98.19749	0.3
99.00774	0.3
101.02319	0.2
106.20034	0.2
113.02347	0.3
116.38810	0.2
119.04919	100.0
120.05245	3.7
135.04439	1.3
147.04384	0.2
149.04474	0.4
173.57141	0.1
187.07536	0.2
189.09129	0.7
191.05521	0.5
193.08667	0.2
198.39360	0.1
201.09169	0.2
205.08696	0.3
209.11819	0.4
211.13231	0.2
225.11200	0.2
305.55731	0.2
307.13379	0.4
325.14453	13.9
326.14792	1.4
350.97177	0.1
367.15503	0.5
469.18469	0.2
529.20801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.2
65.03831	1.7
65.63666	0.4
65.77097	0.4
69.01527	0.4
71.54904	1.0
76.54399	0.4
79.05421	0.4
91.05416	8.2
92.05720	0.5
93.03340	10.4
95.25492	0.4
97.02875	0.4
99.42197	0.5
105.06998	3.2
107.04929	1.4
109.02827	5.5
119.04922	83.3
120.05226	2.8
121.02849	16.2
123.04387	0.7
125.33075	0.5
134.03647	2.9
135.04420	100.0
136.04742	4.0
147.04451	7.3
148.05168	1.7
149.05994	25.9
150.06328	0.9
159.04372	0.7
161.05954	2.4
165.89529	0.5
166.02570	1.1
173.09540	0.4
175.07629	0.9
177.09123	3.1
187.07614	5.4
189.09180	11.9
190.09441	0.7
201.09158	10.6
202.09581	0.5
203.10724	20.1
204.11066	1.0
205.08653	47.4
206.09027	2.2
215.10728	3.2
219.10217	5.5
231.10446	0.6
247.09627	1.2
255.10292	3.2
307.13379	6.8
325.14447	61.9
326.14740	7.0
407.17188	0.8
455.03470	0.5
529.20471	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	529.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07685	0.5
52.13321	0.6
59.01252	11.6
71.01260	4.5
71.36281	1.0
72.72863	0.6
72.99188	0.7
73.02824	8.4
73.19745	0.5
78.54727	0.5
79.79446	0.6
83.01266	2.4
85.02826	0.8
89.02337	1.3
93.03334	10.6
95.01235	0.7
98.32225	0.6
101.02332	6.4
104.36434	0.6
105.06974	1.1
107.04929	1.0
113.02357	1.8
119.04921	100.0
120.05266	3.4
125.38077	0.5
134.03624	1.1
135.04419	33.9
136.04793	1.1
149.02580	0.5
149.05998	10.8
155.85963	0.5
161.04604	0.8
161.06001	0.9
166.02596	0.7
175.07710	0.6
180.89748	0.5
187.07596	13.2
188.07988	0.8
191.05649	1.1
193.06644	1.3
201.09148	15.8
202.09477	0.9
205.08659	35.2
206.09068	2.5
213.09137	1.3
218.12971	0.6
219.10249	3.4
252.07524	0.7
255.10371	0.8
289.07333	0.7
307.13403	24.8
307.16922	1.2
308.13757	2.1
325.14459	59.9
326.14810	5.3
344.70969	0.5
409.15375	0.7
458.75504	0.6
465.61548	0.6
469.18658	1.1
471.97903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03322	0.4
59.01252	10.4
69.30877	2.3
71.01253	6.4
72.06974	0.3
72.99205	0.4
73.02824	7.5
74.03168	0.3
83.01241	1.3
85.02837	1.9
87.00740	0.5
89.02314	2.7
95.01301	0.2
97.02859	0.3
99.00756	8.7
101.02323	5.0
104.62560	0.2
109.99495	0.2
113.02325	6.3
121.34328	0.2
125.02361	1.0
130.53189	0.2
131.03392	1.5
135.04411	6.0
143.03395	0.9
149.05957	0.5
161.04468	2.9
163.03915	54.5
164.04303	3.0
178.06268	55.0
179.06833	4.0
191.05539	1.7
193.08629	100.0
194.08963	4.6
203.05559	0.9
215.92612	0.2
275.07669	0.8
279.96634	0.2
293.08771	0.8
323.11523	0.4
466.86017	0.3
469.17053	0.4
487.18185	17.3
488.18539	2.2
529.19226	13.8
530.19507	1.9
545.35706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44444	0.4
55.01765	0.9
59.01254	15.7
64.16402	0.4
65.99712	2.9
69.35236	3.2
69.35663	1.8
71.01260	9.1
72.99171	0.5
73.02821	8.9
83.01278	2.3
85.02834	2.6
87.00790	0.6
89.02317	2.8
97.02843	0.6
99.00755	13.5
101.02331	7.9
107.04925	0.4
113.02337	8.2
125.02356	1.7
131.03395	2.0
135.04428	9.7
135.06618	0.5
137.01430	0.6
143.03378	0.7
150.01129	1.5
151.00540	0.7
161.04480	1.6
163.03925	71.6
164.04315	3.5
178.06276	78.3
179.06693	5.3
191.05553	3.0
193.01682	70.9
193.08635	100.0
194.02020	3.7
194.08986	5.6
202.90231	0.5
203.05582	1.0
208.60214	0.5
252.65872	0.5
275.07690	0.8
293.08789	1.0
469.16855	0.6
487.11160	5.1
487.18207	14.4
488.11935	0.8
488.18298	2.6
529.12152	2.1
529.19208	7.6
529.27344	0.9
530.19849	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	529.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99365	1.1
57.03313	1.9
58.00450	1.5
59.01249	100.0
60.01557	1.4
61.75752	1.2
61.98684	2.2
62.92157	1.2
65.25494	1.1
69.71040	8.1
71.01255	32.6
72.99177	2.7
73.02827	15.7
75.00735	1.3
80.96394	2.0
83.01248	5.9
83.04876	1.2
85.02815	13.6
86.26487	1.2
87.00746	2.8
89.02320	14.3
93.03313	1.8
95.01221	1.6
95.04862	1.5
96.95892	10.3
99.00750	5.1
101.02317	24.2
106.06487	1.6
109.02812	2.5
113.02318	12.2
119.03381	7.1
119.04875	2.1
122.03682	1.1
123.00829	1.5
125.02335	6.0
131.03403	1.7
135.04382	4.3
137.02357	2.7
143.03409	1.5
149.04396	1.6
150.05502	2.5
151.03932	3.1
152.01004	1.4
153.01877	2.0
161.02386	1.4
161.04483	8.1
163.03979	1.6
171.11655	2.1
175.03838	1.3
177.01755	1.4
179.03354	1.4
179.05486	2.3
191.05498	6.1
193.04979	2.2
193.08575	1.4
196.03706	1.6
203.05513	1.7
237.14986	2.9
241.71494	1.4
307.15591	7.8
307.18594	1.6
308.15543	1.6
310.29782	1.7
399.20190	8.1
400.20813	1.4
485.20380	26.7
486.20660	4.0
487.18063	3.8
529.18695	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	529.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
70.08659	0.5
70.09068	0.2
72.53201	0.1
72.79406	0.1
79.95615	2.1
90.71460	0.1
96.95890	100.0
97.95824	0.2
121.74569	0.1
151.03868	0.2
204.83575	0.1
227.12787	0.2
257.04092	0.2
287.15045	0.5
367.10651	0.2
467.73022	0.1
529.15906	5.7
530.16266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89708	1.2
58.62877	1.5
59.11099	1.2
64.87385	1.4
69.86924	2.5
69.87323	7.4
71.01250	2.2
81.03362	1.6
83.01244	1.8
83.04894	1.7
87.00743	1.4
93.03331	4.6
96.95896	10.2
98.19834	1.7
109.02846	6.1
111.00774	1.7
111.04407	9.6
123.04411	13.7
124.01570	2.8
125.02370	1.4
134.03642	5.8
135.04413	1.9
137.02335	46.5
138.05495	1.5
139.03902	2.1
139.77724	1.3
149.06007	2.0
150.03151	1.3
151.03911	41.3
152.04694	39.1
155.03384	3.0
167.07031	4.1
173.04520	2.5
177.01939	2.0
178.02605	8.9
191.05606	4.7
193.04976	23.3
195.02888	6.4
196.03705	100.0
197.04002	3.8
211.06055	53.0
212.06413	1.7
217.00385	1.3
252.38179	1.6
267.95032	1.4
281.06818	2.7
355.10223	2.2
358.09033	6.3
373.11389	41.3
374.11899	3.2
391.55865	1.6
463.91971	1.5
478.11307	3.0
493.13519	13.5
511.14618	15.2
529.15607	22.4
530.15588	1.5
556.93561	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	528.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72837	1.4
55.84623	1.8
59.01230	4.1
66.03334	1.5
71.01241	6.0
71.57743	1.7
71.58122	2.2
72.99181	1.6
73.02812	3.1
75.00718	2.0
78.15452	1.4
85.02814	3.8
87.00745	1.4
93.03294	1.8
95.01263	2.4
96.95888	64.2
98.00607	2.5
100.02148	4.8
101.00541	5.6
101.02328	2.5
108.02046	50.1
108.04406	3.3
109.02151	2.0
109.02844	38.2
110.03192	1.6
112.02148	6.4
119.04874	1.9
123.00735	3.2
123.04390	4.7
124.02174	3.5
140.01637	3.8
142.03198	4.2
144.01147	31.9
144.99609	3.5
151.03915	1.9
152.01065	55.7
152.03487	2.1
153.01851	20.6
153.05470	2.3
161.04517	1.6
163.03831	1.5
168.01143	1.8
175.03847	2.0
184.00621	3.8
186.02118	2.4
191.03487	2.7
191.05489	4.0
193.94174	1.6
226.01648	2.1
230.01152	5.1
272.02267	1.9
341.05215	7.2
352.71820	1.4
452.18298	2.2
466.08203	2.1
482.60593	1.8
484.09113	32.8
485.09329	3.3
527.23285	2.1
528.08136	100.0
529.08551	12.7
529.15985	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	527.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
56.44598	0.4
57.03325	1.0
59.01253	100.0
60.01597	1.3
69.03336	0.8
71.01257	16.1
71.58784	0.8
73.02823	5.4
78.95772	0.8
82.62352	0.5
83.01264	2.5
85.02831	5.1
87.00767	1.6
87.04415	1.2
88.26797	0.4
89.02315	4.8
95.01284	1.2
97.02872	0.7
99.00775	2.0
101.02327	11.0
101.05990	0.5
101.31004	0.4
109.02972	0.4
111.00783	0.8
113.02335	7.5
119.03408	2.0
119.04929	1.2
125.02367	1.0
135.04385	2.7
143.03432	1.0
159.02943	0.8
161.04448	4.7
163.11249	0.7
171.10182	1.2
175.42966	0.5
179.05589	1.2
191.14368	0.7
192.14783	0.8
197.11852	1.1
201.09210	0.9
207.10240	0.6
209.11841	1.2
217.19420	0.5
225.11333	0.8
236.91739	0.4
245.19109	0.5
246.19539	0.6
247.20021	0.5
253.09256	1.2
254.09831	0.5
255.09743	0.7
289.18015	2.7
290.18469	3.6
291.19138	5.8
292.20117	0.5
307.22797	0.6
323.12961	2.2
323.26010	1.1
324.49152	0.5
397.26202	0.8
449.28946	0.8
467.30145	10.9
468.30322	1.2
485.31168	9.4
486.31790	1.3
527.28644	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20037	1.8
57.03312	2.9
59.01250	20.0
67.23560	1.6
69.64889	1.7
70.92705	3.8
71.00953	1.8
71.01261	22.7
72.99169	6.8
73.02832	2.7
74.36077	1.8
75.00745	18.8
85.02831	25.2
87.00752	9.3
89.02317	5.6
95.01260	7.6
96.66801	1.7
98.20558	1.9
99.00760	11.7
101.02288	2.3
103.00246	5.9
113.02333	49.0
115.00291	2.6
117.01832	3.8
129.01752	2.8
130.25223	2.1
157.01376	2.0
158.10713	1.7
175.02376	5.1
205.07106	2.3
223.08209	1.8
234.76038	1.9
249.06168	9.2
260.47961	1.8
267.07272	10.6
270.26389	2.0
277.21741	70.9
278.22046	5.8
509.27289	6.0
527.28577	100.0
528.28973	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	527.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03317	0.5
58.00460	0.4
59.01250	100.0
60.01583	1.4
68.04723	0.5
69.03333	0.6
70.76109	1.1
71.01250	13.9
72.99198	0.6
73.02823	3.6
78.95775	1.0
83.01271	1.9
85.02829	4.2
87.00776	0.8
87.04391	1.4
89.02311	4.1
93.03348	0.6
95.01264	1.2
97.02842	0.5
97.42162	0.4
99.00765	1.7
101.02319	8.2
101.05971	2.5
109.02888	0.5
109.72382	0.4
111.00750	0.7
113.02335	6.3
119.03361	1.0
125.02368	1.3
132.40047	0.4
135.04405	3.5
143.03435	1.2
146.44914	0.5
159.02931	0.6
161.04457	4.1
171.10158	1.1
179.05602	0.9
199.13454	0.5
201.11256	0.6
207.10213	0.5
209.11781	1.2
225.11250	1.2
234.20773	0.4
253.09062	0.5
291.19604	2.1
323.25992	1.5
346.05676	0.9
365.26941	0.5
467.30106	6.4
468.30673	1.1
485.31146	8.2
486.31595	0.5
527.18890	0.5
527.28302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93736	1.1
51.02895	1.0
57.03329	1.2
57.57751	1.0
59.01251	14.7
71.01262	8.0
71.58424	2.0
73.02784	1.9
85.02845	1.7
89.02331	5.3
99.00762	1.3
99.47765	1.0
101.02325	7.7
101.96102	1.0
104.23977	1.3
109.06440	1.0
110.57833	1.1
113.02307	3.8
121.02829	1.2
125.09612	4.6
127.11192	2.9
143.04424	1.0
153.12735	1.5
161.04459	2.7
171.10201	4.2
185.11766	2.0
197.11852	1.5
207.10101	1.9
209.11809	2.2
217.10709	2.0
223.76472	1.2
225.11276	1.4
227.12794	1.6
229.19766	1.7
247.20732	4.0
253.09280	24.0
263.20148	13.1
273.18491	9.4
274.18948	1.2
291.19662	100.0
292.20020	8.6
527.28607	6.7
527.42145	1.1
554.04730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74849	0.5
55.01778	0.6
59.01249	8.1
59.03860	0.5
71.01258	6.9
71.04894	4.1
71.44588	0.6
72.99207	0.6
73.02814	1.8
83.01281	0.5
83.04897	0.7
85.02811	1.6
87.00729	1.1
89.02305	4.7
95.01298	0.5
95.04928	0.5
97.06469	1.7
99.00751	0.8
101.02324	5.9
109.06474	0.6
111.08083	2.4
113.02344	2.1
119.03407	1.1
125.09639	1.0
126.69155	0.4
135.04417	1.8
139.11212	0.4
143.03476	0.5
161.04440	1.8
165.12695	0.6
167.10738	0.9
171.10167	0.8
177.12718	0.5
179.05470	0.4
181.12315	0.8
183.13823	0.9
193.12218	0.4
195.13831	3.0
207.13776	0.6
209.11784	1.3
219.13832	0.7
227.12723	0.8
235.08014	0.5
235.16963	0.8
245.30428	0.5
247.20598	1.3
253.09254	19.1
254.09494	0.8
263.20059	3.3
273.18631	3.0
274.18817	0.5
291.19662	100.0
292.20016	7.2
323.12988	0.7
527.28644	4.5
528.29022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
55.29649	0.3
57.03326	0.7
58.00438	0.4
59.01252	9.4
69.03322	0.4
70.88651	0.8
71.00888	0.5
71.01251	5.9
72.99161	0.3
73.02827	1.0
83.01270	0.9
83.04883	0.4
85.02834	1.4
87.00756	0.7
89.02319	3.7
95.01262	0.5
95.04894	0.6
97.06464	0.7
101.02329	5.5
106.50413	0.3
109.06498	0.4
111.08025	2.6
113.02336	2.7
119.03410	1.5
119.04869	0.6
121.10123	1.7
123.08024	0.7
125.09603	2.7
127.11187	1.4
131.03412	0.3
136.77512	0.3
137.09631	0.5
143.03404	0.4
151.11214	0.5
153.12770	1.1
161.04472	1.9
165.12805	0.4
167.10660	0.6
168.79056	0.3
171.10225	0.5
177.12733	0.7
179.05559	0.7
179.10765	0.5
179.14339	0.3
185.11763	2.4
193.15910	0.4
195.13821	2.2
197.11726	0.7
203.14336	0.7
209.11812	0.7
211.13304	0.8
219.17468	0.3
223.13387	0.5
229.19606	0.8
235.08234	0.8
245.19240	0.4
247.13289	0.4
247.17105	0.3
247.18317	0.4
247.20615	2.7
248.21030	0.5
251.87904	0.3
253.09276	20.9
254.09682	0.9
263.20145	6.7
264.20660	0.5
273.18588	5.8
274.18958	0.8
291.19659	100.0
292.19968	9.8
527.28558	4.3
528.28589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12265	2.4
57.03328	3.6
59.01260	13.9
71.01260	19.9
72.99214	4.7
75.00757	25.9
78.95759	3.1
79.95592	2.3
85.02835	18.2
87.00761	7.6
89.02345	3.5
93.27002	2.6
95.01249	3.1
98.19781	7.0
99.00771	13.7
104.79238	2.8
113.02345	25.4
129.01814	2.7
150.95578	2.1
165.18585	2.5
175.02376	3.0
247.98917	2.7
249.06172	25.5
277.21732	100.0
278.22137	9.8
281.17905	2.8
308.32684	3.0
391.21179	2.9
445.23694	7.3
452.69485	2.6
509.27719	4.1
527.28607	76.8
528.29059	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	527.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
57.20018	0.7
59.01251	15.7
61.18746	0.8
61.98697	2.4
65.03827	1.4
71.01250	5.7
71.58903	1.5
73.02819	2.8
85.02789	2.0
87.00745	1.2
89.02303	2.7
93.03339	2.0
95.04901	1.2
99.00781	5.1
101.02321	2.4
105.42403	0.8
107.04881	1.9
108.02056	2.9
108.06676	0.8
109.02840	16.4
109.06481	1.0
111.00750	1.3
113.02337	2.1
119.04936	2.4
120.28085	0.9
121.02843	45.2
122.03123	1.0
123.04408	3.6
125.09615	1.7
133.02850	30.0
134.03185	0.9
135.04422	6.0
136.04825	0.8
145.02893	1.2
146.03638	5.7
149.04485	1.5
151.03879	1.0
171.10187	1.9
177.09134	7.0
178.02615	2.4
185.06012	1.3
185.11743	2.4
189.09132	17.6
190.09435	1.9
191.05521	2.5
201.09154	31.8
201.11052	1.0
202.09479	2.6
209.11781	5.2
219.78487	0.8
223.07455	1.1
225.05312	1.2
225.11229	2.4
233.06000	3.2
253.04996	3.0
253.09248	3.5
254.05803	3.3
267.06662	2.4
279.06555	3.3
279.13892	1.7
282.09149	2.1
291.19690	17.6
292.19867	1.3
323.12875	100.0
324.13232	10.1
483.33102	1.5
527.19067	6.7
527.28046	3.4
528.19275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
57.20018	0.7
59.01251	15.7
61.18746	0.8
61.98697	2.4
65.03827	1.4
71.01250	5.7
71.58903	1.5
73.02819	2.8
85.02789	2.0
87.00745	1.2
89.02303	2.7
93.03339	2.0
95.04901	1.2
99.00781	5.1
101.02321	2.4
105.42403	0.8
107.04881	1.9
108.02056	2.9
108.06676	0.8
109.02840	16.4
109.06481	1.0
111.00750	1.3
113.02337	2.1
119.04936	2.4
120.28085	0.9
121.02843	45.2
122.03123	1.0
123.04408	3.6
125.09615	1.7
133.02850	30.0
134.03185	0.9
135.04422	6.0
136.04825	0.8
145.02893	1.2
146.03638	5.7
149.04485	1.5
151.03879	1.0
171.10187	1.9
177.09134	7.0
178.02615	2.4
185.06012	1.3
185.11743	2.4
189.09132	17.6
190.09435	1.9
191.05521	2.5
201.09154	31.8
201.11052	1.0
202.09479	2.6
209.11781	5.2
219.78487	0.8
223.07455	1.1
225.05312	1.2
225.11229	2.4
233.06000	3.2
253.04996	3.0
253.09248	3.5
254.05803	3.3
267.06662	2.4
279.06555	3.3
279.13892	1.7
282.09149	2.1
291.19690	17.6
292.19867	1.3
323.12875	100.0
324.13232	10.1
483.33102	1.5
527.19067	6.7
527.28046	3.4
528.19275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2138
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.01781	0.6
57.03326	1.7
58.00479	1.2
59.01254	31.0
61.98704	1.2
67.01759	0.8
69.03356	0.8
70.34581	2.4
71.01258	24.5
72.01597	0.6
72.99206	1.7
73.02824	12.8
78.98471	1.0
79.95621	1.7
80.96395	11.1
83.01257	3.0
83.04942	0.8
83.74338	0.6
84.39127	0.6
85.02826	6.1
85.06492	0.9
85.99983	0.7
87.00764	4.7
87.04390	0.7
89.02322	7.6
94.04151	0.8
94.97980	2.2
95.04900	0.9
96.95930	2.0
97.02847	1.0
99.00767	1.9
101.02329	14.8
108.02100	2.4
108.54971	0.7
109.02844	8.7
111.00835	0.9
113.02328	4.5
119.03446	2.2
121.01968	1.1
121.02845	16.2
121.03676	1.1
122.03635	18.9
122.97507	1.4
123.04429	1.4
123.08028	1.6
125.02382	2.2
133.02859	1.3
134.03677	1.4
134.97482	1.1
135.04449	1.6
137.02347	2.0
142.74283	0.6
148.99097	1.4
150.06810	0.8
151.03944	1.5
152.98576	2.0
159.02797	0.6
161.04558	1.1
163.04018	0.7
163.07608	2.7
164.98619	1.9
175.07678	1.3
183.13818	1.2
191.05540	1.1
191.10724	20.3
196.03790	0.7
203.10736	8.3
211.06190	0.9
220.79813	0.7
221.11937	0.7
225.00699	4.0
225.28476	0.7
235.09773	0.8
243.13905	1.7
261.14938	16.0
262.15356	1.8
279.16003	10.2
284.07550	0.7
289.07391	1.7
305.13968	13.5
305.17267	1.1
306.14301	1.4
323.15152	2.2
354.73410	0.8
423.20557	1.8
441.21375	3.8
451.17386	1.3
467.18875	9.0
468.19373	1.0
483.22397	1.0
485.20132	19.4
486.20804	2.6
527.21533	100.0
528.21893	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	523.219
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01759	2.3
57.03324	1.7
58.00470	1.5
58.56272	0.6
59.01251	24.1
69.03384	0.7
69.44183	5.6
71.01254	19.2
72.02105	0.6
72.99190	1.3
73.02833	4.5
75.00761	1.1
78.95772	1.5
83.01270	3.3
85.02823	7.8
87.00762	2.0
89.02315	8.7
93.03336	0.8
95.01290	2.1
96.95889	19.0
96.96799	3.8
97.02853	0.9
98.02387	1.2
99.00780	2.9
101.02323	15.5
107.74911	0.6
108.02076	1.1
109.02821	4.6
111.00764	0.8
113.02323	5.7
119.03385	4.2
119.04903	1.0
121.02840	11.6
122.03644	10.4
123.04461	2.3
124.01565	0.7
125.02357	0.6
125.27415	0.6
134.03653	1.2
135.04482	3.0
136.05199	1.0
137.02380	1.7
147.04408	7.3
148.05170	1.2
149.06053	0.7
154.02617	1.0
159.02869	0.8
161.04489	1.1
161.06029	2.3
162.06773	0.9
163.03937	0.7
163.25813	0.6
165.05495	23.6
166.05818	1.2
173.79469	0.5
175.07558	0.9
176.08353	0.6
177.05376	0.6
179.07054	7.8
191.07065	2.1
200.06598	0.6
209.11777	1.3
223.09702	0.9
288.37750	0.7
298.12265	1.1
313.14572	1.9
315.12347	2.7
328.13232	2.1
329.13831	1.3
343.15445	5.6
346.14197	10.4
347.14957	2.4
361.16556	100.0
362.16849	10.2
391.23199	1.3
523.21796	98.0
524.22235	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	523.2192
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01749	0.3
59.01264	2.9
61.82059	0.3
69.40462	2.7
70.47249	0.5
71.01257	2.7
73.02818	0.8
80.32594	0.4
83.01231	0.4
85.02830	2.2
89.02314	0.6
93.03327	1.2
97.05494	0.3
99.00742	0.7
101.02324	1.3
102.78506	0.3
108.02034	0.7
108.04458	0.5
109.02837	4.7
111.00809	0.5
111.04371	0.4
113.02330	1.0
121.02847	13.8
122.03642	12.1
122.04269	0.2
123.04479	2.1
124.01563	1.3
129.01921	0.7
129.03349	0.8
134.03630	0.9
135.04433	2.5
136.01563	0.5
136.05182	1.3
137.02379	3.1
142.30727	0.4
146.03638	0.4
147.04434	6.3
148.05154	0.9
149.05969	1.0
149.67134	0.4
151.03940	0.5
153.01917	0.4
154.02611	1.6
161.04474	0.7
161.05980	2.3
162.06754	0.4
163.03943	0.6
164.04713	1.0
165.05495	28.1
166.05824	1.3
173.05888	0.4
175.07571	0.5
178.06302	0.7
179.07059	9.3
191.05499	0.4
191.07059	0.6
209.08136	0.9
220.53499	0.3
223.09724	1.2
239.07043	0.6
285.11353	0.4
298.12125	0.7
313.14404	1.2
315.12415	3.0
316.13110	0.7
346.14197	11.5
347.14462	1.1
361.16568	100.0
362.16888	10.0
405.24695	0.4
523.27789	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	523.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	1.4
59.00948	2.1
59.01249	33.8
59.58623	1.1
69.38773	8.3
69.39188	2.9
71.01247	14.9
73.02816	10.6
74.99485	1.3
77.80662	1.2
80.96423	1.8
83.01254	3.9
85.02839	3.4
87.00755	1.6
89.02327	13.1
93.03357	1.3
95.01236	1.7
96.95920	1.5
97.02844	1.4
99.00766	11.3
101.02325	8.5
113.02346	7.0
115.87109	1.3
119.04921	1.3
125.02341	2.2
131.03329	2.1
135.04349	1.8
143.10681	100.0
144.10994	5.0
145.35959	1.2
149.04488	8.1
150.06779	1.2
152.98621	1.4
157.12276	3.8
161.04465	1.4
185.11765	6.0
191.05592	4.1
203.05551	3.3
215.12898	2.0
227.12866	6.0
234.56474	1.2
307.16605	1.1
335.66602	1.2
349.22360	1.7
478.75641	1.5
481.26605	1.9
502.33548	1.2
523.18103	4.6
523.27142	3.9
523.34570	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	8.2
59.01251	95.2
59.03737	2.7
60.01588	5.7
71.00887	5.3
71.01254	58.9
71.01621	5.5
71.57819	3.6
72.01586	5.2
72.99185	5.7
73.02818	29.8
75.00754	11.6
80.97065	2.8
83.01264	13.6
83.61419	3.0
85.02827	34.0
85.55823	2.6
86.03154	3.0
87.00755	8.3
88.29897	3.0
89.02319	35.1
90.02687	5.4
91.81023	2.7
95.01292	4.5
96.01588	3.2
96.95924	4.8
99.00773	30.5
100.01061	3.2
101.02325	41.5
102.02673	6.2
103.02797	4.0
109.02827	4.1
111.00765	6.4
112.01557	2.8
113.02344	28.3
114.02730	4.5
119.03382	11.6
125.02354	8.5
129.01849	8.9
131.03394	4.9
137.02336	4.2
143.03378	3.9
148.03877	3.1
149.04527	4.8
151.03893	3.6
159.02933	3.9
161.04501	16.3
162.04829	4.1
167.03445	6.5
191.05545	7.4
192.05927	4.0
203.05614	3.1
205.03497	4.3
389.21918	6.4
390.22235	9.7
391.22519	19.6
393.92709	3.5
437.20532	4.8
459.83124	3.1
479.21683	7.1
481.22983	3.8
518.16077	3.8
522.26361	22.3
523.15057	4.9
523.26862	100.0
524.26898	4.6
546.41071	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.9
57.03331	4.5
58.00476	2.6
59.01255	100.0
60.01604	1.3
61.98671	1.5
69.03348	2.9
70.99544	1.2
71.01257	68.8
71.04881	1.3
71.59248	2.2
72.99181	4.6
73.02824	34.5
75.00761	1.4
83.01254	11.5
85.02829	23.1
87.00779	4.2
89.02317	28.5
89.02831	2.1
93.03323	2.0
95.01297	5.4
96.95926	1.7
97.02874	2.5
97.06470	1.2
99.00761	8.3
101.02325	55.6
102.19807	1.4
108.02074	2.9
109.02853	2.6
111.00774	2.3
113.02339	32.7
114.02716	1.4
119.03390	17.9
119.04932	5.2
125.02327	2.4
127.22060	1.2
131.03409	3.3
135.04416	2.2
137.02298	1.5
143.03429	6.6
149.04424	1.4
149.06026	2.2
159.02960	2.6
161.04488	12.8
164.04617	1.1
167.10728	1.4
179.05527	5.8
185.06050	5.0
191.05635	3.7
201.14923	3.4
229.22527	1.2
299.16586	1.6
302.65793	1.1
341.27249	2.5
347.20673	3.4
359.15128	2.1
359.24628	1.2
359.28073	33.2
360.28561	4.3
374.43469	1.2
461.21744	5.7
476.65710	1.4
479.22751	6.7
521.26508	4.0
521.33478	85.8
522.33948	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	523.1771
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
50.66278	1.2
55.27480	1.4
61.64812	1.4
70.62525	2.8
71.01261	5.1
77.91161	1.3
78.95779	71.0
87.81827	1.3
96.96849	1.6
99.92466	22.4
110.98409	12.6
115.91965	17.6
116.92738	16.1
150.97949	2.4
164.99516	7.8
167.01079	6.0
178.88365	5.3
179.89145	24.3
180.89926	18.3
181.90681	4.5
193.90729	37.5
194.91521	20.7
196.89423	91.3
197.89455	2.9
210.91000	10.0
234.90927	1.5
235.91847	1.8
236.92596	1.9
248.92630	4.2
249.93346	5.4
250.94096	3.3
252.92084	4.9
255.23317	10.3
266.93683	5.7
267.94482	3.4
291.39758	1.5
355.15891	3.2
475.15833	2.9
505.16943	2.1
523.17725	100.0
524.18066	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03317	1.1
58.00448	0.5
59.01253	22.6
61.98695	0.5
69.03303	0.5
71.01258	11.3
72.99173	1.2
73.02812	2.6
74.74600	0.3
83.01263	1.9
85.02822	4.6
87.00751	1.5
89.02317	4.3
93.03345	0.8
95.01265	1.6
97.02803	0.4
98.19818	0.8
99.00766	1.5
101.02327	7.6
108.92294	0.4
111.00764	0.5
113.02335	3.9
119.03384	1.0
119.04910	2.1
125.02328	0.6
137.09563	0.4
149.09579	0.6
157.08679	0.4
161.04538	0.3
185.09558	0.6
281.15289	0.7
299.16541	2.7
313.23798	2.8
341.26999	5.1
359.28009	21.9
360.28311	2.8
461.30988	0.5
487.90027	0.4
503.32281	1.6
521.33319	100.0
522.33624	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	521.2609
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
52.28288	1.4
52.46014	1.5
57.03329	3.1
58.00459	2.2
59.01256	68.3
69.03346	2.0
69.30906	11.1
69.31310	3.9
71.01257	53.8
72.99198	4.0
73.02827	24.7
74.98997	1.5
75.00729	2.0
83.01259	4.8
85.02828	18.9
87.00767	3.7
89.02324	49.4
93.03356	2.5
95.01245	7.5
96.95905	2.5
99.00761	84.4
100.01068	1.5
101.02323	23.1
108.02063	1.8
109.02856	6.3
111.00780	2.0
113.02338	37.9
119.03400	9.3
119.04914	2.4
121.02840	2.1
123.04382	3.1
125.02334	4.3
131.03363	8.6
135.04433	5.7
136.01547	10.5
136.02400	1.3
137.02361	5.5
143.03430	3.3
147.04503	1.5
149.02580	1.7
149.04471	34.2
150.03178	2.4
151.00313	3.6
151.03925	19.3
153.01892	1.7
153.09137	3.3
159.03027	1.5
159.04413	2.6
161.04488	16.3
161.05872	2.8
165.05540	1.7
177.01820	2.5
179.05611	3.7
191.03760	2.1
191.05554	33.9
193.05074	1.4
197.11873	1.8
205.03554	1.8
227.07240	2.3
227.16402	3.4
233.06645	8.5
271.06183	4.4
272.06558	1.6
293.08685	2.7
296.10379	2.0
311.13004	3.3
317.10095	2.2
329.13980	15.8
347.17166	1.7
359.15100	5.3
389.21783	13.3
390.21841	1.9
474.32239	1.6
521.26172	100.0
522.26337	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	521.2607
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01735	1.4
57.03328	2.6
58.00457	1.7
59.01252	61.7
60.01575	3.0
60.38573	1.0
61.98704	23.6
67.33183	0.9
71.01257	40.8
71.12904	2.4
71.13220	1.0
72.99168	3.3
73.02819	22.2
74.03168	1.0
83.01263	4.0
85.02827	16.9
87.00746	4.2
89.01754	1.8
89.02314	37.9
95.01254	5.5
99.00757	73.7
100.01075	1.3
101.02322	21.5
113.02330	32.0
119.03375	5.6
119.04913	1.3
125.02326	3.8
131.03394	8.4
134.03619	1.6
135.04402	3.9
137.02304	2.4
143.03377	2.4
147.02878	1.1
149.02480	1.2
149.04446	19.5
149.05917	3.7
150.06361	1.4
151.03929	2.7
153.09131	3.9
159.02930	1.5
161.02406	1.3
161.04483	14.0
161.05847	2.2
179.03445	1.9
179.05524	3.3
179.07018	1.6
181.12297	2.1
191.05550	21.2
193.04906	2.9
207.10187	3.9
209.15332	2.1
223.09634	1.2
225.11238	7.1
233.06628	4.6
237.11153	0.9
239.16473	2.1
253.09203	2.0
255.19684	1.6
257.17575	3.3
301.47205	1.0
348.02432	1.2
359.14987	1.0
359.21051	1.3
359.27908	2.2
380.48862	1.1
389.21860	4.3
401.21909	1.6
405.24933	1.3
419.22833	3.6
450.39581	1.1
461.20273	4.6
479.24860	1.7
521.26056	100.0
521.33020	6.9
522.26300	13.5
522.33417	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	521.2604
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
51.42145	1.2
55.01745	6.5
57.03312	4.7
58.00456	4.4
59.01252	86.5
60.01590	1.1
66.22749	1.2
69.03325	1.2
69.72650	8.1
71.01256	98.3
72.99185	5.3
73.02821	32.9
75.00756	2.0
83.01267	9.8
85.02821	38.2
87.00736	4.0
89.02318	57.0
95.01248	7.8
97.02801	1.9
98.20519	2.2
99.00759	60.6
101.02325	53.2
111.00779	2.4
112.01572	1.4
113.02328	51.3
119.03395	14.1
122.36022	1.4
125.02320	2.6
127.56724	1.1
131.03404	5.5
143.03375	4.5
149.04451	14.3
151.76083	1.1
159.02893	2.7
161.04465	18.9
179.05530	4.8
180.36691	1.2
191.05569	15.8
195.13704	1.3
225.14902	2.1
233.06604	2.8
246.86679	1.3
293.08679	1.8
313.34241	1.2
389.21780	22.3
390.22168	2.1
521.26019	100.0
522.26355	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	521.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40778	0.5
55.01768	3.1
57.03324	2.7
58.00465	1.5
59.01253	46.1
69.03329	0.6
69.83918	3.3
71.01257	51.5
71.04898	1.3
72.99194	2.8
73.02822	17.8
75.00756	1.3
83.01259	5.7
85.02824	20.1
86.49638	0.5
87.00748	2.4
89.02320	30.9
95.01270	4.5
97.02797	1.2
98.19820	0.7
99.00757	28.0
99.04339	0.5
101.02327	28.5
102.02646	0.6
109.02824	1.3
111.00785	1.4
113.02339	24.7
114.02690	0.6
119.03381	7.1
125.02344	2.3
129.54364	0.6
131.03423	4.2
135.04425	1.8
139.07593	0.8
143.03416	3.0
149.04474	14.0
149.05672	1.2
151.03876	0.7
155.10698	5.1
159.02907	2.3
160.06935	0.5
161.02374	0.9
161.04468	17.1
161.05821	0.9
162.94960	0.5
179.05501	2.3
191.05545	10.8
202.58058	0.6
203.05522	0.7
225.14890	0.6
227.07062	7.1
227.16478	10.7
228.16844	0.6
233.06659	2.4
293.08737	0.9
323.55130	0.6
385.10422	0.7
389.21841	23.1
390.22092	1.6
510.44095	0.6
521.26025	100.0
522.26453	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	521.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63497	0.8
55.01756	1.6
55.49933	0.8
56.37710	0.9
56.88313	0.8
57.03325	3.2
57.33175	0.7
58.00473	1.2
59.01254	38.1
63.91629	0.7
69.89822	4.8
71.01257	49.8
71.04884	2.3
72.99181	2.8
73.02438	1.4
73.02826	15.8
75.00737	1.7
79.25063	0.8
83.00832	1.2
83.01245	6.7
85.02829	18.5
87.00758	2.3
88.11958	0.9
89.02321	23.8
95.01273	4.6
95.04937	1.0
97.02863	1.6
99.00748	15.0
101.02325	27.6
102.02681	0.8
104.71342	0.8
106.30234	0.8
109.02857	3.9
109.06500	1.2
111.00768	1.3
112.01592	1.0
113.02335	18.9
119.03395	6.7
123.08054	1.0
125.02299	1.7
127.07571	2.0
131.03371	1.6
139.07541	3.2
143.03416	2.1
149.04443	4.4
153.09117	2.8
155.10690	11.2
159.02901	2.7
159.04277	1.5
159.57533	0.9
161.04471	13.8
163.11102	0.9
173.06075	1.4
179.05586	4.4
189.05545	1.4
191.05490	2.9
209.15373	1.3
227.16454	11.9
241.05058	2.3
255.06703	2.1
299.09402	1.5
313.10916	2.5
329.10522	1.1
344.12622	8.8
359.15042	24.1
360.15414	2.1
389.21838	16.1
390.22076	1.7
433.21042	1.9
521.26050	100.0
522.26270	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	521.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17773	0.8
58.00958	0.9
59.01254	100.0
60.01577	1.2
65.84528	0.8
71.01252	8.1
71.07019	1.3
71.07370	1.7
73.02847	1.1
73.93412	1.0
85.02816	2.0
89.02319	2.1
92.24905	1.1
93.03334	2.6
101.02319	2.8
106.04141	4.6
113.02335	3.4
123.58203	0.8
147.21867	0.8
149.04858	1.2
149.05998	21.2
149.09612	3.8
150.06326	2.0
159.02879	1.2
161.04474	6.9
175.11232	9.1
185.09644	1.7
185.30286	0.9
262.87955	0.9
281.15366	3.4
299.16519	18.1
300.16782	1.7
351.31946	0.9
376.36240	0.9
521.32776	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	521.2032
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01755	3.6
55.23222	1.1
57.03316	3.7
58.00465	3.3
59.01253	64.1
69.58301	2.2
69.58709	5.8
71.01255	54.5
72.99186	3.7
73.02818	14.0
75.00729	1.3
83.01256	6.4
85.02824	22.9
87.00744	4.0
89.02320	29.9
95.01260	4.0
98.19736	1.1
99.00761	16.6
101.02329	37.4
102.02684	1.2
105.01828	1.3
108.02042	1.8
109.02847	15.3
111.00745	2.1
113.02331	24.4
119.03384	11.8
121.02892	1.1
123.04409	3.2
124.01496	1.7
125.02331	3.6
129.01851	1.2
131.03398	2.3
137.02327	1.6
139.03935	1.9
143.03442	2.3
149.04443	7.2
151.03917	1.5
159.03049	2.1
159.04416	6.1
160.04822	1.1
161.02345	2.4
161.04489	8.6
161.05769	2.0
172.05238	1.8
173.05998	6.6
175.35214	0.9
177.85115	1.0
179.03421	1.1
184.05197	2.5
185.06023	9.4
187.07613	1.5
189.05496	3.4
191.05518	6.9
191.07062	2.3
193.05025	1.0
197.11778	2.6
203.07033	3.3
219.10150	1.3
227.07098	4.0
227.16464	4.0
233.06619	2.5
240.04163	1.3
241.05040	7.5
242.05673	1.2
253.04924	1.3
255.06609	5.4
267.06525	1.7
268.07483	1.6
269.08246	2.0
281.08136	1.8
295.09738	2.9
296.10419	2.2
299.09247	6.6
311.09244	6.9
313.10849	10.8
326.11569	5.5
327.12234	2.0
329.10153	3.5
341.13779	7.0
343.11771	2.9
344.12616	31.9
345.12921	3.5
359.14990	89.4
360.15402	8.8
389.21796	13.4
390.22150	1.7
521.20172	100.0
521.26263	38.9
521.85858	1.1
522.20447	15.2
522.26617	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07248	0.5
57.03329	0.6
59.01255	7.3
60.47488	0.5
63.84963	0.6
69.46558	1.0
69.46960	4.1
71.01254	5.5
73.02818	2.6
85.02813	2.4
89.02306	1.5
93.03347	0.9
96.01619	0.5
96.67624	0.5
99.00780	1.0
101.02330	2.5
109.02824	1.2
110.75048	0.5
113.02325	2.4
121.02844	4.9
122.03622	1.5
123.00773	1.0
123.04427	1.0
124.01584	1.2
132.02905	0.7
134.21013	0.6
135.04442	0.5
136.05174	1.4
137.02328	1.8
137.06020	0.8
137.09587	1.3
143.04970	1.3
147.04401	2.3
149.02356	1.7
150.03146	4.9
151.03894	0.9
152.12122	0.5
158.03659	3.3
159.04436	11.2
160.05209	34.1
161.04510	0.9
161.05971	8.9
161.99287	0.5
162.06450	0.8
163.03925	5.1
164.04697	5.8
170.07758	0.5
173.05995	4.3
175.07568	28.6
176.04784	0.8
176.07918	1.3
177.05487	7.4
178.06281	9.4
181.08617	1.0
184.05237	2.1
185.06001	14.7
186.06346	0.8
188.48805	0.5
192.07848	1.7
193.08658	3.0
197.11754	2.1
202.52776	0.5
241.10724	1.1
314.11536	0.9
329.13925	100.0
330.14270	9.5
359.14703	2.5
398.94406	0.6
479.15396	0.7
521.21631	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	521.2029
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01751	2.9
57.03298	3.3
58.00456	2.1
59.00959	2.4
59.01254	47.2
64.17628	1.0
66.33360	1.2
68.01268	1.3
69.03301	1.2
69.46794	6.4
69.47202	2.8
71.01254	37.1
72.99161	3.1
73.02821	7.9
76.42151	1.1
79.55585	1.0
83.01266	5.2
85.02827	13.1
85.21098	1.2
87.00729	4.4
89.01824	1.7
89.02322	20.6
95.01243	2.8
96.95900	1.3
97.02821	1.2
98.20651	2.0
99.00776	7.1
100.85612	1.0
101.02326	25.6
108.02022	1.7
109.02846	10.9
113.02330	14.0
119.03388	6.7
121.02794	1.6
123.04410	1.5
125.02324	2.4
135.04442	1.7
137.02309	2.5
143.03345	1.3
149.04417	1.6
159.04388	4.1
161.04475	2.3
173.05954	4.8
185.06010	10.4
187.07579	2.2
189.05447	4.2
190.06291	1.4
191.05524	2.1
203.06956	1.7
217.08714	1.3
225.05424	1.4
240.04230	1.3
241.04990	6.2
245.43910	1.1
253.04990	1.3
255.06534	5.0
265.08444	1.3
267.06671	2.3
269.08273	1.7
281.08075	3.0
295.09653	2.3
295.43173	1.3
299.09317	5.2
311.09143	4.0
312.09750	1.8
313.10889	9.9
326.11502	5.2
329.10309	2.6
329.13861	4.6
341.13885	4.6
344.08575	1.8
344.12637	24.8
345.13013	3.7
359.14999	64.4
360.15344	6.7
389.21735	2.2
440.44571	1.4
521.20081	100.0
521.25769	7.5
522.20636	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70943	1.5
55.01765	2.1
57.03314	3.6
58.00459	3.9
59.01254	100.0
61.98649	1.1
62.11596	1.2
62.48656	1.0
69.03315	1.3
69.70869	2.0
69.71281	7.4
71.01256	70.0
72.01581	1.7
72.99176	5.6
73.02816	6.4
75.00740	2.6
83.01255	4.6
85.02824	15.7
86.02366	1.1
87.00753	6.2
88.98691	1.3
89.02319	70.4
93.03342	2.3
95.01261	4.4
97.02812	2.5
99.00755	6.6
101.02322	38.4
108.02068	3.0
109.02816	5.1
113.02336	27.6
119.03391	30.2
121.02830	3.6
122.03648	2.3
123.04395	3.5
124.01548	1.6
125.02367	6.9
130.19907	1.1
131.03391	6.2
133.02820	1.7
135.04405	4.7
136.01535	4.7
137.02316	4.9
140.46141	1.5
143.03391	6.2
149.02354	1.7
149.04433	3.5
149.06056	1.3
151.03903	12.4
159.04384	3.4
160.05225	6.1
161.02388	2.0
161.04456	7.7
161.05737	2.1
165.01785	3.3
165.05498	2.1
172.05215	4.7
173.05984	3.1
175.07576	3.8
178.02644	1.3
179.03360	1.9
179.03954	1.6
179.05521	13.0
187.07521	2.4
189.05493	7.6
190.06342	5.9
191.03879	1.2
191.05556	4.7
196.03690	2.7
205.08585	5.9
227.07033	2.0
281.08170	2.9
284.03268	3.3
296.10486	3.9
299.05545	5.2
311.12814	4.7
317.10278	4.0
329.13779	7.4
341.13919	25.2
342.14270	2.3
348.70859	1.4
359.15216	3.4
389.21921	1.4
461.23309	2.0
479.23901	1.3
521.13013	3.2
521.20197	4.0
521.26062	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	12.7
58.86765	1.6
59.01255	27.0
69.88071	1.4
71.01254	13.6
73.02825	4.5
80.57224	1.6
81.03336	1.8
83.01259	4.0
85.02828	7.1
87.00785	1.8
89.02319	5.9
92.63213	1.4
93.03321	2.4
99.00772	3.7
101.02332	9.0
108.02074	4.6
108.36685	1.5
109.02837	16.2
113.02316	6.0
113.59948	1.4
119.04921	1.9
121.02788	2.9
123.00758	3.6
123.04392	3.7
124.01526	4.9
125.02338	66.9
126.02685	1.9
132.04454	4.8
134.03665	2.4
135.04399	6.3
136.01576	45.8
137.02321	6.8
141.05470	1.6
143.03369	1.7
144.09842	1.6
149.02315	2.3
149.04362	1.6
149.05995	2.8
150.03119	1.5
151.03918	83.8
152.04288	3.7
153.01852	11.5
161.02339	1.6
161.04648	2.2
161.06006	8.0
162.06784	3.1
163.03912	4.3
176.03891	3.5
177.01872	5.4
177.05475	5.0
179.03429	3.9
179.05443	1.4
191.03442	5.2
191.05522	6.3
191.07051	2.4
210.74345	1.6
227.07185	2.4
229.46359	2.1
256.09775	2.8
281.08994	6.6
296.10571	8.8
299.05551	2.6
299.10345	7.8
311.12784	8.4
314.11609	6.0
317.06641	2.5
329.13947	100.0
330.14069	8.9
359.10693	2.7
359.15009	38.6
360.15170	5.2
511.14108	1.8
511.21725	1.7
521.13611	1.5
521.18280	1.4
521.26672	10.1
521.33398	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	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29300	0.2
53.65130	0.2
59.01261	0.4
62.96281	0.2
64.55665	0.2
67.05753	0.2
71.13674	0.2
71.13988	0.5
78.95779	44.5
96.77200	0.3
96.96840	5.6
106.50928	0.2
111.24702	0.2
138.71597	0.2
150.97966	1.9
152.99495	100.0
153.99847	2.1
171.00558	4.3
269.88776	0.2
279.23364	1.2
291.19614	0.3
433.23593	20.6
434.23947	2.1
475.41000	0.3
520.26740	2.7
521.27197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77036	0.2
54.43727	0.3
55.01746	0.3
57.66368	0.2
57.74196	0.2
58.98681	0.2
59.01255	11.9
60.01587	0.4
61.01692	0.3
61.98688	0.4
71.01257	6.9
71.58530	0.3
72.99164	0.3
73.02821	4.0
77.43169	0.2
83.01262	0.9
85.02841	2.2
87.00756	0.4
89.02319	2.2
93.03367	0.3
97.02904	0.4
99.00754	3.8
101.02326	3.9
108.02054	34.2
109.02399	1.0
113.02331	4.5
119.03368	0.3
120.01154	0.3
121.02867	0.4
123.04441	0.3
125.02325	0.6
126.13584	0.2
127.03893	0.2
131.03406	0.4
135.04388	0.7
137.02367	0.6
143.03410	0.5
149.04517	0.4
157.06485	1.5
161.04459	1.2
162.06725	0.4
175.03773	0.2
179.05542	0.4
184.05254	0.9
185.06006	100.0
186.06360	5.8
191.05553	0.9
203.05479	0.3
272.97064	0.2
273.03979	0.3
299.12842	0.3
317.14001	0.5
347.11249	0.5
347.20584	0.5
358.26526	0.4
359.28009	0.4
389.12326	1.5
450.22073	0.2
479.15506	8.4
479.23941	0.5
480.15762	1.2
521.16577	7.5
521.24847	0.5
521.33240	1.2
522.16956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33000	0.2
55.64389	0.2
69.47327	2.0
78.95780	46.4
96.96850	6.1
99.46555	0.3
102.74465	0.3
105.51465	0.2
111.01523	0.3
143.11060	0.2
150.97894	1.6
152.99498	100.0
153.99832	1.7
156.15376	0.2
164.53674	0.3
171.00575	4.1
207.03207	0.2
224.52864	0.2
225.98186	0.3
240.02655	0.3
258.08893	0.3
279.23294	0.8
326.83865	0.2
433.23615	19.6
434.23938	2.1
436.70734	0.3
520.26508	2.5
521.27032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3174
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01754	0.5
57.03313	1.1
57.26744	0.5
58.00467	0.8
59.01255	20.2
67.35865	0.5
69.34473	2.5
69.34898	2.4
71.01254	11.5
72.99188	1.7
73.02831	2.6
83.01269	1.6
85.02826	5.1
87.00756	1.1
89.02327	6.0
95.01271	1.5
98.20565	1.1
99.00752	1.5
101.02320	6.7
109.02877	0.6
112.53889	0.5
113.02344	4.0
117.04002	0.5
117.75987	0.5
119.03399	1.9
125.02324	0.7
135.04407	1.0
146.01859	0.5
149.04489	0.7
158.52222	0.5
161.04507	0.5
183.06689	0.6
185.11752	1.7
191.05560	1.2
192.57307	0.5
255.18637	0.5
297.24380	0.8
309.24472	1.3
327.25443	4.5
339.25412	8.5
340.25732	0.7
347.85153	0.5
357.16534	1.0
357.26468	16.6
358.26904	1.7
457.26617	0.6
501.31122	0.6
519.31763	100.0
520.32123	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	519.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
55.53745	0.5
57.03319	1.0
58.00468	0.6
59.01252	21.3
61.98654	0.5
71.01254	12.3
71.58570	0.5
72.01532	0.5
72.99177	1.4
73.02819	3.6
78.43935	0.4
83.01244	2.4
83.75452	0.5
85.02821	4.7
87.00764	1.5
89.02323	5.1
95.01278	1.1
97.02827	0.6
99.00751	1.3
101.02322	8.1
106.04140	0.5
109.02833	1.0
111.00761	0.6
113.02323	3.7
118.47810	0.5
119.03430	0.8
121.02836	2.3
123.04434	0.5
125.02325	1.0
127.73112	0.5
135.04395	1.2
149.09595	0.6
161.04456	1.2
165.05463	2.7
185.11749	0.8
191.05627	0.7
226.82188	0.5
239.08229	0.6
254.52425	0.5
259.53308	0.5
260.11160	0.6
275.16513	0.5
297.14938	1.3
309.24512	0.5
311.22205	1.7
315.16095	1.8
315.54242	0.6
321.24371	0.5
327.25446	3.1
334.92130	0.4
339.25363	5.8
341.26889	0.5
357.26450	19.8
358.26828	2.1
501.30823	1.7
519.31769	100.0
520.32135	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	519.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24605	0.5
55.01752	0.6
59.01253	100.0
60.01599	0.9
71.01251	6.2
71.37896	0.6
71.38239	0.6
73.02832	1.8
75.11874	0.4
83.01281	1.1
85.02837	1.8
89.02332	1.9
95.01297	0.7
100.89573	0.4
101.02325	3.9
101.05974	0.6
113.02335	2.3
116.55034	0.5
119.03368	0.9
135.04475	0.7
145.26154	0.4
154.82239	0.5
161.04520	1.9
210.88486	0.5
255.19650	0.6
264.57550	0.5
265.58041	0.5
297.20825	0.9
399.23819	9.3
400.24417	0.8
406.56714	0.7
417.24966	10.3
417.30081	0.7
418.25476	0.8
459.26477	1.3
460.26920	0.5
519.31964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40082	0.4
58.28973	0.5
59.01252	100.0
60.01608	0.7
69.35200	2.0
69.35628	2.7
71.01255	4.9
73.02829	1.9
85.02813	2.3
87.00758	0.8
87.04392	0.6
89.02341	1.5
89.90261	0.6
90.05116	0.4
95.01318	0.5
99.00768	1.1
101.02345	3.4
109.02821	0.7
113.02345	4.4
119.04909	3.1
135.04401	2.2
135.97188	0.5
149.02351	0.5
159.04414	0.8
161.04482	2.1
182.41879	0.5
219.10168	0.6
235.09782	1.1
236.19897	0.5
237.11192	0.7
357.16409	1.5
381.20459	0.6
386.28754	0.6
399.23904	11.4
400.24219	1.4
415.16968	0.5
417.24777	3.9
459.26205	1.5
486.27805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.9
57.03320	2.0
59.01252	46.8
60.01579	1.8
61.98679	1.7
65.32698	1.2
69.03342	1.2
69.92974	3.5
69.93394	2.9
71.01254	20.5
71.04901	1.9
72.99194	2.5
73.02825	8.6
75.00758	1.2
83.01264	2.9
84.24614	1.5
85.02821	5.5
87.00774	1.6
89.02315	8.5
91.05399	1.4
93.03375	1.6
96.95911	2.8
98.20478	1.3
101.02319	14.1
106.04128	1.5
107.04907	1.3
109.02824	4.4
110.24563	1.1
113.02335	8.3
119.03394	3.0
121.02828	7.4
123.04356	1.4
125.02299	3.5
135.04425	19.9
143.03348	1.8
151.03902	3.7
161.04518	6.0
164.04716	1.3
167.10660	2.4
175.11232	3.8
179.14256	2.6
183.08054	4.0
185.37418	1.1
191.05583	2.4
191.07140	1.6
193.08614	1.1
193.24658	1.2
195.13896	7.3
197.48029	1.2
199.13187	2.1
200.23802	1.1
203.10677	2.2
205.08659	3.3
205.12253	8.9
219.10298	7.0
223.13344	100.0
224.13722	4.5
227.27592	1.1
244.08142	1.1
253.09256	24.4
255.45393	1.2
288.09723	1.3
297.11371	1.3
297.14883	2.0
315.12476	1.9
325.14346	2.3
327.25443	1.4
339.16098	2.2
339.25406	3.3
342.14679	3.2
356.16193	3.5
357.13135	1.3
357.17120	23.1
357.26422	17.9
358.17560	1.8
359.27829	1.4
375.27374	2.8
459.22162	10.0
519.31720	50.1
520.24640	1.3
520.32324	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.4
57.03317	3.1
58.00462	4.3
59.01252	63.3
69.03329	0.8
69.19577	0.8
71.01254	68.0
72.99181	4.8
73.02819	18.2
75.00743	1.2
82.21252	0.7
82.83753	0.7
83.01250	6.5
85.02824	23.2
87.00734	4.3
89.02317	46.9
90.02635	1.1
95.01255	6.2
97.02837	1.3
98.19763	1.7
99.00755	35.0
100.01072	0.9
101.02326	34.2
109.02846	1.1
109.48338	0.8
113.02329	30.3
119.03388	12.5
123.04414	0.9
123.07955	1.1
125.02330	3.1
129.01866	0.9
131.03401	4.7
135.04367	1.0
137.02400	0.9
143.03410	4.5
143.04410	0.9
148.05180	1.2
149.04466	9.3
151.03900	2.0
152.04335	0.8
153.01846	1.4
153.09145	1.7
159.02937	2.8
161.04465	17.2
163.07573	1.3
165.05501	1.1
168.04213	1.7
179.03387	0.9
179.05595	4.0
181.05040	1.4
181.08714	1.1
181.12202	1.3
183.06557	1.3
183.09073	1.0
188.39479	0.9
189.12764	2.5
191.05519	9.9
195.06577	1.1
207.02994	1.6
207.13873	1.4
225.14934	7.1
226.15424	1.0
233.06651	2.1
269.23331	0.8
292.84094	0.8
379.15170	0.8
387.20258	45.2
388.20554	2.9
427.14459	0.9
492.66736	0.9
519.24481	100.0
520.24768	12.2
539.07196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
50.03538	0.5
55.01757	2.5
57.03322	5.5
58.00465	1.2
59.01254	38.2
60.01571	0.8
64.47923	0.5
69.03340	0.9
71.01255	51.1
71.04886	1.1
71.12126	1.3
72.01639	0.5
72.99171	2.9
73.02822	15.2
75.00751	1.1
83.01263	4.8
85.02824	21.1
87.00755	2.8
89.02322	24.9
93.03348	0.6
95.01263	4.9
95.04897	1.3
96.95870	1.0
97.02849	2.3
99.00759	22.9
101.02328	24.7
102.02674	0.6
109.02844	1.3
109.06479	0.7
111.00770	1.5
111.04430	1.2
112.01521	0.8
113.02336	23.4
114.02705	0.8
119.03391	5.6
123.08042	1.2
125.02357	1.8
129.01828	0.9
131.03409	2.6
135.04390	0.7
135.08035	0.6
137.02260	0.5
137.06006	0.7
137.09618	1.6
138.06766	12.4
139.00304	0.6
139.03918	0.5
143.03412	2.1
148.03925	0.7
149.04457	6.0
151.07570	0.7
153.09119	36.5
154.09448	1.6
159.02927	2.3
161.02458	0.9
161.04466	22.1
161.05826	1.1
162.04724	0.7
163.11287	0.8
165.01704	0.6
165.05463	0.7
165.09129	1.1
174.99724	0.6
175.79872	0.6
179.05518	2.2
182.57138	0.7
185.06137	0.6
191.05540	6.5
195.13864	0.7
205.03514	0.9
207.13849	4.4
225.14915	47.6
226.15242	3.4
228.26282	0.5
233.06624	0.8
234.61253	0.6
242.88980	0.5
257.83301	0.5
269.69379	0.6
293.08740	0.8
336.10968	0.7
337.16278	0.7
380.43182	0.6
387.20386	18.4
388.20761	1.1
399.04755	0.7
425.92334	0.5
431.19351	1.5
475.15607	0.7
519.24530	100.0
520.25012	9.7
544.42084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03327	2.7
59.01254	100.0
69.61533	9.8
71.01254	21.1
72.99167	2.3
73.02822	7.0
74.02355	3.5
77.63386	1.1
81.00082	1.4
83.01271	2.9
83.04889	2.0
85.02821	9.7
87.00746	2.7
89.02309	6.7
93.03345	5.3
95.04894	1.3
96.95903	2.2
98.19784	1.5
99.00766	3.6
101.02325	12.8
106.04124	3.0
107.04882	1.8
109.02770	1.7
110.35479	1.1
113.02326	10.3
119.03393	1.4
119.04908	11.5
119.08566	1.9
121.02878	2.5
123.04436	1.9
124.31972	1.2
125.02322	3.1
128.03500	1.5
133.02817	1.9
133.04973	2.0
133.06487	2.1
135.04411	4.9
135.08031	2.2
137.02347	2.3
137.09653	1.7
147.08076	41.1
148.08453	2.1
149.05994	78.1
150.06406	2.2
151.03912	3.9
159.02885	2.4
161.02336	5.0
161.04440	15.4
164.04616	1.2
165.09189	6.7
166.05016	3.3
173.04443	1.5
173.09674	9.3
179.03291	3.0
179.10701	4.3
180.03973	1.1
191.05617	2.5
191.10707	4.7
192.06670	1.3
195.06622	1.9
205.08701	1.6
221.08351	1.4
223.09877	1.9
279.13824	3.7
289.07590	1.2
297.14990	6.9
311.11566	1.6
315.16055	3.1
325.28088	1.3
357.13190	1.9
406.14920	1.3
519.23633	5.3
519.31750	4.1
520.27649	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	519.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	6.3
57.03318	5.0
59.01250	100.0
60.71730	1.8
64.46934	2.4
71.01253	96.6
71.04887	2.4
71.16331	4.9
71.16675	2.4
72.99173	6.7
73.02818	32.5
83.01253	10.7
85.02832	41.9
85.03362	3.7
87.00755	5.4
89.02322	44.8
95.01241	6.6
97.02861	2.7
99.00760	41.3
101.02317	59.5
111.00762	3.3
113.02328	50.6
119.03403	8.4
121.02885	2.8
125.02352	3.6
131.03351	6.9
143.03415	6.6
149.04462	24.1
159.02895	5.9
161.04478	49.4
179.05446	5.6
191.05559	21.5
203.10579	2.1
233.06555	3.7
234.93402	2.2
331.53613	2.2
357.26245	3.9
387.18149	36.8
387.22968	3.8
388.18320	4.4
502.10184	2.4
518.29999	3.1
519.22278	63.7
519.31494	29.3
520.22626	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	519.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84349	1.4
52.02739	1.4
52.29749	1.4
59.01251	89.4
71.01253	18.6
71.58946	1.9
72.01584	1.7
72.27670	1.4
73.02809	5.2
74.02344	3.9
78.02435	1.5
78.95790	2.1
80.77772	1.5
83.01250	3.4
85.02823	8.3
85.10458	1.5
87.00755	1.7
88.84953	1.4
89.02318	7.2
93.03310	3.8
95.01280	2.4
96.95872	2.6
97.02830	1.9
99.00783	3.8
101.02328	11.3
106.04137	2.3
109.02851	3.8
113.02311	7.0
119.03403	2.5
119.04926	13.6
119.08482	1.7
121.02843	2.7
123.04443	1.9
135.04393	6.0
135.08041	2.1
137.02347	2.0
147.08060	47.9
148.05173	1.8
149.02414	2.9
149.05989	100.0
150.06325	3.2
151.03888	1.6
159.02931	2.2
161.02344	5.9
161.04463	16.8
161.09575	1.4
165.09114	7.4
166.04944	3.3
172.00189	1.9
173.09596	8.4
179.10670	3.4
191.05534	4.3
191.10654	7.8
195.06490	2.1
279.13913	2.3
280.01633	1.5
295.10358	2.3
297.11804	1.6
297.14957	8.5
311.11273	3.5
315.15735	1.9
357.13583	2.3
385.80954	1.9
519.14874	2.7
519.31866	3.3
520.27765	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	519.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85568	0.7
55.01757	0.9
57.03334	0.9
59.01253	100.0
60.01594	1.2
60.08661	0.6
60.58702	0.6
61.98705	10.8
62.57037	0.6
71.01256	19.6
72.99202	1.5
73.02820	12.0
83.01253	4.6
83.02405	1.0
85.02837	6.3
87.00772	1.0
89.02314	10.1
89.02831	0.8
93.03364	1.8
95.00638	0.6
95.01273	2.1
98.19805	1.3
99.00772	3.1
100.34210	0.8
101.02328	17.5
101.02998	0.9
107.04941	0.8
109.02850	0.7
113.02331	10.7
114.77255	0.7
119.03393	3.8
119.04919	2.5
119.49117	0.6
123.04362	0.7
125.02354	1.2
126.06754	0.7
128.03412	0.7
131.03456	0.7
135.04457	4.4
137.02313	0.8
143.03429	1.0
143.04547	1.2
147.08051	0.9
149.04622	1.5
149.05988	37.1
150.03055	0.8
150.06329	1.5
161.02361	2.0
161.04408	4.0
163.03928	1.0
166.14493	0.8
173.09660	2.1
179.05559	1.8
179.75562	0.8
187.51105	0.6
191.05510	1.1
267.06818	0.7
273.07498	1.0
279.13910	0.8
286.60504	0.7
297.11505	1.3
307.08157	1.2
313.98926	1.2
315.08752	1.0
335.15021	1.8
339.12790	1.0
347.02332	2.8
353.30865	0.7
357.13437	2.7
357.26675	1.5
369.15472	1.1
379.45853	0.7
395.17346	0.8
441.19180	3.5
459.20090	10.0
459.25693	0.8
460.20789	1.0
477.23550	2.4
501.21301	6.8
502.21454	1.5
519.24103	3.6
519.31799	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61422	0.7
53.91296	0.7
54.34372	0.6
55.03402	0.6
59.01251	100.0
59.42978	0.7
71.01256	6.3
71.08373	2.3
73.02835	2.9
83.01273	1.3
85.02818	3.5
87.47732	0.7
89.02323	1.8
93.03328	0.7
98.20313	1.1
99.00781	1.6
101.02318	5.2
113.02341	2.0
119.04919	29.1
120.05269	1.3
124.01625	0.9
125.02370	1.1
135.04402	1.5
151.03828	0.9
161.04507	2.1
162.03137	1.0
163.03908	1.2
177.05556	1.1
255.10231	11.0
297.24084	0.9
301.46564	0.9
315.25485	3.2
335.66177	0.9
397.90051	0.8
459.29764	1.7
477.30634	5.4
519.23285	1.5
519.31775	18.1
520.32825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1877
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.36349	0.6
50.86102	0.6
55.54588	0.6
57.03328	0.9
59.01250	21.7
62.00814	0.6
69.52889	2.5
69.53316	3.4
71.01254	10.7
71.44839	0.6
72.99178	0.9
73.02823	3.6
74.02368	0.8
83.01261	1.3
84.02032	1.0
85.02827	4.5
87.00759	1.3
87.04365	0.7
88.03941	0.9
89.02314	3.4
93.03355	1.6
95.01284	1.1
96.40079	0.7
96.95883	0.9
99.00768	2.3
101.02314	5.3
103.38773	0.7
104.03380	0.8
108.02046	1.9
109.02865	1.4
113.02335	4.4
119.03405	1.3
119.04920	1.3
121.02853	7.0
122.03637	2.5
123.00825	0.8
123.04425	1.7
125.02362	1.3
132.02922	2.4
135.04413	2.0
136.01564	76.5
137.02240	2.8
143.03297	0.7
143.61409	0.7
147.08069	3.4
149.04520	0.7
149.05966	4.2
150.21849	0.8
151.03918	100.0
152.04280	4.8
156.30602	0.8
159.04366	0.7
160.05267	1.2
161.02339	1.3
161.04485	3.8
161.05711	0.9
162.03203	1.3
163.03853	1.6
167.03395	1.0
173.04460	0.8
173.09581	0.8
175.03935	0.8
177.05556	1.2
179.03409	0.7
185.06146	0.6
187.03876	0.8
191.05592	2.8
193.04976	0.8
205.43488	0.7
209.04593	1.0
237.66862	0.7
256.07590	0.8
262.44699	0.7
269.04492	0.7
299.57602	0.7
300.98773	0.8
311.12378	0.7
313.07236	1.0
341.10080	0.8
342.11105	4.2
353.10260	1.2
357.10153	3.4
357.13464	78.0
358.13840	8.0
387.11142	1.0
471.28992	0.7
475.21887	5.4
519.24518	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	519.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.8
59.27211	0.5
64.24667	0.5
67.08749	0.5
68.65134	0.5
69.28517	1.3
69.28912	6.1
71.01262	6.6
73.02820	1.3
83.01288	0.7
85.02844	3.5
86.02355	1.1
89.02315	4.7
93.03316	0.6
95.01294	1.2
96.95926	1.1
97.02853	0.6
98.19852	1.3
99.00751	2.8
101.02322	3.3
113.02355	2.2
117.03267	0.5
119.03401	1.5
119.04899	0.6
121.02850	6.1
125.02305	0.6
131.03423	0.6
132.02036	0.7
133.04950	2.6
140.62308	0.6
147.04424	2.7
149.02353	53.3
149.04311	1.3
150.02731	1.6
151.06047	0.8
152.00978	0.7
161.04503	1.4
163.03955	1.0
164.04709	48.7
164.31995	0.6
165.01834	0.8
165.05061	2.7
175.00284	2.8
175.06038	2.5
179.05608	1.1
179.07054	4.9
190.02650	6.8
191.05602	1.4
193.01424	1.4
199.60765	0.5
205.05031	6.7
205.06943	1.0
208.03745	4.7
223.06076	100.0
224.06438	4.5
295.10352	3.4
313.11502	0.9
370.20200	0.6
391.80743	0.5
406.08594	0.6
409.67773	0.6
459.95334	0.6
473.76599	0.6
519.16992	2.5
519.24530	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60487	1.3
57.03318	2.4
58.00473	1.7
59.00948	3.0
59.01249	58.5
61.98712	14.4
63.02260	4.4
65.00198	5.6
67.59101	1.7
68.02411	3.2
71.01254	26.8
72.99198	2.5
73.02821	16.1
73.59922	1.3
83.01263	11.1
85.02827	10.3
87.00769	3.1
89.02322	14.4
93.03353	13.1
94.60880	1.5
95.01274	2.4
96.95902	5.3
96.96813	1.7
99.00779	4.3
99.04395	2.2
101.02316	26.1
107.01275	16.1
108.02092	1.9
109.02854	6.3
113.02323	10.6
119.03405	5.9
119.04910	32.0
120.05235	2.0
125.02320	2.5
128.03400	3.0
131.03419	2.2
135.04449	9.3
136.01567	2.9
137.02289	1.5
143.03378	4.2
143.04457	3.2
147.08083	2.4
149.02354	2.3
149.04730	2.6
149.05977	15.6
151.00270	48.3
159.04288	1.4
161.02333	3.1
161.04489	5.8
161.23558	1.6
163.03902	2.1
164.01146	1.8
165.01898	1.7
165.05453	2.2
169.01349	4.5
177.01802	8.4
189.81363	1.5
191.05582	3.9
191.07094	6.8
221.08157	4.7
239.12071	1.8
248.83907	1.7
254.07893	2.6
254.49471	1.7
271.06116	100.0
272.06479	8.4
297.14853	3.7
339.12497	2.0
355.39822	1.5
357.13226	13.8
357.26443	4.1
358.13693	1.8
375.27423	1.7
461.43411	1.7
475.12320	26.7
476.12683	4.3
519.18140	2.1
519.25970	2.6
519.31506	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	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.3
62.92401	0.3
71.54965	0.6
74.99436	0.3
78.95779	44.1
96.96844	5.7
104.77499	0.3
150.97922	1.4
152.99495	100.0
153.99854	0.9
171.00552	3.4
190.28036	0.3
203.82867	0.4
242.27126	0.5
277.21768	0.8
431.22034	19.1
432.22440	2.4
518.25177	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71562	1.0
56.48418	0.9
59.01255	28.8
66.32536	1.1
69.33132	10.5
71.01257	7.8
73.02820	5.4
73.49695	1.1
74.02350	1.9
83.01245	2.3
83.53600	0.9
85.02823	3.1
89.02325	4.9
93.03339	1.0
95.01246	1.1
98.20558	1.8
99.00735	1.7
99.05540	1.1
101.02348	7.7
108.02064	2.0
109.02865	1.5
113.02312	3.8
119.03407	1.7
119.04930	8.7
121.02830	2.0
123.04412	1.7
128.03421	2.0
135.04443	2.5
137.02328	1.6
143.04503	1.8
145.02824	4.0
147.08035	4.6
148.01541	1.9
149.06003	12.3
151.00261	3.0
151.03871	3.8
152.04654	1.4
159.04372	1.4
161.04442	2.5
163.03909	2.1
165.09091	1.1
167.10886	1.1
173.09570	1.5
175.03905	1.9
179.10628	1.0
180.04118	1.3
181.04953	1.8
191.05505	1.5
193.04926	2.9
195.06573	6.8
196.03716	3.8
199.03947	4.6
201.01900	1.0
211.03752	1.4
215.03481	3.0
226.02731	1.4
227.03493	5.0
242.02177	1.1
243.02937	10.1
254.02138	1.4
255.02971	20.5
256.03311	1.7
270.01727	1.4
271.02475	93.2
272.02948	8.5
280.58405	1.1
299.01968	100.0
299.08957	2.7
300.02710	96.6
301.03006	8.0
306.07578	3.5
307.07944	3.6
314.04327	16.5
315.05103	80.9
315.12442	4.2
316.05417	6.4
357.13297	3.0
501.14832	1.6
519.11340	72.5
519.24005	1.7
519.31671	4.3
520.11499	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	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59991	1.5
57.03335	2.3
58.00476	3.5
59.01250	82.4
69.39002	3.8
69.39404	13.4
71.01254	65.6
72.99187	5.6
73.02821	22.3
75.00751	2.2
83.01272	2.5
85.02815	11.5
87.00697	2.0
89.02316	100.0
93.03348	1.9
95.01299	1.7
96.95870	2.6
97.02852	2.0
99.00758	37.3
99.01355	3.1
101.02323	46.5
113.02344	10.5
114.32280	1.4
119.03416	3.1
121.02894	1.8
125.02322	2.8
131.03391	19.1
135.04414	2.3
143.03395	3.1
149.04462	66.3
151.03944	3.1
161.04433	3.8
166.06284	5.3
177.46033	1.6
179.07028	2.7
180.07735	2.3
181.05040	1.7
181.08626	8.5
182.08730	1.7
191.05553	26.6
194.04669	1.6
215.85786	1.7
221.06590	6.2
251.07640	2.6
517.17334	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	518.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.3
62.85018	0.8
69.32173	7.8
71.01254	7.4
73.02819	2.7
83.01237	0.9
85.02834	3.3
88.03948	0.8
88.98689	1.6
89.02341	5.6
93.03349	1.1
96.01621	0.9
96.39974	0.9
96.95898	2.0
98.19834	1.8
98.27835	0.9
99.00777	4.9
101.02329	3.4
101.23172	1.0
106.06517	1.1
108.02053	9.2
113.02335	3.5
114.02720	1.2
122.02390	0.9
131.03380	1.2
135.04443	1.6
137.02391	1.6
138.01877	100.0
139.02222	2.1
149.02298	1.0
149.04494	2.5
161.02391	1.1
161.04474	2.2
179.03284	1.1
180.02962	3.3
181.01253	0.9
181.08571	4.6
182.04500	5.3
182.08987	1.9
191.05566	3.9
330.35971	0.9
387.20215	1.1
432.11362	2.2
474.12747	5.9
519.24677	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16858	1.1
55.01757	1.4
57.03320	3.5
58.00465	1.9
58.87252	1.0
59.00957	1.5
59.01255	42.2
71.01254	54.7
71.57706	2.1
72.99175	4.9
73.02822	22.8
73.82411	1.1
74.02338	4.0
75.00738	2.4
83.01265	4.2
85.02827	21.9
87.00764	2.0
89.02319	37.0
95.01276	4.5
96.95906	1.6
97.02860	3.3
99.00761	72.7
100.01068	1.5
101.02330	24.0
101.02979	1.5
106.20335	1.1
113.02338	32.6
113.05976	1.2
116.03421	5.2
119.03420	3.7
121.02917	1.2
122.16931	1.3
123.04448	1.4
125.02374	1.3
125.05962	1.9
129.01810	1.3
131.03421	7.5
136.05176	2.4
137.02310	1.8
138.06760	5.7
139.07562	3.2
143.03412	3.3
148.05292	1.9
149.04471	20.1
149.05699	2.2
151.03909	3.1
151.07545	7.5
152.03477	1.2
152.04678	2.5
152.08347	16.4
153.09129	28.4
154.09460	1.7
159.02884	2.1
161.04466	21.5
162.04800	1.2
163.07646	1.5
163.11201	1.8
165.09215	1.3
166.02594	1.4
166.06267	4.8
175.03731	1.4
177.09172	1.7
177.17033	1.2
179.05592	1.9
179.07007	1.5
180.07832	1.5
181.08649	12.1
182.04523	1.5
182.08893	1.0
184.60841	1.1
190.09937	3.7
191.01962	1.6
191.05534	22.8
193.04848	1.1
196.03711	3.2
205.12280	35.7
206.12654	1.4
211.06163	1.7
223.06070	1.8
223.13348	12.0
223.25508	1.2
225.14828	1.2
233.06638	3.1
249.50397	1.1
293.08698	1.7
365.14539	1.5
385.18710	14.5
386.18842	2.0
517.22961	100.0
518.16058	2.0
518.23138	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	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72590	1.3
55.01756	2.4
57.03326	6.5
58.00468	1.7
59.01251	57.6
69.89066	7.7
71.01254	59.5
72.99184	3.9
73.02819	26.5
75.00748	1.8
83.01246	4.9
83.04905	2.2
85.02825	25.7
87.00765	3.5
87.32403	1.3
89.02317	38.4
95.01260	5.2
95.04913	1.4
96.95898	2.3
97.02860	1.4
99.00759	75.6
100.01100	1.7
101.02327	22.0
107.04920	14.2
108.02054	1.6
109.02799	2.2
113.02337	38.6
119.03403	5.4
119.04923	14.8
121.02825	2.6
123.04422	4.9
123.07973	1.9
131.03360	9.2
135.04379	2.5
136.05176	3.1
136.54539	1.5
137.02370	8.9
137.05992	29.9
138.06743	5.7
139.03870	1.5
139.07559	2.4
143.03421	2.6
143.52542	1.4
148.05157	1.8
149.04451	17.8
151.03905	15.4
151.07544	4.3
152.04716	8.2
152.08340	15.7
153.09125	31.1
156.88513	1.3
159.02898	2.4
161.02400	1.5
161.04465	22.1
163.07545	3.2
163.11177	3.0
166.02855	1.2
166.06226	7.9
167.07060	2.8
172.55884	1.2
179.05545	3.3
181.04991	2.7
181.08630	30.4
184.96422	1.5
190.09834	2.1
191.05559	24.4
195.02974	2.4
196.03700	17.5
197.04189	1.4
205.12270	41.6
206.12598	2.2
209.03053	3.7
211.06082	9.6
215.94046	1.3
223.13391	11.3
233.06662	2.4
293.08896	1.6
365.14655	3.3
373.11279	10.3
385.18686	14.0
415.12439	4.8
431.15625	3.1
437.83478	1.6
473.16583	10.8
474.16812	1.7
475.18323	1.8
517.22961	100.0
518.16431	2.3
518.23273	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	517.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40651	0.6
59.01254	22.2
70.54019	0.5
71.01263	6.4
71.59348	0.6
73.02813	2.2
74.02351	1.0
78.43533	0.6
81.03327	1.3
83.01269	1.5
83.04884	0.9
85.02804	3.3
87.00732	1.0
89.02313	5.0
91.70458	0.6
93.03348	0.7
95.01292	0.7
95.13872	0.7
96.95876	1.4
97.06556	0.6
99.00755	4.4
101.02364	3.7
101.69901	0.6
107.04916	0.9
108.01992	0.7
109.02841	3.4
113.02310	3.5
119.03378	1.3
119.04911	3.9
121.02856	6.8
123.04392	0.8
125.02331	0.8
128.03423	2.2
131.03384	1.2
133.02885	1.1
133.06502	1.1
135.04419	3.5
143.04536	1.4
146.04593	0.8
147.04343	1.0
149.02287	1.2
149.04491	1.8
149.06050	0.9
157.06503	2.5
159.04436	2.6
161.02345	2.3
161.04468	2.1
163.03914	2.5
163.07564	1.8
171.04382	1.0
172.05180	0.7
173.06020	2.6
177.09113	0.9
179.10672	1.0
183.04361	1.4
185.02428	1.0
191.03613	0.8
191.05521	3.7
192.05879	0.7
197.06007	1.9
198.06741	0.8
201.05501	2.4
203.10715	2.2
210.08752	0.8
211.07594	1.9
213.05513	0.8
225.05518	1.5
227.03438	0.8
233.11795	3.3
235.83200	0.6
238.06328	1.2
241.05026	11.7
242.05681	2.1
251.10724	0.7
255.06616	4.4
267.06635	1.1
271.13382	3.2
272.08905	1.5
287.16470	3.2
293.15579	3.3
306.07700	5.4
311.16510	8.5
312.16907	1.1
313.07040	0.6
313.14468	4.1
327.15854	1.1
337.14484	9.7
338.14648	0.7
355.15521	100.0
356.15823	9.8
381.54333	0.7
407.07410	1.4
517.13068	1.1
517.20477	2.0
518.30322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
59.01250	27.3
60.01601	0.6
61.98706	0.8
69.03300	0.8
69.35318	3.0
69.35751	3.4
69.48920	0.5
71.01250	9.1
71.04864	0.6
73.02831	3.7
79.05402	1.4
79.47069	0.6
83.01250	1.6
83.04895	1.3
85.02824	3.3
87.00743	1.1
89.02307	3.3
93.03347	2.7
95.01246	1.1
99.00770	1.8
101.02349	4.9
106.78772	0.7
107.04869	0.7
108.02066	1.2
109.02831	3.1
113.02354	4.3
116.92735	0.8
119.04917	98.8
120.05247	3.6
121.02854	5.4
123.00769	0.7
123.04430	1.4
125.02311	1.3
131.08542	0.6
133.02815	2.6
135.04448	5.3
137.02342	3.4
137.05980	0.8
147.04424	1.0
148.01540	0.8
149.02359	2.6
150.03127	5.6
151.03889	1.2
152.04723	1.0
157.06497	0.8
159.04430	2.3
160.05194	2.6
161.02400	1.5
161.04471	2.2
161.06009	2.5
162.03058	0.8
162.06746	1.7
163.03946	3.5
165.05577	0.8
173.05942	1.3
174.06754	1.7
175.03925	3.5
175.07504	3.9
176.04094	0.7
177.05424	2.4
179.03418	2.9
182.02203	1.0
185.06020	2.4
188.04729	1.0
188.08365	0.7
188.54210	0.7
190.06255	4.3
191.05516	2.0
191.06985	1.3
192.07796	2.7
195.06548	2.5
201.05412	1.2
202.06314	2.6
203.05164	1.1
203.07071	24.0
204.07524	2.5
205.05017	1.2
205.08635	5.2
215.07021	3.1
216.07776	1.4
216.98479	0.7
217.08640	7.5
219.06560	1.6
219.10233	1.1
220.07347	8.6
221.08153	14.6
222.08646	0.9
233.08148	7.9
234.08867	2.4
235.09720	100.0
236.10062	6.0
237.14957	1.8
241.04958	1.5
249.11249	1.2
269.56744	0.7
281.08194	2.1
285.03986	1.0
313.07315	2.1
322.12061	0.9
323.12921	1.7
325.10980	0.7
337.14407	3.9
337.31915	0.7
339.12320	3.7
340.13159	3.0
354.14743	2.8
355.11853	3.5
355.15497	62.0
356.15927	6.8
373.26053	1.5
448.09991	1.2
517.13452	1.7
517.20929	8.5
517.29852	4.0
518.21960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40063	0.6
57.03318	0.8
57.55258	0.6
59.01253	22.7
60.99259	0.7
61.19714	0.6
61.98699	0.8
65.03837	4.3
67.01750	0.9
71.01261	5.2
73.02814	2.0
85.02837	2.3
87.00755	0.9
89.02329	1.9
91.05410	12.7
92.40047	0.8
93.03325	2.7
98.19833	1.5
99.00778	1.3
101.02327	3.4
107.04933	0.8
109.02838	41.5
110.03237	0.7
113.02338	2.0
119.04888	1.7
121.02847	44.6
122.03148	1.4
125.02317	1.2
133.02820	1.1
134.03607	0.9
135.04419	100.0
136.01552	0.8
136.04782	3.6
147.04420	9.4
149.02351	1.4
150.03239	0.9
161.05969	0.8
162.03175	1.0
163.03947	3.5
164.04715	1.0
175.03908	4.8
176.08330	1.1
189.09146	2.0
190.06169	0.7
191.05586	1.4
191.07068	6.7
192.07808	1.7
201.09126	3.2
203.07092	3.3
203.10722	1.5
204.07777	4.6
205.08604	3.2
206.09363	2.3
207.10207	1.3
213.09196	2.4
217.08685	4.9
218.09427	25.5
219.10205	16.9
220.10526	1.2
229.08823	1.0
230.09558	4.4
233.11792	14.0
234.12025	0.8
245.11810	14.9
323.12827	7.5
324.13303	1.0
340.13068	1.4
355.15506	83.5
355.24878	2.4
356.15839	9.6
429.66473	0.8
439.39893	0.8
457.28284	1.4
517.20911	3.7
517.30359	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	517.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92694	1.1
54.53463	0.9
57.03311	2.3
58.00461	4.6
59.01254	100.0
60.01558	1.2
67.20200	1.1
71.01257	59.8
72.32107	1.2
72.99190	5.0
73.02833	5.4
83.01259	2.3
85.02827	11.3
87.00751	4.0
88.75967	1.1
89.02321	60.7
92.73858	1.2
93.03333	3.8
95.01265	3.9
99.00755	3.0
101.01698	2.0
101.02331	31.2
102.02653	1.2
109.02811	1.2
113.02328	24.2
114.02648	1.0
119.03415	25.5
119.04915	38.7
120.05200	2.0
121.02835	2.2
123.04422	1.0
125.02299	2.1
130.42815	1.2
131.03389	3.0
133.02878	1.2
135.04350	2.1
137.02333	1.6
143.03355	2.9
149.04483	3.1
150.03177	1.4
159.04416	5.0
161.04472	3.0
161.05710	1.0
163.03839	1.3
173.06010	2.2
174.06754	3.9
175.04015	1.0
175.07480	1.1
177.05466	3.0
179.05525	4.7
185.06018	4.0
187.07521	2.5
189.09146	1.1
191.05521	2.0
199.07512	1.2
202.06293	6.4
203.07037	8.2
215.07100	21.7
216.07756	5.5
217.08649	49.9
218.08937	3.9
229.08546	1.3
231.10243	2.5
279.06583	3.0
305.11832	3.7
322.12137	10.2
323.12595	1.7
327.12384	1.8
337.14438	49.4
338.14819	5.9
355.11560	1.9
355.15552	2.5
373.26245	1.1
400.34293	1.2
444.95840	1.0
517.21179	8.2
517.30371	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	517.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03321	1.9
58.00461	4.1
59.01252	100.0
61.38135	0.9
69.35987	0.9
69.36293	9.5
71.01256	61.3
71.65619	0.8
72.99178	4.9
73.02816	3.8
74.05545	0.9
83.01256	3.9
85.02823	12.9
87.00735	3.3
89.02319	58.6
90.02676	1.2
93.03336	3.0
95.01249	4.4
99.00739	3.2
99.46278	1.0
101.02326	36.6
109.02833	1.8
113.02332	21.6
119.02632	0.8
119.03408	27.0
119.04903	32.8
121.02863	1.3
125.02290	1.2
131.03378	2.5
135.04396	3.0
135.14511	1.0
137.02353	1.8
143.03369	4.0
149.04456	3.1
149.05876	1.0
151.03867	1.0
159.04407	4.1
161.04500	4.7
173.05995	3.5
174.06825	6.1
175.03908	1.3
175.07262	1.1
177.05467	3.7
179.05539	4.7
185.05966	3.9
187.07520	2.7
189.05476	1.2
191.05495	2.5
193.04997	1.0
202.06300	5.4
203.07077	7.0
215.07112	15.1
216.07767	4.7
217.08662	43.8
218.08969	3.4
231.10341	1.6
235.09697	1.2
243.10204	1.2
279.03671	0.9
279.06607	2.4
304.11044	1.0
305.11768	3.2
322.12192	7.4
326.55484	1.0
337.11026	2.4
337.14453	39.5
338.14746	4.1
355.11621	3.2
355.15616	1.6
355.24905	1.8
443.94626	1.0
515.84229	1.1
517.21527	7.7
517.29810	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	517.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27804	0.5
55.01774	0.5
57.03291	0.6
59.01251	18.2
63.55192	0.5
65.03831	3.3
67.01773	0.8
69.03283	0.6
71.01254	9.8
71.04890	0.8
71.14894	1.3
72.99186	1.2
73.02811	3.2
78.95821	0.6
83.01257	1.4
83.24209	0.5
84.22079	0.5
85.02815	3.3
87.00771	1.1
89.02321	5.6
91.05403	11.6
93.03335	3.1
95.01265	1.0
97.79380	0.5
99.00740	3.3
101.02327	4.6
107.04893	0.7
108.02047	1.1
109.02836	27.7
110.03149	0.7
113.02318	4.7
119.03402	1.9
119.04917	1.9
121.02845	34.7
122.03187	1.4
123.04357	0.9
125.02357	0.9
133.02882	1.4
134.03609	1.1
135.04414	100.0
136.04752	3.7
137.02348	0.8
147.04436	4.3
149.02361	1.1
149.04443	2.0
149.06027	1.0
151.03903	1.0
157.10164	0.8
160.29631	0.5
161.02342	1.6
161.04454	2.3
162.03108	2.2
163.03900	1.5
175.03920	2.0
175.07590	0.7
181.06497	1.6
189.09158	1.0
191.05507	1.8
191.07109	3.1
192.07898	1.1
201.09097	1.5
203.07054	1.6
204.07803	2.2
205.08620	3.0
206.09436	1.5
213.09158	1.1
217.08644	23.8
218.09395	11.3
219.10194	12.0
229.08646	2.2
230.09361	2.6
232.11031	5.0
233.11746	7.3
245.08299	0.7
245.09227	0.8
245.11761	7.3
253.05237	1.2
287.27112	0.5
321.11517	0.6
323.12918	2.3
327.22025	0.5
337.14465	0.9
339.12421	2.6
354.14728	6.0
355.15488	46.6
355.24689	3.9
356.15826	6.3
389.67157	0.6
395.17065	3.1
474.89972	0.5
499.28925	0.7
517.20844	10.2
517.30115	9.0
518.20905	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	517.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.5
56.07714	1.3
57.03330	2.2
58.45457	1.1
59.01254	48.3
59.85271	1.0
71.01255	16.3
72.99192	1.7
73.02815	6.0
79.05425	4.3
83.01247	1.3
83.04917	2.5
83.60626	1.1
85.02820	7.5
85.63680	1.2
89.02330	7.6
91.86856	1.2
93.03351	8.4
95.01286	1.8
97.02873	1.2
99.00748	1.6
101.02315	9.7
108.02109	1.3
109.02837	7.9
112.59122	1.4
113.02336	5.7
119.03456	4.4
119.04921	99.2
120.05251	3.6
121.02856	6.0
123.04412	3.0
125.02391	1.9
128.03447	1.7
133.02890	1.9
135.04413	11.1
137.02376	5.4
143.03409	2.1
146.04539	2.3
147.04437	3.0
149.02379	4.1
150.03143	7.7
151.03902	3.9
152.04709	3.0
157.06421	1.8
159.04480	3.6
160.05243	4.4
161.02419	2.0
161.04448	4.1
161.05913	2.6
162.03183	2.5
163.03925	6.2
164.04742	1.9
165.05487	1.7
173.05922	2.1
174.06841	2.2
175.03941	8.5
175.07523	6.1
177.05493	1.8
177.09213	1.2
179.03455	4.4
181.12323	1.3
185.06000	4.0
187.03937	1.5
188.04721	2.7
189.05457	2.1
190.06302	3.2
191.04005	1.3
191.05545	5.8
191.07089	2.8
201.05563	2.6
202.06329	1.6
203.05148	2.1
203.07074	42.9
204.07619	2.8
205.05096	1.3
205.08626	3.9
206.08974	1.2
207.06503	1.8
215.07114	9.7
216.07851	2.8
217.08682	5.9
218.92229	1.2
219.06564	3.8
219.10103	2.6
220.05345	1.4
220.07375	6.4
221.08148	28.0
222.08678	2.3
232.07384	5.0
233.08171	29.4
233.11679	1.4
234.08725	3.5
235.09723	99.7
236.09995	5.5
247.09682	1.2
249.11377	2.4
261.11365	1.4
264.10004	1.3
281.08267	2.8
289.07294	2.3
293.11737	1.4
313.07251	3.4
321.11420	2.5
323.12833	8.1
325.14670	1.5
337.14420	3.6
339.12347	28.1
340.12955	6.1
354.14713	20.7
355.15485	100.0
356.15851	10.6
365.12531	1.5
371.15121	3.0
384.14255	1.5
387.13580	1.5
397.22382	1.9
407.63074	1.2
427.46777	1.3
517.14374	2.4
517.20953	10.7
517.30066	7.6
518.21179	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	517.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27804	0.5
55.01774	0.5
57.03291	0.6
59.01251	18.2
63.55192	0.5
65.03831	3.3
67.01773	0.8
69.03283	0.6
71.01254	9.8
71.04890	0.8
71.14894	1.3
72.99186	1.2
73.02811	3.2
78.95821	0.6
83.01257	1.4
83.24209	0.5
84.22079	0.5
85.02815	3.3
87.00771	1.1
89.02321	5.6
91.05403	11.6
93.03335	3.1
95.01265	1.0
97.79380	0.5
99.00740	3.3
101.02327	4.6
107.04893	0.7
108.02047	1.1
109.02836	27.7
110.03149	0.7
113.02318	4.7
119.03402	1.9
119.04917	1.9
121.02845	34.7
122.03187	1.4
123.04357	0.9
125.02357	0.9
133.02882	1.4
134.03609	1.1
135.04414	100.0
136.04752	3.7
137.02348	0.8
147.04436	4.3
149.02361	1.1
149.04443	2.0
149.06027	1.0
151.03903	1.0
157.10164	0.8
160.29631	0.5
161.02342	1.6
161.04454	2.3
162.03108	2.2
163.03900	1.5
175.03920	2.0
175.07590	0.7
181.06497	1.6
189.09158	1.0
191.05507	1.8
191.07109	3.1
192.07898	1.1
201.09097	1.5
203.07054	1.6
204.07803	2.2
205.08620	3.0
206.09436	1.5
213.09158	1.1
217.08644	23.8
218.09395	11.3
219.10194	12.0
229.08646	2.2
230.09361	2.6
232.11031	5.0
233.11746	7.3
245.08299	0.7
245.09227	0.8
245.11761	7.3
253.05237	1.2
287.27112	0.5
321.11517	0.6
323.12918	2.3
327.22025	0.5
337.14465	0.9
339.12421	2.6
354.14728	6.0
355.15488	46.6
355.24689	3.9
356.15826	6.3
389.67157	0.6
395.17065	3.1
474.89972	0.5
499.28925	0.7
517.20844	10.2
517.30115	9.0
518.20905	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	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91673	4.7
58.73956	5.7
59.01250	100.0
64.00652	5.0
68.81458	5.3
69.46382	14.0
69.46708	56.0
71.01249	41.5
73.02802	7.1
85.02814	13.7
89.02311	50.7
99.00746	15.5
99.20274	6.3
101.02289	17.4
113.02330	13.1
125.02324	19.3
128.03386	7.3
131.03412	6.5
135.04407	16.2
143.04507	7.9
148.05209	15.6
149.04474	7.8
163.07608	8.1
165.71838	7.4
179.03363	6.9
191.05518	12.9
200.62045	6.9
214.41132	6.1
233.06633	16.6
293.08804	60.5
306.07581	14.9
362.44482	6.3
517.29382	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	517.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58238	1.3
57.03320	7.0
59.01254	57.6
60.11931	1.1
69.51037	10.0
71.01257	18.8
72.99162	1.4
73.02831	5.7
73.77734	1.4
81.96636	1.0
83.01278	2.2
83.04880	1.1
85.02818	5.7
87.00744	2.1
89.02328	7.8
89.92587	1.3
93.03332	5.2
95.01269	2.7
97.02794	1.4
97.08591	1.1
99.00752	2.9
99.04411	5.1
101.02338	14.3
109.02843	8.6
113.02330	6.8
119.03440	3.4
119.04923	100.0
120.05245	3.9
121.02834	8.6
122.03646	7.5
125.02348	6.3
131.03372	1.5
133.02856	1.8
135.04436	6.9
137.02327	2.4
147.04407	2.6
149.02344	12.7
150.03133	32.9
151.00304	7.9
151.03952	8.7
159.02988	1.2
161.04489	4.0
163.03935	10.7
164.04720	6.4
165.01831	1.4
165.05489	44.2
166.02652	10.7
166.05898	1.4
167.58705	1.1
171.10782	1.3
173.04500	2.1
174.64496	1.1
177.01900	2.7
179.07045	4.5
181.05022	13.2
182.02138	4.2
182.05386	1.3
191.05502	4.5
191.07086	1.8
193.04898	2.8
193.06532	21.2
194.06778	1.8
197.10129	1.4
203.07059	2.8
205.84732	1.4
215.07175	1.6
217.08598	1.9
220.07315	2.3
221.08121	1.8
229.08606	2.5
233.08255	1.8
235.09726	59.5
235.12132	2.8
236.10008	3.9
245.11870	1.2
253.08647	1.9
283.88953	1.6
285.11353	7.1
313.07275	2.4
339.12674	1.3
340.13138	1.3
354.14813	1.9
355.11935	5.0
355.15518	85.9
355.24756	2.7
356.15720	10.8
373.22006	1.6
415.23245	2.3
458.83224	1.4
484.25128	1.5
517.20752	5.7
517.30450	6.4
518.22430	1.6
518.30005	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	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83581	0.2
56.02043	0.2
58.00477	0.4
59.01253	5.5
69.33912	1.7
69.34339	1.0
71.01256	4.1
72.30819	0.2
73.02808	0.9
83.01241	0.5
85.02826	0.8
87.00724	0.5
89.02323	3.0
91.42169	0.2
95.01247	0.3
97.02859	0.3
99.94484	0.2
101.02331	3.9
113.02338	1.8
115.37759	0.3
119.03390	0.7
133.04895	0.2
137.38322	0.3
143.03400	0.5
161.04468	1.2
179.05530	0.5
235.08180	0.8
253.09267	14.5
254.09549	0.8
279.23288	100.0
280.23630	9.4
370.63504	0.3
494.32663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	8.1
58.00445	1.2
59.01249	100.0
60.01580	1.9
69.03332	1.6
71.01257	29.5
71.35934	2.4
72.99185	2.5
73.02805	9.3
75.56529	1.2
81.03344	1.4
83.01249	4.1
84.48608	1.2
85.02816	12.7
87.00776	2.7
89.02312	22.0
93.03347	1.7
95.01260	2.5
95.04918	1.4
96.05271	1.2
96.95919	1.5
97.02845	2.0
99.00748	5.1
99.04401	6.4
101.02321	18.1
109.02811	4.4
111.00741	1.8
113.02311	11.1
115.03903	1.3
119.03403	5.9
119.04939	1.6
121.02787	2.0
123.04389	1.6
125.02345	8.6
131.03368	2.9
133.10078	1.4
135.04424	6.1
137.02328	1.7
147.04431	1.7
148.05176	5.6
149.02328	2.6
149.04453	3.8
149.05986	2.3
151.03970	1.3
161.02390	2.1
161.04466	5.2
163.07603	6.4
164.04764	1.3
166.06273	1.3
177.09103	2.2
179.03328	3.0
179.05594	2.0
181.08607	2.2
191.05524	10.5
193.06494	2.3
194.44341	1.5
205.04985	2.0
218.24001	1.3
221.08231	2.4
233.06584	2.8
242.05945	1.4
245.08246	2.2
289.07224	4.1
293.08722	8.3
355.11871	2.5
366.04312	1.4
373.26077	1.5
387.55325	1.5
517.21075	13.7
517.29578	9.0
518.30096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
58.00471	0.3
59.01250	5.4
69.32477	2.3
69.32876	0.6
71.01257	4.2
73.02820	0.8
83.01238	0.4
85.02821	0.9
87.00716	0.5
89.02323	3.1
101.02327	3.4
113.02343	1.7
119.03371	0.8
133.04901	0.4
138.87885	0.2
161.04474	1.8
179.05521	0.5
235.08157	1.0
253.09285	13.9
254.09566	0.6
261.22162	0.3
279.23288	100.0
280.23627	9.5
280.26755	0.3
305.75256	0.2
339.60086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.2
59.01250	3.2
65.03822	0.6
70.91792	0.1
71.01254	1.7
72.99169	0.1
73.02809	1.0
83.01239	0.2
83.04919	0.2
85.02822	0.9
89.02328	1.4
93.03334	53.1
94.03670	1.4
95.01259	0.3
98.20523	0.4
99.00761	2.9
101.02336	0.8
109.02833	0.2
111.00743	0.1
111.08022	0.2
113.02332	1.2
119.04928	0.2
123.04389	0.2
124.65546	0.1
125.02316	0.3
127.40302	0.1
131.03378	0.3
135.04396	0.1
137.02341	100.0
138.02666	3.4
149.02394	0.1
149.04463	0.9
151.03801	0.1
161.02394	0.1
161.04480	0.5
175.07758	0.2
177.05476	0.2
179.03482	0.3
180.06612	0.4
191.05525	1.4
203.07109	0.3
229.67393	0.1
249.70023	0.1
289.07220	0.5
293.71738	0.1
371.24426	0.2
515.18738	1.1
515.28534	0.2
516.19049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
71.01254	18.6
71.58970	3.4
73.02816	15.3
75.00710	1.8
79.95613	3.8
83.01266	5.2
83.04923	2.0
85.02810	7.0
87.00766	5.4
89.02320	8.1
93.03342	2.3
95.01278	2.6
95.04930	1.8
96.56275	1.7
96.95889	8.8
99.00758	6.8
101.02325	13.1
102.05488	2.7
107.04920	5.0
113.02324	9.4
119.03360	4.0
120.05715	2.0
123.04363	2.4
128.03416	3.3
133.10170	2.5
135.04413	30.0
137.02336	4.1
143.03378	2.8
146.04524	6.8
149.02347	18.7
149.06003	6.6
151.03958	3.7
161.02324	3.9
161.04454	3.4
161.09631	10.6
161.13269	5.3
162.03134	13.8
163.03537	8.0
164.03552	2.3
164.04721	30.3
177.01837	2.1
177.05492	18.7
177.09114	4.5
178.05840	9.4
179.03513	2.8
179.07112	33.7
187.11194	16.6
189.09119	5.9
191.03836	2.5
191.05550	20.4
195.06516	3.7
196.03670	2.7
203.10699	2.2
205.12303	4.0
207.10201	2.1
221.08263	1.9
223.13336	45.7
224.13715	2.6
229.12207	2.5
249.11400	3.3
267.12360	35.8
268.12634	4.1
294.99625	2.0
353.08502	3.5
369.13586	3.8
431.13852	2.1
471.15021	5.3
473.16174	8.2
515.16943	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	515.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73734	0.5
56.73676	0.4
57.03313	0.4
59.01254	7.3
59.07037	0.4
69.52448	2.9
69.52862	0.7
71.01254	4.6
72.99161	0.6
73.02823	2.1
75.00787	0.5
83.01257	0.8
85.02837	1.4
87.00728	0.5
87.37811	0.4
89.02321	2.0
96.95901	2.8
97.02835	0.5
98.20509	0.9
99.00759	5.8
101.02341	3.0
109.02882	1.1
112.10322	0.5
113.02331	3.9
122.05991	0.4
123.00813	0.8
123.04400	0.6
125.02348	1.6
129.01750	0.6
130.52815	0.5
131.03348	0.5
135.04408	2.6
137.02344	1.3
138.05493	1.1
139.03918	0.5
144.01189	0.8
145.02863	1.8
146.03644	45.2
147.04283	1.7
151.03981	1.5
152.04678	1.4
161.04584	1.0
161.05988	16.9
162.06372	0.7
163.03938	1.3
164.04704	32.7
165.05382	2.6
173.04434	0.8
179.07063	100.0
180.07457	4.6
184.06140	0.5
190.16728	0.5
191.03653	0.4
191.05573	2.5
196.03757	2.7
211.06084	1.4
341.06436	0.5
373.11685	1.1
455.16046	0.5
456.31073	0.5
471.19907	0.6
473.10062	0.8
473.16690	13.7
473.23367	0.9
474.16852	0.9
486.16254	2.0
513.27698	0.5
515.10846	2.4
515.17731	9.9
516.10443	0.7
516.17535	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	515.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
57.63263	0.6
58.37351	0.6
59.01253	12.6
71.01250	4.3
71.59376	0.9
71.59746	0.6
73.02818	1.3
75.00729	1.1
81.03368	0.7
85.02845	1.5
87.00728	0.8
89.02309	2.5
89.03860	0.7
95.04903	2.4
99.00748	1.1
101.02314	2.5
105.03284	0.9
106.04114	0.7
109.02852	2.0
113.02335	1.7
119.03376	1.1
119.04924	1.1
121.02832	2.5
123.04394	6.2
125.02322	0.9
130.04118	3.8
133.02858	53.2
134.03180	1.8
135.04393	1.9
143.04974	1.0
145.06502	6.7
147.08008	1.5
149.02379	0.6
157.06516	3.0
159.04497	0.7
161.02370	1.5
161.04495	1.1
175.07631	2.0
177.01913	1.2
189.05498	4.8
189.09120	2.2
191.05527	2.2
191.07091	1.1
201.05489	2.6
201.09169	1.4
207.06516	3.4
219.06589	17.7
220.06813	1.1
225.05269	0.9
237.07611	10.4
237.09924	0.8
241.05089	2.5
242.05428	0.7
268.03687	1.3
293.04572	1.6
293.11853	0.8
309.11334	0.9
311.12894	10.8
323.09232	12.9
324.09610	0.9
325.20291	1.0
335.09235	6.0
336.09717	0.8
349.10944	0.7
352.09445	0.8
353.10297	100.0
354.10657	12.9
365.09909	0.7
371.79623	0.6
373.11139	0.7
377.10489	0.8
395.11362	2.2
459.75540	0.6
472.29068	0.7
494.36172	0.6
515.15588	1.4
515.28900	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	515.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.0
59.01253	20.0
69.14417	0.7
71.01255	5.9
71.47298	0.6
73.02811	1.6
81.03289	0.7
83.01270	1.0
83.04898	1.6
85.02818	2.8
87.00771	1.1
89.02320	2.0
93.03349	1.4
95.01286	0.8
95.04915	2.8
96.95963	0.9
97.02820	1.0
98.19823	1.2
99.00742	1.7
101.02322	2.9
106.04133	0.8
107.04911	0.9
109.02851	3.2
111.08023	1.5
113.02331	1.8
113.05919	0.8
115.69678	0.7
117.03362	1.0
119.04939	0.9
121.02848	3.3
123.04391	9.2
125.02331	2.2
128.03423	0.8
130.04147	4.1
132.02132	0.7
133.02849	66.2
134.03217	2.3
135.04419	4.4
137.02338	1.4
137.05945	1.8
143.04961	0.8
145.06491	8.1
147.04260	0.6
147.08095	0.9
151.03902	1.0
157.06465	2.2
159.04395	1.3
161.02342	2.4
161.04434	1.3
163.07491	0.9
175.07576	1.3
179.03319	1.0
189.05481	2.9
191.05527	2.2
201.05501	3.7
203.07022	1.0
203.14240	0.9
205.05032	1.1
207.06519	3.3
207.10233	0.9
219.06569	18.9
237.05310	0.9
237.07652	14.1
268.03732	1.8
281.04517	1.2
282.05341	1.3
285.39236	0.7
289.07181	4.4
293.04602	4.9
309.14493	0.6
311.12921	3.5
323.09247	11.2
323.12823	1.4
335.09183	3.5
335.47961	0.8
352.09528	2.4
353.10294	100.0
354.10617	9.7
354.14603	1.0
395.11407	4.1
427.34366	1.4
471.33334	3.5
515.15027	15.6
515.28845	2.4
516.15540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1559
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
54.52655	0.5
55.01730	0.6
57.03320	0.6
59.01248	11.5
70.82861	1.5
70.83207	0.8
71.01260	3.5
73.02806	1.1
83.01253	1.7
85.02800	2.1
87.04382	0.7
89.02314	1.4
89.03806	0.6
93.03304	0.7
95.01237	0.7
95.04903	2.1
97.02837	1.3
99.00744	1.5
101.02312	2.6
105.03335	17.7
106.03622	0.7
108.02045	1.1
109.02807	3.4
113.02322	1.8
119.03432	0.7
119.04862	1.1
120.99525	0.7
121.02834	2.1
123.04420	6.9
125.02329	2.2
131.03444	0.6
133.02849	44.5
134.03160	1.9
135.04390	2.0
136.01540	1.9
137.02313	2.0
143.23918	0.7
147.04414	1.0
149.02333	10.6
149.04431	0.8
149.09651	1.1
151.03796	0.7
157.06490	6.0
161.02332	2.0
161.05904	0.8
163.00267	0.7
163.03906	0.7
165.01804	0.9
167.03404	15.0
168.03694	0.7
171.04285	0.7
173.06265	0.5
175.07581	0.9
179.03389	0.9
179.10628	0.8
185.06030	0.6
187.03998	0.9
191.05623	1.3
197.06020	0.8
201.05547	3.7
203.07069	2.3
205.04985	1.6
207.10349	0.7
216.03865	0.9
219.06572	14.0
220.06967	0.9
221.11739	1.8
235.62195	0.6
237.07645	6.9
239.07036	1.7
245.08139	2.4
258.60455	0.7
279.06570	2.2
281.04492	1.8
282.05347	6.5
283.06097	19.0
284.06415	1.1
289.07153	10.9
314.04327	1.1
323.09091	1.3
325.07169	1.4
335.09244	13.8
336.09500	1.4
352.11490	1.3
353.10272	100.0
354.10654	10.9
395.11389	6.9
515.19757	7.7
515.26318	1.1
516.19891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86934	1.8
58.64796	2.0
59.01242	4.1
63.11381	1.8
66.80983	1.8
67.01774	4.6
68.65340	2.0
71.01237	4.6
71.57683	2.7
85.02811	3.6
86.74619	1.9
87.00744	2.4
93.03339	24.2
96.95904	2.8
109.02810	2.2
111.00776	2.7
111.04374	4.3
111.41978	2.0
126.87334	1.9
133.04668	2.0
135.04419	93.1
137.02339	4.5
143.25389	1.8
155.03448	4.5
161.02364	8.3
164.04736	4.3
172.90936	2.1
173.04471	57.7
173.05966	3.2
174.04839	3.1
179.03424	100.0
179.06924	10.2
180.03687	3.6
191.03935	3.9
191.05536	36.4
192.05774	2.4
192.66661	2.2
233.86488	2.2
341.04987	3.7
341.08801	54.7
342.09055	4.4
352.04688	1.9
353.08774	8.7
395.10007	3.2
515.13977	31.2
516.14288	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	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.7
67.01740	3.2
67.24844	1.2
69.94852	5.2
70.61289	1.2
71.01253	2.6
78.26247	1.3
85.02815	6.4
87.00737	4.2
93.03337	17.1
96.95880	1.4
110.83157	1.3
111.04358	2.7
122.06010	1.3
124.53358	1.2
127.03894	1.6
128.46721	1.1
133.02795	2.0
135.04401	18.1
136.04800	1.7
138.05499	1.2
146.03642	5.2
159.06557	0.9
159.59221	1.1
161.02345	8.4
164.04697	3.6
173.04430	4.0
179.03398	12.8
179.07059	12.2
191.05544	100.0
192.05864	2.6
270.13571	1.1
353.08728	14.2
395.09988	2.3
469.93262	1.1
471.19418	1.2
471.95532	1.2
473.16611	1.9
515.13959	53.2
516.14343	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	514.183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29246	0.9
59.01253	9.0
71.01248	6.5
71.56422	2.0
73.02809	2.4
85.02816	2.0
87.00807	1.2
89.02287	2.5
93.03346	1.5
95.04900	1.5
96.95905	2.3
99.00745	4.4
101.02325	2.3
108.04449	1.2
109.02872	1.2
110.02358	1.2
110.06001	3.1
112.03937	3.4
113.02326	4.1
118.06502	1.1
119.04906	0.9
121.05209	1.1
122.06028	14.0
123.00748	2.0
123.03155	8.0
123.68608	0.9
124.01507	1.4
124.03976	5.6
125.02341	2.2
135.04431	2.6
138.05515	27.7
139.05820	1.3
140.07048	1.6
144.01192	1.3
145.02861	1.7
146.03639	47.7
146.06047	7.2
147.04395	2.5
147.06783	3.7
150.05501	1.4
161.04707	1.6
161.05980	14.8
164.04707	34.6
165.05453	2.1
176.39015	1.2
177.01871	1.4
178.05048	2.1
179.07068	100.0
182.04471	2.6
183.05167	1.2
184.06160	5.0
190.99747	2.4
191.05511	2.7
193.03528	0.9
206.02136	1.4
221.04480	4.0
253.09804	1.8
257.12875	5.1
258.13660	1.1
267.11490	1.4
268.12289	2.2
269.12949	17.5
270.13199	1.6
285.12460	2.1
287.13983	5.1
300.11063	1.6
329.46207	1.0
380.16046	1.5
390.17917	1.6
408.19302	4.7
426.20398	2.5
434.17258	1.4
452.18268	13.4
453.18604	1.9
470.19333	25.8
471.19492	3.9
473.16693	14.9
488.00333	1.0
514.09882	3.5
514.17230	1.2
515.10999	1.5
515.17743	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	514.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51818	4.5
59.01253	20.8
61.98703	9.8
63.25569	4.2
66.18111	4.6
67.38149	4.1
69.54810	37.1
71.01262	11.3
76.07629	3.9
85.02834	8.1
87.00754	4.3
92.56451	4.1
93.03335	5.7
95.04891	5.8
96.95899	8.6
97.62319	3.7
99.00774	5.2
109.02853	8.7
110.02343	5.0
110.06020	19.5
112.03925	16.5
113.02360	7.1
121.02853	7.7
122.06011	28.5
123.03158	31.0
123.04439	6.6
124.03939	27.1
124.07590	16.0
125.02370	21.8
130.96304	4.5
135.04408	7.5
138.05510	100.0
139.05882	6.2
146.06032	36.0
147.06836	7.1
148.07565	7.2
151.03923	14.7
153.10884	4.3
154.08656	7.7
161.02394	6.7
161.04726	9.7
164.04771	8.9
168.00502	8.4
169.01323	8.0
172.81464	4.4
177.01895	18.6
178.02243	7.4
179.05678	6.6
179.07108	16.1
182.04553	11.2
184.06073	26.5
191.05530	11.8
246.51466	4.1
253.09727	7.1
255.11414	5.6
256.06976	4.6
257.12903	23.4
265.12128	4.6
267.11380	4.7
268.12088	12.2
269.12921	44.2
285.12363	7.4
287.14032	65.9
288.14377	7.7
331.13089	6.6
398.17438	6.7
408.19312	20.4
426.20380	14.3
452.18100	56.5
453.18677	6.6
470.19357	84.0
471.19696	10.7
514.06519	8.0
514.13116	6.8
515.18048	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	514.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.3
61.98721	0.8
65.16582	0.7
69.03338	1.7
70.00784	3.2
71.01251	3.7
73.02821	1.7
76.26227	0.7
82.88905	0.7
83.01259	1.1
85.02827	2.5
89.02319	1.3
93.03346	6.5
94.02862	8.4
95.01256	18.9
97.02823	0.9
98.19874	1.1
99.00753	1.1
101.02321	3.3
101.36736	0.7
103.65402	0.8
108.02051	7.1
109.02841	1.6
113.02325	3.0
118.30625	0.7
121.02834	1.5
122.03590	0.9
123.00771	83.5
124.01519	3.3
125.02375	5.1
135.04407	1.3
137.02330	5.1
143.04932	8.1
145.02817	1.4
149.02341	2.0
150.03194	0.8
159.04424	3.4
161.04478	0.9
169.02921	1.2
171.04431	29.1
171.05917	1.4
172.04771	1.3
173.02414	1.8
179.03380	1.5
179.10814	0.9
179.12456	0.7
186.03131	1.3
187.03952	8.2
191.05551	3.5
201.05547	1.5
211.13382	2.4
212.13777	1.5
214.02614	2.4
215.03445	30.2
216.04184	11.7
244.09714	0.9
256.07349	3.3
269.06641	1.8
270.07379	2.5
351.11121	100.0
352.11835	53.9
352.16458	1.6
353.12268	4.2
362.22147	0.8
364.11908	1.1
364.87079	0.8
366.13763	0.8
394.12921	12.7
395.13220	2.4
406.13077	2.7
470.32327	1.1
514.16968	6.4
514.26929	0.9
515.28455	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	514.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47651	1.9
59.01249	12.4
69.27354	23.2
71.01270	6.3
72.89802	2.0
73.02847	3.3
73.19102	2.2
73.20195	2.3
85.02814	15.9
89.02303	3.5
93.03348	4.0
95.04900	3.7
99.00790	4.3
102.45103	2.2
109.02845	3.6
110.02408	2.9
110.06037	8.3
112.03951	5.5
113.02348	4.1
116.35822	2.2
118.06562	2.8
122.05992	39.2
123.03142	21.9
124.03905	14.8
125.02363	3.5
133.02861	10.1
134.08189	2.5
135.04384	4.9
138.05501	82.2
139.05820	3.6
140.07069	4.2
146.03638	23.5
146.06012	28.2
147.04453	2.3
147.06783	7.6
148.07591	4.4
151.03856	3.1
160.01601	4.8
161.02354	54.4
161.04646	7.7
161.06003	9.8
164.04718	13.2
178.05032	6.9
179.03481	5.5
179.07066	46.3
181.91731	2.2
182.04524	9.9
183.05244	3.4
184.06078	16.2
184.07530	2.6
191.05550	100.0
210.38904	2.0
223.04662	2.6
246.09839	2.4
253.09758	6.8
255.11172	2.9
257.12915	17.1
267.11331	8.4
268.12094	7.7
269.12915	48.8
270.13269	4.7
285.12396	7.8
287.13998	11.4
290.80890	2.7
300.11191	4.8
313.11905	4.2
323.07690	38.2
331.12772	3.4
346.23099	2.4
353.08621	4.8
380.16156	5.6
381.51224	2.7
390.18170	4.5
408.19312	7.1
426.20581	5.8
434.17062	6.8
452.18329	29.9
470.19397	39.6
471.19635	8.0
473.17007	4.3
514.17462	4.0
515.13702	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.55101	0.2
58.00469	0.2
59.01250	7.0
65.12075	0.2
69.26559	0.2
69.26755	1.0
69.27166	1.2
71.01255	4.9
72.99166	0.3
73.02818	1.2
76.40891	0.2
77.54314	0.2
83.01257	0.6
83.04881	0.2
85.02823	0.9
87.00770	0.3
89.02322	3.3
95.01220	0.3
97.06504	0.2
101.02327	4.0
101.02992	0.2
103.13390	0.2
113.02327	1.7
119.03387	1.2
127.07596	0.2
133.04964	0.5
143.03429	0.4
161.04482	1.7
179.05563	1.0
225.34709	0.2
233.22653	0.3
235.08188	0.9
253.09261	16.5
254.09624	0.9
259.20709	0.4
272.53473	0.2
275.20166	0.3
277.21722	100.0
278.22067	9.1
377.17484	0.2
494.59067	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36275	0.2
53.83303	0.3
55.01737	0.8
57.03331	0.3
59.01256	7.9
65.28908	0.2
71.01252	6.3
72.99178	0.3
73.02818	1.6
80.72306	0.2
83.01269	0.9
85.02821	1.9
87.00742	0.6
89.02320	4.2
95.01275	0.5
97.02833	0.3
98.19788	0.9
101.02328	4.7
113.02327	2.4
119.03400	1.1
127.07556	0.3
131.03447	0.3
133.04933	0.4
161.04495	1.8
169.93866	0.3
179.05534	0.6
199.04919	0.2
205.19722	0.3
229.43843	0.3
235.08197	0.8
251.04498	0.3
253.09276	15.4
254.09558	0.7
259.20508	0.4
275.20352	0.3
276.77307	0.2
277.21725	100.0
278.19022	0.4
278.22073	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	514.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27225	2.6
57.03309	2.7
59.01250	33.8
62.55262	2.0
67.01769	4.5
69.46018	22.1
70.77659	2.7
71.01253	38.6
72.01566	3.2
72.99188	3.3
73.02824	13.2
74.02351	6.6
75.01200	2.2
78.95771	18.7
81.03375	3.0
83.01270	4.4
83.04905	6.3
84.04439	4.7
85.02815	23.4
86.03199	3.1
87.00771	6.3
89.02315	27.3
93.03352	45.6
96.95905	15.6
96.96843	21.3
99.00747	5.6
99.04393	5.2
100.03955	3.6
101.02337	10.7
107.93224	3.0
109.02832	4.2
110.05994	6.4
111.00739	6.4
111.04377	15.3
113.02338	23.7
116.03400	8.1
119.03394	8.2
122.02359	3.7
126.05547	3.7
127.03959	2.8
128.07057	7.8
129.01855	3.6
130.04976	25.8
131.03407	4.6
133.01355	4.6
135.04433	35.2
137.02342	15.4
143.03404	4.2
143.81979	2.8
149.04359	2.8
151.06027	4.1
154.01385	3.7
155.03406	7.8
161.02357	5.6
161.04515	3.1
171.04092	3.5
172.01614	7.2
172.06078	100.0
172.07553	5.9
173.04478	73.4
173.06038	4.0
179.03438	31.1
179.05545	14.1
191.05577	53.3
323.07590	3.4
341.10968	67.0
353.08868	6.4
377.08511	56.1
378.08649	3.1
383.91574	2.5
430.26224	2.9
454.12842	6.8
473.15350	3.4
514.15192	15.8
515.14954	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	513.2703
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01756	2.8
58.00473	3.6
59.01252	74.2
69.03318	1.8
71.01255	71.0
71.58560	2.2
72.86133	1.6
72.99192	4.4
73.02821	22.4
73.26915	2.0
76.20663	1.5
83.01254	7.1
85.02828	14.1
87.00742	2.9
89.02321	70.4
89.63210	1.7
95.01263	4.3
97.02834	4.1
99.00764	19.2
101.02322	46.7
102.31571	1.7
109.02833	2.3
113.02320	22.4
119.03391	16.5
121.02796	1.8
123.00801	4.5
125.02353	7.2
131.03383	10.9
136.97115	1.8
137.02362	6.3
143.03397	4.8
149.04474	21.2
159.02850	2.5
161.04446	16.9
165.01849	4.9
169.12326	2.3
171.10205	2.8
179.05542	4.1
187.07590	2.6
191.05536	10.1
209.11751	4.7
211.13351	6.2
233.06650	3.2
258.16690	1.7
284.61209	1.6
291.13638	1.8
293.08752	1.8
352.11948	3.7
381.22845	22.9
382.23181	2.6
513.27094	100.0
514.27594	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	513.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15157	0.3
59.01252	1.4
59.22926	0.2
66.33637	0.3
69.32368	2.8
71.01260	0.6
73.02837	0.3
75.14027	0.2
79.05402	0.5
83.10922	0.3
85.02815	0.4
89.28545	0.3
93.03333	7.5
99.00752	0.5
107.04917	4.0
109.06443	0.3
113.02306	0.5
119.04918	100.0
120.05253	3.1
121.02856	0.5
131.24129	0.3
133.02879	0.3
134.03656	1.5
135.04449	0.3
145.10168	0.4
147.04387	1.3
148.05237	1.3
159.04402	0.6
159.11865	0.3
160.05220	0.5
162.03160	1.0
166.02618	1.5
171.08057	0.6
173.06003	1.5
174.06805	1.1
177.09097	1.0
187.07549	0.3
189.09140	72.3
190.09483	3.6
203.10713	24.7
204.11101	1.4
215.10724	2.0
231.10260	0.4
252.08813	0.3
291.89386	0.3
309.14951	33.4
310.15329	2.6
329.49573	0.3
356.90503	0.4
379.04315	0.3
513.21155	0.4
515.44080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
58.00465	0.6
59.01253	26.6
60.01588	0.5
67.87733	0.4
69.03319	1.1
69.53822	1.1
69.54244	2.7
71.01257	17.1
72.99187	1.0
73.02821	18.8
75.00766	0.5
79.05431	0.6
81.03338	1.5
83.01259	4.8
83.04929	0.4
85.02824	3.3
87.00762	1.8
87.04398	1.4
89.02312	4.0
93.03340	1.1
93.06973	0.9
95.01268	1.2
95.04911	1.5
96.95903	2.4
97.02823	3.2
98.19795	0.7
98.95509	1.0
99.00757	1.2
101.02328	10.8
106.04081	0.5
107.04882	0.9
108.02058	0.6
109.02829	2.4
112.73952	0.4
113.02321	3.7
119.03414	1.3
121.02822	0.5
121.06490	7.2
122.03642	1.7
122.06877	0.4
123.04429	6.6
125.02322	3.0
131.03374	0.7
133.06433	0.5
134.03612	0.5
135.04425	8.3
136.05179	1.4
137.02365	4.5
137.06018	0.7
138.02907	0.4
143.03484	0.5
143.08504	0.5
147.04399	1.1
148.05200	1.7
150.03154	0.8
151.03920	2.2
152.04652	0.7
159.11737	0.9
161.02440	0.7
161.04510	1.2
162.03081	0.6
163.03882	3.1
173.04529	0.9
173.06007	2.4
175.03973	0.5
175.07578	1.0
177.01924	1.0
177.05579	0.6
177.09143	1.0
177.12807	0.5
185.09677	3.0
187.07573	0.9
189.09161	0.7
191.05531	1.8
202.09845	0.6
203.10728	46.0
204.11044	2.8
205.12308	3.5
213.09157	1.1
215.10745	0.9
221.11812	1.2
233.11684	0.6
240.51270	0.4
273.15060	0.7
289.07138	0.5
291.16040	12.6
292.16406	1.3
293.17606	8.0
294.17847	0.5
298.18408	0.4
307.15491	1.3
309.17090	14.1
310.17435	1.4
333.17157	1.2
351.14349	0.6
351.18042	3.0
352.18079	0.5
426.27563	0.5
453.21326	19.0
454.21725	2.1
471.22369	21.9
472.22659	3.0
513.23413	100.0
514.23792	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	513.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86520	39.2
57.80637	41.1
59.01257	78.9
70.53905	34.4
71.45178	100.0
73.85086	34.6
77.99642	35.1
78.95723	60.1
105.29836	39.1
117.59563	35.3
121.80349	37.0
231.09586	38.2
249.67201	37.2
285.48373	37.3
319.40833	53.3
362.92355	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
60.06288	0.3
64.78064	0.2
70.77148	0.2
71.36272	0.5
79.05396	0.4
93.03323	2.1
107.04915	3.5
119.04919	100.0
120.05260	3.0
134.03636	1.1
145.10190	0.5
147.04471	0.8
148.05231	0.3
159.04411	0.5
166.02602	1.3
171.08026	0.4
173.05995	1.5
174.06822	1.1
177.09209	0.3
189.09142	77.3
190.09486	3.8
203.10715	7.7
203.21162	0.3
204.10960	0.4
215.10793	0.5
219.08159	0.5
309.14969	26.6
310.15286	2.4
497.01978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21058	1.1
56.09722	1.2
59.01251	43.8
61.98695	4.2
65.00195	1.9
65.54561	1.2
69.03313	1.4
69.34823	1.1
71.01247	13.3
71.59270	2.0
73.02802	5.4
77.45808	1.3
81.39661	1.1
83.01247	3.7
85.02819	11.0
87.00764	2.5
87.04372	1.3
89.02321	7.1
91.01736	1.5
93.03333	12.3
93.91860	1.0
96.95893	2.3
99.00748	2.8
101.02335	7.4
107.04915	1.1
109.02850	2.0
111.00758	4.5
113.02344	5.9
119.01267	6.4
119.03404	3.0
119.04874	2.3
121.02841	18.8
122.18947	1.4
123.04392	4.8
124.01591	1.4
125.02354	2.0
129.01794	3.4
133.05302	1.1
134.03619	2.6
135.04413	4.9
135.08104	1.3
137.02328	8.9
139.03844	1.8
143.03453	2.0
147.00783	13.6
147.04407	1.4
149.02338	16.0
151.03899	9.3
152.04681	6.6
161.02364	2.7
161.04424	4.0
163.03920	5.9
164.04697	12.1
165.01840	5.0
165.05418	1.6
175.00317	10.9
176.96832	3.7
177.01805	4.1
178.02554	1.3
179.03363	1.4
190.02638	15.1
191.03351	2.2
191.05479	2.0
191.07123	1.7
193.05016	1.6
196.03705	15.2
203.10535	1.4
205.03331	1.4
205.05017	13.9
208.03761	2.2
211.05995	6.6
217.01430	1.4
219.10161	1.4
223.06087	11.3
258.33694	1.5
279.08835	1.5
280.09454	4.7
294.11032	2.9
295.11835	9.5
301.64575	1.1
308.09076	4.2
309.13684	3.0
322.36505	1.3
323.11334	10.8
336.12109	1.5
337.12973	4.1
423.12952	4.5
438.15201	3.7
438.96042	1.5
441.14029	4.4
453.17694	28.2
453.24866	3.5
454.17969	2.9
456.16614	1.8
471.18713	30.4
472.18985	2.0
483.14941	6.3
498.17450	7.5
513.19739	100.0
513.26361	3.8
513.31439	3.1
514.20068	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	512.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	28.1
58.34114	3.3
59.01248	63.8
71.01251	34.2
71.57120	4.6
71.57562	5.6
72.99182	4.3
73.02824	22.8
81.03338	3.6
83.01273	9.0
85.02821	7.1
89.02312	32.3
96.95923	4.8
99.04391	30.3
101.02315	42.9
103.00195	3.6
113.02337	20.3
116.05056	3.5
119.03381	15.9
123.04406	12.0
125.02374	8.7
131.03426	4.2
139.00021	3.6
143.03403	8.1
144.04462	100.0
149.04527	4.8
161.04469	59.5
164.06429	3.7
179.05530	21.8
188.03452	9.9
233.06792	4.5
263.07776	15.9
323.09668	8.1
340.59344	4.3
368.09760	21.6
370.58936	3.8
451.17313	5.4
512.14233	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	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.7
59.01253	12.6
65.32065	0.3
65.46309	0.4
66.90367	0.4
69.53176	3.4
71.01257	6.8
71.01611	0.5
73.02824	4.0
83.01282	1.0
85.02817	2.9
87.00791	0.5
89.02326	2.1
96.95898	0.6
97.76606	0.3
97.82646	0.3
98.20460	0.9
99.00761	5.8
101.02328	4.5
109.02854	0.8
110.17731	0.5
112.36895	0.4
113.02328	5.5
125.02360	1.5
129.01840	0.6
131.02148	0.4
131.03383	0.7
134.03679	0.9
136.01555	0.5
137.02364	1.6
143.03401	0.6
151.03902	0.7
161.02364	7.6
161.04482	1.5
162.03140	78.2
163.03543	3.7
177.05496	100.0
178.02432	0.4
178.05841	5.3
182.21071	0.5
191.05551	1.6
202.99274	0.4
203.05504	0.8
219.13785	0.4
275.07654	0.6
291.15942	0.7
303.47281	0.4
303.93878	0.4
309.17047	0.7
381.11810	0.6
453.21082	0.5
471.15155	13.3
471.21860	1.8
472.15225	1.5
513.16180	11.7
513.23218	2.1
514.16046	2.2
514.23657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.4
55.78535	2.7
57.03318	4.0
58.00440	3.2
59.01253	68.6
62.56380	2.3
64.54443	2.7
68.89783	2.6
69.64938	9.3
69.65351	8.6
71.01256	54.1
72.99193	4.9
73.02832	6.1
73.87729	3.2
80.04900	4.2
83.01275	6.0
85.02824	14.6
87.00748	16.4
89.02314	43.8
92.04993	2.3
94.67569	2.4
95.01246	4.5
99.00752	3.5
101.02328	37.7
108.04476	4.0
113.02304	18.7
119.03413	19.8
121.05219	6.5
122.06011	34.4
123.03179	3.6
125.02368	4.9
136.07553	4.7
138.05498	16.7
140.07112	3.2
148.03952	5.9
149.04701	7.5
150.05476	10.8
158.06056	4.0
159.06758	3.9
161.04527	3.3
164.07144	3.0
165.04166	5.9
166.04976	12.3
173.08308	4.9
174.12779	4.3
175.03969	2.9
177.01837	2.8
184.11247	11.0
186.09167	2.5
188.07077	9.8
189.07794	3.7
191.05583	3.7
202.12274	22.0
204.06575	13.8
216.06699	13.2
216.08578	3.9
217.07390	10.0
218.08130	3.5
223.04381	2.7
227.08070	5.0
228.10335	4.6
229.09811	17.2
231.09087	4.6
231.11308	52.3
243.11336	4.7
246.11386	21.7
253.09805	8.8
255.11270	3.2
269.12872	3.4
270.09921	4.3
271.10861	57.1
272.11285	4.1
292.98578	3.0
312.10876	4.4
328.10254	4.0
346.11481	6.3
397.13803	9.9
433.16257	4.7
451.17218	54.2
452.17377	8.2
469.18167	12.0
470.18021	4.8
495.16251	8.6
513.17230	100.0
514.17609	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	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70528	1.0
53.77491	1.0
59.01244	4.3
59.18393	1.0
71.01256	3.1
73.22452	1.2
76.74208	1.1
78.10640	1.0
80.02538	1.8
81.03324	2.5
81.08371	1.2
83.04891	7.7
84.02022	1.4
87.09550	1.2
93.03317	2.1
94.31448	1.0
95.04889	2.0
96.95861	1.3
97.06470	1.3
101.02302	1.4
109.06466	1.5
109.82498	1.2
114.29436	1.2
123.08085	3.1
125.02209	1.1
125.05973	1.4
125.09601	4.9
133.11530	1.1
135.08101	2.6
149.09627	2.2
161.04376	1.2
163.11198	5.1
165.12735	3.2
171.10182	45.4
172.10547	1.4
181.12274	1.9
185.11723	2.3
199.13362	1.7
203.14240	1.7
209.11768	100.0
210.12144	4.1
211.13329	4.0
217.15894	1.7
221.11775	2.5
223.13327	2.1
225.11208	1.4
226.90919	1.2
227.12840	19.9
229.12379	1.3
239.12869	1.2
247.13362	12.9
248.13530	1.3
253.09209	1.6
265.14447	3.5
275.20020	2.2
357.24536	1.6
367.61569	1.3
375.21677	2.5
375.25760	1.4
383.22452	1.8
391.24835	1.3
393.22238	1.2
401.23294	4.7
419.24222	3.3
437.25610	1.6
449.25467	4.2
475.27005	5.6
493.28036	3.8
511.29013	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	511.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.8
57.03306	1.5
59.01254	100.0
60.01588	1.9
61.98711	3.5
68.44900	0.8
69.03320	1.9
71.01254	41.2
71.04882	2.3
71.58968	1.7
72.99174	2.9
73.02823	32.9
73.73853	0.8
78.38303	0.9
81.03325	1.1
83.01270	11.3
85.02834	10.2
87.00748	1.8
87.04391	8.9
89.02322	9.4
95.01259	2.4
95.04911	1.0
95.44058	0.8
96.95894	1.3
97.02836	1.8
99.00772	4.0
99.04412	1.4
101.02323	34.9
101.78134	1.0
104.98711	0.8
109.02808	1.1
112.01533	0.9
113.02337	15.1
119.03377	4.1
123.04380	1.0
125.02343	4.7
127.03910	3.2
131.03384	2.6
135.04424	2.3
137.02354	1.4
143.03416	3.0
143.70999	1.0
144.95996	0.9
149.04433	2.3
155.03381	1.2
161.04501	8.3
163.03929	3.5
168.07817	4.0
174.97153	3.2
175.07565	2.6
177.01958	1.0
177.09113	1.1
178.06216	4.5
191.05624	1.2
193.08582	4.7
197.55423	0.9
201.09113	3.3
203.05482	1.4
271.17139	5.5
289.18082	1.6
310.97330	0.8
337.02634	2.6
379.03598	2.3
433.22327	6.2
436.19455	1.2
451.05661	1.4
451.23386	5.5
469.06781	13.1
469.24490	1.3
470.06818	1.2
493.24457	12.4
494.24921	1.3
511.07718	7.7
511.18088	1.4
511.25146	4.8
512.08142	1.3
512.25531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98678	0.7
62.70340	0.4
71.50072	0.5
78.95779	20.5
91.51712	0.4
96.96833	1.5
150.97856	0.6
152.99495	32.9
153.99792	0.8
171.00546	1.7
227.03181	4.4
235.87045	0.5
245.04327	1.8
260.52032	0.5
281.24854	100.0
282.25241	9.1
466.35770	0.4
509.28857	47.4
510.29245	5.5
527.00812	0.5
537.98029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.8
55.89739	0.6
57.03326	1.2
58.00471	0.7
59.01254	14.8
61.98699	1.1
71.01260	13.2
71.59306	0.7
72.99186	0.7
73.02824	6.3
78.95779	0.6
80.96375	0.7
83.01244	2.2
85.02834	7.0
87.00735	0.9
87.04393	100.0
87.38737	0.5
88.04713	1.0
89.02316	3.7
95.01261	1.0
96.60307	0.5
97.02821	0.9
99.00753	4.8
99.49462	0.5
101.02331	7.1
113.02346	5.3
125.02351	1.2
131.03375	0.8
135.04427	1.0
135.08051	0.9
137.11426	0.5
138.06816	0.7
149.05963	1.1
153.09082	1.8
161.04466	3.6
171.10202	1.0
191.05519	0.7
207.10179	0.6
209.11774	1.4
213.14828	1.1
217.10785	4.0
218.31145	0.7
225.11192	1.2
225.14859	0.9
327.11722	0.7
341.23260	2.4
343.21716	0.7
359.20990	0.9
377.21655	3.7
377.25772	0.9
421.20297	0.8
434.16940	0.9
465.23074	1.1
509.25989	42.0
510.26447	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	509.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03323	1.0
58.00464	0.4
59.01251	8.1
61.98689	0.7
64.54901	0.3
69.03332	0.4
69.40037	3.5
71.01256	10.0
72.99173	0.7
73.02819	4.7
74.51443	0.3
75.00713	0.4
80.96384	1.7
83.01274	1.3
85.02825	4.5
86.69486	0.4
87.00746	0.4
87.04388	100.0
87.28474	0.4
88.04720	1.8
89.02319	2.7
91.41335	0.3
92.70893	0.4
94.97976	0.7
95.01254	0.6
97.02799	0.6
99.00761	3.3
99.04365	0.7
101.02335	5.4
112.93394	0.3
113.02327	2.6
115.03873	0.5
125.02301	1.2
131.03441	0.4
135.04405	0.4
137.02272	0.4
143.03389	0.5
159.02863	0.4
161.04478	1.9
171.10036	0.4
179.07042	0.6
191.05544	0.7
202.55460	0.4
209.11804	0.4
213.14879	0.6
213.24869	0.4
225.00700	0.5
238.78259	0.4
258.72205	0.4
289.16476	0.5
307.17542	0.6
311.12854	0.5
341.23337	0.8
349.18906	0.4
377.21704	2.8
421.20813	2.8
431.81067	0.4
439.21539	1.1
509.17065	4.8
509.25839	28.7
510.18243	0.9
510.26178	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	508.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.3
59.39346	0.9
65.00191	1.2
70.61677	1.0
71.01257	5.5
71.58411	1.1
73.02816	4.3
75.00758	3.1
83.01259	1.6
85.02801	1.9
86.02291	1.1
89.02315	1.2
89.22434	1.0
96.95916	2.6
101.02332	3.7
107.01266	1.2
108.04428	3.3
109.02824	2.3
112.03954	1.0
113.02309	1.9
119.03422	1.4
120.17650	0.9
121.02788	1.0
123.04419	15.9
124.01556	2.6
125.02308	1.8
135.04428	2.4
136.01590	1.3
137.02345	43.4
138.02678	1.3
139.03886	1.4
150.03157	1.4
151.00256	6.3
151.03917	41.0
152.00696	2.0
152.03467	5.1
152.04683	37.6
153.05060	1.8
161.04463	1.3
167.07077	4.1
177.01947	1.9
178.02644	3.2
191.05579	1.2
193.05026	3.0
195.02885	2.6
196.03703	100.0
197.04108	4.3
211.06062	63.2
212.06384	3.6
285.03992	1.6
286.04401	2.3
346.11304	2.5
355.10110	2.3
393.84811	1.1
493.12189	10.3
508.14688	31.9
508.22134	2.5
509.14914	3.6
509.30157	1.5
530.34985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19378	3.7
53.94736	4.2
57.03314	7.4
59.01253	100.0
61.98712	46.4
65.78261	4.1
70.22813	5.1
71.01252	33.2
71.59450	7.9
72.99191	6.7
73.02834	20.1
82.02418	4.1
83.01242	5.2
85.02812	21.3
87.37017	5.0
89.02319	5.3
96.95887	4.3
99.00755	10.4
101.02337	23.6
113.02324	12.8
119.03425	4.1
135.04440	6.4
137.02310	4.7
161.04459	11.4
209.11813	5.0
213.14810	6.0
268.19946	6.0
291.18048	9.9
377.25412	6.6
389.66580	6.6
423.22354	16.6
465.23227	40.1
466.24756	4.8
509.29251	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	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.4
58.94109	4.7
59.01254	100.0
61.98708	13.8
70.92278	5.6
70.92614	10.7
71.01255	40.8
73.02824	20.9
83.01245	9.7
85.02821	14.3
89.02314	12.8
99.00730	6.6
101.02321	36.9
113.02343	21.0
131.84203	5.1
161.04503	10.2
209.11595	5.9
213.14909	12.4
285.53818	6.7
286.37982	6.1
291.18188	17.1
319.79425	4.8
329.80621	5.6
367.38855	5.2
377.25354	12.2
386.01306	5.3
417.73914	5.0
423.22525	27.5
439.46561	4.9
445.12555	5.7
465.23349	49.1
467.24249	5.8
509.16806	9.5
509.29364	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	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31905	0.4
59.01257	0.7
65.49492	0.4
66.43032	0.4
70.78192	0.4
75.30942	0.4
78.95778	6.7
93.84239	0.5
96.96826	0.5
126.53069	0.4
137.84425	0.4
144.58020	0.4
152.99493	12.7
162.62668	0.4
171.00531	0.8
183.16142	0.4
210.06131	0.5
227.03252	2.6
229.65887	0.5
245.04327	1.6
261.22061	0.5
279.23297	100.0
280.23630	9.4
282.25220	1.0
402.76788	0.4
507.27280	20.3
508.27856	2.4
524.25122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.9
73.69998	0.7
78.95780	20.2
78.96214	1.5
96.96851	1.8
99.82110	0.8
113.81283	0.8
152.98317	1.7
152.99504	30.4
156.33516	0.8
171.00560	1.6
171.10228	1.3
227.03297	5.9
229.45543	0.8
245.04390	2.6
279.23294	100.0
280.23627	8.6
507.27271	46.9
508.27441	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	507.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.0
66.03366	1.5
70.64558	2.1
71.02370	1.7
73.03934	3.7
78.70995	0.7
81.08767	0.6
83.02367	1.4
84.00778	2.1
93.03322	1.7
97.00291	0.8
98.20579	0.6
99.01870	2.8
107.04890	0.9
110.01054	0.9
111.01886	1.7
113.03433	1.2
115.08662	5.8
115.42723	0.8
116.04915	0.8
116.13493	0.5
118.06531	1.1
119.04925	11.4
125.07088	2.1
126.03028	0.8
126.05495	2.1
126.66321	0.5
133.05194	1.4
134.05978	1.2
137.07124	5.3
141.06631	3.4
142.55914	0.6
146.06033	5.0
153.06592	1.8
154.09729	1.4
155.03285	0.6
155.08156	3.8
157.05225	1.0
160.07684	0.7
162.05557	2.9
169.13382	0.7
170.09251	4.9
171.10243	0.8
172.10826	12.2
175.08655	1.4
179.08180	1.7
179.11819	1.1
186.05498	0.8
197.12860	1.7
198.08751	2.3
200.10681	1.6
202.12379	1.2
203.08185	1.5
214.15504	5.2
227.11525	0.8
228.10225	2.6
236.13991	1.1
240.13548	1.1
243.11464	0.7
245.12949	5.6
262.15552	7.2
296.14722	0.7
299.17599	0.7
326.18558	1.5
383.21494	0.8
387.20346	1.1
401.21906	31.2
402.22284	3.1
452.36829	0.6
507.26096	100.0
508.26447	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03335	1.4
59.01252	30.2
60.02287	1.1
61.98697	0.8
62.68222	1.0
71.01251	12.6
71.58439	1.3
71.58859	1.1
72.99196	1.5
73.02834	4.0
79.05904	0.8
83.01269	1.8
85.02828	5.6
85.28866	1.0
87.00742	1.0
87.42808	1.0
89.02308	5.8
99.00765	1.8
101.02299	9.9
113.02332	7.3
119.03397	1.8
119.04867	1.1
135.04491	1.1
148.05208	0.9
151.03867	0.9
161.04482	4.8
171.08083	31.5
172.08455	2.0
183.13824	5.4
193.12221	1.8
211.13342	100.0
212.13730	5.5
253.09236	16.0
303.15942	1.2
416.60712	1.0
447.22211	4.0
457.98837	1.2
465.17612	3.0
507.19199	1.4
507.27972	1.8
507.36008	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06969	0.6
58.00473	0.9
59.01253	100.0
60.01571	0.9
65.00203	0.9
65.07844	0.6
69.03303	0.8
69.89358	2.2
69.89762	1.1
71.01255	24.4
72.99189	1.2
73.02821	33.7
75.00723	0.7
83.01263	8.2
85.02810	4.3
87.00771	1.6
87.12374	0.6
89.02328	7.7
95.01273	1.4
97.02847	1.5
98.19829	0.9
101.02323	29.0
107.01242	0.6
113.02335	12.7
119.03417	4.6
125.02315	1.6
131.03416	2.6
137.02364	2.0
143.03394	3.2
149.04456	4.4
151.00323	2.1
151.03966	2.4
152.04691	1.6
155.03386	0.9
161.04480	12.4
163.40022	0.6
179.05426	1.0
196.03653	4.0
203.05635	1.5
211.06110	2.1
221.06665	3.6
243.16040	0.8
285.04254	0.9
303.08762	0.8
345.10855	1.9
383.94897	0.7
387.20099	4.8
405.21399	3.1
431.45941	0.8
447.22174	4.5
508.14697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.04205	1.6
63.38036	1.6
67.37329	1.9
69.39326	15.0
71.01256	10.2
73.02834	2.7
85.02831	4.6
87.17040	1.8
88.23787	1.6
89.02321	4.5
96.95918	1.8
98.03596	1.8
101.02316	6.3
113.02338	6.7
115.60015	1.8
153.09146	3.7
161.04456	5.2
225.14920	2.9
243.15959	17.2
258.86725	1.7
387.20242	36.9
388.20367	5.1
405.21335	11.7
447.22244	11.7
465.23596	2.4
466.12305	1.8
500.08710	2.0
503.58685	2.0
507.20374	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	17.4
61.98717	1.0
71.01263	4.4
71.54140	1.0
71.54483	0.8
72.99182	0.8
73.02809	1.6
75.15224	0.6
75.63317	0.6
77.60313	0.7
85.02824	2.2
89.02324	2.7
99.00748	0.9
101.02336	4.1
113.02347	2.6
117.83308	0.7
119.03389	1.1
124.36202	0.7
125.02364	0.8
135.04422	1.4
145.02867	0.8
161.04427	0.9
171.08112	0.8
183.13837	5.7
193.12215	1.7
211.13341	100.0
212.13696	5.8
253.09271	12.6
254.25682	0.7
255.10216	0.6
261.65921	0.7
284.04395	0.8
447.22552	2.3
507.20197	0.8
507.27707	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	507.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
69.35329	47.3
69.35742	13.1
71.01247	55.5
73.02811	19.5
81.53333	5.2
83.01275	10.1
85.02839	18.4
87.70815	5.5
89.02322	23.4
99.00770	22.7
101.02333	23.6
104.46001	5.8
113.02316	15.4
161.04474	7.0
191.05487	11.4
238.75789	6.3
243.04770	5.4
270.58926	5.8
289.16635	9.5
378.94714	5.5
421.20752	19.6
463.21912	25.2
507.23715	46.9
508.24619	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.8
59.01252	100.0
60.01577	1.0
61.98711	1.5
71.01255	20.2
71.38492	1.0
73.02825	5.9
74.52660	0.6
75.00755	0.9
83.01268	2.6
85.02831	8.0
87.00741	1.3
89.02316	9.1
95.01254	3.6
95.04902	1.8
97.02835	8.6
99.00752	1.4
101.02322	11.4
108.02073	0.7
109.02831	0.9
113.02333	16.7
119.03413	3.8
121.02872	1.3
122.03661	2.4
122.95279	0.7
123.04444	1.4
124.01544	0.6
125.02367	2.2
131.03415	1.3
137.02341	3.6
138.03136	0.9
139.03889	1.0
143.03426	1.9
149.02429	1.0
149.04559	1.8
153.05511	0.7
161.02429	1.4
161.04474	13.4
163.03970	1.7
164.01059	0.8
165.01892	2.5
166.02657	0.9
178.29781	0.7
179.05591	2.3
181.05151	0.6
201.05638	0.7
204.04268	2.2
217.08821	1.7
219.06616	1.1
220.07439	2.9
235.09775	1.6
243.16068	1.9
244.07483	2.8
259.09836	0.8
285.07764	3.2
285.12344	0.8
303.08746	36.3
304.09247	2.9
309.17059	1.8
327.08661	3.7
345.10806	1.4
387.20233	19.5
387.24994	1.3
388.20862	1.7
405.21286	3.6
431.19199	0.9
447.22397	4.6
507.20624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39323	2.6
69.65170	12.1
69.65578	10.1
72.31070	3.1
72.38750	3.0
74.50102	3.0
87.00757	25.4
95.23730	3.2
96.95908	10.1
105.01833	25.7
107.69819	2.8
142.68939	2.9
147.02882	3.6
165.03972	100.0
167.79701	2.9
232.18930	3.5
235.76825	3.3
270.70511	3.1
466.15030	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	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	6.1
59.01253	92.8
63.05927	2.5
69.45898	5.9
69.46297	18.3
71.01252	41.0
73.02812	21.8
73.03961	2.1
83.01260	7.4
85.02823	16.1
87.00770	2.9
89.02322	17.6
99.00758	21.8
101.02330	20.2
107.04907	21.4
109.89268	2.7
113.02322	14.5
116.41301	2.3
117.03338	4.5
118.95932	2.2
119.04907	5.4
125.02308	2.6
131.03354	3.8
135.04459	3.2
143.03377	4.2
145.02852	5.7
149.04442	7.8
161.04434	9.3
177.02013	3.5
191.03984	2.5
191.05505	15.6
211.13341	4.8
213.09177	11.4
247.20764	4.3
265.21762	4.2
285.27869	2.5
289.16632	5.8
309.20688	9.7
327.21878	16.0
329.05939	2.4
333.13287	2.7
345.22867	21.1
346.22986	3.5
375.24036	3.8
421.20663	5.4
463.21649	7.2
465.17578	7.1
465.23584	2.9
507.19315	10.5
507.28000	100.0
508.28387	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	507.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82656	0.6
57.03301	0.9
59.01250	24.8
67.01747	0.7
69.03312	2.2
71.01248	3.9
71.13645	0.8
71.16483	0.6
73.02814	1.4
80.02568	1.0
81.03303	2.1
83.01234	2.7
83.19324	0.5
85.02827	1.4
89.02309	1.5
93.03320	1.0
93.80581	0.5
95.01262	1.4
95.04900	5.4
97.02827	25.4
101.02325	2.7
106.06525	0.6
108.02042	2.4
109.02820	1.4
113.02328	1.6
119.03374	0.8
121.02827	4.5
122.03629	9.8
122.06032	1.2
123.04428	3.7
124.01539	1.7
124.07545	2.5
125.02354	3.5
129.99617	0.6
132.04454	10.3
133.05246	6.0
134.03638	0.7
134.06023	1.4
135.04353	1.0
137.02344	14.2
138.03151	3.2
139.03947	4.8
145.02980	0.7
148.01532	2.6
149.02316	1.9
150.03104	1.4
150.05583	0.6
151.03941	1.3
153.05450	1.0
154.02617	1.2
159.04437	1.7
160.05182	1.0
161.02351	3.0
161.04486	1.8
162.03149	1.5
163.03854	3.8
164.01067	1.5
165.01859	8.6
165.04216	5.1
165.05486	1.1
166.02657	2.9
173.06073	0.8
173.32660	0.6
175.03976	0.8
177.01877	0.8
177.04196	1.7
177.05594	0.8
179.03392	3.5
184.26895	0.5
186.09253	1.0
190.02606	0.7
191.03375	1.0
201.05525	3.0
202.06303	4.1
203.03532	0.7
204.04214	5.3
209.03258	1.9
214.12323	1.8
215.11893	1.4
217.08644	3.9
219.06564	4.4
220.07375	10.7
225.14886	0.6
226.06078	0.7
229.04973	1.0
231.06383	0.7
235.09755	6.0
240.10225	1.0
241.09621	0.7
242.05833	0.6
243.06593	1.0
243.15953	2.1
244.07391	10.4
257.12891	6.3
259.09766	4.0
261.07590	1.4
269.04382	0.6
270.05325	2.6
283.10928	4.2
284.11246	1.1
285.07642	7.2
285.11020	0.8
286.07864	0.7
301.11850	3.9
303.08740	100.0
304.09097	8.6
320.65781	0.7
327.08759	8.8
328.09164	0.8
345.10904	41.4
346.11066	3.1
357.09970	0.7
387.20334	4.5
405.20966	0.7
447.22430	1.6
459.88000	0.7
507.16235	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	505.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45224	1.4
57.03317	1.7
59.01248	11.4
61.98706	2.1
68.99684	2.1
71.01262	12.6
72.99163	4.0
75.00751	14.1
75.14463	1.4
78.95780	2.4
80.96410	7.2
85.02824	13.0
87.00755	4.9
87.91180	1.3
89.02302	2.4
95.01258	4.7
99.00757	7.3
103.00250	1.8
108.25986	1.4
113.02332	21.4
117.01855	2.2
138.78998	1.6
156.13367	1.8
175.02274	3.4
185.02080	1.9
193.48688	1.7
231.05130	1.6
249.06146	15.7
255.23264	100.0
256.23587	9.0
267.07260	3.3
279.23346	13.6
280.23672	1.5
421.22861	3.3
423.24634	2.2
447.25150	4.0
505.30173	77.0
506.30414	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	507.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52456	1.8
55.01753	2.4
57.03308	3.1
59.01250	22.4
67.01750	2.3
69.03341	2.9
69.37852	6.9
69.38279	12.4
71.01251	9.5
72.99159	2.2
73.02809	4.1
75.00753	3.2
77.62526	2.1
81.03345	3.4
83.01252	17.2
84.95137	2.3
85.02828	7.1
87.00732	4.6
89.02286	2.8
93.03317	5.7
95.01257	4.8
95.04910	4.3
96.95879	3.0
97.02837	16.1
99.00729	4.6
101.02321	5.4
107.04884	4.1
108.02066	3.2
109.02843	10.5
111.00755	6.1
111.04388	4.9
113.02315	6.8
119.04909	2.7
120.36655	2.0
121.02858	5.9
123.00738	3.4
123.04368	8.3
124.01505	3.4
125.02306	17.2
135.04398	4.1
137.02357	20.6
137.06058	2.8
139.00270	6.7
139.03944	14.1
140.00970	2.8
141.01831	17.9
147.04388	5.5
149.02345	4.6
149.05975	2.9
150.03169	3.0
151.03925	17.8
153.01840	32.8
154.02568	8.2
161.05934	2.4
162.03123	2.6
163.03906	5.6
165.01846	10.4
165.03033	2.2
165.05481	5.6
167.03403	15.5
168.04126	2.3
175.03912	3.9
177.01791	5.5
177.05429	2.3
179.03415	32.9
181.01350	29.9
181.04909	6.9
182.02132	19.2
183.02914	42.7
191.03441	12.1
191.05190	2.0
192.04190	3.4
193.04971	9.8
195.02893	12.0
196.03677	12.3
197.04422	4.7
203.03384	3.4
205.04987	2.6
207.02922	14.8
207.05023	8.3
208.64067	2.2
209.04439	9.0
211.02478	3.6
219.02893	8.6
221.04477	36.2
223.06073	2.5
224.03119	7.7
225.03992	87.9
226.04282	4.5
230.53423	2.2
235.05922	2.3
236.03030	2.1
237.04057	11.0
239.05676	3.7
249.03871	6.3
255.05089	36.6
267.05188	15.4
281.06656	6.2
285.06119	4.1
285.12262	3.7
297.06073	6.7
299.07657	22.7
303.07397	11.9
327.07162	7.3
327.13599	2.4
343.10223	8.6
345.08304	18.0
357.08359	3.7
369.08151	6.8
387.09320	77.0
388.09671	4.9
417.10889	2.8
454.33209	2.7
463.14700	3.3
507.13486	100.0
508.13727	7.7
508.20822	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.3
57.03315	4.6
58.00460	1.8
59.01253	40.7
59.56384	1.0
60.23203	1.0
69.33739	5.6
69.34168	4.8
69.97606	1.0
71.01255	61.3
72.99162	2.2
73.02821	26.1
73.57713	0.9
75.00787	1.0
83.01263	6.9
85.02824	28.9
85.99961	1.2
87.00720	2.0
88.76105	1.2
89.02327	15.4
95.01260	5.0
97.02824	1.2
99.00754	24.2
99.01353	2.0
101.02329	37.1
101.03004	1.8
103.24828	1.0
111.00819	1.1
113.02328	22.4
119.03397	3.6
122.10694	1.2
123.86771	1.1
125.02297	1.9
131.03409	1.9
143.03412	1.9
149.04489	5.1
159.02887	3.3
161.04477	19.7
169.19872	1.1
191.05588	6.8
211.16930	2.8
359.49854	1.1
373.22293	23.2
374.22443	1.7
417.20944	2.2
473.16980	1.2
505.26602	100.0
506.26898	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	505.3018
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01751	1.2
57.03329	2.8
58.00448	1.2
59.01248	15.9
64.54854	1.0
70.33454	4.4
71.01253	20.0
72.99173	5.9
73.02821	1.7
75.00740	18.5
78.95778	1.1
85.02820	21.8
87.00757	9.7
88.13750	1.1
89.02315	6.8
95.01269	6.3
98.20502	1.5
99.00755	9.1
101.02355	1.1
103.00226	2.0
113.02332	34.6
113.23621	0.9
114.02663	1.4
115.00287	1.8
117.01832	2.8
129.01807	1.3
135.03673	0.9
152.99515	1.7
175.02409	4.0
205.07153	3.0
249.06143	8.0
255.23271	87.6
256.23538	7.7
267.07220	8.0
279.23239	3.7
281.70892	1.0
306.45779	1.0
309.55377	1.1
322.29398	1.1
487.28922	2.9
505.30161	100.0
506.30515	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	505.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
57.03326	2.8
58.00454	1.9
59.01252	100.0
60.01586	1.3
69.03320	2.1
70.62308	1.3
70.62662	2.6
71.01256	56.3
72.01575	1.2
72.99187	3.5
73.02824	33.4
78.91779	2.2
81.03335	1.0
83.01253	6.9
85.02829	17.2
87.00766	2.5
89.02319	45.2
95.01269	3.6
96.95856	1.2
97.02820	1.1
99.00758	92.6
100.01112	1.2
101.02324	32.0
109.02854	1.1
113.02335	28.5
119.03394	6.6
123.04443	1.6
125.02325	5.8
131.03387	11.4
143.03365	5.0
149.04463	33.9
150.04832	1.3
151.03983	1.8
155.03403	3.4
159.02922	1.5
161.04462	20.3
179.05547	1.9
191.05539	42.1
192.05905	1.9
203.05559	14.8
233.06612	3.3
243.24454	1.0
271.02499	2.1
300.02756	3.4
301.03519	1.2
313.74832	0.9
331.17709	2.5
373.18658	1.9
373.22498	15.0
374.22726	1.5
447.31857	0.9
463.21738	11.2
464.22168	1.1
505.10013	2.3
505.27118	49.3
506.27240	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	505.2656
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
51.28772	0.6
52.22374	0.7
55.01757	1.9
57.03312	1.5
58.00463	2.3
59.01251	53.3
59.72210	0.6
60.01597	0.7
69.85418	3.8
70.73656	0.6
71.01254	40.0
72.01578	0.9
72.99184	3.4
73.02820	9.5
83.01260	5.0
85.02821	12.2
87.00768	1.9
87.70494	0.8
89.02320	29.1
90.02673	0.9
93.03373	1.4
95.01252	3.2
97.02813	0.8
99.00758	14.3
101.02322	24.8
109.02824	1.8
110.11356	0.7
113.02334	16.9
118.82974	0.7
119.03384	10.2
121.02854	1.5
123.04458	1.0
125.02354	2.6
125.88838	0.7
128.03304	0.7
129.01851	0.8
131.03401	2.2
133.26881	0.7
135.04410	3.5
137.09679	0.8
143.03426	1.7
143.26833	0.7
149.04459	2.3
149.05980	0.8
159.02899	1.4
161.04478	9.7
169.06503	3.6
179.05539	1.7
191.05528	3.1
211.17010	1.5
230.73936	0.8
241.90381	0.7
273.11343	3.2
283.09976	1.3
325.14551	2.0
343.15451	5.5
373.22308	20.2
374.22787	2.3
463.22061	1.1
490.08453	0.8
505.26608	100.0
506.20334	1.3
506.27020	14.2
509.65143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2569
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01255	8.8
59.42081	4.0
73.66300	3.9
77.64858	3.9
78.95772	27.5
84.01617	3.8
90.81519	3.7
107.44643	3.9
152.99492	43.1
229.67601	4.9
245.04324	13.9
277.21744	100.0
278.22137	7.8
280.23529	5.6
424.96768	4.3
505.25519	44.3
505.31647	5.5
506.25714	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	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54062	0.5
59.01261	1.6
64.60209	0.4
65.01537	0.4
66.66665	0.4
70.90270	0.5
70.90602	1.2
72.45489	0.4
78.95779	11.9
78.96204	0.7
84.01820	0.4
93.29787	0.4
96.96867	1.0
115.09867	0.5
117.79968	0.4
135.40486	0.5
152.99492	16.8
168.04260	0.4
171.00539	1.3
224.06760	0.5
227.03127	2.8
242.07945	0.6
245.04337	2.4
271.53159	0.5
275.20258	0.6
277.21722	100.0
278.22086	8.8
279.23282	16.9
280.23636	26.2
281.23944	1.2
505.25568	20.8
505.31387	1.3
506.25912	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	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72299	1.2
51.80328	1.3
55.01755	5.1
57.03314	3.4
58.00476	2.3
59.01252	100.0
69.03342	1.5
69.46652	11.8
71.01253	50.6
72.99178	7.0
73.02821	23.3
75.00748	10.0
78.91054	1.5
81.03281	1.8
83.01273	5.8
85.02827	24.3
87.00754	7.1
89.02316	40.0
89.46812	1.3
95.01250	8.0
97.02836	2.4
99.00755	17.5
101.02332	25.2
107.01286	3.2
108.02037	1.8
109.02834	4.0
111.00800	1.9
113.02330	43.0
114.02683	1.9
119.03385	3.2
121.02839	1.8
123.04420	1.6
125.02336	5.2
129.01828	3.4
131.03400	10.4
137.02296	1.8
139.07510	1.5
143.03415	4.4
149.04465	24.4
150.17607	1.4
151.00339	8.7
151.01346	1.5
151.03999	1.8
159.02914	1.8
161.02370	1.5
161.04468	19.3
163.00325	2.7
165.01657	1.4
165.55849	1.4
167.03395	3.5
178.99797	4.2
191.05495	7.7
195.13881	2.6
199.03958	2.3
215.03468	1.7
221.11742	2.3
227.03462	5.2
233.06625	6.0
238.13033	1.6
243.02922	11.0
244.03540	1.5
255.02974	30.6
256.03409	2.4
271.02487	62.6
272.02872	6.8
283.02271	2.1
293.08813	3.8
300.02737	89.2
301.03461	41.1
301.10660	1.6
302.03983	2.1
351.48328	1.4
373.22293	12.2
445.20627	1.6
463.08722	2.4
463.21790	15.7
488.12473	1.3
505.09677	41.2
505.26697	25.4
506.10364	5.3
506.27084	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.0
57.03325	2.3
58.00469	0.9
59.01253	99.3
59.66146	0.7
60.01588	0.8
65.23460	0.7
69.03343	1.7
69.45020	5.6
71.01256	49.1
72.99198	3.2
72.99538	0.6
73.02824	32.9
75.00762	1.6
81.03343	1.2
83.01267	6.0
85.02827	13.5
87.00758	2.3
89.02321	39.3
93.03329	1.9
95.01289	3.2
96.95898	1.3
97.02838	2.0
99.00761	100.0
99.63116	0.7
100.01066	1.5
100.07892	0.7
101.02329	21.8
102.02676	0.7
107.01238	0.9
108.02043	1.1
109.02842	3.6
111.00776	1.6
113.02338	22.5
119.03384	4.8
119.04929	1.4
121.02866	1.0
123.04419	2.2
124.48306	0.7
125.02345	8.0
127.03872	0.6
131.03386	10.9
133.02867	0.9
135.04417	0.7
136.22064	0.7
137.02371	3.3
143.03467	4.7
149.02365	2.3
149.04463	31.1
151.00266	1.6
151.03894	2.3
155.03447	3.4
161.02379	1.4
161.04485	9.3
163.00273	0.6
165.05528	0.7
174.02934	0.7
177.01828	1.5
179.03447	0.7
179.05455	1.5
181.04964	2.3
190.56485	0.7
191.05544	39.1
192.05856	1.3
203.05534	13.8
209.11795	1.4
227.03540	1.1
233.06598	4.8
255.02994	1.1
271.02420	2.3
289.07062	1.3
300.02594	3.2
301.03467	8.0
301.11111	1.2
331.17422	2.8
343.15347	2.1
361.16464	1.0
407.07660	1.3
445.20605	1.6
463.16095	1.0
463.21927	14.1
464.21729	1.1
505.09729	3.1
505.21750	11.2
506.23123	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.7
57.03333	1.9
58.00475	1.7
59.01254	100.0
60.01590	1.4
66.66607	0.4
69.03339	0.9
69.38384	0.8
69.38801	2.7
71.01257	44.1
72.01589	0.6
72.99187	1.8
73.02823	28.7
78.91783	0.6
81.03352	0.9
83.01257	4.3
85.02827	11.5
85.03353	0.5
87.00777	1.8
89.02322	37.2
90.02681	0.4
95.01269	3.1
96.95898	0.9
97.02816	2.0
99.00761	86.6
100.01071	2.0
101.02328	20.5
109.02901	0.6
111.00732	0.5
112.01575	0.4
113.02335	20.2
114.02692	0.6
117.26268	0.4
119.03396	5.0
125.02357	4.2
131.03401	11.5
143.03412	4.7
147.35901	0.4
149.04466	28.5
150.04779	0.6
151.03940	0.6
155.03421	3.9
159.02885	0.5
161.04469	11.0
176.01006	0.4
179.05530	0.9
191.05550	38.0
192.05893	1.2
203.05554	14.6
204.05827	0.7
204.38309	0.4
233.06622	4.3
259.57626	0.4
271.02444	0.6
293.08618	0.7
300.02579	1.0
331.17624	2.5
335.09824	0.5
373.18207	2.2
373.22787	2.2
445.21005	0.4
463.21848	9.8
464.21933	1.3
470.21747	0.5
505.22617	10.4
506.22159	2.0
515.31738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03334	2.0
59.01251	35.4
59.27169	0.8
68.99680	0.7
71.01254	16.3
71.59215	1.4
71.59615	1.0
72.99171	0.9
73.02824	4.7
83.01255	2.2
85.02827	7.2
87.00738	1.1
89.02322	7.5
93.03328	1.0
95.01271	2.0
99.00751	2.3
101.02318	14.2
113.02326	8.0
119.03391	2.3
130.62567	1.0
149.06047	1.2
161.04408	4.7
179.05473	1.5
191.05479	1.3
209.11777	100.0
210.12102	5.2
211.11279	1.0
235.08275	2.2
253.09244	10.2
254.53123	0.8
343.28424	2.5
445.22266	2.3
463.23621	2.8
505.26752	1.7
505.33868	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	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
69.52092	0.4
69.52405	3.1
75.18587	0.4
91.13144	0.3
93.07000	0.8
95.04900	1.1
111.08025	1.1
121.02847	100.0
122.03181	3.4
132.74524	0.4
135.08034	0.6
137.02449	0.4
137.05922	0.3
162.06703	0.4
179.07068	6.4
180.05768	0.6
181.06512	3.2
197.06042	2.8
207.04471	1.3
207.08047	0.3
223.03996	0.3
225.05554	2.5
257.09665	0.8
285.09274	0.5
295.06293	0.5
311.09412	0.4
313.07150	5.6
314.07416	0.6
352.56882	0.4
357.06097	0.9
372.01605	0.4
373.10757	0.9
383.07822	1.2
417.09799	11.3
418.10202	1.1
423.21732	5.9
433.09558	0.6
461.12390	0.8
461.33340	0.4
505.11475	7.1
505.35223	0.5
506.11880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1565
Annotation	Chironiside
Peak:m/z	Relative Intensity
51.31766	1.0
52.07044	1.1
59.01247	3.8
65.47549	1.0
69.67229	3.2
69.67654	4.1
69.83598	1.0
71.01247	5.2
73.02806	1.6
80.75082	1.0
81.03321	2.7
83.01228	1.4
85.02836	1.1
89.02348	1.1
95.04902	1.1
99.00777	4.4
101.02335	3.4
109.02814	3.7
113.02326	2.1
122.03622	2.1
123.04417	34.2
124.01582	1.6
124.04755	1.8
133.02904	1.2
137.02330	21.4
139.03915	1.9
141.53151	1.0
149.02388	1.1
150.03088	5.5
151.03917	100.0
152.04701	35.9
153.05020	2.2
167.07059	9.4
177.01859	1.7
178.02626	21.4
179.03232	1.8
188.92557	1.0
193.04994	37.5
194.05328	2.2
195.02943	16.7
196.03705	40.4
197.04124	2.5
211.06033	10.2
274.50366	1.2
358.09061	1.9
373.11130	1.2
472.61978	1.1
474.76254	1.2
487.14557	10.7
488.14978	1.5
490.13480	3.6
499.98557	1.4
501.82343	1.1
505.15680	70.5
506.15900	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40130	1.9
53.71557	1.6
55.01752	4.0
57.03309	2.4
58.47950	2.0
59.01252	100.0
60.48483	2.2
69.49023	16.2
71.01256	28.4
72.99166	2.7
73.02827	15.6
83.01254	6.3
85.02828	10.3
87.00733	4.0
88.03926	8.4
89.02318	11.0
93.03322	2.1
96.95931	2.4
98.02377	4.5
99.00740	12.0
101.02328	17.8
109.02834	4.3
113.02358	14.8
119.03387	3.3
119.04931	25.2
121.02839	5.3
132.02940	29.5
135.04422	13.7
137.02342	3.8
139.00482	2.3
148.05209	13.6
149.02513	2.4
149.05553	12.3
150.05711	7.3
151.06030	2.5
159.16074	2.0
161.04489	7.1
163.07565	15.2
164.07898	11.0
165.05463	2.0
165.08080	9.1
166.08293	2.8
179.03436	4.5
179.10728	2.8
187.82758	2.1
191.05562	3.2
194.05809	3.8
205.08659	5.4
209.08122	3.9
221.08195	3.8
232.38506	2.2
281.04764	2.7
299.09476	2.3
323.12769	2.4
341.10263	3.0
341.13956	25.5
342.14328	2.9
361.49692	2.1
371.15121	3.2
383.20795	2.1
459.21747	2.4
461.18411	5.9
503.18961	5.8
503.26007	10.8
510.39337	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	504.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	1.2
56.82864	1.1
59.01255	18.6
64.67161	1.0
71.01257	9.8
71.58521	1.6
72.99181	1.8
78.95783	2.7
81.88955	1.0
85.02816	3.0
87.00755	2.0
89.02325	13.7
93.03352	1.1
94.02883	2.0
96.95890	25.0
96.96832	6.4
98.02358	100.0
98.95453	2.2
99.00768	2.9
99.01894	3.9
99.02677	1.7
101.02325	6.5
101.78094	1.1
110.02371	4.8
113.02356	5.2
115.04115	1.1
119.03404	5.7
122.02371	1.8
125.62240	1.0
134.03619	2.6
135.03929	1.1
136.86325	1.0
137.02333	1.6
143.03403	1.5
149.15553	1.1
159.02916	1.6
161.04482	3.3
179.05577	5.7
189.48868	1.1
191.05502	2.6
193.05139	1.3
196.07289	2.2
209.52682	1.2
243.15945	1.5
504.15500	1.6
505.19232	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	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
51.74561	0.2
55.01770	0.4
57.03330	0.2
58.00453	0.3
59.01254	12.1
60.58294	0.2
63.02285	0.5
65.00194	1.3
68.07458	0.2
69.03335	0.3
69.33991	0.4
69.34344	2.5
71.01257	5.6
72.99196	0.5
73.02818	2.2
83.01250	1.4
85.02826	2.1
87.00759	0.5
89.02322	4.5
91.01735	0.4
93.03345	0.5
95.01278	0.6
96.95885	0.4
97.02827	0.7
99.00757	1.9
99.66912	0.2
101.02331	3.7
107.01255	2.3
108.02054	1.6
109.02840	1.8
111.00777	0.4
113.02335	4.1
119.03364	0.6
120.99540	0.4
121.02835	1.6
124.01521	0.3
125.02316	1.1
131.03448	1.4
133.34270	0.2
135.00769	0.8
135.04407	0.3
137.02321	0.3
143.03438	0.6
147.00746	0.3
148.01564	2.0
149.02457	0.3
149.04462	3.1
151.00275	10.0
151.03847	0.3
152.00851	0.4
159.04372	0.5
161.04486	2.0
163.00275	2.8
164.01030	1.0
165.01859	0.3
167.03409	0.8
168.03728	0.5
169.01328	0.8
169.03815	0.3
171.04362	0.3
178.99782	5.1
183.04439	0.5
187.03937	0.8
188.04680	0.3
190.99802	0.3
191.05603	0.9
192.00484	0.3
193.01427	0.3
199.03947	1.2
201.01848	0.5
201.05460	0.6
203.03397	0.4
205.03227	0.2
207.02940	0.2
211.03928	1.1
213.01920	0.3
214.02359	0.2
215.03455	0.7
216.04279	0.5
226.02710	1.9
227.03447	4.2
228.03976	0.5
229.01369	0.2
229.05064	1.0
233.06664	0.3
239.03526	0.4
243.02974	13.0
244.03403	1.2
245.04491	1.4
254.02196	2.1
255.02971	29.2
256.03394	2.4
257.04581	0.4
266.02371	0.2
271.02475	62.1
272.02933	5.9
273.04062	1.3
283.02435	1.0
299.01968	1.6
300.02740	100.0
301.03464	46.7
302.03915	3.0
329.84558	0.2
331.17786	0.4
343.04535	0.6
344.02863	0.3
373.22247	0.9
407.07199	0.3
463.08832	3.1
463.21777	2.2
464.08859	0.3
505.09851	57.0
505.26236	2.3
506.10196	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62476	2.9
59.00952	5.4
59.01251	99.1
63.01258	2.8
66.11179	2.8
71.01259	44.1
71.58575	4.9
72.99185	3.5
73.02827	11.9
73.37765	2.9
73.69080	3.9
74.80074	2.9
78.32334	3.3
83.01277	3.8
85.02826	12.7
87.00743	5.7
89.02333	20.0
91.05409	9.0
92.19752	2.9
93.03341	7.0
96.80447	3.5
99.00771	12.2
101.02332	27.4
105.06983	12.2
106.06507	4.5
107.04910	4.4
109.02851	9.7
110.48344	3.0
113.02351	15.9
119.03395	6.1
119.04881	18.8
121.02834	19.9
123.04408	12.5
135.04422	100.0
136.04750	5.0
144.85248	3.2
147.04408	14.3
149.06001	46.5
151.03915	9.1
161.04451	11.0
161.05876	6.6
164.61191	3.2
167.10635	3.5
175.07553	10.3
175.11234	7.7
179.03343	5.5
180.78148	3.1
187.07570	6.0
191.05557	5.5
193.08649	10.1
193.88307	3.0
201.09134	38.7
205.08678	34.5
219.10211	45.7
231.10214	4.0
240.63951	2.9
255.11386	3.3
270.51541	3.1
281.08325	6.0
299.09595	7.2
323.12750	7.5
341.13870	44.3
342.14194	4.0
365.88522	3.4
371.20853	13.4
406.17950	3.2
459.22290	4.3
503.18768	21.7
503.25244	30.2
503.32422	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	503.25
Annotation	Foliasalacioside C
Peak:m/z	Relative Intensity
55.01765	1.5
57.03323	1.9
59.01252	100.0
60.01587	1.2
63.93510	0.6
63.96124	0.7
71.01253	19.3
71.04885	0.6
71.58500	1.2
72.99194	0.8
73.02818	7.6
76.99566	0.6
80.96407	1.0
83.01255	3.1
83.04917	1.1
83.13068	0.6
85.02823	8.6
86.03191	0.7
87.00755	3.1
87.04369	1.2
88.50594	0.6
89.02310	6.1
91.05402	0.9
91.79259	0.6
93.03368	1.0
95.01293	0.9
96.95900	1.8
99.00743	4.1
99.04448	0.9
101.02322	16.0
104.62198	0.7
107.04895	0.6
109.02864	1.5
113.02350	9.1
119.03407	2.1
119.04958	2.1
121.02866	1.8
123.04422	1.0
125.02378	1.8
131.03458	0.8
135.04431	7.3
143.03416	1.1
147.04376	0.8
149.04485	0.8
149.05984	1.7
159.02936	1.0
161.02377	0.9
161.04440	4.4
163.07587	0.7
166.04999	8.4
167.05370	4.5
179.03432	0.8
179.10689	2.2
191.05571	2.0
193.05110	0.8
201.09181	0.9
205.08630	6.3
217.08820	0.8
219.10222	1.6
235.09773	2.6
249.09853	0.9
255.02951	1.3
341.13861	7.1
342.14252	1.6
371.21054	1.5
383.20859	2.2
401.21857	4.9
443.22815	3.5
461.24271	3.2
485.23767	4.5
503.19443	4.8
503.25095	87.0
504.18973	1.1
504.25458	11.9
504.31943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01254	16.1
61.44297	0.7
63.21450	0.9
66.36830	0.7
70.70830	2.5
71.01253	1.4
73.02837	1.9
80.02515	1.0
81.03297	1.9
83.04894	2.7
93.03328	6.3
101.02322	1.7
106.04126	12.7
107.04901	3.3
111.00748	3.1
119.04903	5.7
120.05240	1.7
121.06464	2.6
131.79756	0.9
147.08078	7.0
149.05994	100.0
149.09628	32.1
150.06342	4.3
150.09967	1.5
161.04620	1.1
172.40575	0.9
175.11209	35.1
176.11510	1.7
212.08411	1.1
219.10237	1.2
220.10593	1.4
221.10760	1.0
281.15460	10.2
282.15918	1.4
292.46649	0.9
299.16547	27.7
300.16843	2.8
323.94748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Foliasalacioside C
Peak:m/z	Relative Intensity
53.66531	0.6
55.01775	1.1
57.03337	1.7
58.00462	0.9
58.37990	0.4
58.65215	0.4
59.01252	100.0
60.01591	0.8
69.03320	0.8
69.92273	2.6
71.01252	21.5
72.99191	1.4
73.02819	11.3
78.98477	1.1
83.01270	4.3
83.04899	0.5
85.02825	8.5
85.76418	0.4
87.00760	2.3
88.03919	1.2
89.02325	9.8
90.98548	0.4
93.03342	0.8
95.01250	2.4
96.95850	0.6
97.02831	0.7
97.06526	0.6
99.00763	5.0
99.04407	0.8
101.02324	17.0
110.96194	0.4
113.02330	9.9
115.00290	0.5
119.03398	3.5
119.04932	1.0
125.02307	1.1
131.03407	1.0
132.02943	4.4
135.04395	1.0
137.24329	0.5
143.03423	1.5
149.02361	0.5
149.04474	1.1
159.02956	0.7
161.04488	6.0
161.05830	0.8
166.05051	1.3
168.04482	0.7
179.05533	0.6
191.05527	1.4
205.08643	0.9
272.35706	0.5
299.09421	0.5
341.13800	2.5
353.32224	0.5
363.40112	0.4
371.15570	1.0
371.20673	5.8
383.20709	1.4
388.58618	0.5
401.21823	2.7
443.22751	2.5
461.14374	0.5
461.24167	2.5
462.24512	0.9
485.23822	4.9
486.24234	1.1
503.25015	97.2
504.25415	12.8
504.32562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03331	1.8
57.47487	0.6
58.00468	2.2
59.01250	100.0
60.01583	1.1
62.12462	0.6
69.03331	2.2
71.01253	53.0
71.38766	1.6
72.99193	2.7
73.02817	55.5
75.00756	1.1
81.03329	1.6
83.01256	16.2
83.66798	0.6
84.68687	0.6
85.02821	12.2
87.00771	3.0
89.02315	18.6
93.03371	1.6
95.01262	3.2
97.02847	1.4
99.00748	3.4
101.02322	50.2
109.02819	0.8
111.00836	0.8
113.02332	27.1
118.73566	0.6
119.03409	7.6
119.04903	12.3
120.05255	1.0
125.02363	2.4
131.03392	4.2
135.04413	24.9
136.04765	1.5
143.03427	4.7
149.04468	4.1
149.09666	2.2
155.03441	1.6
161.04468	8.6
167.10707	0.9
179.05576	1.8
191.05589	2.4
197.83778	0.7
203.05527	0.8
211.67081	0.6
221.07066	0.8
281.15460	8.2
282.15799	1.0
297.18704	1.0
299.16592	1.8
323.16766	0.9
334.07843	0.7
341.13867	7.9
359.27664	0.7
443.20807	8.9
461.21832	18.1
461.28049	1.1
462.22455	1.6
478.18973	0.8
495.30978	0.7
503.23132	6.9
503.33096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2302
Annotation	Xanthanthusin G
Peak:m/z	Relative Intensity
55.01753	1.9
57.03326	1.9
58.00468	1.2
59.01252	100.0
60.01590	2.2
61.01670	0.9
69.03338	1.4
69.34526	1.0
69.34930	4.5
71.01253	49.2
72.99176	2.9
73.02820	20.1
81.03338	0.7
83.01253	8.3
83.04944	0.9
85.02824	16.5
85.99984	0.7
87.00750	3.7
89.02318	17.4
93.03355	2.1
95.01260	5.4
95.04914	0.7
97.02851	1.5
99.00767	4.4
101.02322	29.1
101.14024	0.6
109.02837	4.3
111.00790	0.7
112.01608	0.6
113.02332	28.9
119.03430	6.2
119.04913	24.7
120.05322	0.7
123.04376	0.5
124.01602	0.7
125.02361	1.7
131.03426	1.3
135.04414	4.7
143.03392	3.3
149.04492	1.9
149.09608	3.4
161.04471	6.8
161.09633	0.8
163.07640	1.1
164.04712	1.0
175.11264	1.0
177.08038	0.5
179.05574	0.8
191.05618	2.4
193.08632	0.7
205.08655	7.4
206.09122	0.8
209.78838	0.6
215.10609	0.9
217.08716	2.2
219.10292	0.9
229.12283	1.8
231.10201	3.9
235.09697	7.1
269.15384	0.9
279.14096	0.8
281.15500	11.9
299.16513	6.7
305.13913	0.7
322.38461	0.6
323.12976	1.4
341.13947	16.7
341.17819	1.2
342.14536	1.5
397.15433	0.7
443.20718	36.9
444.20966	4.7
461.21808	65.3
462.22009	8.3
462.27847	0.7
503.23056	12.1
503.32721	3.5
504.23154	2.3
515.22034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62013	0.6
57.03316	0.9
59.01250	22.3
59.32914	0.7
60.01579	0.8
64.77733	0.7
71.01259	6.7
72.99190	0.8
73.02828	2.4
80.53850	0.6
82.42014	0.6
83.01259	1.1
85.02820	3.7
89.02306	3.7
93.03364	5.3
99.00772	2.0
101.02337	4.5
107.04926	1.3
109.02826	1.8
113.02341	3.8
119.03374	2.2
119.04920	15.7
119.08594	0.7
121.02844	2.2
122.03644	0.8
123.04404	1.7
133.02907	1.0
135.04414	37.5
135.99730	0.7
136.04797	1.6
145.06398	0.8
147.04451	1.0
149.05965	1.9
150.03087	1.1
151.03896	1.9
157.06497	1.0
161.02357	1.0
161.04507	1.1
161.06012	0.8
161.09662	2.6
163.03891	5.2
163.07553	6.5
164.04709	7.9
175.03922	5.2
175.07576	2.2
187.07568	1.6
189.05536	2.3
191.05473	1.2
193.08702	1.9
196.51532	0.8
201.09105	1.3
203.07108	0.9
205.08649	100.0
206.08994	5.1
207.06563	1.4
217.08650	14.2
218.08961	1.8
219.10190	2.9
223.13336	2.8
235.09718	64.5
236.10048	4.3
247.09674	1.5
272.59103	0.8
311.12845	2.6
323.12848	1.9
341.13925	86.8
342.10312	1.2
342.14221	9.1
485.17761	0.9
503.19180	51.5
503.25192	2.3
503.31735	1.8
504.19739	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
59.01252	23.1
70.33189	2.6
70.33577	1.7
71.01250	10.5
72.99197	1.4
73.02800	2.7
80.10903	0.8
85.02811	3.8
89.02338	5.2
89.44964	0.8
91.05423	1.0
93.03361	5.5
95.01268	1.1
98.20501	1.5
99.00732	3.1
101.02325	5.3
107.04871	1.0
108.02084	1.4
109.02811	2.2
113.02327	4.4
119.03374	2.3
119.04897	3.1
119.08546	1.1
121.02827	2.4
129.77209	0.9
135.04402	9.8
136.05164	1.2
137.02350	1.2
150.03070	1.4
151.03879	2.6
157.06409	1.4
161.02411	1.6
161.04445	2.1
161.09612	2.5
163.03888	6.6
163.07527	8.4
164.04726	10.1
165.28874	1.0
175.03931	5.9
175.07559	1.3
187.07622	1.5
189.05481	2.8
191.05489	2.1
193.08595	1.8
196.67513	1.0
201.05418	1.3
205.08652	99.0
206.08937	5.4
217.08664	20.7
218.09007	1.5
219.10277	1.0
235.09721	84.4
236.07988	1.1
236.09993	5.6
247.09634	1.9
311.12903	2.7
318.32922	0.9
323.12762	1.3
341.13931	100.0
342.14398	10.1
371.20465	2.0
399.37390	0.9
503.19119	69.7
503.25299	7.1
504.19531	8.2
504.25711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	74.9
66.19541	1.9
70.57300	6.9
71.01254	29.2
72.99197	3.0
73.02816	9.1
79.45940	2.2
82.97785	2.1
83.01263	2.7
85.02810	12.5
89.02321	16.7
91.05423	4.9
93.03349	7.2
95.01261	3.5
95.04926	2.6
97.02886	2.0
99.00758	7.3
101.02324	19.3
104.77547	2.3
106.69006	2.4
108.02066	3.7
109.02845	8.6
113.02320	13.1
119.03367	5.7
119.04900	10.5
120.66404	1.9
121.02838	9.4
125.02299	2.3
135.04422	62.6
151.03889	8.6
161.04439	6.9
161.05984	5.4
161.09669	4.0
163.03928	6.9
163.07524	7.0
164.04706	8.0
166.39151	2.2
175.03918	9.2
187.07510	2.7
187.63725	1.8
189.05522	2.4
191.05495	2.9
193.08655	1.9
201.05556	2.5
201.09247	3.4
205.08638	100.0
206.08989	5.4
217.08688	19.5
219.10291	9.5
221.11699	2.1
235.09726	81.0
236.10052	3.5
247.09668	2.3
254.97943	2.8
299.16638	2.1
341.13934	97.4
342.14328	8.4
371.20673	5.3
503.19107	64.8
503.25229	28.7
503.31827	3.4
504.19525	10.3
504.26004	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	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00293	0.3
58.00478	0.3
59.01252	8.7
65.00219	0.5
71.01254	5.8
72.99181	0.8
73.02822	1.6
74.60262	0.3
75.00760	0.5
78.58945	0.3
81.03345	0.4
83.01271	0.8
85.02827	3.6
87.00762	1.3
89.02323	3.2
91.05421	0.7
93.03344	1.0
95.01289	0.4
96.95898	0.9
97.02831	0.6
97.15292	0.2
99.00748	0.7
101.02338	3.4
101.02937	0.4
108.02075	0.5
109.02841	0.5
113.02344	2.9
115.00298	0.7
115.91943	0.3
117.03338	0.6
119.01264	0.6
119.03391	1.6
119.04929	1.1
121.02847	7.7
123.98288	0.3
125.02299	0.6
132.02063	0.9
133.02869	0.3
134.03630	0.6
135.04416	1.1
135.06560	1.0
137.02321	0.4
147.00772	0.5
147.04407	4.4
149.02345	57.0
150.02675	2.6
152.00999	0.4
160.03958	0.4
161.04433	1.0
163.03908	1.3
164.04701	54.8
165.05032	2.2
167.03386	0.3
169.04930	0.4
170.22664	0.3
171.99330	0.3
172.32040	0.3
175.00276	5.1
175.02414	0.9
179.03412	0.5
179.05699	0.3
179.07053	7.3
190.02667	10.8
191.05589	0.3
193.01314	0.6
205.05011	8.1
206.05301	0.7
208.03760	0.9
209.04494	0.5
223.06071	100.0
224.06427	6.2
227.16490	0.5
240.44809	0.3
286.69437	0.3
297.11935	0.7
339.13397	0.4
341.06607	0.4
503.17731	5.5
503.25049	1.6
504.17563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01251	13.5
62.80714	0.8
71.01257	8.1
71.57552	1.2
72.99169	1.5
73.02829	2.2
78.95779	14.9
79.95619	3.6
83.01255	1.4
85.02811	2.5
87.00761	5.5
89.02320	11.9
89.03853	1.0
95.01296	1.0
96.95891	100.0
96.96814	24.0
98.02351	19.5
98.02961	1.4
99.00748	2.7
101.02322	6.8
104.43125	0.8
110.02399	1.2
110.83683	0.9
113.02340	4.2
117.03371	2.0
119.03387	4.2
129.01863	2.3
131.03320	1.2
134.03627	17.4
137.02330	1.5
143.03360	1.6
147.02933	1.1
149.05983	2.8
150.03122	1.4
161.02354	1.5
161.04510	1.5
167.03369	0.9
176.04781	1.3
178.02635	3.5
179.03421	2.5
179.05563	2.0
191.05540	2.2
193.05009	16.4
194.05681	1.7
209.04466	3.2
209.08102	2.8
212.81720	0.8
309.08328	10.7
327.09177	0.9
503.17844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11190	0.4
55.01738	0.5
57.03315	0.8
57.63806	0.5
58.00460	0.7
59.01252	12.7
68.99696	0.5
69.03330	15.8
71.00882	0.4
71.01252	9.2
71.59005	1.0
72.99179	1.1
73.02823	4.9
79.01745	3.4
81.03329	1.6
81.24932	0.5
83.01271	1.3
83.95128	0.5
85.02817	6.0
87.00755	0.9
89.02321	3.4
95.01263	3.3
96.95883	0.8
97.02827	9.0
99.00763	8.0
101.02331	4.1
107.01272	12.2
108.02056	13.5
109.02843	3.9
113.02335	8.1
121.02861	1.0
123.00773	3.0
123.04475	0.7
125.02336	28.0
126.02689	0.9
128.03435	0.5
133.38551	0.6
135.00781	70.2
136.01086	3.1
137.02290	0.8
139.78949	0.5
143.03435	0.8
149.04462	1.0
151.00259	4.1
151.03978	1.2
152.01060	24.2
153.01787	1.6
161.04468	2.7
163.03871	1.2
166.02634	14.7
167.03413	100.0
168.03789	4.7
177.01869	1.1
179.03429	6.3
191.05540	1.6
194.05800	7.2
209.04520	1.4
209.08131	10.8
237.11185	0.6
245.42206	0.5
286.56696	0.5
311.07645	0.9
329.08746	3.5
337.91028	0.5
354.58063	0.6
357.08142	1.5
371.05066	0.7
371.09787	13.7
372.09988	1.7
429.10443	5.3
430.10635	0.6
443.11829	1.1
461.13028	18.6
462.13287	1.8
471.11502	13.5
472.11484	1.4
503.13968	17.7
503.20972	1.0
504.14481	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	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03938	2.9
57.03325	6.9
59.01256	72.2
65.21078	2.8
69.03336	13.9
71.01259	38.8
72.99207	5.0
73.02830	11.2
75.00755	6.8
83.01259	5.3
85.02824	26.1
87.00768	14.2
89.02310	16.4
91.01764	4.1
95.01286	8.1
96.95908	5.5
97.02831	6.8
99.00771	21.9
101.02344	17.4
107.01272	5.9
108.02062	3.9
109.02837	5.3
113.02341	31.7
119.04914	3.8
123.04429	29.4
125.02342	22.5
129.01872	6.0
131.03439	3.7
133.02850	3.4
135.00780	36.9
135.04396	3.6
137.02397	4.7
143.03400	5.2
149.02373	7.8
149.04469	8.6
151.00278	6.0
151.03914	4.7
152.01097	6.6
152.04698	3.8
161.02344	6.1
161.04469	4.7
162.69475	2.9
164.04764	6.0
166.02649	36.3
167.03419	100.0
168.03789	5.5
177.01811	3.9
190.02669	2.8
191.03442	5.5
191.05551	6.1
193.05045	2.9
209.04605	3.8
214.41280	3.1
223.06094	5.6
250.99887	2.9
267.08865	3.7
285.09763	7.4
302.92249	2.9
305.81769	3.0
323.07990	3.8
344.61795	3.3
350.33127	2.8
359.12186	3.1
391.02881	3.1
417.13718	4.2
443.11771	24.7
444.12253	3.9
459.14984	8.8
461.12955	23.2
503.13699	21.3
503.24884	4.7
504.14050	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	5.6
59.01255	100.0
71.01257	63.8
71.58569	8.5
72.99179	7.4
73.02816	25.5
74.02354	13.7
74.89477	5.2
75.00784	6.1
84.29273	5.4
85.02833	19.3
87.00769	5.4
89.02316	64.1
93.03316	5.6
96.95889	12.0
98.02372	10.2
98.95487	6.5
99.00760	70.1
101.02335	23.2
109.02869	5.2
110.85200	4.6
113.02336	15.1
116.03428	14.4
116.92767	12.2
121.02836	5.1
123.00844	6.0
123.04411	9.8
125.02372	8.1
131.03416	16.7
134.03603	8.6
149.02353	19.0
149.04417	55.5
150.03061	7.9
151.03983	9.1
164.04732	16.8
165.05440	15.7
169.81308	5.2
175.00316	5.1
190.02649	13.8
191.05551	44.9
193.05019	9.8
203.05508	18.2
205.04947	10.3
223.06125	32.2
227.75661	4.8
233.06715	7.7
252.85565	5.0
335.10138	5.2
355.19257	5.3
412.47870	5.2
503.17551	12.8
504.15375	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53382	0.4
57.03330	0.4
59.01252	7.3
69.03326	0.4
69.79657	2.6
71.01257	8.1
72.00780	0.6
73.02824	2.2
83.01257	1.1
83.31780	0.4
85.02821	1.9
87.00768	0.5
88.03916	30.7
89.02318	2.9
95.01266	0.5
95.84662	0.4
96.95892	1.0
97.02821	1.1
98.20495	0.8
99.00753	2.9
101.02317	2.6
108.02076	0.5
109.02856	2.6
113.02343	1.8
114.01861	2.9
114.02600	0.7
115.00256	10.0
119.04887	0.5
121.02842	0.9
123.04397	2.5
125.02320	0.7
131.03429	0.5
132.02924	100.0
133.03299	1.1
135.04433	1.2
137.02383	0.9
146.03691	0.4
149.02411	1.0
149.04477	1.7
149.05994	0.4
150.04836	0.6
151.03911	1.2
161.02376	0.7
161.04488	1.0
161.05939	0.8
166.04971	0.6
168.10274	1.0
191.05574	1.4
192.07822	0.6
193.08643	0.9
203.07091	0.8
205.05016	1.3
205.08577	0.4
212.09213	1.2
217.08676	1.0
286.36816	0.4
341.14017	0.5
369.13412	5.7
370.13980	0.7
371.20779	1.1
503.25684	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	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16260	2.4
57.03321	3.3
58.00460	1.8
59.01252	37.1
70.94457	4.9
71.01257	27.0
73.02831	7.6
76.95847	2.2
78.95772	8.1
79.95612	2.8
79.96725	2.0
83.01266	2.6
85.02827	6.8
87.00758	22.3
89.02320	32.8
89.03832	2.6
95.01245	1.9
96.95893	78.6
96.96822	16.5
98.02351	12.1
99.00764	5.0
101.02331	18.9
109.02841	2.2
113.02341	12.7
117.03353	6.2
119.03387	19.0
121.02814	2.9
123.04402	3.2
125.02325	2.7
129.01830	9.6
131.03334	3.5
134.03638	79.3
135.03966	2.3
137.02333	4.8
143.03380	3.4
147.02898	5.1
149.04393	2.3
149.05998	10.1
151.03864	2.0
153.67395	1.8
157.40501	1.8
161.02321	5.8
161.04462	6.0
165.05341	2.0
176.04681	3.5
178.02608	12.4
179.03415	6.1
179.05559	11.5
191.03580	2.3
193.04996	100.0
194.05565	9.2
209.04453	2.2
209.08167	12.9
309.08279	65.1
310.08804	2.6
327.09354	7.7
503.14676	8.1
504.15076	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	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15916	0.5
59.01252	100.0
60.01595	1.0
70.91452	2.0
71.01254	6.6
73.02799	3.6
83.01272	1.5
85.02811	3.2
89.02303	4.4
99.68035	0.6
101.02319	7.2
109.12832	0.6
113.02342	3.2
119.03410	2.3
126.38271	0.6
131.03424	0.6
161.04492	2.7
179.05640	2.4
183.38016	0.7
192.76581	0.6
399.23935	4.5
416.46957	0.7
445.77301	0.8
482.09415	0.7
511.34552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01251	100.0
60.01600	0.8
67.78638	0.3
69.41269	0.3
70.35562	1.0
70.35970	0.6
71.01253	7.8
72.99190	0.7
73.02436	0.3
73.02826	1.4
74.73939	0.3
83.01280	0.5
85.02824	2.4
87.00737	0.6
89.02319	4.5
93.03329	0.9
95.01286	0.7
97.02843	0.4
98.20013	0.4
99.00768	0.8
101.02333	4.2
113.02335	3.0
117.24527	0.4
119.03443	2.2
119.04890	2.0
121.02834	7.8
121.03666	0.5
125.02310	0.6
128.91527	0.4
130.08603	0.4
135.04474	0.5
143.03430	0.9
144.15247	0.3
151.01369	0.3
159.02896	0.5
161.04480	1.4
165.09113	2.0
173.09660	1.2
191.05565	0.6
217.08623	0.4
219.10248	1.5
321.11334	0.8
339.12436	0.9
339.16119	0.5
399.23840	0.6
413.28815	0.5
457.28049	0.5
501.19220	0.6
501.31107	2.5
502.24741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07201	0.3
59.01252	100.0
60.01599	1.2
70.34523	1.3
71.01258	3.3
73.02824	1.5
75.82721	0.4
83.01257	0.6
85.02834	1.6
89.02324	2.7
99.00754	1.9
101.02335	2.5
109.02851	0.9
113.02338	1.0
119.03493	0.6
119.04921	6.9
123.04433	0.4
125.02359	0.5
126.52264	0.3
135.04443	0.8
149.02322	0.3
149.04565	0.5
157.06541	0.9
161.04495	1.0
168.86353	0.4
191.05548	1.2
201.05605	1.2
210.37509	0.3
219.06583	0.6
289.07202	1.7
321.11328	5.4
339.12244	0.7
399.24042	0.6
412.58194	0.3
413.01395	0.4
416.94739	0.4
501.16995	5.2
501.29904	0.6
502.18073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41389	2.0
54.50691	2.2
57.03310	3.1
57.29599	1.7
59.01255	100.0
60.01582	2.5
69.69342	4.6
69.69750	8.6
71.01254	25.9
72.99189	2.9
73.02827	9.1
78.95789	2.7
81.12219	1.7
83.01266	2.6
85.02830	10.2
86.67336	1.9
87.00764	2.2
89.02305	10.9
89.76659	2.2
90.37448	1.7
99.00763	5.7
99.92487	3.5
101.02340	16.5
106.04133	4.5
109.02819	4.4
111.00753	7.3
113.02314	12.4
115.91962	7.4
116.92756	28.9
117.92788	3.3
119.03405	6.0
119.04930	5.7
121.02847	19.6
123.04436	2.3
125.02354	2.3
133.02881	2.9
135.04399	4.3
137.02338	2.6
141.09186	2.3
149.02443	2.4
161.04456	3.8
161.05930	2.1
175.11139	3.2
179.05539	2.6
191.05563	3.1
207.08075	6.4
207.13817	3.2
217.08664	3.4
235.16986	2.1
245.08177	2.5
245.85838	2.1
253.09259	2.0
253.18069	10.3
289.07098	5.0
297.14996	8.4
339.12109	8.1
339.25534	2.8
357.25674	2.4
369.19019	3.7
397.22208	5.3
415.23181	14.2
457.18661	3.9
457.24442	30.6
458.24765	3.7
501.22696	11.4
501.30942	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	501.1771
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
54.43956	1.3
55.98706	1.3
59.01254	27.7
71.01256	4.5
71.59103	1.4
71.59533	1.8
84.53986	1.3
85.02879	2.7
91.05427	14.8
93.03355	3.8
99.00775	1.4
101.02331	2.8
108.02077	4.0
109.02847	4.6
109.06473	2.4
111.00784	2.5
113.02328	2.1
114.86998	1.4
121.02839	8.4
122.03630	6.2
133.02861	8.3
135.04422	76.7
136.04770	2.9
143.69209	1.4
157.06500	2.7
159.08051	5.2
161.02356	100.0
162.02742	3.7
173.00951	1.6
177.09132	58.5
203.07068	7.7
219.10292	4.2
221.08139	18.2
228.82054	1.4
229.08607	2.5
250.23151	1.4
289.07339	2.1
321.11304	12.9
322.11615	2.3
339.12357	93.1
340.12668	7.6
375.66650	1.7
409.62589	1.7
501.17633	15.9
501.32358	5.6
502.18433	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.3
56.99844	1.3
57.03324	4.3
58.00470	1.7
59.01255	94.9
67.01768	1.5
67.46589	1.1
68.99694	1.2
69.03341	1.3
69.27074	12.5
71.00891	2.4
71.01257	30.5
72.99198	2.2
73.02829	10.7
81.03338	3.4
83.01270	9.1
85.02827	13.9
87.00756	2.3
89.02325	18.1
91.05377	1.6
92.49922	1.3
93.03327	3.8
95.01267	4.9
95.04910	3.3
97.02845	9.9
99.00756	4.0
99.04424	1.2
101.02330	20.0
101.02987	1.5
102.40965	1.2
108.02059	1.4
109.02849	28.2
109.06489	2.0
111.00778	6.0
113.02342	16.2
113.96567	1.3
119.03541	6.6
119.04918	52.6
120.05254	2.6
121.02822	4.5
123.04430	16.1
125.02332	20.9
133.02831	1.9
135.04420	16.0
136.01630	1.4
137.02347	17.5
138.02603	1.1
139.03915	6.0
141.09073	2.1
141.41769	1.2
143.03471	1.8
145.02849	2.8
145.06500	3.4
146.03601	3.3
149.02374	7.3
151.03952	10.4
155.34250	1.2
157.06522	2.3
159.03041	1.2
159.04433	3.9
160.05244	2.0
161.02417	9.1
161.04469	9.5
161.05989	10.6
162.03212	1.9
163.03915	3.1
163.11366	1.4
164.01050	4.0
165.01816	6.1
165.12749	4.6
167.03394	2.2
175.03915	2.4
175.07568	2.6
177.05615	1.3
177.09190	4.1
179.03429	8.6
179.05551	2.9
185.06093	1.5
187.03960	7.9
188.04712	5.3
191.05528	3.8
194.02126	1.4
199.07602	1.6
201.05357	2.3
202.06247	2.2
203.07072	15.5
204.07620	1.5
205.05008	16.8
212.04695	1.5
217.08733	1.9
219.06596	9.7
219.10052	1.5
221.08153	4.3
227.07007	3.4
230.05814	1.5
231.03110	1.5
237.07547	7.8
245.08177	23.8
246.08435	1.7
247.06062	4.6
249.14975	1.4
271.05969	1.4
289.07187	100.0
290.07520	8.6
305.13956	2.1
321.11429	3.4
327.18271	1.3
339.12378	54.2
339.25330	4.8
340.12665	5.6
349.16550	3.3
395.18680	1.6
457.18384	12.2
458.19193	1.5
459.22366	7.1
483.20337	2.1
501.21460	51.8
501.30493	9.0
502.21994	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	501.1769
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
50.56131	0.2
55.63789	0.2
57.03328	0.4
57.40264	0.2
59.01252	10.4
68.26727	0.3
70.62949	0.2
71.01261	0.9
73.02820	0.4
76.00147	0.2
76.20965	0.3
87.00764	0.5
89.02319	0.8
91.05437	0.4
93.03334	0.8
98.20631	0.6
99.00758	0.4
101.02320	0.9
101.68140	0.3
102.61324	0.3
103.24253	0.3
106.04138	1.7
107.01265	0.3
107.04929	0.4
108.02084	0.3
108.64678	0.3
111.00771	3.8
113.02337	0.4
117.03352	0.8
117.06972	0.3
119.04919	90.4
120.05260	3.1
121.02865	0.7
122.03654	0.3
125.02388	0.3
127.98920	0.3
130.04149	3.9
133.02792	0.3
136.01541	0.5
138.03166	0.4
143.04933	0.4
145.02879	0.8
145.06490	4.4
147.08015	1.3
148.01588	0.3
149.02324	0.6
150.03114	0.3
157.06493	1.9
159.04391	0.4
160.05145	0.5
161.02342	1.4
161.04364	0.3
163.07541	0.7
171.79260	0.3
173.00945	0.3
173.06010	0.8
174.03165	0.3
175.03944	0.4
175.07562	1.5
189.05522	1.9
191.07085	1.4
201.05508	1.5
207.06552	1.5
219.06577	28.2
220.06921	1.8
237.07654	12.7
238.08092	0.5
254.99689	0.3
266.26819	0.3
267.06592	0.3
267.09842	0.3
267.18262	0.3
279.06436	0.4
309.11172	1.3
321.11267	1.1
339.12363	100.0
340.12686	9.5
381.13315	0.8
434.96353	0.3
501.16959	1.3
501.31033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61069	1.7
59.01251	10.3
66.33556	1.8
71.01261	14.2
71.34555	3.6
72.99184	2.2
73.02811	4.3
83.01286	2.4
85.02828	6.4
87.00751	2.5
87.05460	1.7
89.02335	2.7
96.95911	13.5
101.02320	7.7
106.18383	2.0
109.02799	1.8
113.02348	4.9
121.78883	1.9
122.05930	2.1
131.03354	3.4
150.03230	2.0
161.04433	4.8
161.07114	2.0
176.05806	8.5
177.06599	25.5
178.06953	1.8
191.05522	3.5
191.08182	24.1
194.76349	1.7
203.08232	2.9
205.06133	49.1
206.06328	2.2
219.07716	37.8
221.06822	2.5
285.12720	2.1
321.11029	2.5
339.11996	18.1
373.16681	1.9
402.81381	2.1
462.80923	1.9
501.17322	100.0
502.17700	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	501.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10955	0.4
57.03331	1.2
59.01251	23.4
70.33995	1.3
70.34393	1.3
71.01249	8.2
72.99187	0.5
73.02813	2.1
83.01257	0.9
85.02829	4.4
87.00794	0.9
89.02310	5.1
93.03326	1.5
95.01261	0.9
97.02846	1.3
99.00757	1.4
101.02303	4.0
106.04109	1.2
108.02053	0.6
109.02812	2.5
113.02354	3.7
117.03340	1.5
119.03436	2.2
119.04914	91.0
120.05225	3.2
121.02858	1.0
123.04409	1.5
125.02335	2.0
130.04134	3.4
135.04381	1.4
137.02289	1.4
137.20880	0.6
143.03394	0.7
145.02873	0.9
145.06488	3.3
147.04338	0.6
147.08026	1.6
149.02299	1.6
151.03918	1.1
157.06467	1.5
160.05153	0.7
161.02379	1.5
161.04471	1.9
161.05844	1.1
163.07507	0.8
171.10223	0.6
173.05962	1.0
175.03906	1.1
175.07524	1.3
189.05440	1.5
191.05513	1.6
191.07074	1.4
201.05438	1.5
201.11340	0.6
203.07022	1.3
205.04979	1.8
207.06554	1.0
217.08577	0.6
219.06566	19.4
220.06851	0.8
237.05261	1.0
237.07648	18.4
238.07982	1.2
241.47653	0.6
245.08147	1.7
279.06534	0.6
289.07217	7.8
290.07452	0.6
309.11240	1.5
321.11346	1.2
339.12354	100.0
340.12680	8.6
395.20047	0.6
395.56403	0.5
457.18881	0.9
457.80569	0.6
501.21094	3.9
501.30804	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	501.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10427	4.7
59.01254	100.0
63.53740	4.9
63.99870	4.7
69.35526	43.4
71.01248	39.9
73.02821	27.4
83.01270	7.5
85.02836	27.8
87.00759	4.4
88.03898	8.4
89.02328	32.3
93.24078	4.7
95.01254	5.8
96.95879	8.1
98.91459	4.6
99.00774	48.0
101.02314	18.7
113.02338	18.0
119.03390	5.1
125.02325	7.5
131.03412	8.8
131.15376	4.7
132.02937	42.2
133.02803	6.4
137.02303	6.3
143.03371	5.8
149.04498	25.1
157.31213	4.8
161.02361	6.1
161.04466	15.3
165.05428	7.1
177.01851	59.5
191.05495	25.8
203.05605	9.8
233.04462	9.5
306.40079	4.8
318.93848	4.7
339.07394	16.7
369.13388	6.9
457.17245	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	501.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55947	0.6
55.01752	1.4
57.03325	10.8
59.01253	15.3
69.24438	0.7
69.24746	8.3
71.01256	9.7
72.99181	2.0
73.02821	2.7
75.00761	4.8
83.01260	2.8
84.02038	2.9
85.02825	100.0
86.03184	1.3
86.64703	0.7
87.00733	1.5
89.02311	4.2
93.03326	0.9
96.95887	2.8
97.06462	0.7
99.00763	2.4
101.02339	2.6
103.00236	1.3
106.59353	0.6
109.02847	1.2
111.00751	2.8
113.02341	2.6
117.03307	1.1
119.03474	1.2
119.04925	14.1
119.84364	0.6
121.02885	1.4
123.04430	0.8
124.01559	0.6
125.02377	1.2
129.01852	12.8
133.01317	1.5
135.04416	1.4
137.02367	0.7
145.02861	6.3
147.02911	21.0
149.02361	1.2
149.04396	1.0
151.03854	1.1
161.04485	1.2
163.03931	13.1
164.04723	0.8
165.05460	1.7
165.09140	2.7
173.00864	1.4
173.04552	1.1
179.05505	1.0
191.01910	41.2
191.05576	3.0
209.02977	27.2
223.05991	1.8
231.06587	0.9
293.06491	1.2
321.11154	0.8
337.05673	2.0
355.06644	11.1
369.13202	1.2
449.93668	0.8
459.18552	1.2
501.18085	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46996	1.1
53.77396	1.0
55.01762	2.7
57.03321	12.4
59.00993	1.3
59.01255	19.6
71.01265	12.1
71.57807	1.6
71.58174	1.6
72.99179	3.4
73.02802	3.6
75.00752	1.7
76.57627	1.0
83.01257	3.7
83.04876	1.4
84.02026	2.8
85.02825	100.0
86.03162	2.0
87.00747	4.2
89.02309	3.6
93.03368	1.3
96.95873	4.0
99.00741	3.7
101.02324	6.1
103.00260	1.4
111.00764	2.7
113.02319	5.1
117.03293	1.5
119.03424	1.3
119.04914	13.4
121.02841	3.7
121.06425	1.2
123.04390	1.9
125.02338	1.9
127.95036	1.0
129.01839	11.2
133.01244	1.6
137.02272	1.5
145.02838	7.5
147.02895	22.2
149.02328	1.5
149.04424	1.1
151.03937	1.4
161.04453	1.4
163.03937	14.4
165.05479	12.3
165.09106	5.1
168.64359	1.0
169.95140	1.1
174.10617	1.0
179.83839	1.2
185.18098	1.0
191.01909	45.9
191.05585	3.2
193.17220	1.1
209.02974	37.5
210.92230	1.1
211.05962	1.3
273.46332	1.0
293.06900	1.5
297.96036	1.3
306.36694	1.1
327.14673	1.9
330.53522	1.1
337.05688	2.2
338.14511	1.1
355.06674	13.0
441.17856	5.9
459.18680	4.4
501.15585	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	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
59.28232	0.8
60.01592	0.8
71.01248	4.0
71.07086	1.5
85.02832	1.7
89.02338	2.2
101.02331	3.1
113.02343	4.4
119.62634	0.8
127.94920	0.7
131.22807	0.7
139.04056	0.8
161.95615	0.7
270.43213	0.8
271.22696	1.3
277.21716	73.0
278.22052	6.6
291.23376	1.5
296.50104	1.1
319.22885	1.6
499.30634	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	499.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.58217	1.9
84.02562	1.7
84.78580	1.9
91.03320	1.6
91.03909	2.3
106.90237	1.7
159.07736	1.7
163.73033	1.6
218.57994	2.1
240.70036	2.1
288.99121	1.8
341.10342	2.0
344.52020	1.8
365.26993	6.0
416.06885	1.8
484.68515	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	499.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09407	1.8
51.50507	1.8
59.01254	100.0
59.35656	1.7
60.01583	2.7
64.66345	2.1
69.40326	5.9
69.40748	13.4
71.01260	2.0
78.95778	2.5
98.19870	4.4
171.00471	2.2
241.40460	2.1
332.59036	2.0
365.26898	9.2
377.94580	2.7
455.47195	2.4
467.73755	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54019	1.2
55.01759	2.5
57.03330	2.4
59.01255	40.6
61.56614	1.3
69.03326	1.4
69.30365	2.6
69.30769	12.9
71.01250	16.5
72.99187	2.1
73.02818	7.8
74.83850	1.4
76.50399	1.2
83.01256	2.8
85.02822	21.4
89.02353	2.3
90.59851	1.4
93.03345	2.0
95.01275	3.8
95.85998	1.3
97.02860	1.8
98.20561	2.4
99.00775	7.6
101.02325	8.1
111.00772	1.9
113.02325	22.1
119.03408	1.2
125.02315	2.2
127.03934	1.5
129.01790	2.8
139.03926	2.6
143.03453	3.3
148.05209	100.0
149.05598	4.7
159.02910	1.3
161.04463	11.1
163.07561	98.3
164.07956	5.0
203.05603	1.6
205.03462	1.5
224.32553	1.6
275.07867	3.1
439.16269	7.0
457.17178	37.1
458.17514	3.9
499.17896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03307	0.4
58.22499	0.2
58.35020	0.2
59.01251	11.0
60.19841	0.2
61.13768	0.2
62.69401	0.2
69.47644	1.0
69.48079	0.9
71.01255	8.5
72.99185	0.3
73.02819	5.4
75.00760	0.2
78.64130	0.2
83.01263	1.2
85.02837	2.4
87.00748	0.4
89.02317	2.4
95.01257	0.3
97.02867	0.4
99.00755	5.5
101.02321	4.1
113.02332	5.9
121.02850	3.4
122.03645	0.3
125.02344	0.7
131.03401	1.0
143.03407	0.4
147.04424	0.6
148.05205	92.1
149.05566	3.8
159.02899	0.5
161.04469	4.2
163.07558	100.0
164.07895	4.2
167.09460	0.2
191.05501	1.1
203.05576	0.7
225.92168	0.2
275.07889	0.5
293.08929	0.3
325.13068	0.6
367.13870	1.1
377.14514	0.4
439.16116	0.3
457.17133	16.5
458.17517	1.5
478.06586	0.2
499.18216	13.2
500.18686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99706	0.2
55.01764	0.4
58.00470	0.2
59.01253	7.7
71.01256	5.0
72.99186	0.3
73.02821	3.8
82.19751	0.2
83.01260	0.7
85.02834	1.6
87.00743	0.4
89.02316	1.5
92.83616	0.2
95.01233	0.2
97.02863	0.2
99.00759	5.0
101.02328	2.8
113.02335	4.8
114.02619	0.2
125.02330	0.8
131.03397	0.8
137.02290	0.2
143.03432	0.4
148.05208	97.5
149.05537	4.4
161.04443	1.9
163.07561	100.0
164.07895	4.8
191.05605	1.0
198.14766	0.2
203.05661	0.4
229.36185	0.2
229.66882	0.2
247.96352	0.2
275.07697	0.3
293.09033	0.4
323.79529	0.2
325.12845	0.6
367.14038	0.5
399.78113	0.2
405.29565	0.2
439.15897	0.5
448.96545	0.2
457.17166	15.3
458.17468	2.2
499.18222	12.7
500.18481	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30658	7.1
59.01254	100.0
61.98707	7.8
69.26865	73.3
71.01243	22.1
73.02828	14.0
78.95769	18.5
83.04942	6.7
89.02301	15.9
97.25528	6.4
101.02297	13.5
109.02814	7.9
113.02238	8.6
149.05978	7.6
152.99519	13.6
161.04485	6.3
168.47966	5.8
200.58585	8.0
275.16595	25.5
304.21680	7.1
336.84174	6.9
398.53345	7.2
453.32248	10.1
454.57324	7.9
497.24466	14.3
497.31293	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	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10325	8.7
59.01252	100.0
61.66732	8.5
62.76933	9.3
71.01263	94.2
71.57893	12.5
71.66653	8.0
72.99202	60.5
73.02811	15.7
75.00760	46.6
79.95645	10.1
85.02843	30.7
87.00780	22.1
89.02326	70.8
90.01859	19.6
91.00241	70.0
99.00768	16.5
101.02338	43.6
105.61340	9.6
113.02363	34.5
119.03398	37.7
120.65263	9.1
125.02349	31.0
137.02371	10.3
161.04466	28.7
191.05533	24.4
242.59464	8.7
269.37170	11.1
385.57016	9.7
454.19836	31.9
497.14166	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	496.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11930	0.9
55.60212	0.8
57.03326	1.4
59.01255	100.0
60.01596	1.5
61.82777	1.1
61.98692	2.8
63.99683	0.8
71.01260	10.1
71.58198	1.4
73.02820	4.6
83.01245	1.6
85.02825	6.3
87.04382	2.5
88.07574	1.8
89.02293	2.0
92.04942	47.8
93.03356	1.5
93.05279	1.5
95.01299	1.3
99.00739	2.4
100.13816	0.9
101.02335	5.2
102.77026	0.9
103.03898	17.1
104.04227	2.8
113.02332	8.1
114.05496	2.8
123.04380	1.0
125.02304	1.2
137.02333	3.8
143.03404	1.0
145.83572	0.8
151.60686	0.8
152.04637	1.1
157.06473	1.2
161.04483	2.9
173.12888	10.3
175.29720	0.8
177.10286	5.8
191.05495	1.9
192.22624	0.8
217.54054	0.8
232.11855	2.3
317.17200	20.0
318.17587	2.1
335.09424	3.9
335.18134	5.8
338.91235	0.9
377.19427	2.4
410.54077	0.9
477.18527	0.9
496.28510	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	496.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54725	0.8
57.03314	1.1
57.20677	0.6
59.01253	100.0
60.01580	1.4
70.20724	0.9
71.01258	11.5
71.54774	1.4
73.02827	3.6
83.01273	1.7
85.02823	6.7
87.00769	0.8
88.07571	4.4
89.02306	3.5
92.04937	80.3
93.05256	1.6
95.01275	1.4
99.00750	1.9
101.02341	6.8
105.83111	0.8
112.77502	0.7
113.02341	7.4
114.05522	4.6
119.03333	0.8
143.03410	1.8
161.04482	4.0
173.12866	14.1
174.13191	0.8
177.10266	14.4
178.10568	0.9
209.15500	0.9
232.11845	2.2
250.12912	2.7
258.09842	1.8
263.82745	0.8
276.10696	1.9
299.65567	0.9
317.17163	29.1
318.17511	2.5
335.18286	15.6
336.18701	1.5
377.19333	3.6
378.28235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	1.7
57.03297	1.3
58.00447	2.0
59.01251	100.0
61.98680	3.5
69.03303	1.2
69.38707	1.5
69.39100	8.8
71.01255	58.5
72.60699	1.1
72.99165	2.1
73.02819	38.9
75.00723	2.0
83.01261	6.5
85.02362	1.0
85.02828	15.3
87.00726	2.2
89.02316	46.7
95.01223	4.5
96.95855	1.6
97.02785	2.3
99.00757	83.3
100.01101	1.5
101.02325	37.9
110.88522	1.0
113.02335	30.6
118.06445	3.9
119.03384	11.6
120.01140	1.6
121.05220	9.0
122.05939	3.3
123.06756	1.9
125.02342	6.1
130.01088	1.1
131.03400	8.1
142.06522	4.9
143.03300	3.5
146.06029	8.6
146.65800	1.0
149.04474	16.4
155.03366	1.7
160.07594	7.0
161.04472	7.6
179.05527	2.3
191.05556	22.1
203.05540	6.6
212.10611	2.7
213.10188	1.4
225.10190	2.6
226.07275	2.2
226.12245	2.5
227.08255	10.5
227.11655	1.1
233.06566	2.5
239.08043	1.5
241.09784	11.7
242.10298	3.7
253.09616	3.7
255.11369	9.0
256.11783	1.1
267.11227	2.5
268.12204	12.0
269.12955	7.3
270.13504	2.7
300.11261	7.6
304.11917	25.9
305.12164	2.5
314.12659	2.2
322.12949	30.8
323.13290	1.2
364.13947	19.9
365.13837	3.1
378.15466	1.3
392.19778	11.4
418.17123	2.9
436.18878	51.9
437.19296	5.7
454.17230	36.6
454.23175	2.5
455.17010	4.0
478.18988	2.0
496.18423	39.1
497.18204	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63123	1.6
57.03342	2.8
59.01244	3.7
59.75246	1.7
72.31239	1.8
77.27613	1.7
80.96357	1.8
83.04918	1.9
91.69733	1.5
97.06464	9.0
123.08043	6.5
125.09615	60.4
126.09908	2.1
139.11147	2.0
169.08633	2.1
171.10170	4.5
183.13855	2.9
187.09688	100.0
188.10011	4.0
199.13326	6.2
209.11777	34.7
210.12096	1.8
211.13342	52.1
212.13660	3.1
227.12851	5.0
234.64621	1.9
245.18898	2.6
249.15028	3.2
249.38318	2.6
256.35889	1.7
289.18033	22.7
290.18155	2.4
307.19168	30.1
308.19476	3.4
325.19846	1.6
422.43262	1.9
495.29184	3.3
508.33597	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	495.2965
Annotation	Lesterone
Peak:m/z	Relative Intensity
57.03320	3.8
59.01235	9.9
65.03842	2.5
69.03324	3.3
71.01250	3.3
71.04897	2.7
71.46343	2.4
72.91738	1.7
82.81722	1.7
83.04896	14.3
84.86881	1.7
85.02770	1.7
85.06445	3.4
91.03860	2.7
93.03294	2.3
95.04912	1.5
97.06458	6.6
109.06452	3.6
111.08044	6.4
119.04903	1.7
123.08054	5.1
125.09615	19.2
127.11132	2.1
133.10144	1.8
134.95209	1.7
137.09637	2.2
139.77211	1.6
171.10187	29.2
187.14899	5.0
189.12776	1.9
189.16457	3.6
190.27063	1.5
201.14885	1.6
203.14261	2.1
205.15990	7.6
209.11800	8.3
211.13321	24.2
215.12592	1.8
215.14391	7.4
221.15431	5.1
231.13858	6.5
233.15428	98.7
234.15791	5.9
249.14961	32.3
250.15337	2.5
251.16493	4.7
257.17471	1.8
283.19290	2.8
287.98270	1.8
310.21008	1.5
331.26486	5.5
341.24802	7.1
351.84091	1.6
359.25882	4.7
367.22955	3.8
375.25461	6.0
377.26923	3.9
385.23840	32.2
386.24188	3.9
393.26459	5.5
403.24887	88.9
404.25195	7.9
421.25943	70.0
422.26364	10.1
456.96075	1.7
477.21616	3.7
477.28589	97.2
478.28964	15.9
495.29648	100.0
496.30005	13.1
507.50125	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	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.4
59.01253	100.0
60.01598	1.0
61.98720	1.0
69.50726	4.1
69.51138	1.4
71.01263	7.2
73.02817	4.3
79.41454	0.7
83.01237	1.3
85.02824	4.5
87.00763	0.7
87.04396	43.2
89.02335	1.9
92.04951	2.5
98.26740	0.6
99.00778	1.7
101.02325	5.5
103.03894	28.7
104.04286	0.9
108.08157	0.8
109.19971	0.6
113.02328	4.4
120.04433	0.6
123.00901	0.6
125.02351	0.6
139.00235	0.7
152.08366	1.0
157.02303	1.4
161.04527	2.8
176.29422	0.6
184.05309	0.8
305.16199	0.9
347.17462	0.6
363.23996	4.9
397.45688	0.7
427.15131	0.6
435.23550	1.0
495.28210	9.7
496.28799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2605
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
56.83727	0.9
57.03320	1.9
58.00454	1.8
59.01253	100.0
59.27305	1.2
60.01591	1.0
61.98725	1.2
62.02954	1.0
69.84430	6.4
71.01259	32.2
72.99194	1.9
73.02822	20.3
76.03971	0.9
83.01252	6.3
85.02842	7.7
87.00762	2.5
89.02331	12.5
95.01271	2.9
98.19720	1.5
99.00756	1.5
101.02324	21.7
101.02982	1.1
110.87093	1.0
113.02332	15.8
119.03381	6.0
125.02351	2.0
125.06007	1.3
131.03461	2.1
135.04456	1.4
136.05165	2.5
143.03407	2.0
147.04372	1.6
149.04437	1.1
149.06049	1.7
151.07552	8.4
152.08328	12.4
161.04449	6.3
165.09131	1.7
179.05525	2.3
191.05554	1.2
203.10764	6.0
217.12357	3.7
218.12961	1.2
247.09818	2.4
261.37436	1.1
268.06729	1.0
273.18561	3.6
291.19611	4.4
420.21854	1.2
435.18292	2.0
435.23883	23.9
436.23962	2.8
438.22784	1.1
453.19101	1.7
453.24991	22.4
454.25089	2.8
477.24823	2.1
495.25839	23.8
496.26108	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	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07342	0.6
57.03325	2.7
59.01252	100.0
60.01595	1.0
61.98705	0.7
63.51651	0.6
69.64174	4.5
71.01252	6.5
72.43359	0.7
73.02829	4.8
75.58560	0.6
81.03374	0.7
83.01272	1.7
85.02834	1.6
87.04420	1.7
89.02343	1.0
93.03346	0.7
97.02814	0.9
99.00728	1.0
101.02319	4.6
103.03889	53.8
104.04218	0.9
109.02830	0.9
111.00806	0.7
113.02346	2.8
116.57174	0.7
119.03380	0.9
121.06500	0.8
122.03625	0.8
123.04449	1.2
127.50967	0.6
135.03522	0.6
135.04440	2.8
137.02364	0.7
161.02409	1.1
161.04514	1.4
173.06020	0.6
177.01846	0.7
183.13861	1.0
189.01942	0.8
189.09189	1.8
190.02647	0.8
191.05511	1.1
203.07216	0.6
203.10704	6.7
205.12427	0.6
215.12921	0.6
217.01430	0.8
260.35617	0.6
273.15027	4.5
275.16608	2.5
291.16095	2.9
333.17032	3.5
341.06671	3.7
435.20154	4.5
436.20715	0.9
453.21326	4.5
454.21872	1.1
495.22537	11.2
495.28851	1.2
496.22980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41841	0.6
55.01765	2.3
57.03331	1.7
58.00478	1.8
59.01253	100.0
60.01585	1.6
61.98703	2.1
69.03341	1.4
71.01257	37.9
71.58443	1.2
72.99202	1.5
73.02818	23.1
75.00758	3.0
81.78445	0.7
83.01244	7.3
85.02825	14.9
85.99979	1.0
86.65351	0.8
87.00752	4.3
89.02319	20.9
93.03335	4.5
95.01286	3.7
96.95905	7.1
97.02843	2.2
99.00758	32.5
101.02323	28.4
101.02998	1.0
108.02081	1.5
110.15807	0.8
111.00780	1.9
113.02331	21.0
115.07584	1.6
118.06540	1.2
119.03409	5.2
120.01143	0.9
120.33795	0.7
121.05247	5.0
122.06034	2.9
123.04433	1.8
123.06796	1.1
125.02366	3.4
129.01872	1.2
131.03384	5.1
135.04401	1.1
137.02376	1.6
142.06552	1.6
143.03439	2.8
146.06021	6.3
149.04443	7.0
151.00375	0.8
151.03911	1.4
152.04819	0.9
155.03503	1.3
159.03027	2.0
159.13828	1.0
160.04013	3.1
160.07642	3.2
161.04446	7.7
173.04594	0.7
177.01820	0.7
179.05566	1.1
189.01744	0.7
191.05547	9.7
196.03786	1.3
201.05602	2.8
203.05582	2.4
212.10803	1.4
213.89395	0.8
225.10393	1.0
226.07486	1.2
227.08205	6.2
233.06668	0.8
239.08209	1.0
240.09123	0.8
241.09843	6.2
242.10503	0.9
253.09795	2.7
255.11432	3.5
267.11502	1.8
268.12131	5.4
269.12979	4.1
300.11221	3.8
302.12564	1.0
303.18375	2.5
304.11908	8.7
314.12781	1.4
321.19168	16.2
322.12921	11.8
363.20221	4.9
364.14001	8.6
392.19882	7.0
418.17621	1.0
434.17630	0.9
435.22446	2.7
436.18808	33.2
453.23431	33.4
453.29648	1.6
454.17456	14.0
454.23993	3.2
495.17715	1.8
495.24741	24.4
495.31827	3.0
496.18576	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40504	0.2
51.69880	0.2
54.14621	0.2
55.01734	0.5
57.03312	0.6
58.00468	1.0
59.01254	26.4
60.01582	0.3
69.53315	0.4
69.53728	1.4
71.01257	13.7
72.01617	0.3
72.99175	1.0
73.02823	2.2
75.00742	0.9
80.04932	1.5
83.01256	1.3
85.02343	0.3
85.02831	4.4
87.00764	1.0
89.02321	9.0
92.36732	0.2
94.06500	0.4
95.01263	1.0
96.95873	0.4
97.02836	0.4
99.00760	1.2
101.02327	8.7
101.03001	0.4
104.04940	0.3
106.06540	0.4
108.04443	10.4
109.02858	0.5
109.04754	0.3
111.00720	0.3
112.01566	0.3
113.02342	4.8
119.03396	3.9
120.04432	0.2
121.02709	0.2
121.05218	1.6
122.06037	1.4
123.03126	0.3
124.07587	0.2
125.02354	0.4
131.03362	0.4
132.04451	0.6
134.05997	0.3
135.04393	0.3
136.07585	16.9
137.02249	0.2
137.07890	0.5
138.05516	1.5
143.03442	0.5
144.08124	0.3
147.03171	2.0
147.05574	0.2
148.03978	0.7
149.04312	0.2
150.05507	0.3
159.06833	0.4
161.04485	0.9
162.05540	5.9
163.05873	0.3
164.07155	0.3
165.05530	0.2
166.05020	2.5
169.12276	2.0
171.10164	0.5
184.11244	0.5
186.09157	0.3
188.07152	0.6
189.01889	0.4
189.77826	0.2
191.05513	0.6
197.07182	0.7
198.07915	0.7
200.05838	0.7
200.10706	0.5
201.05397	0.4
202.08641	0.3
202.12410	0.5
209.11754	0.2
210.07701	0.4
211.08566	0.3
212.09439	0.9
213.06596	2.3
214.07095	0.3
216.06604	1.1
217.01167	0.3
217.07297	0.5
220.89714	0.3
225.10283	0.6
226.07381	0.3
227.08202	0.7
227.11810	1.7
228.08948	0.9
228.27310	0.2
229.09782	1.9
237.06693	0.3
238.07442	2.4
239.08150	0.4
241.06174	1.5
241.09845	0.6
242.06953	1.9
242.10623	0.3
243.07506	0.3
243.11345	1.7
246.11308	0.8
253.09779	4.7
254.10445	0.8
255.07787	0.8
255.11272	1.1
256.08493	2.0
270.10083	1.4
271.10880	100.0
272.11221	7.5
288.07666	0.4
303.18289	0.4
315.10040	0.3
321.19159	2.6
328.10007	0.3
341.06656	0.5
363.20230	0.4
379.12534	0.4
405.21234	0.2
408.16672	1.0
433.16086	1.3
435.22409	0.2
436.18744	0.6
451.17474	0.7
453.23541	4.1
495.16220	3.4
495.24503	3.0
495.31793	0.8
496.16260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
58.00491	0.3
59.01252	7.8
60.01578	0.2
61.98693	0.3
66.34900	0.2
69.03337	0.3
69.96081	1.2
71.01254	8.0
71.19714	0.2
72.99187	0.7
73.02823	2.8
75.00748	1.7
80.96363	0.3
83.01263	1.3
85.02818	2.8
87.00763	0.6
87.30150	0.2
87.30683	0.2
89.02313	3.9
90.23620	0.2
91.01756	2.1
91.16124	0.2
93.03335	36.6
94.03666	0.9
95.01277	0.3
96.95870	0.4
98.19858	0.3
99.00755	7.8
99.04356	0.2
100.01093	0.2
101.02327	5.4
108.02051	28.4
109.02869	5.3
111.00772	0.2
113.02330	3.5
119.03385	0.5
125.02324	1.2
129.01833	0.2
131.03383	0.6
133.02849	0.2
135.04428	0.5
135.77338	0.2
137.02359	0.3
143.03404	0.8
145.06425	0.4
149.04501	0.5
149.05968	0.3
151.03804	0.3
153.01860	1.2
156.05788	0.3
157.06557	0.2
161.04468	2.0
173.05949	0.5
179.05519	0.4
183.04320	0.2
191.05536	2.6
192.66196	0.2
197.04501	0.3
201.05505	100.0
202.05849	5.7
233.06664	0.3
237.30121	0.2
269.13129	0.3
278.86862	0.2
293.08719	1.2
363.10797	1.9
433.25339	0.3
436.18710	0.3
453.23053	0.5
462.41891	0.2
476.24097	0.5
477.24121	0.7
495.15085	26.0
495.31387	1.1
496.15396	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.0
57.03335	3.9
59.01253	100.0
59.82907	1.7
71.01257	57.2
71.58750	1.9
72.99189	3.4
73.02814	12.0
75.00761	5.0
76.95782	1.9
83.01271	7.8
85.02824	16.9
87.00774	4.3
89.02317	38.0
93.03346	3.3
95.01266	3.4
95.75642	1.8
96.95925	4.6
99.00777	8.1
101.02325	37.3
102.02666	1.7
109.02861	3.7
111.00729	1.8
113.02335	23.4
119.03402	15.7
121.02866	2.2
123.04394	2.7
125.02336	6.1
127.07446	1.8
129.01871	2.9
131.03392	2.6
134.03613	2.1
135.04422	5.9
136.71167	1.7
137.02339	3.6
143.03413	5.4
149.02179	1.8
151.00221	2.7
151.03914	3.1
157.00511	2.6
161.04471	20.6
165.05396	2.7
179.05566	12.3
189.01900	2.1
191.05588	4.6
199.07651	4.5
217.01260	2.0
243.51511	1.9
271.19113	3.2
319.17432	3.1
331.17670	5.2
341.06720	5.7
366.06512	2.8
373.25934	2.4
384.07437	2.5
391.26886	5.6
433.24448	24.2
434.24692	2.2
450.05743	1.9
451.21231	4.1
493.23077	10.7
493.30377	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	493.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.1
59.01260	6.8
59.68346	4.2
67.07786	3.5
69.66579	29.4
70.45834	4.2
78.95757	4.3
83.04865	6.1
97.06490	4.5
109.06466	7.2
125.09628	15.2
133.06529	4.7
139.11191	29.0
140.36696	3.9
151.07622	7.1
161.09589	4.6
163.11203	8.2
171.10201	17.7
177.12662	5.2
181.12265	4.9
183.10234	9.2
183.13884	12.1
185.11713	18.1
193.12305	5.6
196.95906	5.1
201.11256	62.8
203.14391	7.7
207.10194	32.2
209.11839	5.4
211.13332	100.0
212.13687	6.5
221.15492	9.3
225.11348	18.7
229.84802	4.3
247.13380	9.1
249.14995	7.2
265.14609	4.3
279.23343	11.4
281.13922	8.2
298.47202	3.8
299.14966	6.1
309.20822	24.5
339.23096	5.6
357.24661	6.4
359.25772	5.1
373.23813	6.5
374.86923	4.7
383.22171	18.7
387.25433	11.1
401.23441	15.3
419.28281	45.5
420.28763	6.3
457.25845	6.1
475.26990	54.1
476.27316	8.4
493.27417	39.9
494.28552	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	493.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03331	0.6
59.01254	100.0
60.01594	1.0
65.01228	0.5
70.54668	1.9
71.01256	11.0
71.67097	0.6
73.02822	5.5
75.00735	0.7
77.13562	0.6
80.87491	0.7
83.01266	1.7
85.02835	4.0
87.00755	0.7
87.04427	0.6
89.02323	4.0
95.01269	0.7
96.95897	0.6
99.00777	2.4
101.02333	8.2
101.05968	1.1
106.06477	0.8
109.02875	1.2
113.02348	5.3
119.03402	1.3
131.03397	0.6
143.03430	1.0
148.05217	4.5
159.02875	0.6
161.04446	4.1
163.07553	6.4
212.90903	0.5
319.11908	0.9
373.22299	6.1
373.46539	0.6
374.22876	1.2
391.23346	8.0
392.23755	0.8
433.24384	2.4
451.16293	2.1
457.17224	6.6
458.17773	0.8
493.17624	1.4
493.26279	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01239	0.1
55.01773	0.2
58.00465	0.2
58.29510	0.1
59.01252	4.2
63.16754	0.1
68.44193	0.2
69.37372	1.6
71.01253	4.2
72.99175	0.2
73.02816	0.9
83.01259	0.6
85.02812	1.0
87.00745	0.4
89.02319	3.1
91.37024	0.1
95.01253	0.3
99.00780	0.2
101.02324	3.3
103.03867	0.2
113.02336	1.9
119.03368	0.8
125.02368	0.3
133.04939	0.5
136.17499	0.1
143.03407	0.3
157.04948	0.2
158.12921	0.2
161.04483	1.2
179.05545	0.4
228.73868	0.2
235.08116	0.8
237.22028	0.2
247.10294	0.2
253.09280	12.0
254.09584	0.5
255.23268	100.0
256.23624	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03308	0.2
58.00466	0.2
59.01251	6.0
69.03307	0.2
71.01256	5.3
71.58588	0.2
72.01598	0.1
72.99171	0.4
73.02813	1.0
79.96357	0.1
79.96822	0.2
83.01266	0.7
85.02831	1.4
87.00741	0.7
89.02317	4.1
91.03921	0.2
95.01256	0.5
97.02801	0.1
99.00735	0.2
101.02325	5.1
102.02666	0.1
103.03844	0.1
113.02335	2.4
114.02669	0.1
119.03422	1.3
125.02320	0.2
128.64125	0.1
133.04993	0.3
143.03436	0.4
161.04462	1.7
179.05522	0.6
181.70067	0.1
235.08191	1.3
253.09277	16.2
254.09715	0.7
255.23277	100.0
256.23621	8.4
290.25806	0.1
370.62897	0.1
439.61411	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	493.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	5.3
59.01254	40.8
69.78654	3.1
71.01258	34.1
71.58105	3.8
72.99183	100.0
73.02821	3.6
75.00743	4.2
81.03359	14.2
83.01292	3.5
84.02032	2.9
85.02837	8.3
89.02304	28.6
95.01283	3.8
97.02853	2.7
99.00759	3.4
99.04411	9.5
101.02325	22.9
106.60688	2.9
109.02886	4.6
113.02297	13.4
119.03395	11.6
121.06502	3.3
123.04398	8.1
125.02363	7.3
131.46938	2.5
137.02348	3.8
143.03427	4.0
151.03914	4.7
161.04543	3.2
167.03394	4.9
179.03491	3.7
179.05403	3.8
203.06929	3.0
209.04451	3.6
211.05025	4.3
245.08182	3.8
251.05559	10.2
252.05959	5.6
253.06139	9.4
281.06668	9.1
283.07138	8.2
289.07278	21.9
313.08038	4.3
373.10657	5.0
493.19699	19.5
494.19315	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	491.2666
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.44159	0.3
53.74055	0.3
58.95447	0.3
59.01236	0.6
66.03345	1.1
70.33765	1.3
71.02378	3.6
82.01584	0.7
91.05412	0.4
97.00307	0.6
98.01094	0.6
99.01876	0.9
110.03467	1.4
111.01900	0.7
115.08663	11.4
116.04944	1.7
118.06511	4.1
125.07108	4.0
126.02950	0.6
126.05501	2.0
131.04950	0.5
141.06598	4.7
146.06021	9.6
152.08197	1.2
153.06596	1.2
153.08974	0.6
163.08662	1.5
168.07706	1.0
169.13364	0.6
170.09274	2.9
173.07108	1.3
174.05527	1.1
178.56201	0.3
179.11839	4.0
189.06525	0.5
194.12912	1.0
196.14474	0.8
197.12848	1.0
200.10771	1.5
201.06612	0.5
202.12225	1.2
214.15578	4.5
216.07677	0.5
217.13358	1.1
222.12659	0.8
227.11884	3.6
228.10284	2.8
233.15514	0.9
240.07652	1.0
240.13341	0.4
244.14433	0.6
245.12930	3.2
247.16943	0.6
248.10805	0.9
251.15004	0.5
262.15591	3.1
269.16205	1.0
276.10190	0.4
283.13168	0.4
283.17950	0.6
290.28421	0.4
293.12659	0.4
299.17853	0.6
302.38318	0.4
310.15671	0.5
316.20142	0.4
326.18753	5.7
327.19070	0.6
344.19839	2.8
345.20328	0.4
390.17166	0.4
473.25336	0.5
478.71899	0.4
491.26608	100.0
492.26935	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44758	0.4
59.01253	100.0
60.01604	1.3
69.25657	5.2
69.26058	0.9
69.32896	0.5
71.01251	3.1
73.02840	1.4
77.61190	0.5
85.02851	1.6
89.02326	2.2
101.02312	3.1
107.23451	0.6
113.02352	1.3
114.82257	0.5
119.03454	0.7
158.33517	0.5
158.97525	0.5
161.04488	1.5
216.18713	0.4
232.46849	0.5
302.37228	0.5
371.20654	2.4
389.21866	8.9
390.22061	0.7
431.22842	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Lurasidone
Peak:m/z	Relative Intensity
51.44415	0.7
55.01744	2.1
57.03310	2.7
57.19729	0.8
59.01254	100.0
69.03311	0.9
71.01258	36.9
72.99171	1.9
73.02824	24.3
75.00707	1.2
79.08086	0.7
83.00801	1.1
83.01255	7.7
85.02359	1.1
85.02829	20.2
87.00742	2.4
87.83234	0.7
89.02321	7.1
95.01247	2.8
97.02825	3.5
99.00757	11.6
101.02328	33.2
111.00784	1.3
112.01537	0.9
113.02334	14.3
125.02331	2.5
131.03352	2.3
143.03374	2.3
153.11578	0.7
153.12752	0.9
159.02881	2.9
161.04477	12.6
167.65213	0.9
197.09657	6.3
205.03497	1.2
227.07022	0.9
229.18901	0.7
236.58199	0.9
251.16454	1.5
285.11258	1.7
299.18509	2.1
317.19675	26.1
318.20026	2.0
359.20660	2.2
428.97095	0.9
431.22546	1.2
449.23920	50.7
450.24030	3.3
491.24933	66.5
492.25278	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	491.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.9
59.01252	100.0
60.01587	1.9
61.01687	0.8
69.34971	1.3
69.35306	7.6
71.01258	11.3
72.01604	1.0
72.47082	0.8
73.02805	3.7
83.01259	1.4
85.02818	5.0
87.00813	0.9
89.02319	2.2
97.02834	0.9
97.20852	0.7
98.19832	1.7
98.22165	0.7
99.00789	2.8
101.02333	5.2
113.02348	4.1
119.03384	1.1
125.02361	0.9
129.01903	0.8
143.03384	1.0
159.02913	0.8
161.04515	2.7
191.66154	0.7
269.21652	0.7
287.12994	2.4
287.22324	4.0
315.18042	0.9
316.18677	0.7
317.18802	1.4
395.34744	0.7
431.26343	3.8
449.21890	3.8
449.28235	6.1
450.28320	1.0
472.07513	0.7
473.20688	0.7
491.22849	2.1
491.29495	13.3
492.29160	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13237	0.3
59.01253	100.0
60.01587	0.9
62.52390	0.3
63.46992	0.3
69.52619	0.9
69.53034	2.3
70.27978	0.3
71.01256	0.8
86.17377	0.3
89.02327	0.5
110.70746	0.3
112.17113	0.3
125.91671	0.3
175.57977	0.4
192.28012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92085	0.5
54.88412	0.4
55.01753	0.4
58.47529	0.5
59.01250	100.0
60.01587	1.4
69.24944	2.7
69.25365	3.2
71.01259	3.6
72.99182	0.5
73.02829	2.2
85.02841	1.9
87.00764	0.7
89.02312	2.4
101.02347	3.4
106.06524	0.6
113.02348	2.1
119.03379	0.5
123.04424	1.2
125.70767	0.5
151.03920	0.6
159.30946	0.5
161.04501	1.3
163.04021	0.7
201.34312	0.6
264.99438	0.5
371.20941	1.5
389.21854	2.9
407.27802	0.5
431.22437	0.7
431.27490	0.8
449.28415	0.8
491.24353	2.7
507.02158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01604	0.7
70.41173	1.7
70.41536	0.9
71.01257	2.8
72.00476	0.4
72.99187	0.5
73.02841	1.0
74.52146	0.5
78.68230	0.5
85.02840	1.4
89.02324	1.6
101.02345	1.5
101.99236	0.5
113.02307	1.1
119.03453	0.5
119.60186	0.5
125.02338	0.6
154.26854	0.5
161.04474	0.6
172.34885	0.6
179.05463	0.6
269.08264	1.4
287.09210	1.4
290.74106	0.6
371.20862	1.6
389.21823	2.6
431.22900	2.1
502.00903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79603	0.7
59.01253	100.0
67.01791	0.7
71.01264	5.1
72.99189	0.8
73.02819	2.3
83.01262	1.0
83.04897	1.4
85.02842	3.0
89.02342	2.9
95.01312	1.2
99.00789	1.2
101.02303	4.4
112.01569	0.7
113.02375	3.9
119.03394	1.6
120.79602	0.6
125.02367	1.4
135.04468	0.7
148.96715	0.7
161.04517	1.5
175.07684	1.2
179.05595	0.7
189.66136	0.7
191.05618	0.9
227.16542	0.8
229.48782	0.7
233.66209	0.7
243.06633	1.1
243.16261	1.1
287.09344	1.9
329.14316	0.8
362.22180	0.7
371.20746	0.9
385.14221	0.8
387.20279	1.1
389.21860	1.6
400.61493	0.8
403.18002	2.6
431.22992	1.5
491.12946	0.8
491.20291	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
69.70271	9.8
69.70676	23.4
71.01253	29.0
73.02819	29.6
83.01257	9.6
89.02310	4.8
93.41673	4.0
101.02354	26.4
110.38845	4.7
110.53299	4.5
113.02362	10.8
113.32850	4.4
141.34631	4.7
143.03313	4.2
145.62762	4.9
149.04436	4.8
157.14427	4.7
161.04451	11.8
318.70041	4.8
325.43359	4.6
387.20300	6.4
503.36078	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	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	71.5
70.31631	7.6
71.01263	23.1
72.99153	3.9
73.02822	11.3
75.00751	3.5
83.01254	5.8
84.21326	2.2
85.02820	7.8
87.00762	3.6
89.02313	7.7
95.01236	2.2
96.95898	2.6
99.00768	3.5
101.02319	15.6
113.02319	8.7
120.99525	3.7
125.02350	2.2
131.03352	2.7
134.03616	2.9
135.04456	2.2
151.03928	2.6
191.05522	4.9
193.04962	4.7
209.11681	2.7
225.14919	6.6
243.15977	16.4
269.12949	4.7
329.23212	3.0
335.17859	2.7
336.18420	3.3
347.32565	2.4
352.51605	2.4
387.20169	10.0
405.21268	39.6
406.21503	3.8
447.22342	100.0
448.22647	9.9
491.27982	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89396	0.4
59.01250	100.0
60.01589	0.6
63.57993	0.4
70.97529	0.9
71.01252	3.5
72.99203	0.9
73.02816	2.0
74.84111	0.4
85.02843	1.9
89.02299	2.3
93.03374	0.5
96.95910	0.8
97.02877	0.6
101.02338	1.9
113.02346	1.0
119.04995	0.6
125.02453	1.0
133.02835	0.7
149.04564	0.9
151.00293	1.2
151.03960	0.6
161.04539	0.7
180.04263	2.0
191.05655	0.8
195.06581	2.5
197.11938	0.7
209.11905	0.5
255.02934	0.6
261.05524	0.7
285.04056	6.7
286.04318	0.6
293.08893	0.5
327.12482	0.7
338.04755	0.4
379.68225	0.5
489.27435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
57.03318	0.9
59.01248	3.0
59.85616	0.6
61.99615	0.6
69.03337	1.7
71.01252	2.5
71.15217	1.4
73.02820	1.3
73.43442	0.6
81.03333	9.6
83.01257	11.8
85.02825	2.5
91.05370	0.7
93.03342	3.0
95.01264	1.7
95.04895	7.3
97.02821	4.8
99.04394	2.6
107.04902	2.4
108.02091	1.3
109.02852	4.9
109.06464	1.0
111.04399	2.2
113.02318	2.0
119.04912	2.0
121.02831	4.3
121.06425	0.8
122.03651	0.8
123.00748	0.8
123.04414	19.4
124.04762	1.1
125.02349	12.1
135.04416	4.2
137.02342	5.4
137.05978	9.5
139.03915	10.4
141.05536	1.2
145.02832	0.8
147.04425	2.1
149.02335	1.3
149.05994	2.0
151.03903	3.2
151.07535	1.0
153.05539	1.8
161.06010	1.7
163.02759	0.9
163.03870	4.3
163.07558	0.7
164.04675	2.5
165.01820	3.0
165.05469	6.9
167.03409	36.9
168.03860	1.4
175.03992	1.1
177.01784	0.8
177.05478	3.3
179.03419	10.4
179.06964	1.4
180.04153	1.8
181.04991	3.0
189.05450	1.5
191.03477	1.9
193.05020	6.2
194.05617	1.1
197.04565	3.9
205.05037	1.1
206.02100	1.1
207.02835	0.7
207.06673	1.3
209.04498	53.4
210.04843	2.7
216.91832	0.7
219.02928	1.8
220.03633	1.6
221.04482	13.8
222.04974	1.5
223.06073	1.9
233.04536	1.5
235.06100	4.0
239.05574	17.1
239.07851	1.3
248.03183	1.3
249.03995	1.1
251.05592	100.0
252.05969	5.8
263.05612	4.5
265.07138	1.4
269.06665	1.7
281.06662	58.1
282.07068	4.3
293.06708	4.7
311.07758	12.9
312.08124	1.5
323.07651	1.0
335.07669	1.3
353.08810	5.8
371.09814	13.2
372.10263	1.2
383.09763	3.5
401.11017	1.1
491.13962	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.9
57.03320	2.5
58.00471	0.9
58.81381	0.6
59.01254	100.0
69.03335	1.2
70.06950	2.6
71.01257	44.3
72.99178	0.7
73.02824	24.2
74.42883	0.5
75.00759	1.3
81.03310	0.7
83.01273	6.2
85.02826	20.5
87.00761	2.4
89.02322	12.2
95.01273	5.1
97.02844	1.9
98.20474	0.6
99.00763	17.0
101.02329	23.3
111.00777	1.7
113.01519	0.9
113.02334	18.4
118.21600	0.7
119.03410	2.5
119.04800	0.8
125.02353	2.2
127.03904	0.8
129.01878	0.9
129.49571	0.6
131.03413	2.7
143.03415	1.6
149.04451	1.6
151.03888	0.9
152.01065	0.9
153.12802	0.8
155.03491	0.7
159.02953	2.9
161.04466	15.3
168.36737	0.6
191.05565	2.7
195.08086	1.3
201.04012	1.2
205.03534	0.9
297.17035	2.2
305.35214	0.6
315.18094	17.6
316.18588	1.5
357.19260	1.5
429.21310	1.9
447.15961	1.2
447.22330	42.0
448.22711	5.5
489.23349	42.3
490.23792	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32228	0.5
59.01254	100.0
60.01615	1.2
69.70456	4.1
71.01263	2.0
73.02832	1.4
76.22317	0.6
85.02834	0.8
89.02316	0.9
101.02345	2.1
101.49430	0.6
113.02380	0.9
122.03674	0.6
139.55975	0.6
152.03447	6.3
153.03830	3.3
161.04543	0.7
189.01917	1.5
195.03004	0.7
284.03314	1.4
285.04156	2.1
341.07031	1.3
387.20215	1.0
416.56900	0.7
422.94440	0.6
430.83997	0.6
435.86203	0.7
489.10303	1.1
489.23923	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03312	1.0
58.00465	2.2
59.01252	89.7
60.62156	0.8
62.81383	0.7
69.03332	1.9
70.92464	2.4
71.01256	40.1
72.01577	1.1
72.99170	1.4
73.02821	32.7
83.01255	4.5
85.02826	8.1
87.00703	1.0
89.02319	36.6
95.01257	2.7
97.02819	1.5
98.85867	0.7
99.00759	100.0
100.01102	1.9
101.02322	17.5
113.02330	17.9
119.03376	5.8
125.02347	5.3
131.03392	11.4
143.03418	4.7
147.90060	0.8
149.04454	27.9
155.03391	3.7
161.04468	11.2
179.05550	1.8
191.05545	37.4
192.05759	1.5
203.05547	14.7
233.06593	2.0
447.22125	8.0
448.22632	1.1
465.55890	0.9
489.23373	10.3
490.23257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15964	0.3
54.35669	0.3
59.01260	3.7
65.06487	0.4
67.01760	0.9
67.49345	0.4
71.01277	0.9
71.96139	0.3
85.02824	0.5
88.77386	0.3
90.44978	0.3
93.03333	5.2
99.00736	0.5
104.83337	0.3
113.02316	0.5
117.06988	0.5
119.04917	100.0
120.05235	3.2
135.04419	17.8
135.05246	0.3
136.04713	0.7
137.05986	0.8
139.26595	0.4
141.83725	0.3
147.04420	14.7
148.04774	0.4
149.05959	0.9
150.97168	0.3
159.04419	0.7
161.05988	17.9
162.06331	0.8
165.05490	73.2
166.05855	2.4
173.06013	1.3
179.07051	8.5
180.07390	0.4
183.85947	0.4
191.06992	0.7
202.39334	0.4
267.10199	5.8
285.11322	68.8
286.11691	4.5
327.12207	0.5
434.10019	0.4
455.03143	0.4
489.27328	1.7
499.19183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52301	0.8
57.03326	1.2
58.02850	2.1
59.01253	100.0
60.01587	2.5
61.98697	0.7
71.01263	8.4
71.57723	0.9
73.02818	3.8
75.00761	1.1
78.95770	0.7
83.01272	1.6
85.02808	1.7
86.23067	0.7
87.00774	1.8
89.02334	4.0
94.02863	8.6
95.01231	0.9
95.03223	2.9
96.95989	0.7
96.96852	0.9
98.02364	9.6
98.70041	0.7
99.00781	2.3
99.01902	7.5
99.02689	1.4
101.02331	12.7
102.01855	4.1
109.02854	2.2
113.02357	4.3
115.00269	1.3
115.92001	2.0
119.03396	1.7
125.02367	1.2
134.72827	0.8
135.68495	0.7
143.03421	0.9
149.04530	1.0
151.03897	1.5
161.04533	2.3
175.02388	1.3
179.05679	0.8
191.05559	1.4
210.90215	0.7
261.63455	0.7
327.05273	1.1
387.20468	1.1
389.11011	0.8
429.23260	0.9
447.16898	1.6
458.58963	0.8
489.18088	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	489.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61924	0.5
50.75442	0.5
52.87176	0.5
55.01760	0.8
59.01252	49.7
60.01588	0.7
65.03799	0.5
67.01752	4.1
69.03328	1.4
69.77402	2.8
71.01252	25.6
72.99177	0.9
73.02818	42.0
73.61618	0.5
74.03165	0.5
75.00747	0.8
81.03296	0.5
83.01260	10.9
85.02829	3.2
87.00743	0.6
89.02316	4.5
93.03339	22.4
99.00771	1.4
101.02324	31.6
102.02651	0.7
113.02332	6.6
117.06989	3.5
119.04916	100.0
120.05235	4.9
121.02864	0.6
125.02353	1.6
131.03455	2.7
135.04475	3.1
143.03421	2.7
147.04425	29.1
148.04788	1.0
149.04485	2.0
155.03378	1.0
159.04428	3.0
160.05273	0.8
161.04529	5.6
161.05975	48.2
162.06293	2.5
165.05376	0.5
173.06013	4.4
175.07550	0.5
191.05580	0.6
196.03749	0.7
203.05504	0.8
203.15549	0.5
223.11125	0.6
226.43068	0.5
255.10179	0.5
267.10251	67.6
268.10593	6.1
285.11349	0.6
327.15509	0.6
357.12271	0.7
358.17789	0.5
369.11871	6.1
370.12204	0.6
373.25684	0.7
392.22049	0.5
489.17538	7.1
489.26865	3.4
490.17920	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	489.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87165	0.6
57.03329	1.0
58.00454	0.6
59.01253	24.5
61.96885	0.6
63.85900	0.6
65.64165	0.6
67.09460	0.6
69.03334	1.3
69.41180	4.8
69.41605	1.1
71.01256	21.9
72.99195	1.7
73.02830	5.6
73.81465	0.6
75.00745	1.7
83.01254	1.6
85.02822	4.3
87.00787	1.1
88.56197	0.6
89.02318	20.4
93.03347	1.2
93.32230	0.6
95.01257	1.3
99.00767	6.3
101.02316	14.8
102.01842	0.9
105.58090	0.6
113.02334	5.9
115.03863	1.0
119.01269	1.0
119.03405	4.5
121.02856	6.6
121.04973	1.2
122.86192	0.6
123.00774	2.4
123.04395	0.9
125.02337	3.2
131.03418	3.2
132.02078	0.7
134.03610	0.9
135.04428	1.1
137.02434	0.8
138.03125	4.1
143.03418	1.0
147.04448	4.0
147.05423	0.6
149.02353	46.7
149.04333	9.2
150.02797	1.3
151.03951	1.0
152.01071	0.8
153.01927	0.8
153.05479	6.2
158.40602	0.6
159.02989	0.8
161.04485	4.5
163.03925	1.4
164.04701	46.7
165.05061	2.2
175.00246	5.4
175.08183	0.6
176.00963	0.8
177.09154	3.2
179.05609	1.2
179.07074	6.6
179.87010	0.6
190.02666	12.0
191.05522	4.2
205.05017	10.7
206.05386	1.2
208.03505	1.1
209.04651	0.6
221.06667	0.6
223.06071	100.0
224.06332	4.2
233.06599	1.6
242.48309	0.6
251.07719	1.5
265.09360	0.8
283.10254	1.3
285.25488	0.6
293.08655	1.3
357.11874	0.7
357.15677	5.2
358.15567	0.7
447.14905	1.3
489.19727	16.5
490.19980	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	489.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.5
59.01249	18.5
62.04059	2.6
69.85435	18.5
71.01253	100.0
72.99178	30.4
81.67026	2.9
85.02831	9.0
87.00755	30.1
89.02309	8.8
96.77556	2.6
96.95832	4.4
101.02327	4.9
101.05927	3.0
108.02026	18.6
109.02816	9.6
113.02312	4.0
115.00273	23.5
115.84013	2.7
123.04367	3.7
129.01854	15.7
133.01337	3.8
135.04352	4.5
147.02892	86.0
147.06503	13.5
151.03908	10.9
152.01074	27.1
153.05458	6.0
163.03816	3.1
179.05533	6.1
191.05583	32.5
253.93495	2.8
267.08853	3.0
341.10922	27.6
353.08759	5.2
417.67432	3.0
489.12347	30.8
490.12955	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	489.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63374	0.7
59.01251	13.0
59.07132	0.7
59.34273	0.7
61.01731	0.7
70.74757	0.8
70.75118	2.7
71.01254	7.3
73.02823	1.8
81.03304	1.1
83.01268	1.1
85.02847	1.2
87.00746	4.3
89.02323	11.6
95.01275	1.0
95.04906	1.1
98.19844	0.8
99.00718	1.3
101.02326	1.9
108.02023	0.8
109.02836	2.6
111.00754	0.8
113.02335	1.6
115.00260	8.9
121.02838	1.1
123.00811	1.0
123.04417	15.5
124.01569	3.1
128.10280	0.7
133.02853	2.7
133.04959	15.1
135.04372	2.2
137.02342	42.9
138.02692	1.1
139.00262	1.8
139.03900	3.7
149.02303	1.7
150.03087	1.7
151.03915	44.5
152.04701	43.5
157.01343	3.2
161.04498	1.7
167.03436	1.0
167.07033	5.2
175.02405	12.8
175.03896	1.1
177.01851	2.7
178.02658	4.3
193.05069	5.0
195.02910	7.2
196.03705	100.0
197.04071	4.6
211.06061	56.0
212.06430	2.8
223.06050	1.5
226.12123	0.8
269.12982	1.5
284.03284	2.2
297.03912	1.8
298.04794	3.1
299.05664	5.1
313.11804	1.1
327.05099	36.0
328.05383	3.3
340.08105	2.5
343.12936	1.0
355.10364	17.6
356.10696	1.2
358.09015	4.5
373.11383	37.3
374.11700	1.7
409.13931	0.9
427.15149	1.1
430.11157	2.5
445.13489	31.8
445.19730	1.6
446.13760	3.3
474.13998	1.5
489.10806	1.1
489.16064	20.6
490.16519	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	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81299	0.5
59.01250	16.6
69.30255	2.6
69.30688	2.7
71.01251	4.4
72.99184	0.5
73.02820	2.0
75.00735	1.0
78.53940	0.4
83.01270	0.7
85.02825	1.7
87.00737	0.5
89.02314	2.0
89.03857	0.6
93.03360	0.6
95.01235	0.6
95.04921	0.8
99.00766	1.0
101.02330	3.1
105.03345	30.1
109.02819	1.5
113.02334	1.9
119.03384	0.7
123.04398	1.8
125.02333	1.5
132.02032	0.6
133.02847	16.5
134.03677	0.8
135.04401	2.1
136.01628	0.6
137.02350	1.2
143.03398	0.5
147.04349	1.0
148.03999	0.5
149.02345	13.0
149.05966	0.8
151.03877	1.0
157.09529	0.4
161.02338	1.1
161.04510	0.6
162.03168	0.7
165.07350	0.5
167.03416	27.8
168.03764	1.1
175.04005	0.5
177.01842	1.4
177.05600	0.6
179.03383	1.3
180.04214	5.4
189.01863	2.7
191.07083	2.2
195.06551	7.5
195.08145	0.6
207.13853	0.5
217.01370	1.4
224.04826	0.5
231.02951	0.9
239.07069	4.5
239.76407	0.5
267.06708	0.5
281.04620	1.1
282.05316	1.4
283.06113	100.0
284.03503	1.0
284.06424	8.8
285.04031	2.5
285.07410	0.7
296.06992	0.5
309.04047	6.5
325.07156	3.7
327.05048	4.1
327.12201	4.8
328.12720	0.5
341.06546	1.6
349.06973	0.6
370.46689	0.5
380.07770	1.3
401.12735	0.6
429.25113	1.1
445.11407	2.3
447.25989	0.7
489.10413	6.5
489.16940	1.5
489.26956	2.0
490.10544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1042
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.50197	0.2
51.62597	0.2
53.42770	0.2
57.03312	0.3
57.14575	0.2
59.01249	6.4
63.02247	0.5
65.00198	1.1
70.23015	0.7
70.23446	0.3
71.01243	1.5
73.02813	1.3
73.27462	0.2
75.00745	0.3
82.53291	0.2
83.01258	1.0
85.02831	0.5
87.00737	0.3
89.02304	0.7
96.95875	0.3
99.00750	0.3
101.02322	0.7
101.30846	0.2
105.03326	0.3
107.01277	2.1
108.10612	0.3
109.02886	0.3
113.02288	0.5
117.36562	0.2
119.03400	0.2
119.04923	0.3
121.02814	0.3
123.04395	0.2
125.02341	0.4
132.02080	0.4
133.02844	11.7
134.03177	0.4
135.04417	0.7
137.02304	0.4
138.97441	0.3
143.86601	0.2
147.04370	0.3
149.02335	2.1
150.99136	0.3
151.00279	4.9
161.02257	0.2
169.06429	0.2
171.04434	0.4
175.03931	3.3
177.01801	0.2
179.10756	0.4
180.04227	0.3
189.05450	0.3
191.05510	0.3
191.07071	0.8
191.16203	0.2
195.01436	0.4
195.06587	0.3
197.05998	0.4
198.03171	0.2
199.03970	1.7
201.01869	0.7
213.05502	0.7
215.03519	0.4
217.05000	1.4
217.12231	0.3
223.04030	0.4
229.05136	0.5
239.03400	0.3
240.04353	0.3
241.05008	1.1
243.02951	0.8
256.03668	0.2
257.04410	0.4
258.61005	0.2
267.02933	0.4
267.15955	0.6
284.03256	0.9
285.04037	100.0
286.04379	8.0
327.12390	2.8
327.18250	1.9
327.21912	0.3
328.12885	0.3
337.07175	0.4
353.06628	0.3
369.13702	0.2
371.11285	0.8
383.11185	1.2
489.10541	0.9
489.26724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08611	0.8
59.01257	13.7
71.01249	1.1
71.58501	1.9
83.04905	3.6
90.55574	0.7
93.03358	2.6
93.79024	0.7
100.02282	0.7
106.04135	1.6
109.06462	1.1
110.49545	0.8
119.04923	77.4
120.05267	3.3
121.02823	0.9
121.06488	0.8
126.14086	0.8
131.04971	1.0
132.05698	1.2
137.68944	0.8
149.09564	1.1
151.11205	17.6
152.11652	0.8
177.12813	4.7
214.09952	3.0
283.17038	100.0
284.17404	9.6
345.13919	1.3
379.74405	1.0
427.02933	1.1
487.34113	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	488.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01926	0.6
54.50896	0.6
55.01757	0.8
57.02227	0.7
57.03314	1.0
58.00495	0.6
59.01255	59.3
60.01604	0.8
71.01256	12.4
71.45168	1.1
72.01603	0.7
72.99194	2.2
73.02827	5.5
78.95766	1.2
80.81274	0.6
83.01246	1.4
85.02831	5.4
87.00746	1.6
87.46110	0.7
89.02334	5.9
94.02864	100.0
95.01286	1.0
95.03197	2.8
96.95891	2.6
96.96838	1.3
98.02355	19.3
98.95475	0.6
99.00748	4.1
99.01865	1.4
99.02654	0.8
101.02328	9.7
110.02364	1.5
113.02331	6.6
119.03387	2.0
125.02354	1.4
131.03400	0.8
138.05556	1.4
142.32248	0.7
151.03905	2.4
151.98578	0.8
152.04283	1.7
159.02901	0.9
161.04471	4.6
164.74962	0.7
175.02444	0.7
179.05583	1.5
208.56047	0.6
213.34222	0.7
219.08676	1.4
296.11621	1.2
314.12497	7.2
315.12573	0.9
329.95905	0.7
351.13004	2.7
354.72311	0.8
387.20218	1.2
393.14014	2.3
428.22891	2.7
446.16696	15.9
447.16995	1.0
488.11227	2.8
488.17773	12.7
489.18204	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86039	0.7
55.01764	2.0
57.03337	0.9
59.01254	53.2
60.01590	0.7
60.82053	0.7
69.03301	1.2
69.31352	7.0
71.01255	26.8
72.99191	1.6
73.02824	16.3
80.96411	1.3
81.03362	1.6
83.01263	2.2
85.02828	6.6
85.51213	0.7
87.00787	1.7
89.02312	18.7
89.02832	1.4
93.03347	8.8
95.01270	1.9
96.95902	1.5
97.02802	1.2
99.00761	48.3
101.02324	10.2
105.07011	1.7
109.02847	0.8
111.00780	0.9
113.02335	8.0
119.04921	100.0
120.05264	4.1
123.00768	2.1
123.04387	1.2
124.01498	3.7
125.02357	9.0
131.03406	7.5
131.04291	1.1
134.03636	1.3
135.04419	54.5
136.04768	2.0
137.02357	0.9
143.03426	1.8
149.02458	0.8
149.04485	10.3
149.05992	20.3
149.99490	5.8
150.06300	1.5
151.11209	0.9
155.03384	2.5
161.02310	1.0
161.04530	4.4
161.05774	1.3
166.02644	0.9
168.00546	12.5
187.07594	6.4
191.05540	14.5
193.06500	1.7
197.08881	0.8
201.09174	8.2
202.09563	1.0
203.05530	5.5
205.08644	56.0
206.09035	3.5
219.10184	5.6
255.10252	1.7
277.28806	0.9
283.09622	1.3
307.13321	5.4
307.19073	0.7
313.16608	2.8
325.14441	83.9
326.14798	10.9
329.23300	1.5
445.20792	5.4
487.10895	8.1
487.20016	8.6
488.11536	1.1
488.21338	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	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21003	1.4
53.62598	1.6
53.70957	1.3
57.03316	2.7
57.52858	1.3
57.62230	1.5
59.01253	100.0
69.52697	1.4
71.01252	19.6
71.08362	1.5
72.71357	1.6
72.78898	1.5
73.02812	11.7
83.01266	4.8
85.02827	8.2
87.00758	3.6
89.02316	7.2
93.03324	3.0
96.95861	2.3
99.00777	5.7
99.04443	1.5
101.02335	21.0
109.02838	2.4
113.02352	9.5
115.32139	1.6
119.03387	2.6
119.04939	2.9
121.02853	4.5
123.04459	2.2
125.02303	2.2
135.04399	5.0
137.02341	4.0
139.03912	4.1
147.85472	1.8
149.04417	2.3
151.03899	4.1
153.09131	3.1
161.02394	2.8
161.04492	6.9
163.03909	15.6
178.06274	13.0
179.05629	1.8
191.05585	5.2
193.08630	22.8
205.12306	8.2
223.13438	2.5
239.54105	2.0
249.31381	1.6
255.06560	5.3
307.09610	2.1
325.10745	15.6
367.08170	2.1
367.17398	4.4
385.18570	2.2
420.10379	1.7
427.20120	2.4
487.18381	6.4
487.24667	2.3
487.30026	2.4
499.97522	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	487.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
59.01249	16.6
67.19585	0.6
71.01257	7.2
71.58782	1.0
73.02820	5.7
76.39717	0.7
85.02818	2.6
86.65368	0.6
89.02323	5.8
91.12820	0.7
93.03330	6.2
95.01301	0.7
96.95917	0.9
99.00758	13.1
101.02342	2.6
105.06994	1.9
106.27183	0.6
107.04898	1.0
113.02340	3.4
119.04916	100.0
120.05276	4.6
122.33666	0.6
125.02299	1.5
131.03415	1.6
134.03653	1.1
135.04414	51.4
136.04776	2.0
143.03458	0.7
149.04503	3.7
149.05988	17.9
161.04436	1.7
161.05980	1.9
166.02559	1.0
168.00539	1.8
187.07588	4.1
191.05547	4.9
193.06511	2.4
201.09166	8.8
203.05606	2.2
205.08640	48.5
206.08997	1.7
219.10220	6.7
220.10690	0.7
240.78558	0.7
255.10266	1.4
283.09698	0.7
307.13403	4.4
308.13412	0.7
313.16428	1.0
325.14453	81.5
326.14828	8.8
373.25504	0.7
430.33191	0.7
445.20703	1.7
487.10565	1.3
487.20111	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03329	0.8
59.01253	38.9
69.03304	0.7
69.62677	4.3
70.06451	0.6
71.01255	14.6
73.02820	11.1
80.24670	0.5
80.96393	1.0
83.01267	1.7
85.02810	4.9
89.02319	10.9
93.03336	6.6
95.01291	0.9
96.95893	1.0
97.02827	1.4
98.20526	1.0
99.00761	29.7
100.01081	0.8
101.02322	7.3
105.06976	2.2
107.04955	1.0
109.02804	0.7
113.02345	7.2
119.04921	100.0
119.65585	0.6
120.05283	3.5
123.00793	1.9
124.01578	3.7
125.02348	6.7
131.03368	3.6
134.03586	0.9
135.04420	52.7
136.04785	2.2
137.02396	0.7
143.03365	1.1
149.02380	0.5
149.04477	9.2
149.05995	17.3
149.99487	4.9
150.06412	1.1
151.11215	1.0
155.03404	1.2
159.00511	0.6
161.04474	3.0
161.05998	2.3
166.02571	1.4
168.00557	12.1
187.07610	5.1
191.05540	12.0
193.06569	1.5
201.09114	10.1
203.05576	4.2
205.08649	49.1
206.08966	2.5
219.10223	5.6
220.10527	0.8
231.10202	0.6
233.06726	0.6
255.10335	2.1
283.09891	1.4
289.18158	0.7
307.13333	3.8
313.16632	1.3
325.14441	76.0
326.14767	8.1
329.23273	0.8
373.26007	0.7
445.20386	3.9
487.11139	5.9
487.19818	5.4
487.26871	1.0
488.11829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97124	0.5
57.03331	0.5
58.00461	2.1
59.01249	45.0
60.01617	0.6
69.28374	1.8
69.28796	3.8
69.93065	0.6
71.01254	20.5
72.99174	2.3
73.02831	2.4
83.01249	1.1
85.02831	4.4
87.00748	1.3
89.02319	20.8
93.03334	16.9
95.01264	1.6
99.00755	1.2
101.02325	12.7
107.04909	2.9
113.02335	8.1
119.03407	8.0
119.04915	100.0
120.05254	3.3
125.02316	0.9
131.03400	1.0
134.70973	0.5
135.04370	1.0
143.03410	2.0
149.04504	1.1
157.06456	0.5
157.10139	0.6
161.04475	1.6
175.07635	1.2
179.05504	2.1
180.48315	0.6
185.06046	0.8
186.06850	0.6
187.07585	30.6
188.07855	1.2
191.05624	0.8
193.06523	0.8
201.09152	27.8
202.09526	1.5
209.11803	2.2
213.09181	2.0
224.08537	0.8
247.58437	0.9
251.07028	0.9
263.07007	0.9
264.07883	0.8
307.13382	53.0
308.13620	5.1
321.31113	0.6
357.35739	0.6
365.62808	1.0
367.13922	1.6
427.23273	1.1
487.19812	2.3
487.26083	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	487.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93417	0.5
59.01251	7.4
63.83574	0.5
69.62152	1.6
69.62578	2.6
71.01259	2.4
71.51830	0.5
72.95811	0.5
73.02833	1.0
85.02830	1.0
87.00768	0.6
89.02329	0.9
93.03329	6.0
96.95857	0.8
98.20512	1.2
101.02328	1.1
109.02843	0.6
113.02280	0.9
116.61478	0.6
119.04916	100.0
120.05277	3.2
123.04404	0.7
125.02384	0.8
126.73337	0.6
135.04405	1.3
136.05188	0.6
147.04361	1.1
148.63116	0.5
160.05135	0.6
161.04497	0.6
163.03925	0.9
172.05225	1.4
175.07565	9.9
177.09184	1.7
179.10692	0.6
185.59691	0.5
186.06847	0.8
187.07571	11.3
189.09148	11.3
191.05499	0.7
201.09132	1.4
205.08641	72.1
206.08969	4.1
219.10187	7.0
220.10555	0.6
282.61496	0.7
289.07211	1.0
295.13376	2.4
311.23721	0.6
325.14432	65.7
326.14767	5.9
369.06058	0.7
390.97900	0.6
399.10944	1.4
487.25946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94008	0.3
55.01767	1.9
57.03318	0.6
59.01250	7.9
61.82202	0.5
67.42368	0.4
71.01257	16.6
72.99166	0.5
73.02824	10.0
83.01255	4.0
85.02824	4.8
85.63324	0.3
87.00766	1.1
89.02315	5.1
90.50699	0.3
95.01248	1.1
97.02840	0.5
99.00759	23.8
100.01105	0.5
101.02322	19.0
107.04937	0.4
113.02332	7.2
125.02326	1.2
131.03407	1.9
135.04404	7.2
143.03426	2.8
159.02898	1.0
161.04474	11.2
161.05835	0.7
162.04793	0.7
163.03920	68.8
164.04401	4.1
176.68520	0.4
178.06271	65.0
179.06908	5.0
179.17696	0.4
191.05544	5.0
193.01672	6.9
193.08633	100.0
194.08965	5.5
203.05566	2.2
212.09473	0.4
214.68414	0.4
293.08853	2.9
323.11401	1.0
355.13849	0.8
487.11951	0.9
487.18185	25.9
488.18414	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	487.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.3
64.44332	0.8
65.03839	2.0
65.49403	0.8
69.47383	0.8
69.47679	8.7
71.01260	2.6
72.99128	0.8
73.02808	1.0
79.05426	1.3
83.04869	0.8
85.02811	1.6
85.32964	0.8
89.02322	2.0
91.05415	11.0
93.03320	4.9
98.19843	1.7
101.02318	1.8
107.04926	3.1
108.02100	1.7
109.02836	11.4
109.06478	1.7
110.03184	1.1
113.02315	1.5
119.04939	4.9
121.02848	38.1
122.03609	2.5
134.03632	9.7
135.04420	98.9
136.04739	3.2
141.20985	1.1
147.04424	21.1
148.05243	6.5
151.03966	1.8
159.11766	1.5
177.09138	18.5
178.09503	1.2
187.07550	1.1
189.09145	35.5
190.09520	2.5
201.09184	2.4
203.10715	100.0
204.11063	5.2
215.10774	9.0
216.11006	1.0
253.42577	0.9
297.09888	1.0
307.13474	2.0
325.14459	56.8
326.14709	5.8
338.88007	0.9
343.15390	1.2
487.19644	11.5
487.25610	1.5
487.33865	1.6
488.20148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74077	5.2
57.03328	13.4
59.01252	71.6
61.98707	9.5
71.01255	28.5
76.08366	5.1
85.02823	100.0
93.03334	8.8
95.51744	5.8
96.95879	17.5
98.20543	14.5
101.02334	10.4
109.02831	7.4
111.03282	7.3
129.01849	5.8
147.02893	10.6
149.05972	6.0
151.03886	5.9
151.07579	7.5
161.04543	5.7
191.01942	31.2
191.05441	7.1
191.10632	6.2
263.12854	11.1
323.15146	12.1
467.15714	9.8
496.88690	7.0
507.54218	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	487.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03316	1.0
58.00480	0.4
59.01253	14.5
65.99721	2.8
66.14893	0.3
69.03339	0.5
69.61838	1.6
69.62269	0.7
71.01257	18.0
71.04880	0.3
72.99187	0.9
73.02397	0.5
73.02819	10.4
75.00747	0.4
83.01262	4.4
84.02065	0.4
85.02826	6.1
87.00761	1.3
87.04386	0.4
89.02320	4.9
93.03358	0.7
95.01260	1.2
95.04911	0.5
96.95878	0.6
97.02842	1.2
99.00758	24.1
101.02326	17.5
109.02885	0.3
112.01564	0.3
113.02330	7.4
113.03064	0.5
117.02075	0.3
119.04929	1.1
120.04466	0.4
121.02845	0.9
123.04441	1.1
124.01551	0.5
125.01557	0.3
125.02310	1.8
126.01052	0.7
131.03406	2.2
135.04425	5.8
136.05186	0.9
137.02359	1.2
139.03917	0.6
143.03401	2.9
146.02087	0.4
147.04427	0.3
150.01059	2.0
150.03075	0.5
151.00618	0.6
151.03915	1.1
151.07568	1.5
153.05489	1.1
159.02965	0.5
160.04030	0.5
161.04471	7.6
163.03922	50.3
164.04477	2.5
178.06273	52.0
179.06915	3.4
187.53535	0.3
189.09087	0.3
191.05569	4.6
192.08015	0.4
193.01675	100.0
193.08629	59.1
193.12271	0.5
194.01997	4.2
194.08983	2.4
196.66653	0.3
197.11803	0.3
203.05560	1.4
222.74898	0.3
262.67075	0.4
292.55212	0.4
293.08759	3.3
308.83722	0.3
323.11346	0.4
325.13586	0.4
355.07031	1.6
487.11136	9.2
487.18204	12.8
487.25458	1.4
488.11539	1.0
488.18506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88013	2.1
54.97395	2.3
59.01262	20.8
59.82433	2.3
68.58064	2.3
69.43467	19.7
71.01249	7.7
73.02827	2.7
85.02830	3.2
91.01778	5.0
93.03355	5.8
99.00751	8.0
101.02335	6.6
113.02328	5.8
119.01324	3.2
121.02831	8.6
129.73820	2.2
137.02332	6.8
151.03922	100.0
152.04358	4.5
196.03680	3.1
211.05963	2.4
212.73477	2.1
281.06549	2.7
401.14389	4.9
443.15506	3.6
445.13480	6.0
487.14771	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	487.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.7
58.00462	0.4
59.01253	7.2
66.80259	0.5
68.44082	0.4
69.37308	3.1
69.37711	0.9
71.01251	11.7
72.99183	0.7
73.02820	7.5
82.45409	0.4
83.01262	3.4
85.02815	3.4
87.00766	0.8
89.02306	3.6
93.76765	0.4
95.01283	0.9
98.19791	0.6
99.00757	20.1
101.02319	16.6
113.02333	4.5
119.04883	0.4
122.28773	0.5
125.02375	0.9
127.79278	0.4
131.03387	1.7
135.04417	10.0
143.03391	1.5
161.04471	4.6
163.03918	68.5
164.04327	3.1
177.05473	0.5
178.06270	73.2
179.06792	5.0
191.05537	4.7
193.08629	100.0
194.08955	5.7
203.05534	1.0
230.78912	0.4
293.08728	2.6
295.53076	0.4
451.09570	0.4
487.18100	17.2
488.18497	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	485.203
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
50.15295	0.8
55.01752	1.4
57.03329	6.4
58.00457	0.8
59.01251	33.2
60.01554	0.8
61.98701	1.8
67.01774	1.1
67.71029	0.8
69.40551	7.7
71.00843	0.9
71.01253	18.4
72.99175	3.1
73.02818	3.6
75.00735	1.6
83.01262	2.4
84.02019	1.2
85.02824	56.6
85.06487	0.8
86.03162	1.8
87.00735	2.0
89.02318	10.1
92.19140	0.9
93.03322	1.0
95.01229	1.6
96.95871	1.8
99.00760	1.5
101.02320	10.0
108.02044	1.8
109.02846	9.1
111.00750	1.9
113.02312	6.2
113.04678	0.8
118.58941	0.7
119.03408	2.2
121.02844	16.3
122.03652	15.2
123.04385	2.7
123.08028	1.4
125.02293	1.5
129.01875	4.1
133.02850	1.8
134.03658	5.6
135.04396	3.2
137.02336	3.4
147.02908	5.8
149.05963	4.1
150.06728	0.9
151.03929	2.0
159.03149	1.4
160.03955	10.1
161.04474	1.8
163.07553	1.8
173.04485	1.5
178.02637	1.2
179.03288	1.2
187.07457	0.9
191.01920	16.7
191.05519	1.4
191.10722	17.8
193.05006	0.9
196.03723	3.1
203.09064	1.0
203.10701	6.2
211.06030	1.0
213.51981	0.9
243.13985	1.5
261.14966	14.8
279.16046	8.8
280.16336	1.0
280.85074	0.9
305.14014	9.5
322.21436	1.8
323.14938	2.6
323.22110	1.0
421.88141	1.1
441.21310	3.5
485.20294	100.0
486.20688	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	485.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.2
57.03316	1.4
58.00440	1.1
59.01253	35.3
71.01256	29.0
72.99156	1.7
73.02814	7.3
83.01257	4.1
85.02830	14.3
87.00758	6.5
89.02318	17.3
93.03307	1.9
95.01258	2.7
96.95893	9.1
98.02336	1.9
98.20578	2.3
99.00749	1.7
101.02325	22.3
111.00744	1.7
113.02335	11.6
119.03403	6.9
129.01817	1.9
131.03384	5.4
145.07591	1.8
146.04735	1.3
147.02800	1.3
160.06367	8.8
161.02304	4.9
161.04482	7.8
161.07114	78.8
161.37379	1.6
162.07471	2.8
173.04355	1.3
175.08688	28.1
176.00981	2.5
176.08936	1.3
181.01547	1.3
187.08711	3.8
189.06628	100.0
190.06898	5.1
191.01910	1.4
191.03436	5.9
191.05502	20.9
201.10191	1.9
203.06497	1.9
203.08221	24.8
203.11844	3.4
206.54405	1.2
221.06567	6.2
229.09694	3.8
229.31892	1.7
249.11525	1.2
293.06601	3.2
305.11456	21.2
323.12473	4.4
467.16458	1.9
485.17786	89.1
486.18204	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	485.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71504	0.4
55.26544	0.4
57.03325	1.6
58.00476	0.6
59.01251	43.5
60.01579	0.5
61.98690	0.6
69.45061	3.5
71.01251	4.9
72.99199	0.7
73.02812	1.2
75.00734	0.5
78.24997	0.4
83.01276	1.0
83.04872	0.6
85.02827	11.7
87.00716	0.5
87.32112	0.4
89.02319	3.3
90.02663	0.4
90.78009	0.4
93.03336	1.2
95.01270	0.5
96.95897	2.3
97.02871	0.5
97.06470	0.4
99.00798	0.5
101.02334	4.4
107.04909	1.5
109.02835	1.3
109.06454	0.5
111.04385	1.0
113.02357	4.2
119.03394	1.5
119.08524	0.7
121.02911	0.6
121.06470	0.7
122.03607	0.6
123.04444	1.0
123.07999	0.5
125.02347	0.6
125.06016	1.8
126.06248	0.6
129.01842	0.7
134.03618	0.8
135.04433	1.3
136.05232	2.2
137.02342	0.7
137.09634	0.6
138.06775	0.5
139.07581	0.8
145.06528	0.5
145.07576	0.9
146.08046	0.6
147.02899	0.7
148.05138	0.6
149.05986	3.8
151.03925	0.8
151.07561	2.6
152.08362	1.9
153.05379	0.4
153.09084	0.6
159.11746	0.7
161.02301	0.5
161.04480	1.5
161.09628	0.7
163.07521	0.7
170.05740	0.5
171.08099	0.6
173.04520	0.7
179.05452	0.4
185.09612	0.9
186.10384	0.8
188.08221	2.2
189.05478	0.9
189.09009	1.8
191.01945	2.6
191.05528	1.5
191.10689	0.4
199.14832	0.5
201.12805	8.6
202.13095	0.7
203.10695	5.2
204.11497	20.9
205.11864	1.0
219.13861	19.9
220.14214	1.6
228.11530	0.8
230.09506	0.5
243.13828	1.0
245.11760	2.6
263.12878	100.0
264.13226	8.2
277.14304	0.6
287.12921	5.2
288.13150	0.5
305.13968	4.9
323.14957	2.1
383.13297	1.1
425.18176	0.6
443.15540	0.9
467.15439	0.9
485.20044	0.9
503.58899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90128	1.1
57.03303	1.7
58.02850	9.2
58.15971	1.1
59.01242	7.2
66.03368	1.4
66.58944	1.1
68.43861	1.1
69.31974	12.4
71.01270	2.2
72.99196	1.7
74.02341	16.4
82.02844	2.9
85.02813	9.4
86.02366	7.5
86.05979	2.6
87.04390	3.2
87.05515	3.8
93.03355	2.1
96.17797	1.1
96.95893	42.3
96.99815	3.0
97.03934	2.1
99.05516	14.9
101.07066	2.4
102.05499	3.1
108.02066	3.3
109.02844	9.5
109.03952	3.3
111.05508	2.2
112.03922	1.8
120.33494	1.2
121.02824	13.5
122.03635	22.9
123.04381	2.4
123.08073	2.4
125.03514	2.1
126.03722	19.3
127.05020	2.3
128.03432	36.0
133.02841	1.2
135.04457	3.0
135.05563	4.1
141.06580	2.2
143.04524	48.1
145.06131	2.5
146.04498	5.1
153.06604	3.4
163.07466	1.2
166.09776	3.2
167.04593	1.8
167.08170	3.7
173.04491	1.3
176.63110	1.4
179.04536	14.0
181.06216	1.7
185.05667	2.1
188.65749	1.2
191.01877	2.5
191.03453	1.5
191.05539	4.2
191.10703	28.5
192.07701	1.8
192.11050	1.3
197.05653	2.1
203.10704	5.3
210.08775	13.1
212.07451	3.5
221.11729	3.1
228.10074	1.6
254.07780	27.4
255.08110	1.6
261.14832	2.1
263.12933	1.9
272.08881	36.6
273.09131	2.5
279.16052	12.9
323.14999	100.0
324.15384	8.7
356.12900	6.4
362.97391	1.5
378.77029	1.2
438.38474	1.2
467.15955	10.1
485.17072	33.1
486.17728	5.1
511.75687	1.2
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
58.02847	12.2
59.01254	11.1
60.94064	1.1
61.11143	1.0
61.98702	1.8
62.34881	1.1
63.05280	1.1
66.03355	1.7
70.02856	1.5
70.72830	3.6
71.01252	4.4
72.00801	1.9
73.02817	2.5
74.02351	28.7
74.09422	1.1
81.04463	1.3
82.02875	3.4
84.04436	1.6
85.02816	2.6
86.02354	11.4
86.05988	2.3
86.98983	3.1
87.05528	6.7
89.02310	1.1
90.00073	3.6
90.44262	1.0
93.03368	2.2
97.03966	3.5
99.05528	24.4
100.05878	1.1
101.02312	2.4
101.07092	3.9
102.05482	3.1
107.06059	1.1
109.03967	5.5
109.07617	1.5
111.05540	2.5
112.03936	4.1
112.52506	1.1
113.02283	1.0
116.01641	1.3
120.01093	1.2
123.05553	1.7
123.08039	2.2
124.03918	3.1
125.03460	1.7
126.01919	1.2
127.05064	4.0
128.03430	70.1
129.03772	2.1
131.04517	1.2
135.05510	6.3
137.07118	1.7
141.06628	6.2
141.83035	1.0
143.04529	100.0
144.04874	3.4
145.06114	2.8
146.04486	9.9
149.07121	1.2
153.06609	5.0
156.66533	0.9
158.85844	1.0
160.00652	27.1
166.09750	3.8
167.04521	6.9
167.08194	4.0
169.52136	1.1
170.03281	2.3
171.07619	1.7
177.03313	11.9
179.04553	19.4
179.06052	1.3
180.04948	1.1
181.06088	2.1
185.05611	4.4
191.05641	1.6
192.07747	1.9
197.05649	4.4
198.08748	1.3
210.08771	18.9
211.09317	1.3
213.03378	1.4
242.07797	2.0
242.10463	1.0
254.07806	32.7
255.08096	2.6
272.08878	43.1
273.09106	1.8
288.06601	14.3
306.07642	96.3
307.07858	4.4
378.29141	1.0
397.34714	1.1
443.19360	2.7
466.10104	1.1
484.20984	2.2
485.20407	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	485.1301
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
52.09258	0.7
59.01239	1.4
69.59249	2.4
69.59678	1.6
71.01254	0.9
73.02831	0.6
85.02823	5.9
89.02327	1.0
96.95869	1.2
101.02337	0.7
104.02549	5.5
137.02295	0.9
148.01564	9.2
149.02287	0.7
160.03998	0.9
163.03668	0.6
173.04501	1.7
176.01067	83.1
177.01570	4.2
191.03429	100.0
191.05385	4.1
192.03816	4.6
195.98170	0.6
249.63103	0.5
293.57104	0.5
385.03052	0.6
485.13177	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	485.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
58.02853	6.0
59.01244	4.2
64.45080	0.9
66.03357	1.1
67.86469	0.8
69.87852	3.5
71.01242	1.7
74.02347	11.4
81.04485	1.0
82.02856	1.6
85.02835	8.7
86.02348	4.7
86.05985	1.4
87.04411	2.6
87.05545	1.7
89.02342	1.4
93.03356	0.9
96.04457	1.0
96.95897	26.8
96.99809	2.1
97.03939	1.9
98.19883	1.4
99.05517	9.9
101.07098	2.4
102.05499	2.1
108.02059	2.9
109.02847	8.6
109.03973	1.9
111.05559	1.5
112.03944	1.6
121.02862	11.2
122.03636	15.0
122.45473	0.9
123.04145	0.9
123.08086	1.1
125.03496	1.4
126.03722	15.1
127.05026	1.8
128.03435	32.3
133.97308	0.8
134.03630	1.3
135.04457	2.1
135.05553	5.0
141.06541	1.7
143.04529	39.1
145.06126	1.9
146.04475	4.0
147.02864	1.5
147.11726	1.6
153.06624	2.6
163.07623	1.4
166.09807	2.7
167.08189	2.6
173.04504	1.9
179.04565	17.0
183.78827	0.8
185.05609	1.9
191.01881	2.3
191.03540	1.1
191.05508	2.9
191.10719	25.0
192.07660	1.1
193.21384	0.8
197.05632	3.2
199.92680	0.8
203.10706	6.1
210.08804	11.7
211.09030	1.1
212.07500	4.2
215.50105	0.9
221.11821	2.4
228.09830	1.3
254.07806	25.5
255.08022	1.6
261.14905	2.2
263.12982	1.1
272.08887	34.8
273.09467	1.3
279.16006	12.9
280.16507	1.1
311.11267	1.0
323.15005	100.0
324.15335	9.2
356.13068	4.9
467.15894	9.5
485.17157	32.0
486.17834	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30241	0.3
57.03313	0.3
57.56845	0.3
59.01252	4.4
59.68085	0.3
59.89268	0.3
67.01746	0.8
67.90432	0.3
69.03338	0.4
71.01247	1.3
71.58436	0.4
71.58788	0.3
72.99146	0.5
73.02828	0.6
83.04894	0.9
85.02827	10.3
87.00751	1.8
93.03349	3.9
99.04404	0.6
109.02833	0.6
111.00769	1.9
111.04420	1.3
113.02319	0.5
120.15556	0.3
125.09597	0.9
127.03890	2.0
137.02261	0.4
165.01836	0.4
166.40216	0.3
171.10185	1.3
173.00905	0.3
173.04474	1.7
185.11726	0.7
188.45180	0.3
191.05545	100.0
192.05873	3.1
199.09671	0.7
200.10376	0.6
201.11226	0.5
204.07558	0.3
215.09218	0.5
217.10803	0.8
229.10895	0.4
241.19284	0.4
247.20648	0.4
284.75467	0.4
291.19653	1.3
293.04480	0.5
309.20718	30.1
310.21060	2.8
465.24796	1.0
483.16608	0.5
483.26172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92659	0.7
70.92999	0.3
74.02386	0.3
78.65916	0.3
78.95776	4.9
86.45661	0.3
96.24582	0.3
152.99495	13.5
171.00562	1.0
227.03159	2.4
245.04240	0.9
255.23271	100.0
256.23627	8.9
366.45633	0.4
393.17917	0.3
402.70016	0.3
483.27304	20.2
484.27573	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	484.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	12.1
59.01244	8.7
61.98682	1.8
62.40152	1.5
62.64376	1.2
68.77374	1.3
69.49022	2.6
69.49410	11.1
70.02857	1.7
71.01252	6.9
73.02830	4.1
74.02343	26.5
81.04458	1.8
82.02875	4.2
83.01241	1.5
85.02827	3.0
86.02351	10.9
86.05990	1.5
86.37833	1.2
86.99006	2.8
87.00764	1.2
87.05515	6.2
90.00074	3.5
97.03947	4.2
98.19817	3.0
99.00732	1.5
99.05525	27.5
99.06136	1.1
101.02322	4.4
101.07093	5.0
102.05481	2.7
107.06003	1.4
109.03977	3.2
109.07600	2.8
111.05537	2.4
112.03926	2.9
113.02321	4.1
120.01157	1.7
123.05546	1.7
123.08062	1.5
125.03418	2.5
127.05047	5.6
128.03433	72.2
129.03775	2.2
131.04547	2.0
134.85985	1.2
135.05582	7.3
137.07079	2.2
141.06609	6.9
143.04526	99.7
144.04919	1.3
145.06075	4.0
146.04472	9.2
149.09631	3.5
153.06673	6.2
153.82077	1.4
155.08163	1.4
160.00658	30.8
166.09792	3.2
167.04515	5.3
167.08177	2.6
170.00940	1.4
177.03305	8.6
179.04550	20.9
181.06151	3.3
185.05553	3.4
197.05565	4.1
198.08862	1.8
210.08783	17.4
228.09839	2.2
254.07828	35.1
255.08185	1.5
256.18008	1.6
272.08875	49.2
273.09225	2.1
288.06601	13.4
299.80136	1.4
306.07657	100.0
307.08002	4.0
351.90686	1.5
408.98206	1.3
443.19199	2.1
484.21289	3.3
485.20151	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93352	0.6
56.78001	0.6
59.01253	100.0
60.01599	0.9
69.96186	3.0
71.01261	3.2
72.99207	0.7
73.02835	0.6
73.93084	0.5
77.12981	0.5
80.96471	0.6
89.02336	1.1
95.71343	0.6
99.00764	0.7
101.02336	1.1
113.02355	0.9
115.00284	0.5
119.04936	1.2
121.02871	0.9
125.46624	0.5
135.02948	0.8
137.02444	0.5
142.99844	0.8
174.01659	1.6
219.10248	1.5
289.20230	0.5
309.20737	0.6
312.95834	0.7
395.28220	1.1
465.21140	0.7
483.25220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34276	0.2
57.03331	2.6
59.01258	1.6
61.31153	0.3
64.89893	0.3
67.01766	1.7
71.01233	0.7
71.58437	0.5
71.58799	0.3
83.90589	0.3
85.02821	1.8
87.00760	6.9
90.69577	0.3
91.66023	0.3
93.03363	0.4
111.00768	100.0
112.01117	2.8
125.09627	0.3
129.01823	1.0
130.99770	0.3
154.99823	0.7
171.10153	0.5
173.00842	6.2
199.13385	0.7
201.11044	0.3
202.56868	0.3
209.11824	1.4
247.09567	0.6
271.44531	0.3
291.19699	0.6
293.21527	0.5
296.87109	0.3
309.20688	1.4
310.21387	0.3
358.42993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02378	0.7
57.03328	1.9
59.01249	6.6
61.98710	4.7
67.01756	1.2
69.03339	1.3
71.01260	3.2
71.59043	1.3
71.84995	0.8
72.97414	0.7
73.02810	1.2
79.42057	0.8
81.03321	1.7
83.01243	3.9
84.52838	0.7
85.02831	2.7
89.02321	1.4
91.01754	1.0
93.03324	3.3
95.01259	1.4
95.04911	2.9
96.95900	1.9
97.02832	5.1
99.00761	1.3
99.04401	1.2
101.02326	1.2
108.02062	2.5
109.02843	33.7
110.03182	1.2
111.04365	0.7
113.02328	2.0
119.04910	1.1
119.68691	0.7
121.02872	3.5
123.00813	0.8
123.04422	13.6
125.02341	17.5
129.01825	1.3
133.02808	1.6
134.03696	0.8
135.04404	2.2
137.02339	9.3
139.03893	3.5
145.02815	0.7
145.91542	0.9
146.03622	1.6
147.04465	2.5
149.02347	5.2
150.03043	0.9
151.03925	10.8
152.01022	1.2
159.04399	2.3
161.02370	3.4
161.05972	6.2
162.03197	1.6
163.03873	1.8
164.01079	2.9
165.01894	4.0
166.02390	0.7
167.03418	2.4
173.04494	0.9
175.03906	1.9
175.07555	1.9
177.01866	8.3
177.05455	1.0
179.03401	6.5
185.05969	1.2
185.40535	0.7
187.03893	4.7
188.04700	4.2
189.01871	11.2
190.02589	3.3
191.03435	2.1
191.05498	2.5
193.04974	8.5
196.03572	0.7
199.07645	1.0
202.06308	1.1
203.03510	1.0
203.07076	12.9
205.05000	8.9
216.00537	3.4
217.01311	4.7
217.08601	1.1
218.02055	1.4
219.02963	1.8
221.04521	4.1
221.08101	2.0
227.07082	2.6
231.02887	2.1
245.08183	16.0
245.10658	0.9
247.06078	2.1
255.06575	1.2
257.04425	1.2
265.04807	0.9
271.06180	1.2
281.04553	2.7
289.07187	100.0
290.07556	8.6
297.07709	1.7
331.08255	2.6
341.06680	23.8
342.06870	2.5
373.09283	7.0
422.16916	1.7
451.10251	1.8
466.16110	2.6
483.18774	2.8
484.17282	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	483.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72772	0.5
54.13619	0.5
57.03323	2.3
59.01253	5.3
61.98701	0.6
65.03859	0.5
65.72977	0.5
66.73991	0.5
67.01737	0.6
69.03317	0.8
69.36489	4.0
69.36919	1.8
71.01251	1.9
73.02821	1.5
81.03318	2.6
83.01262	3.2
85.02823	1.9
88.05293	0.5
89.02329	1.1
91.01777	0.6
93.03339	2.2
93.17545	0.5
93.18175	0.5
95.01248	0.7
95.04926	2.8
96.95894	3.2
97.02839	5.5
99.20375	0.5
101.02332	1.1
105.03345	0.8
108.02073	1.8
109.02838	35.7
110.03178	1.3
112.02068	0.6
113.02334	0.7
119.04922	0.6
121.02854	3.6
122.03671	1.2
123.04411	17.1
124.04700	0.8
125.02338	15.6
126.02662	0.8
133.02791	2.7
133.06496	0.6
134.03586	0.6
135.04411	2.2
137.02367	9.5
138.03108	0.9
139.03918	4.0
145.02864	1.2
146.03639	1.5
147.04398	1.6
149.02342	6.0
150.03168	1.2
151.03911	10.1
156.22215	0.5
159.04404	3.8
160.05305	1.1
161.02356	3.3
161.04716	0.7
161.05997	5.6
162.03123	2.2
163.03893	1.4
164.01083	3.0
165.01825	4.1
166.02600	0.6
167.03394	2.0
173.05991	1.5
174.03154	1.1
175.03929	2.3
175.07509	2.5
177.01878	8.4
177.05435	1.0
177.41342	0.5
178.11783	0.6
179.03429	6.0
185.06097	1.4
187.03967	4.6
188.04724	4.6
189.01854	9.4
190.02583	2.4
191.03452	2.7
191.05479	1.4
193.04993	8.0
199.07538	0.8
201.05498	1.1
202.06235	2.3
203.03574	0.7
203.07066	13.0
204.07391	1.0
205.04990	9.3
206.72159	0.5
212.04688	1.1
216.00580	1.7
217.01369	4.3
217.05014	1.3
219.02910	2.0
221.04500	1.3
221.08046	2.8
227.07140	2.1
229.05190	0.9
231.02921	2.0
233.04396	0.5
243.03018	0.6
245.05768	1.1
245.08186	14.5
246.08524	1.0
247.06116	2.4
254.05820	0.6
255.06506	1.1
256.85205	0.6
257.04572	0.6
271.06119	1.2
281.04565	1.9
289.07181	100.0
290.07501	6.2
297.07648	1.9
341.06680	23.8
342.07037	1.9
372.13885	0.7
373.09320	5.8
374.09573	0.8
425.66351	0.6
451.10181	1.6
483.12732	1.1
500.13132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52138	0.6
51.92179	0.7
56.66545	0.7
62.18040	0.6
64.40330	0.7
66.70509	0.7
70.70342	2.3
78.95309	1.4
78.95776	29.4
79.95599	0.8
80.96431	0.7
96.96850	1.9
117.70376	0.8
119.15089	0.7
152.99495	43.0
171.00566	13.1
187.09673	0.7
203.34442	0.7
227.03278	3.7
245.04294	100.0
246.04683	2.2
253.21710	63.9
254.22032	4.3
256.23660	1.0
325.70560	0.6
354.86124	0.8
406.96634	0.8
467.27930	0.7
481.25677	36.1
482.26022	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	483.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.3
59.01254	5.9
61.22990	0.8
66.15498	0.8
67.01747	1.5
71.01263	1.9
71.58156	1.2
73.02818	1.1
74.62901	0.7
75.00729	1.1
81.03333	2.5
83.01239	4.3
85.02824	4.2
85.71040	0.8
86.27391	0.7
89.02323	1.7
93.03326	4.4
95.01243	1.6
95.04897	3.4
96.95896	6.3
97.02830	6.0
99.00739	0.9
101.02320	2.1
108.02076	2.2
109.02833	38.4
110.03172	1.0
111.00779	0.9
113.02303	1.3
116.90546	0.7
121.02839	5.4
122.03667	1.2
123.00847	0.9
123.04416	17.6
125.02334	19.0
133.02856	3.4
134.03575	0.9
135.04408	3.9
136.43460	0.8
137.02351	11.4
139.00259	0.9
139.03900	5.6
141.01804	1.2
145.02811	1.0
146.03616	1.7
147.04390	2.5
149.02347	7.3
150.03146	1.4
151.03920	9.9
153.01822	1.3
156.27722	0.9
159.04424	3.4
160.05223	2.2
161.02441	3.7
161.05992	6.7
162.03120	2.1
163.03886	1.3
164.01053	3.3
165.01857	3.1
166.02547	1.1
167.03407	3.5
173.02341	1.0
173.04588	1.6
173.05998	1.6
175.03906	2.5
175.07491	1.7
177.01834	9.2
177.05473	1.5
179.03406	7.3
183.04105	0.8
183.33318	0.8
185.02267	0.7
185.06021	1.7
187.03902	6.0
188.04704	5.3
188.08145	0.8
189.01869	11.6
190.02545	1.8
191.03432	2.6
191.05559	11.7
192.05870	3.7
193.01373	1.0
193.04778	8.3
199.07683	0.8
201.05562	1.3
202.06264	3.1
203.03421	1.8
203.07068	15.9
205.05002	9.6
211.04024	1.1
212.04710	1.2
216.00552	1.9
217.01381	5.8
219.02948	2.9
221.04607	1.6
221.08131	2.5
227.07097	2.8
231.02988	2.1
245.08168	15.2
246.08527	1.6
247.06105	2.6
255.06683	0.9
265.26843	0.9
281.04459	2.2
289.07181	100.0
290.07593	6.1
297.07648	1.3
331.08246	1.0
341.06647	26.2
342.06903	1.3
373.09409	5.5
405.06561	0.8
451.10004	1.7
451.15628	0.9
483.12515	1.3
483.19083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69790	0.6
59.01252	5.9
61.98705	0.9
69.64750	4.3
71.01241	5.2
72.99181	2.0
73.02834	1.1
74.02345	0.7
75.00748	100.0
76.01112	0.8
78.57756	0.6
81.03345	1.0
85.02857	2.2
89.02337	3.5
93.03349	0.6
97.55402	0.8
99.00752	2.0
101.02335	3.0
107.47327	0.8
113.02347	2.4
119.03397	2.1
119.04910	0.8
123.04408	1.5
125.02348	1.0
132.13153	0.8
137.02356	6.0
139.03990	0.7
143.03477	0.7
149.04472	1.5
151.03912	2.3
153.01877	1.3
179.05507	1.5
191.05595	3.9
260.06848	1.8
275.09302	1.6
285.74118	0.8
319.08087	2.0
350.41000	0.8
481.13675	4.9
481.22797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30441	0.8
51.91375	0.7
52.28760	0.7
53.26734	0.7
55.01756	2.8
57.03319	2.6
58.00508	0.8
59.01254	100.0
60.01580	1.0
71.01254	30.5
71.59412	1.5
72.99193	1.3
73.02818	10.3
83.01245	6.0
85.02826	17.5
87.00763	1.1
89.02325	2.0
91.06535	0.7
95.01273	2.0
96.63945	0.8
96.95887	0.9
97.02833	1.3
99.00745	5.0
101.02330	18.4
113.02330	12.1
125.02370	1.4
139.87584	0.8
143.03403	2.7
150.06801	2.3
159.02943	2.6
161.04475	15.0
163.07562	1.1
244.29108	0.8
319.19104	2.4
386.39996	0.9
395.24399	18.0
396.24789	1.9
421.22400	1.7
439.23331	2.8
481.24420	18.1
481.31137	2.2
482.24902	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08852	1.5
53.74391	1.1
56.29868	0.9
60.59052	1.0
65.01714	1.1
66.29868	1.0
70.10030	1.1
71.35434	2.1
71.54017	1.1
78.95779	41.3
79.95613	0.9
84.13132	1.0
96.96845	3.8
97.65604	1.0
152.99492	61.3
171.00560	18.3
172.00821	1.4
227.03181	3.0
245.04288	100.0
246.04649	2.6
253.21706	60.2
254.22008	4.9
281.73856	1.0
301.79041	1.1
360.33542	1.1
380.33600	1.2
389.10956	1.1
481.25711	31.2
482.26215	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70070	2.3
57.03320	11.7
59.01253	69.9
59.87079	3.3
60.01566	2.8
60.17011	2.1
71.01256	38.8
72.99192	9.1
73.02824	14.3
75.00756	22.2
81.03314	2.5
83.01262	7.7
85.02824	72.7
87.00748	8.7
89.02325	15.2
91.00253	6.2
93.03336	6.2
95.01283	4.2
95.04916	2.5
96.95827	4.8
97.59396	2.2
99.00745	12.4
101.02325	23.4
109.02823	3.6
111.00763	15.7
113.02333	16.1
119.03367	7.5
123.04436	4.9
125.02339	5.6
127.03908	3.9
129.01846	26.1
135.04385	3.6
137.02315	4.4
141.01840	3.0
151.03897	4.8
152.01025	2.7
153.01711	2.4
159.02934	2.7
159.04454	2.5
161.04453	9.7
161.09636	3.5
163.03841	2.9
173.04457	6.4
179.10652	4.0
180.74301	2.3
187.07567	12.8
191.05554	100.0
192.05898	4.8
201.11272	3.7
202.06273	3.5
205.03494	19.8
207.16243	2.2
209.11729	4.6
213.09195	4.2
221.10010	9.2
223.04558	10.3
227.03517	2.9
229.04863	3.0
231.10182	3.1
275.09302	4.4
289.10870	4.6
301.05737	11.0
307.11456	2.8
347.16946	2.6
439.21674	5.0
481.11508	3.1
481.26990	29.1
482.18695	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.0
57.03372	3.4
58.00488	0.5
59.00838	1.8
59.01253	51.0
67.01816	1.8
68.99738	0.6
69.03376	1.8
69.44492	3.6
71.01255	17.8
72.72063	0.5
72.99241	1.7
73.02819	9.2
75.00797	1.8
81.03373	0.8
83.01247	4.4
83.04954	1.3
85.02354	1.0
85.02825	28.3
86.03202	0.8
87.00762	4.8
89.02314	4.2
93.03333	10.6
95.01323	1.8
96.95901	1.1
99.00764	5.5
99.04465	0.6
101.02326	13.4
104.86283	0.4
109.02853	2.9
111.00760	4.4
111.04405	2.9
113.02327	7.4
113.03043	0.5
114.34418	0.5
119.03465	0.5
121.02851	0.6
123.00812	0.5
123.04446	0.9
125.02374	1.7
127.03906	2.2
129.01831	5.0
131.03442	0.7
135.04457	0.8
137.02406	1.3
143.03445	1.7
145.12183	0.7
151.03900	0.6
152.01173	0.5
152.03450	2.9
153.01845	0.5
155.03424	1.4
158.03661	0.8
159.02882	1.4
159.04431	1.5
160.03990	0.5
161.04475	3.9
165.12842	0.6
171.02983	0.5
172.05217	0.9
173.03038	0.3
173.04482	9.4
173.05975	1.3
187.03943	2.6
187.07590	9.7
191.05542	100.0
192.05928	4.2
193.75220	0.5
201.05504	1.2
201.08922	0.5
202.06290	7.0
203.06938	0.8
205.03438	3.5
213.09186	2.7
215.07069	1.8
223.02501	0.8
223.04527	8.2
224.04866	0.5
227.12862	1.6
229.08064	0.5
231.10225	10.5
232.10577	0.9
241.14438	0.6
245.11636	0.9
245.13924	0.8
247.09706	0.7
257.08212	3.6
263.12854	1.3
275.09283	5.6
287.59161	0.5
289.07126	1.2
289.10745	2.0
289.16412	1.7
299.46692	0.4
307.11792	1.8
307.17633	14.3
308.17828	0.8
349.14789	0.5
349.18536	3.5
350.18912	0.5
391.14661	0.5
421.20178	1.7
439.21823	20.5
440.21768	1.9
449.14505	4.4
481.16818	1.4
481.22440	21.3
482.23294	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02898	0.5
57.03323	2.2
59.01257	3.3
60.99174	4.6
65.03854	0.6
67.01762	16.5
69.03327	5.1
71.01251	6.2
73.02824	0.9
81.03322	3.5
83.04893	2.6
85.02818	3.3
87.00751	19.7
93.03336	100.0
94.03672	3.1
97.06478	1.5
99.00752	2.6
99.04398	1.3
101.02328	1.1
109.02810	1.4
111.00729	1.2
111.04401	13.8
113.02344	2.1
115.03870	0.6
125.02303	0.7
129.01814	3.1
133.02821	1.5
134.03635	23.5
135.04353	2.1
137.02338	2.2
143.03438	1.1
152.85342	0.5
155.03384	2.9
173.04472	70.4
174.04796	2.0
177.01860	1.2
178.02655	4.7
191.05482	1.4
205.03513	0.8
231.10274	1.1
275.09219	1.6
307.11844	4.6
449.14511	8.1
450.14780	0.9
481.17114	29.1
482.17612	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52454	0.5
55.01754	0.9
57.03324	5.8
59.01250	7.9
61.98699	0.8
63.15048	0.6
63.49138	0.6
64.89871	0.5
67.01779	0.6
69.03334	0.7
69.39192	4.5
70.94475	0.5
71.01258	4.7
72.99165	0.7
73.02824	1.9
73.56477	0.6
75.00738	1.4
81.03337	1.1
81.81892	0.5
83.01229	3.1
83.04887	1.4
84.02058	0.9
85.02821	23.1
87.00775	1.0
89.02323	1.6
89.89988	0.5
90.02757	0.5
93.03335	4.5
95.04902	0.9
96.95899	5.8
97.02861	0.9
97.06477	6.8
98.20569	0.9
99.00745	0.8
99.39959	0.6
100.00311	0.9
101.02341	2.5
101.06010	0.5
103.98573	0.5
105.03352	1.2
108.02093	0.6
109.02853	2.3
111.00748	4.2
111.04390	3.2
113.02344	1.0
119.03358	0.7
123.04411	3.1
125.02344	11.2
129.01830	8.7
133.02838	5.5
134.03636	100.0
135.04485	9.3
135.08128	0.7
137.02357	3.0
139.03871	0.6
141.83632	0.6
148.82382	0.6
149.02348	1.0
151.03926	5.4
155.03409	4.0
157.06570	1.2
161.02344	2.3
161.04475	1.0
161.05969	1.1
162.03143	0.8
165.01840	0.7
169.12358	0.6
172.11900	0.5
173.04475	8.2
173.05864	1.0
175.03937	1.2
177.01819	7.2
178.02644	18.1
179.03320	2.6
179.07068	0.9
185.11745	1.4
187.03900	0.8
187.07599	0.6
188.04538	0.6
189.01848	0.7
191.03734	1.0
191.05547	15.9
203.07091	1.1
205.03471	3.9
213.05356	0.6
219.06593	0.6
223.04498	1.9
223.09740	1.4
225.05717	0.8
227.03474	0.9
229.04988	0.6
231.10262	3.6
243.02954	1.7
245.08151	1.0
255.02968	2.5
256.03644	1.3
257.08359	0.6
257.16611	0.8
269.04352	0.7
275.09225	6.9
281.04584	1.4
287.05634	0.7
289.07178	4.0
289.10544	1.0
301.15543	0.7
307.11868	85.8
308.12186	6.5
341.06531	0.8
407.07767	8.7
408.08017	1.0
449.08725	1.2
481.22348	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
58.92625	0.4
59.01251	4.5
59.20163	0.3
60.99192	0.3
67.01771	1.0
70.31374	1.2
71.01254	2.4
73.02817	0.9
75.00739	0.7
81.03294	0.5
85.02824	10.4
87.00741	2.6
89.02321	1.0
93.03334	5.9
96.95868	0.5
99.04410	0.6
101.02310	0.6
109.02829	2.4
111.00748	0.6
111.04413	1.3
113.02294	0.4
116.51087	0.4
120.67008	0.4
125.02326	0.8
127.03893	2.6
129.01836	0.4
130.17612	0.4
135.04456	0.7
137.02354	1.1
149.04591	0.5
171.02994	0.8
172.05252	0.7
173.04482	7.2
173.05966	0.4
177.01883	1.0
187.03983	0.9
187.07585	3.5
191.05537	100.0
192.05856	2.6
201.05463	0.5
202.06287	3.1
205.03386	0.5
209.02913	0.4
213.09201	1.7
215.07065	0.6
223.04506	0.8
231.10245	4.9
240.04602	0.4
245.11888	0.5
248.53139	0.4
257.08051	0.8
263.12851	0.5
275.09195	2.2
289.10812	0.9
307.11844	0.8
313.98627	0.4
391.15024	0.6
428.06076	0.4
439.22269	0.5
449.08536	0.5
449.14563	6.6
450.14636	1.1
481.22583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06932	0.5
52.95154	0.6
57.03330	3.5
58.20052	0.5
59.01245	4.0
60.98916	0.7
60.99176	5.9
67.01761	14.7
67.23454	0.5
69.03326	3.3
69.37614	2.5
69.38052	3.2
71.01252	7.6
73.02820	1.2
81.03323	2.6
83.01236	0.8
83.04887	2.3
85.02820	7.2
87.00756	21.7
89.02323	1.6
93.03336	100.0
94.03664	2.4
95.01264	0.6
96.95878	0.7
97.02830	0.6
99.00758	3.2
99.04394	2.5
101.02323	1.9
101.94051	0.6
107.81892	0.6
109.02853	1.4
111.00764	1.9
111.03638	0.8
111.04400	14.7
113.02327	2.6
115.03866	1.1
129.01828	4.7
133.02831	1.9
134.03648	9.8
135.04419	2.8
137.02367	2.1
139.03917	1.1
143.03381	1.1
143.10692	9.4
144.11012	1.5
145.06506	2.0
151.03905	0.8
153.01834	0.6
155.03383	3.6
162.03123	0.7
162.76427	0.5
173.04472	59.6
174.04839	2.5
174.33485	0.5
177.01785	1.4
178.02628	8.6
179.03365	0.9
179.44974	0.6
191.05563	2.3
223.04784	0.6
275.09283	1.8
308.08600	0.7
351.07590	0.9
352.07990	1.4
449.14526	43.4
450.14929	4.2
481.17068	18.1
482.17538	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	479.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53297	0.4
59.01252	100.0
60.01594	0.9
60.29676	0.5
60.40971	0.7
71.01255	12.3
71.62051	0.4
72.99217	0.6
73.02815	6.0
73.03123	0.4
78.95780	0.7
83.01264	1.9
85.02813	3.2
87.00758	0.5
87.04399	1.4
89.02321	5.5
95.01288	0.9
97.02818	0.6
98.19828	1.1
98.33050	0.5
99.00748	0.9
101.02322	8.9
113.02329	5.5
119.03385	2.5
131.03354	0.7
143.03445	1.0
157.67416	0.5
161.04529	1.9
171.10167	0.8
179.05560	1.0
199.13516	0.5
201.11308	1.2
215.12941	0.6
225.11311	1.7
253.09352	0.6
305.19836	1.0
317.17633	0.6
419.24127	0.9
436.75186	0.5
437.24490	2.1
438.24448	0.6
479.20538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	1.4
59.01246	5.4
71.01258	3.0
81.03341	1.8
83.00441	1.3
83.04891	1.7
95.27023	1.2
95.85448	1.3
109.06482	4.3
119.56035	1.3
125.09560	1.9
135.07982	2.1
170.88182	1.5
207.10223	1.5
209.11852	1.7
211.13354	11.2
213.14943	3.4
231.17603	2.2
239.16518	3.5
241.18074	2.8
241.44475	1.2
265.18112	1.8
275.16583	1.7
289.18069	1.5
315.26831	5.7
317.28503	1.8
325.25427	7.0
333.28131	1.9
341.24869	3.5
343.26376	8.2
351.23138	2.0
359.25937	7.2
361.27475	5.4
369.24298	12.5
387.25394	37.1
388.25729	5.2
405.26471	100.0
406.26804	13.1
479.30145	61.7
480.30460	11.3
501.07837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.9
59.01250	8.1
71.01253	3.3
71.57618	1.1
73.02834	1.6
78.95770	12.3
96.95887	2.0
99.08007	2.2
101.02310	1.2
109.06519	1.6
110.98423	8.7
113.09608	2.6
123.08010	1.1
125.09623	1.1
129.09111	3.9
139.11214	1.3
149.33507	0.8
151.11238	1.1
152.99506	1.0
153.09064	0.9
155.07085	0.8
163.11209	1.8
167.01091	4.3
169.12221	3.1
171.10129	4.3
181.12273	4.4
183.13846	2.8
185.02180	7.2
185.11687	1.3
193.12297	1.8
197.11749	14.0
199.13332	8.1
201.11258	4.8
207.10223	3.4
211.13330	16.4
212.13554	1.0
225.11275	6.8
243.12302	2.1
253.09282	2.5
275.20044	1.1
293.21213	13.8
311.22266	100.0
312.22665	9.1
479.24283	22.3
480.24344	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07429	0.3
59.01253	100.0
59.60441	0.3
60.01596	0.8
71.01264	0.8
77.78577	0.3
87.04392	5.1
98.19860	1.0
98.20550	0.9
99.40069	0.3
101.02335	0.6
152.72986	0.3
162.89845	0.3
170.77206	0.3
192.17343	0.4
207.10245	0.5
210.37166	0.3
213.47830	0.3
229.61969	0.5
278.20792	0.4
329.19739	0.6
371.14334	0.3
377.22040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46029	0.3
55.01758	0.6
59.01254	100.0
60.01587	0.7
66.27047	0.3
70.57957	0.4
71.01253	5.0
71.07690	0.5
71.08014	0.6
72.99184	0.5
73.02833	4.0
83.01267	1.2
85.02832	2.8
87.04392	3.5
89.02325	0.7
95.01267	0.6
97.02837	0.5
99.00749	2.0
99.53335	0.3
101.02335	5.1
113.02334	2.3
125.02324	0.4
161.04530	1.2
201.11270	0.4
225.11324	0.6
253.09389	0.4
272.41998	0.3
274.67065	0.4
305.19696	5.2
306.20230	0.5
325.21048	0.3
437.23880	6.9
438.24374	0.9
479.25171	7.0
480.25562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.7
57.03313	1.5
58.00468	1.0
58.89512	0.5
59.01250	34.9
60.01590	0.5
61.01654	0.7
63.17368	0.5
67.63976	0.6
69.03338	0.6
69.32288	5.1
71.01253	15.5
72.99177	1.4
73.02821	3.5
75.00746	6.3
82.23145	0.6
82.39297	0.5
83.01264	2.6
83.03090	0.5
83.47760	0.5
85.02823	7.7
87.00766	1.8
89.02321	6.3
93.03326	1.3
95.01282	1.6
96.95908	1.3
97.06525	0.7
98.19834	1.3
99.00768	2.0
99.08038	0.7
101.02321	10.7
101.02985	0.8
109.02821	1.0
111.00742	0.8
113.02328	5.7
113.09633	0.9
119.03380	1.4
123.00758	0.7
125.02336	2.1
126.38467	0.7
135.04439	1.4
137.02347	2.0
143.03482	0.6
149.06027	1.4
151.03979	1.0
158.06084	1.0
161.04442	0.6
178.98030	1.0
179.03320	0.6
191.05563	2.5
199.13356	1.1
202.04962	0.7
206.97554	0.6
213.03583	0.6
237.18694	1.4
239.16489	5.8
255.19637	9.3
256.19992	1.2
257.17560	32.9
258.17896	2.2
299.18661	1.0
305.15967	0.8
316.00449	2.6
317.01120	0.7
317.19415	0.9
382.11292	0.8
394.49289	0.7
401.21960	1.4
417.24850	5.9
419.22812	30.2
420.23416	2.4
437.20291	0.7
443.22910	0.6
461.23776	6.2
479.06573	2.2
479.25058	100.0
479.31970	6.1
480.25351	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	479.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.4
58.00467	0.6
59.01250	17.2
69.03321	0.6
70.86438	0.2
70.88487	0.3
70.88814	0.6
71.01251	10.7
72.99178	0.7
73.02821	8.7
75.00755	0.6
78.95776	7.5
81.03303	0.3
83.01265	1.1
85.02818	1.6
87.00758	0.3
89.02319	12.1
90.02707	0.3
95.95719	0.2
96.95876	0.3
96.96847	0.6
97.02821	0.8
99.00755	13.0
99.04417	0.3
101.02316	5.3
113.02333	2.5
114.24169	0.3
119.03378	0.4
125.02344	1.4
131.03403	2.8
135.04417	0.3
138.52501	0.3
143.03423	0.8
143.10680	100.0
144.11014	3.9
149.04466	5.0
150.04805	0.3
152.99493	3.0
155.03447	1.3
157.12250	3.7
161.04463	0.9
169.12242	0.3
171.00589	2.0
173.04439	0.3
184.47031	0.3
185.04477	0.3
185.05974	1.5
185.11758	6.1
185.13425	0.3
191.05537	3.2
203.05540	2.6
211.13409	0.6
215.12802	1.8
227.12851	4.8
228.13162	0.3
233.06662	0.5
379.85519	0.3
479.20255	3.2
479.31766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2286
Annotation	CHEBI:67676
Peak:m/z	Relative Intensity
52.02288	2.0
55.01734	1.9
58.00464	2.3
59.01254	100.0
62.89468	2.0
64.32576	2.1
69.03310	2.3
71.01255	58.6
72.99168	3.1
73.02820	58.6
78.95796	5.6
81.03343	4.3
83.01278	17.7
85.02817	10.3
87.00727	4.2
88.31957	1.9
89.02317	15.9
89.17076	2.0
95.01273	3.8
97.02819	9.9
99.00773	3.8
101.01691	3.7
101.02323	47.5
101.03384	2.3
107.04906	3.1
109.06516	2.6
110.98399	3.6
113.02342	15.2
119.03360	5.7
121.02853	2.9
122.03636	4.0
123.04380	2.2
125.02287	2.6
131.03409	2.3
135.04413	4.5
137.02309	6.4
143.03450	2.0
148.07584	3.7
151.03918	2.3
157.12366	1.8
161.02327	8.7
161.04478	7.5
163.03886	6.0
163.11203	4.6
171.10168	10.3
181.12172	3.8
185.02084	3.2
185.11789	2.1
188.08406	3.4
189.09157	2.4
197.11742	3.9
199.13307	3.2
201.11235	8.1
203.07091	4.6
207.10210	7.5
211.13338	4.4
220.07358	7.5
225.11282	12.6
229.15942	4.8
253.09142	2.9
257.12753	4.6
257.15457	83.7
258.15826	5.1
259.17020	25.7
273.14877	2.3
275.16547	42.2
276.16904	2.6
293.21246	6.6
299.16364	4.1
304.48776	2.4
311.22275	39.8
312.22650	3.0
329.17139	2.4
359.18652	2.7
401.19580	3.0
419.20755	43.6
420.21298	3.7
437.21820	68.3
438.22369	11.0
461.20541	2.6
479.22882	81.5
480.23413	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	3.9
58.00461	1.4
58.03638	1.3
59.01250	50.3
69.03317	1.6
69.48112	11.1
71.01254	19.7
72.99164	3.6
73.02818	6.8
74.02319	2.6
75.00719	5.4
82.99989	1.3
83.01235	4.1
85.02817	11.7
85.56487	1.2
87.00729	3.3
89.02315	15.3
91.61005	1.4
93.03284	2.2
95.01245	1.8
96.95863	4.9
97.02821	3.7
99.00751	10.1
99.66070	1.3
101.01819	1.3
101.02322	15.2
107.01273	2.5
109.02796	3.5
109.06453	1.5
111.00750	3.2
113.02357	8.9
119.03378	2.7
123.03273	1.4
123.07965	1.5
125.02345	6.8
125.09581	3.1
127.11132	2.7
129.01825	1.9
137.02295	2.9
149.05911	3.2
151.00183	5.2
151.03793	1.7
152.01007	3.8
155.03487	1.4
155.10735	1.7
155.19975	1.3
161.02286	1.8
161.04352	3.9
163.11160	3.4
171.10066	1.9
173.04453	1.9
177.01776	1.8
178.99719	4.2
179.03351	1.5
181.12250	15.8
191.05464	7.9
197.11714	3.3
199.09595	3.2
199.13330	44.9
200.13637	3.3
205.03368	1.8
207.10181	15.8
209.73643	1.3
210.97725	1.4
221.06763	1.6
225.11292	40.8
226.11472	3.7
227.03375	2.6
243.12367	14.1
244.12782	1.4
253.09286	3.1
255.11348	10.7
256.03665	3.8
281.09097	2.6
284.03207	23.5
299.05627	29.6
300.05783	2.5
317.15845	1.5
317.19583	1.7
319.87103	1.5
347.17047	3.3
347.21219	1.3
347.48871	1.5
349.36993	1.5
435.29163	2.9
437.20071	3.1
461.19925	5.7
462.19922	1.8
479.12210	10.3
479.21002	100.0
480.21298	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	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44365	0.7
54.55290	0.7
55.01765	1.0
57.03313	1.5
57.33630	0.7
59.01252	100.0
60.01568	1.4
69.03343	1.3
71.01257	37.1
72.99196	5.9
73.02822	17.0
75.00735	4.3
81.03383	0.9
83.01262	3.8
85.02827	16.5
87.00768	4.2
88.00289	1.3
89.02319	28.7
90.01833	1.6
91.00249	1.6
93.03347	1.3
95.01272	2.5
96.95890	1.6
97.02838	1.2
99.00751	23.2
101.02319	22.6
101.02988	1.0
111.00768	2.3
113.02341	16.4
119.03383	7.0
125.02360	3.1
125.89597	0.9
129.01852	2.0
131.03374	2.8
135.04410	0.9
137.02345	1.4
139.03914	1.2
143.03429	2.7
143.10631	1.3
149.04448	6.6
159.02928	2.1
161.04451	6.9
171.10170	2.0
173.04480	1.0
179.05553	2.4
183.10263	0.8
185.05983	1.9
191.05524	12.5
192.05983	1.1
201.11360	2.0
203.05510	3.2
205.03542	0.9
207.10263	0.9
215.12906	0.8
225.11337	2.1
233.06741	1.3
253.09277	1.3
275.81915	0.7
287.14975	1.9
299.18405	1.0
305.16071	11.7
316.02222	1.2
347.17062	5.1
389.13525	2.1
419.19009	1.2
437.20288	30.7
438.20685	3.8
479.20755	29.8
480.21686	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.5
57.03305	2.7
59.00998	1.4
59.01255	20.7
61.81898	1.1
68.61113	1.0
69.03342	1.2
69.25935	11.5
71.01257	13.2
71.04875	1.5
71.40481	0.9
72.99171	1.7
73.02804	4.3
75.00736	1.4
83.01253	1.7
85.02809	5.5
87.00746	2.2
89.02332	8.9
93.03333	1.0
95.01252	1.5
96.95905	2.5
97.02815	4.1
97.06460	1.3
99.00751	15.2
99.37564	1.2
101.02321	10.8
102.08914	1.0
109.06492	1.8
113.02343	4.9
119.03367	1.5
123.08081	1.1
125.02274	1.3
125.09612	5.5
127.11158	1.7
137.02289	1.1
153.12775	1.1
161.04419	4.1
163.11209	5.8
178.99747	1.1
179.10664	1.4
181.12248	13.6
191.05475	3.8
197.11714	1.1
199.13347	27.1
207.10214	29.9
208.10530	1.5
225.11276	57.7
226.11559	2.8
243.02689	1.2
243.12341	16.9
244.12912	1.1
253.09256	6.2
270.06314	1.1
299.02014	1.3
299.05432	1.9
317.15945	1.7
461.20245	14.0
462.20685	1.6
479.21219	100.0
480.21634	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43353	2.1
55.01776	2.5
57.03322	3.5
58.00462	5.8
59.01248	35.7
69.03332	2.7
70.35243	9.6
71.01254	38.4
71.04890	3.2
73.02824	13.4
83.01268	3.4
83.04906	2.5
85.02827	7.2
87.00720	4.5
89.02335	10.8
91.03931	2.6
92.72041	3.2
95.04906	3.6
96.75396	2.6
97.02837	7.5
97.06467	3.1
99.00761	12.6
101.02332	13.8
109.06488	20.8
110.15468	2.4
113.02330	7.0
119.03355	4.1
125.09546	13.6
127.11195	6.3
136.54491	2.5
143.03392	2.9
155.10680	5.1
161.04495	5.2
163.11189	14.5
168.14969	2.4
171.10176	37.7
181.12263	18.6
185.11786	10.5
197.11816	5.4
199.09784	3.3
199.13335	21.6
199.54231	2.7
201.11263	59.8
207.10210	69.4
208.10585	3.7
215.12868	8.9
225.11282	100.0
226.11610	4.1
243.12357	23.2
253.09351	24.2
271.38605	2.4
278.80295	2.5
295.10345	4.2
419.13882	6.7
461.20248	15.3
462.20612	2.6
479.21326	65.8
480.21564	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	479.205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91217	1.1
56.98111	1.1
57.03327	1.9
58.00475	1.3
59.01255	58.3
60.01573	1.6
68.67337	1.3
71.01254	17.9
71.16616	2.9
72.99197	1.6
73.02434	1.7
73.02814	11.7
78.95776	16.3
80.02701	1.1
83.01264	4.4
85.02808	9.9
87.00786	1.2
89.02335	4.8
96.96869	1.4
97.02859	1.1
99.00764	6.6
101.02338	16.1
110.98431	9.8
113.02354	7.9
119.03361	1.4
121.02846	1.6
126.03275	1.2
135.04437	3.2
144.94577	1.2
152.99527	11.6
161.04495	4.5
163.07576	3.5
167.01022	2.1
167.14346	2.7
168.04320	1.1
168.90163	1.1
173.04468	1.6
185.02156	6.0
192.60522	1.4
193.59041	1.2
207.10205	1.8
207.17639	1.5
223.20532	1.8
225.11221	2.8
232.23247	1.2
239.16779	1.1
249.18585	7.0
267.19653	100.0
268.19986	6.3
275.16586	10.5
287.18796	1.6
293.17603	40.6
294.17883	3.5
305.19739	12.3
311.18655	67.0
312.18948	4.3
317.17593	3.8
356.62115	1.3
368.96927	1.3
437.23883	19.7
438.24634	2.0
479.19876	52.3
480.20578	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.9
58.00472	3.9
59.01255	24.6
69.60526	5.6
69.60933	10.7
71.01255	46.4
72.99165	2.0
73.02843	13.8
79.29660	2.1
83.01265	3.2
83.04907	4.1
85.02814	9.5
85.35596	2.1
87.00738	5.5
89.02316	8.2
95.58856	2.1
97.02821	5.8
98.19735	4.1
99.00789	11.0
101.02341	16.2
105.54442	2.3
109.06493	21.1
113.02324	7.6
119.03373	3.2
121.06496	3.2
125.09632	9.1
127.11166	8.1
139.07571	2.6
143.03424	2.5
155.10725	5.3
161.04475	4.7
161.09552	2.3
163.11220	19.3
165.09164	4.2
171.10202	31.3
172.10637	3.2
181.12251	16.8
185.11787	9.8
189.09166	3.2
191.68071	2.6
197.11703	3.7
199.13293	17.6
201.11273	69.2
202.11626	5.3
207.10207	73.8
208.10541	5.0
211.13300	2.6
215.12877	5.3
225.11278	100.0
226.11635	8.6
243.12375	24.9
253.09328	30.2
295.10443	4.3
320.11719	2.8
461.20087	14.1
462.20978	4.1
479.21381	80.4
479.28391	3.3
480.21622	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	479.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.1
59.01254	100.0
69.03330	4.8
70.31631	4.3
70.32012	3.2
71.01256	24.1
71.04900	3.3
72.99185	9.2
73.02833	10.4
74.02350	4.9
75.00758	6.3
79.05400	2.5
81.03332	3.9
83.01273	5.7
83.04900	5.6
85.02826	15.9
87.00722	7.8
89.02323	11.1
93.03327	2.5
95.04932	4.9
96.95929	3.1
97.02840	3.1
97.06483	4.2
99.00772	8.4
101.02326	16.5
107.04922	3.3
109.02876	2.9
109.06438	2.8
113.02312	14.2
119.03377	4.0
122.05975	3.9
123.04447	4.3
125.02361	5.5
125.05963	4.7
129.01848	3.3
135.04398	2.1
135.73930	1.6
137.02371	5.8
137.05952	2.0
159.06482	1.9
161.04463	6.1
161.30502	1.6
163.03915	2.1
163.11282	1.9
175.01425	1.6
175.11197	3.0
177.01872	2.9
177.09128	6.8
185.08121	6.6
189.05235	1.9
191.05560	8.1
193.12260	1.7
197.11812	3.2
199.13373	2.5
204.48854	1.5
205.03537	1.5
207.10271	4.0
219.10234	2.2
225.11269	5.5
229.42224	1.6
232.06728	1.6
239.12831	3.9
243.12376	7.3
253.09181	2.3
255.11545	2.3
276.08755	2.1
281.10059	1.8
299.11261	5.2
305.16049	3.1
317.12469	32.0
318.12836	2.4
347.17245	2.2
406.84628	1.6
413.96817	2.0
419.22751	2.1
435.29593	2.7
437.20529	6.3
438.20297	2.3
447.45291	1.7
478.26620	2.1
479.20618	9.8
479.25491	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	479.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	11.6
58.01943	6.1
59.01248	100.0
64.89909	5.3
69.24373	8.1
69.24776	68.6
71.01238	36.6
73.02823	17.3
76.94579	5.7
83.01262	10.5
83.19056	6.3
85.02831	22.5
89.02359	15.0
92.04511	7.0
93.03377	9.8
96.95911	9.2
98.19836	14.0
99.00745	17.4
101.02338	24.7
109.02891	6.1
113.02341	15.2
123.04387	11.2
125.02351	40.3
137.02373	11.9
148.18666	6.8
161.04506	8.0
185.06015	7.1
191.05553	52.0
207.10179	18.4
225.11168	31.4
243.12325	11.4
261.13416	8.9
270.01651	7.9
271.02435	19.6
299.01987	8.9
316.02405	13.6
317.03189	13.3
317.10242	11.4
357.09753	8.6
358.10065	7.5
359.10510	32.7
389.11493	21.4
393.17706	16.0
435.18527	39.4
435.23892	6.8
479.07697	30.6
479.20377	66.8
480.08987	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	479.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.1
59.01254	100.0
69.03330	4.8
70.31631	4.3
70.32012	3.2
71.01256	24.1
71.04900	3.3
72.99185	9.2
73.02833	10.4
74.02350	4.9
75.00758	6.3
79.05400	2.5
81.03332	3.9
83.01273	5.7
83.04900	5.6
85.02826	15.9
87.00722	7.8
89.02323	11.1
93.03327	2.5
95.04932	4.9
96.95929	3.1
97.02840	3.1
97.06483	4.2
99.00772	8.4
101.02326	16.5
107.04922	3.3
109.02876	2.9
109.06438	2.8
113.02312	14.2
119.03377	4.0
122.05975	3.9
123.04447	4.3
125.02361	5.5
125.05963	4.7
129.01848	3.3
135.04398	2.1
135.73930	1.6
137.02371	5.8
137.05952	2.0
159.06482	1.9
161.04463	6.1
161.30502	1.6
163.03915	2.1
163.11282	1.9
175.01425	1.6
175.11197	3.0
177.01872	2.9
177.09128	6.8
185.08121	6.6
189.05235	1.9
191.05560	8.1
193.12260	1.7
197.11812	3.2
199.13373	2.5
204.48854	1.5
205.03537	1.5
207.10271	4.0
219.10234	2.2
225.11269	5.5
229.42224	1.6
232.06728	1.6
239.12831	3.9
243.12376	7.3
253.09181	2.3
255.11545	2.3
276.08755	2.1
281.10059	1.8
299.11261	5.2
305.16049	3.1
317.12469	32.0
318.12836	2.4
347.17245	2.2
406.84628	1.6
413.96817	2.0
419.22751	2.1
435.29593	2.7
437.20529	6.3
438.20297	2.3
447.45291	1.7
478.26620	2.1
479.20618	9.8
479.25491	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	477.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58101	1.9
57.68952	1.7
59.01247	2.3
70.00571	4.8
70.00958	4.3
75.87328	1.6
92.79731	1.8
93.12691	1.9
137.09644	6.1
139.42497	1.8
151.07579	3.3
155.10692	100.0
156.11044	3.1
162.06808	2.9
171.10191	12.4
177.09140	4.4
193.08670	3.3
199.09685	41.7
217.10768	66.1
218.11105	2.5
277.21719	32.1
278.22122	3.0
477.32190	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	479.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36276	0.3
57.03312	0.6
58.00459	0.5
59.01253	10.0
60.01571	0.4
69.25279	3.8
71.01253	10.8
73.02818	3.4
75.00751	1.1
78.95773	5.4
83.01267	1.1
85.02820	4.2
87.00751	0.4
89.02314	3.9
93.03329	0.4
93.51875	0.3
95.01283	0.6
96.95904	0.7
98.19845	0.9
99.00758	7.7
101.02325	5.8
108.02050	45.1
109.02411	1.3
110.02354	0.6
113.02328	4.4
119.03437	0.5
125.02293	0.6
125.36026	0.3
127.02372	0.3
129.07031	0.4
131.03387	0.9
135.04419	1.0
137.02330	0.8
143.03470	2.0
143.04398	0.4
143.10664	2.5
149.04431	0.5
152.99464	1.5
157.06541	1.6
161.02313	0.4
161.04469	6.2
165.90231	0.3
171.00529	1.5
176.83223	0.3
183.13828	0.6
184.05161	0.6
185.06003	100.0
186.06342	6.0
191.05527	1.9
191.53784	0.4
211.13322	10.7
212.13651	0.7
227.12801	0.4
252.11450	0.3
253.09216	1.3
293.08749	0.7
317.06320	0.4
317.17471	1.2
347.11395	2.0
479.15283	14.0
479.20535	1.3
479.31714	1.1
480.15411	2.1
487.99301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32656	0.8
55.01754	1.9
57.03320	1.5
59.01253	100.0
60.01613	1.0
65.57371	0.8
68.03483	0.9
68.21864	0.8
69.45257	7.9
71.01256	31.4
72.99187	0.9
73.02827	7.4
83.01265	3.8
85.02827	12.0
87.00752	0.9
87.04420	0.9
88.60136	0.8
89.02316	17.3
89.11323	0.9
95.01266	1.7
95.02093	0.8
98.20480	1.9
99.00754	3.4
101.02325	26.7
109.02871	2.5
109.11637	0.8
111.60673	1.0
113.02334	12.9
119.03393	7.4
121.02795	1.8
125.02331	0.9
129.32661	1.0
135.04410	11.4
143.03435	3.2
149.04500	1.0
153.01833	1.1
159.02890	2.3
161.03189	1.7
161.04469	23.1
161.05827	1.4
179.05481	6.9
193.08705	1.4
253.24380	1.1
255.19666	1.5
291.57272	0.8
299.93619	1.1
315.12479	8.5
316.12482	1.1
325.76617	0.9
417.24951	33.0
418.25153	2.8
418.64734	0.8
477.22266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82946	0.7
55.01769	1.7
56.64482	0.8
57.03323	2.2
59.01251	100.0
60.01595	1.3
63.95790	1.1
68.21161	0.8
69.49805	4.6
69.50219	2.8
71.01252	19.7
71.55451	0.8
72.99185	1.7
73.02820	6.2
75.00740	1.0
79.93340	0.9
83.01252	3.0
85.02826	10.7
87.00762	1.4
89.02335	8.7
93.03362	1.0
95.01273	1.2
99.00754	4.6
100.63549	1.0
101.02332	15.5
108.04015	0.8
109.02843	2.1
111.00769	1.3
112.99760	0.9
113.02331	10.4
119.03384	2.3
119.04939	2.3
123.04459	1.5
129.01794	2.0
135.04459	1.5
143.03416	1.4
151.00162	0.9
151.03922	2.0
159.02945	2.8
161.04472	14.0
173.04221	1.0
179.05486	1.6
205.03458	1.1
212.15048	1.0
232.86430	0.9
357.32895	0.9
417.24936	26.3
418.25095	2.3
432.01443	1.0
477.22717	1.0
477.31583	1.1
504.97308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2857
Annotation	Tupichigenin B
Peak:m/z	Relative Intensity
57.03314	3.4
59.01262	6.5
61.98702	1.2
63.76202	0.9
65.03809	1.7
67.99063	0.9
69.03323	1.9
69.73121	3.3
69.73547	3.1
71.01249	1.3
71.04875	2.0
76.60499	1.0
80.37693	1.1
80.60365	1.0
81.03339	1.6
83.04896	8.6
83.31858	0.9
85.06489	2.0
91.05416	1.0
93.03330	2.8
95.04891	2.0
97.06458	4.4
98.19866	1.1
98.93545	1.0
105.06947	1.2
107.04882	1.4
109.06448	3.0
111.04394	1.0
111.08018	6.5
119.04901	2.5
123.08038	2.9
125.09618	8.2
127.11192	2.2
127.45405	0.9
133.06470	1.9
135.08070	1.3
137.09613	2.3
143.07085	1.0
146.05983	1.1
149.05978	1.2
151.11237	1.6
163.11115	1.2
171.10185	100.0
172.10466	2.8
177.09088	1.4
177.12695	1.0
185.11763	2.1
187.14787	1.8
189.12759	1.0
203.14297	2.1
205.15904	6.0
207.13770	1.3
209.11789	10.5
211.13304	10.2
215.14354	3.4
221.15373	5.6
231.13835	10.0
233.15440	12.2
247.16931	2.3
249.14938	48.8
250.15219	3.4
251.16536	1.1
301.03647	1.3
305.17484	2.6
312.17163	1.1
331.26437	2.1
341.24820	2.2
357.24420	2.4
359.25897	1.1
367.22763	3.0
375.25558	4.8
379.19092	1.2
385.23798	17.4
386.24155	1.6
403.24872	17.8
404.25189	2.4
409.19949	1.2
439.16757	1.0
441.26587	2.1
449.28784	2.3
454.02176	1.0
459.27515	36.1
460.27914	3.6
477.28903	38.5
478.28595	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	477.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.8
56.89061	1.3
57.03318	2.7
58.00456	2.2
59.01252	100.0
60.01590	2.0
69.37655	9.1
69.38080	4.8
71.01254	37.9
72.99186	2.8
73.02814	11.5
75.00730	2.2
83.01251	3.9
85.02828	14.8
87.00780	1.8
89.02313	16.4
95.01249	2.7
99.00748	5.2
101.02322	23.9
107.38172	1.4
113.02339	15.7
118.38184	1.3
119.03393	5.3
123.04430	1.5
134.03581	2.3
135.04393	2.4
137.02338	1.9
143.03461	1.6
149.09615	1.9
151.03922	1.6
159.02872	3.9
161.04471	20.6
193.04977	3.8
196.03621	1.6
205.03325	1.6
232.23824	1.5
297.14838	2.1
345.19147	2.5
357.09573	1.6
385.87244	1.6
417.24921	46.5
418.25275	6.7
477.22845	3.0
477.30618	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	477.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
56.32118	0.7
57.03307	1.0
58.00473	1.8
59.01253	100.0
60.01580	1.0
65.63400	0.8
69.03315	1.1
71.01258	42.6
71.06993	1.4
72.99183	1.9
73.02823	34.4
74.91318	0.8
75.00733	1.0
83.01260	6.4
85.02827	8.5
87.00752	2.2
89.02321	38.6
90.02687	0.9
95.01259	2.3
96.95919	1.0
97.02833	1.0
99.00762	77.9
100.01115	1.6
101.02325	25.8
113.02338	19.9
119.03403	8.0
125.01555	0.8
125.02309	4.3
126.90448	0.7
131.03410	9.9
132.61732	0.7
137.02423	2.0
143.03389	3.4
149.04463	22.9
155.03406	3.8
161.04489	10.1
179.05524	3.1
179.06981	1.9
191.05548	30.8
203.05562	11.5
233.06628	3.5
344.25293	1.0
349.67407	0.8
385.27792	0.9
395.18481	3.2
400.00024	0.9
435.22342	16.3
436.22974	1.1
477.23270	17.2
478.23676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03304	3.1
58.00456	1.4
59.01255	42.8
69.03305	5.6
71.01253	21.3
71.04885	2.0
71.58590	1.6
72.99155	2.0
73.02836	12.4
74.02318	1.7
75.00737	2.2
83.01248	2.5
85.02814	7.7
87.00723	4.3
89.02316	12.7
89.37610	1.3
93.03306	2.4
95.04818	1.7
96.95845	3.1
99.00728	4.7
101.02324	14.0
106.04079	2.6
109.02821	3.3
113.02321	6.8
115.00225	3.3
119.03333	3.5
119.04860	1.9
123.04397	2.3
125.09516	2.0
129.01836	1.8
135.04352	3.7
137.02299	1.6
147.08006	3.0
149.05994	21.0
151.03928	2.4
151.11093	2.5
153.12749	2.2
161.02292	1.8
161.04372	6.0
161.09616	7.3
165.09012	2.7
175.02263	4.0
179.10710	8.8
191.05414	2.4
191.10786	7.0
197.11774	100.0
198.12015	4.2
223.09700	3.1
241.10802	9.4
243.12233	1.6
253.09169	6.9
301.03207	1.7
315.15677	5.6
417.24713	2.4
477.19348	97.7
478.19962	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03304	1.0
59.01254	14.0
69.32919	1.7
69.33340	4.4
71.01256	7.4
73.02821	2.3
83.01293	0.7
85.02834	4.1
87.00785	0.9
89.02325	3.2
93.03345	3.2
98.19762	1.4
99.00723	1.5
101.02326	3.1
108.02065	1.6
110.78468	0.6
113.02335	2.7
119.04920	100.0
120.05278	4.4
120.05979	0.9
121.02831	4.0
122.03614	4.6
125.02354	5.9
134.03690	0.9
135.04411	1.1
137.02361	1.4
138.39307	0.7
147.04436	1.7
149.02351	0.6
149.04538	1.2
149.06033	1.6
150.03137	6.8
151.03914	4.5
152.04695	5.3
153.01939	0.7
155.03419	2.2
161.04471	2.6
162.03139	1.5
163.03929	6.0
164.04659	2.5
165.05481	5.3
167.03500	0.7
175.02530	0.8
175.03883	3.1
177.01918	0.7
177.05528	4.2
179.10762	1.2
180.04202	18.6
181.05002	4.9
191.05548	1.5
191.07123	0.7
193.04976	3.5
194.05762	1.2
195.06560	99.5
196.06851	4.2
197.11775	10.3
198.12125	1.4
201.05453	3.7
209.08139	1.5
241.10847	1.7
241.21100	0.8
253.08827	2.5
300.10132	2.9
315.12390	86.7
316.12714	8.0
327.25446	0.7
359.17487	0.7
380.39197	0.6
417.25089	0.9
422.18729	0.6
477.18808	10.2
477.24976	0.7
478.26300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
70.11759	1.5
75.06329	0.3
78.95780	100.0
96.96848	7.4
99.99333	0.3
102.79715	0.3
140.01045	0.5
150.97845	0.4
152.99493	16.9
171.00558	18.6
214.04866	0.5
402.24243	1.8
470.33777	0.3
476.27838	56.5
477.28152	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	25.5
69.61235	7.4
71.58243	12.2
71.58691	13.1
107.89129	8.6
221.15358	8.6
247.83736	8.6
273.13693	8.1
277.22064	9.5
279.23386	10.5
295.59818	10.0
310.47473	8.2
383.22385	20.8
401.23340	37.0
475.26804	100.0
476.27557	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12617	0.8
53.77639	0.8
57.03324	1.2
59.01253	100.0
60.01598	1.2
64.36942	0.8
70.12871	2.6
70.13291	1.5
71.01260	8.0
71.60973	0.9
73.02814	3.9
79.49531	0.8
83.01280	2.5
85.02837	4.2
89.02314	1.4
95.01300	1.3
98.20313	1.9
99.00746	1.5
101.02309	5.6
113.02333	4.1
125.02361	1.5
125.34061	0.8
161.04463	3.2
170.56627	0.7
173.33888	0.8
188.41776	0.8
209.11703	2.0
239.13159	0.8
271.22858	1.3
341.23386	4.5
357.23938	0.8
415.26926	4.6
433.28033	5.8
460.03992	0.9
475.26840	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	475.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07854	1.1
55.01754	1.3
58.76725	0.9
59.01255	100.0
59.57121	1.0
60.01613	1.0
68.86281	1.0
71.01260	7.4
73.02823	3.1
73.11242	0.9
82.08669	1.0
83.01265	1.9
85.02830	3.9
87.00766	1.1
91.03883	2.2
101.02329	5.9
113.02336	2.7
120.01357	1.0
161.04465	2.0
209.11798	3.8
252.35730	0.9
271.22766	1.5
332.22708	1.1
341.23309	13.3
342.23746	1.6
415.27286	2.4
433.27933	3.9
475.26477	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01575	1.1
71.01257	6.2
73.02823	3.2
80.76559	0.8
83.01255	1.6
85.02828	3.1
89.02309	1.8
91.03881	1.5
98.19801	2.7
101.02322	4.3
109.99110	1.0
113.02306	3.3
161.04491	1.7
191.05496	1.5
200.93199	1.0
209.11761	3.6
225.14972	0.9
271.22797	0.9
284.11621	0.8
306.66595	1.0
313.23862	1.5
341.23343	13.5
342.24042	1.1
415.27045	1.5
433.28024	2.8
475.26233	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.0
59.01253	100.0
60.01573	1.1
71.01263	4.7
72.99164	1.0
73.02834	2.4
83.01268	0.8
85.02841	2.1
87.00767	0.6
89.02309	2.7
93.03331	0.8
95.01316	0.5
96.95908	0.6
99.00828	0.6
101.02333	3.3
113.02355	1.6
119.03446	0.8
119.04885	0.9
121.02869	1.2
127.07555	0.5
132.03011	0.5
134.03717	0.7
135.04480	1.0
139.51691	0.6
143.03360	0.6
150.05609	0.7
151.03934	0.6
161.04485	1.4
271.09729	0.6
271.19208	0.8
415.23434	2.1
416.23779	0.6
433.24606	1.7
475.25214	1.7
475.29129	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41702	0.2
59.01251	100.0
60.01583	0.9
69.88972	0.3
70.32428	0.5
70.32830	0.8
71.01247	2.0
71.70267	0.2
73.02833	0.7
85.02831	0.8
87.00769	0.4
89.02333	1.0
89.31244	0.2
94.26044	0.2
95.01228	0.4
99.00732	0.3
101.02335	1.4
109.14628	0.2
113.02345	0.9
119.03413	0.7
161.04469	0.5
183.06847	0.5
199.08705	0.2
208.06168	0.2
224.56145	0.2
271.19083	0.3
355.21451	0.6
373.22275	3.9
374.22800	0.6
415.23169	1.9
475.26019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	63.4
59.27046	20.4
63.71099	16.5
67.98301	18.3
71.58627	29.5
96.95906	20.1
140.80289	17.1
146.60872	20.5
171.10222	18.2
177.02448	16.3
177.74596	17.1
277.21719	57.3
286.26212	20.3
401.23569	30.1
475.27139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04534	0.9
53.48940	1.1
55.01753	1.7
57.03326	1.8
58.00496	0.9
59.01252	100.0
60.01582	1.7
69.03313	1.7
69.46010	4.3
69.46442	4.1
71.01252	29.7
72.99189	1.6
73.02818	15.7
75.00758	1.4
77.96329	0.9
80.64968	0.9
83.01267	5.8
84.88132	0.9
85.02824	8.5
87.00757	4.1
87.04397	5.3
89.02324	18.0
93.03349	3.0
95.01263	2.5
96.95891	2.9
99.00745	4.2
101.02316	21.5
109.02884	1.2
109.83971	1.0
113.02324	15.4
113.95048	0.9
119.03396	5.2
119.04904	2.0
125.02315	2.1
131.03407	1.7
137.02328	4.7
138.02597	1.2
143.03416	3.1
149.02373	1.7
149.04477	2.3
150.03119	3.5
151.00308	1.3
161.04469	6.8
165.05447	4.0
179.05521	3.6
191.05612	1.7
195.06548	2.6
201.14905	1.3
271.06113	4.1
271.19070	2.3
275.11346	1.8
303.14539	1.4
345.19342	2.2
355.08035	1.1
389.21686	1.2
399.10202	1.4
415.23526	11.4
416.23828	1.9
427.14063	2.2
429.20901	1.1
433.24423	21.0
434.24731	1.7
475.21478	5.5
476.13821	1.1
476.22342	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.6
57.03326	2.3
59.01252	100.0
60.01587	1.1
69.50416	6.3
71.01256	31.0
72.99179	1.6
73.02821	21.4
75.00747	1.2
83.01259	4.5
85.02824	14.7
87.00758	1.5
89.02319	9.1
95.01269	1.8
97.02843	1.6
98.20650	0.7
99.00760	9.6
101.02322	23.8
102.02745	0.8
111.00789	1.0
112.01558	0.7
112.26536	0.7
113.02327	15.5
119.03384	2.1
119.04925	2.6
121.02856	0.9
125.02307	2.0
131.03407	2.3
137.09584	2.1
143.03383	3.0
159.02898	3.6
161.04475	10.4
179.05473	1.4
179.10565	0.7
191.05394	1.1
235.13310	1.1
269.15280	1.6
271.09671	0.8
271.19061	1.3
283.15344	1.2
301.16571	20.2
302.16916	1.2
313.14224	1.1
337.01587	0.8
343.17584	3.3
415.18796	1.4
415.23410	2.2
433.20587	30.1
434.20969	3.2
475.21634	48.8
475.27945	5.8
476.21960	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	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29253	0.4
59.01252	100.0
59.77161	0.5
60.01584	0.7
60.36583	0.5
69.59476	3.6
71.01250	3.1
73.02834	1.8
78.68954	0.4
80.77627	0.4
83.01270	0.8
85.02822	0.8
85.74222	0.5
87.00754	6.4
89.02334	1.3
101.02313	2.5
105.03378	0.7
113.02367	1.9
121.72410	0.5
133.02875	1.5
134.03694	0.6
135.04449	1.1
149.02394	0.5
161.02426	0.6
161.04471	0.9
167.90422	0.5
179.03523	1.5
179.07121	0.6
222.44145	0.4
268.07556	1.5
280.07379	0.9
282.05316	1.1
283.06107	0.7
284.06723	0.6
295.06207	0.7
308.06924	0.9
309.07489	0.7
312.06491	1.5
313.07126	3.4
323.09399	1.7
324.06451	0.8
324.09955	1.3
327.08780	3.5
339.08704	5.1
339.12186	1.0
342.11090	4.6
354.11218	2.1
357.13394	10.6
358.13840	1.2
369.13376	9.5
370.13879	1.1
415.23666	1.1
433.24570	0.9
475.12320	2.6
476.13080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	12.2
69.03349	0.8
70.86944	1.5
70.87279	1.0
71.01255	17.4
72.96510	0.7
73.02823	3.4
75.00751	1.4
83.01279	2.7
85.02827	4.2
87.00746	1.6
89.02324	5.2
91.01785	9.3
93.03341	10.3
95.01283	1.2
99.00760	2.1
101.02335	13.6
107.04906	1.4
113.02333	6.4
119.01318	2.9
119.03419	0.9
119.91219	0.8
121.02851	11.6
123.87682	0.8
125.02379	0.9
128.03416	0.7
131.03400	1.1
137.02350	19.3
137.05904	0.7
138.05490	1.2
139.03868	0.9
143.03433	2.6
151.03926	100.0
152.04308	3.7
159.02875	0.9
161.04451	5.7
166.06252	2.3
181.08611	6.7
191.05498	0.8
221.06615	2.4
281.06665	3.5
355.07971	1.2
443.12085	9.6
444.12262	1.0
475.18723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	37.5
61.98697	3.2
62.45905	3.4
70.02802	3.7
71.01250	34.0
71.57838	4.0
72.97399	5.7
72.99175	19.5
73.02843	7.9
75.00739	8.0
76.92526	3.1
82.02871	6.3
85.02821	39.6
87.00756	9.8
88.03911	22.3
89.02322	24.4
93.03331	9.4
96.95885	7.1
99.00759	4.8
101.02332	11.3
113.02328	10.3
113.03455	8.4
114.01871	5.5
115.00259	17.5
115.02142	3.8
119.03403	6.2
119.04886	8.2
121.02839	9.1
123.00710	3.8
123.04432	5.7
124.01592	4.5
125.70354	3.5
131.04515	17.1
132.02925	40.7
132.06570	5.6
132.94519	8.5
133.01341	40.8
133.03264	11.8
133.04962	81.8
135.04390	22.3
136.04778	4.6
137.02342	11.4
138.03137	5.5
139.03911	10.8
149.05959	8.4
150.03177	5.5
155.03392	4.8
161.02415	5.4
163.03938	5.7
165.05469	11.7
167.03407	6.5
173.04448	8.3
177.01871	4.8
179.03410	15.4
179.05603	4.3
179.07059	5.5
180.03764	6.9
181.05016	4.0
191.01903	9.8
191.05550	100.0
191.07098	4.7
192.05908	27.1
193.01353	5.4
199.60057	3.9
209.02979	14.7
221.06456	4.2
222.01660	15.6
223.02304	4.6
223.06107	13.0
233.08429	5.7
327.10864	4.1
341.10849	17.8
342.11255	13.1
353.08783	13.1
354.09094	12.2
377.08777	5.7
415.14273	7.7
459.39319	4.3
475.10217	27.2
476.12137	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	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60689	0.5
59.01252	16.7
63.02262	1.7
65.00193	6.9
69.48458	1.9
69.48876	1.9
71.01257	3.1
73.02820	1.4
83.01246	4.1
85.02836	1.5
85.70238	0.5
89.02303	2.1
91.01763	1.1
91.05441	0.7
93.03333	9.7
98.20584	0.8
101.02327	1.6
105.03403	0.5
107.01279	11.2
108.02071	0.5
109.02846	3.7
113.02296	1.3
113.46075	0.4
118.81609	0.5
119.04917	36.7
120.05237	1.8
121.02841	1.0
125.02332	1.5
133.02878	0.7
135.04424	5.5
137.02356	0.8
149.24171	0.5
151.00272	37.8
152.00621	1.5
153.01808	1.1
161.02333	4.4
164.01039	0.6
165.01860	1.8
169.01331	2.0
175.00247	0.8
177.01883	6.0
185.05887	0.9
193.01390	0.6
221.11763	0.8
227.07074	1.1
253.05046	1.1
254.05496	0.5
271.06119	100.0
272.06482	7.4
313.07166	1.9
313.10596	0.5
393.62274	0.5
415.23282	1.2
475.12619	2.0
475.28656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62302	0.3
53.89516	0.3
57.03336	0.4
59.01252	66.9
60.01587	0.5
67.01762	0.8
69.59781	2.3
71.01257	2.5
73.02824	1.4
77.03852	1.9
83.01240	0.5
85.02836	1.2
89.02340	0.9
89.03848	0.8
91.05394	0.3
93.03342	2.0
95.04872	2.0
97.06480	0.4
101.02338	2.0
105.03336	4.0
108.02104	0.3
109.02845	0.7
113.02335	0.8
117.03350	5.3
119.04923	13.7
120.05245	0.6
121.02856	2.5
122.03653	0.4
123.04411	7.7
124.04790	0.3
125.02298	0.4
129.01848	0.3
132.02032	0.4
133.02853	48.2
134.03160	1.7
135.04422	12.0
136.01555	1.1
147.04445	0.7
149.02357	3.0
151.00311	0.8
151.03923	4.8
161.01057	0.6
161.02347	7.7
161.04393	0.7
162.02786	0.4
164.04768	0.3
167.03413	3.1
177.01848	1.8
179.03419	21.7
180.03761	0.9
193.05006	0.4
197.04489	11.4
198.04829	0.4
223.07584	0.5
224.04900	0.4
239.07079	0.8
251.07092	1.0
253.08722	2.7
254.05835	0.4
271.06519	2.1
271.09616	3.0
279.06711	0.9
282.05341	2.2
283.06113	2.4
284.06555	0.4
294.05411	0.4
295.06094	17.9
296.06412	1.7
309.07532	0.5
312.06488	0.9
313.07175	100.0
314.07532	7.6
321.16150	0.3
327.08795	0.7
355.08246	5.2
415.23428	1.0
443.21445	0.4
457.15472	0.5
475.11865	1.6
475.29077	0.7
476.12854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62302	0.3
53.89516	0.3
57.03336	0.4
59.01252	66.9
60.01587	0.5
67.01762	0.8
69.59781	2.3
71.01257	2.5
73.02824	1.4
77.03852	1.9
83.01240	0.5
85.02836	1.2
89.02340	0.9
89.03848	0.8
91.05394	0.3
93.03342	2.0
95.04872	2.0
97.06480	0.4
101.02338	2.0
105.03336	4.0
108.02104	0.3
109.02845	0.7
113.02335	0.8
117.03350	5.3
119.04923	13.7
120.05245	0.6
121.02856	2.5
122.03653	0.4
123.04411	7.7
124.04790	0.3
125.02298	0.4
129.01848	0.3
132.02032	0.4
133.02853	48.2
134.03160	1.7
135.04422	12.0
136.01555	1.1
147.04445	0.7
149.02357	3.0
151.00311	0.8
151.03923	4.8
161.01057	0.6
161.02347	7.7
161.04393	0.7
162.02786	0.4
164.04768	0.3
167.03413	3.1
177.01848	1.8
179.03419	21.7
180.03761	0.9
193.05006	0.4
197.04489	11.4
198.04829	0.4
223.07584	0.5
224.04900	0.4
239.07079	0.8
251.07092	1.0
253.08722	2.7
254.05835	0.4
271.06519	2.1
271.09616	3.0
279.06711	0.9
282.05341	2.2
283.06113	2.4
284.06555	0.4
294.05411	0.4
295.06094	17.9
296.06412	1.7
309.07532	0.5
312.06488	0.9
313.07175	100.0
314.07532	7.6
321.16150	0.3
327.08795	0.7
355.08246	5.2
415.23428	1.0
443.21445	0.4
457.15472	0.5
475.11865	1.6
475.29077	0.7
476.12854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95075	0.2
59.01252	5.5
60.09453	0.2
65.12024	0.2
68.01299	0.3
69.44172	1.1
69.44599	0.7
71.01245	1.7
71.17876	0.2
73.02824	2.0
74.10686	0.2
89.02325	1.7
95.55730	0.2
98.20601	0.5
99.00755	0.9
101.02311	0.8
106.07672	0.2
111.00806	0.3
113.02361	0.4
121.77382	0.2
122.02388	0.2
123.03162	5.0
125.02322	0.3
131.03392	0.3
136.03978	0.3
137.04726	0.3
138.05508	100.0
138.37024	0.2
139.05850	2.9
140.07063	1.5
152.07083	0.6
161.04466	0.6
170.60374	0.2
180.06555	1.5
182.08176	1.1
192.06595	0.3
223.30901	0.2
225.44766	0.2
234.60092	0.2
282.09940	1.5
300.10852	2.6
301.11102	0.2
302.12289	0.4
342.11911	8.5
343.12265	0.6
344.13455	0.8
414.14325	0.5
432.09222	0.4
432.15112	7.4
433.15598	0.6
474.16147	11.3
475.16229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28628	0.6
52.37484	0.6
59.01258	3.6
66.33295	0.6
67.68484	0.6
71.16991	1.6
78.95778	100.0
96.96845	8.2
111.83040	0.7
140.01076	2.3
152.99501	17.4
171.00565	16.9
214.04742	3.7
277.21732	94.4
278.22079	8.9
311.22153	0.8
313.39288	0.8
393.21051	1.0
400.22546	2.1
457.26520	1.3
474.26254	55.3
475.26855	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60047	0.3
62.46283	0.3
62.96265	0.3
70.11080	1.5
76.97015	0.3
78.95778	100.0
96.96842	8.0
114.80186	0.3
152.99498	15.7
171.00566	16.2
172.01010	0.3
186.70453	0.4
192.02525	0.3
207.10054	0.3
277.21799	0.7
331.59836	0.3
400.22525	1.4
456.00815	0.3
474.26242	51.3
475.26630	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	474.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.2
59.01252	2.2
65.20408	0.1
69.24478	0.2
69.24876	1.3
69.90224	0.2
71.01257	0.9
73.02828	0.4
85.02832	0.2
87.00737	0.2
89.02335	0.5
96.36785	0.1
99.00795	0.2
101.02322	0.5
104.45411	0.1
108.02055	9.1
109.02357	0.2
113.02300	0.3
120.66258	0.1
121.02869	0.4
122.02380	0.2
125.02352	0.2
128.75200	0.1
138.01874	100.0
139.02226	2.9
149.02283	0.2
150.01880	0.1
151.02667	0.6
152.03343	0.2
152.04549	0.2
161.02348	0.2
180.02954	2.0
191.05637	0.3
197.04129	0.1
210.03661	0.1
225.05864	0.2
354.08588	0.1
359.36847	0.1
432.11450	2.0
433.12152	0.2
474.12411	2.4
474.18002	0.2
475.12814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34394	6.0
59.01249	17.9
64.61747	6.6
71.01266	21.5
71.56735	7.9
85.02827	18.4
88.03910	40.9
89.02334	16.3
102.45612	5.3
113.02399	6.1
113.03427	7.1
114.01863	14.1
115.00278	7.1
119.03371	7.4
124.01560	6.8
131.04530	42.4
132.02922	100.0
132.04897	11.4
132.06577	18.2
133.04987	22.2
135.04433	11.6
139.03973	6.7
179.03334	5.7
179.05571	9.8
191.05455	33.2
197.48473	6.0
209.02902	9.3
341.10800	19.6
372.89026	6.7
426.29617	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	0.9
62.77513	0.3
68.52905	0.3
69.41218	2.8
71.01263	0.9
73.02833	0.5
83.01247	0.7
85.02824	0.6
92.44019	0.3
96.17499	0.4
98.20524	0.5
101.02330	0.9
113.02372	0.5
121.02834	0.5
161.04532	0.7
179.03394	0.3
186.45836	0.3
189.09186	0.5
191.54341	0.3
191.81564	0.3
201.62045	0.4
225.15001	0.4
241.05164	1.1
243.13864	0.4
249.12721	0.4
251.16441	0.3
267.13974	0.9
269.11905	0.4
293.12027	0.7
311.12875	8.8
312.13446	1.0
317.32114	0.4
367.12054	0.4
371.20950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13338	0.6
51.27143	0.5
55.01764	1.4
57.03321	2.5
58.00456	0.7
59.01252	88.3
60.01591	0.9
64.61629	0.6
66.24591	0.5
66.86178	0.6
67.98795	0.5
69.03335	0.6
69.39349	5.1
71.01252	31.5
72.01585	0.7
72.99186	2.3
73.02821	15.4
81.03323	0.8
83.01257	6.1
83.04879	0.5
85.02823	14.3
87.00767	2.9
87.04401	6.0
89.02319	9.1
93.03359	0.6
95.01273	2.7
97.02826	1.1
99.00758	3.9
99.04396	1.1
101.02320	25.8
101.05968	1.8
106.86253	0.6
113.02338	10.3
119.02642	0.6
119.03419	2.3
125.02336	2.3
125.95959	0.7
131.03455	0.9
132.37451	0.6
135.04395	0.6
137.09618	0.6
143.03415	1.7
159.02979	1.0
161.04480	7.1
179.05583	1.2
207.17572	0.6
226.27112	0.6
241.59041	0.7
244.45078	0.5
251.16531	2.2
269.17477	1.2
311.12891	5.1
363.38684	0.6
369.23041	0.7
387.23856	6.2
413.21780	6.7
431.22842	10.7
432.22925	0.8
473.23889	100.0
474.24225	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.1
57.03325	2.0
58.00466	1.2
59.01254	100.0
60.01576	1.1
61.96737	0.7
61.98747	0.6
69.03365	0.8
71.01257	36.0
71.38611	0.7
71.38953	1.4
72.01610	0.7
72.99194	1.7
73.02821	13.5
81.03344	0.7
83.01247	5.9
85.02823	16.0
85.99951	0.8
87.00761	3.6
87.04395	8.1
89.02317	9.6
89.30804	0.6
93.03335	1.1
95.01269	2.7
96.16546	0.5
97.02847	1.8
99.00777	3.9
101.02327	21.6
101.02993	1.1
101.05962	2.0
112.01568	0.9
113.02338	13.4
119.03409	4.0
119.04898	1.0
125.02322	2.0
137.02345	1.4
143.03403	1.4
151.03865	0.9
159.02936	1.1
160.43669	0.7
161.04463	7.4
179.03326	0.8
191.05421	0.5
207.17531	0.7
237.15099	0.7
251.16344	3.3
269.17569	1.8
281.70773	0.8
387.24005	9.0
405.66885	0.6
413.21854	10.8
414.22025	1.1
431.22833	16.2
432.23129	1.3
473.23877	89.4
474.24304	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	473.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00364	0.9
59.01254	100.0
60.01610	1.2
65.01627	0.9
69.59119	7.3
73.95086	0.9
86.82172	0.9
96.95888	0.9
98.20522	1.8
99.50124	1.0
105.97654	0.9
109.58389	0.9
136.04681	1.0
157.12036	0.9
473.25412	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50298	0.3
59.01252	100.0
60.01595	0.8
65.41534	0.3
67.31042	0.3
69.30404	0.4
69.30687	3.4
71.01252	2.2
73.02812	2.5
73.74701	0.3
75.60695	0.4
77.36703	0.4
83.01257	0.6
85.02840	0.8
89.02338	1.0
96.95889	0.4
101.02322	3.0
113.02350	1.2
119.03384	0.4
121.02850	0.5
125.02362	0.4
137.00743	0.3
143.10721	1.3
149.04503	0.9
151.93489	0.3
161.04500	1.1
179.21574	0.3
189.09259	0.5
241.05017	0.9
247.50885	0.3
249.13023	0.4
267.13855	0.8
269.11911	0.4
311.12860	6.5
312.13327	0.7
387.13010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68003	0.9
55.01759	1.3
57.03323	1.7
58.00462	2.3
59.01250	100.0
69.03338	1.6
71.01255	65.2
71.57774	1.7
72.01598	1.0
72.99179	5.5
73.02818	40.6
75.00727	1.3
78.89773	0.8
79.55248	0.8
83.01259	7.3
83.57588	1.0
85.02825	12.5
87.00755	5.8
89.02316	50.4
93.03339	1.2
95.01254	3.7
96.95866	1.1
97.02818	2.0
99.00758	97.4
100.01139	1.1
101.02321	36.7
107.04906	3.2
108.00918	0.9
113.02335	33.1
119.03452	10.3
119.04913	41.5
120.05243	1.4
123.04395	1.0
125.02325	4.8
131.03391	11.9
135.04382	1.1
137.02333	1.5
137.05966	12.1
138.05504	3.8
143.03416	3.8
149.04459	30.2
155.03416	4.2
157.15585	1.0
161.04471	12.2
179.05505	2.7
179.06966	1.0
191.05539	39.8
192.05914	1.4
192.65533	1.2
203.05540	15.0
233.06627	4.3
281.10318	26.2
282.10562	1.6
299.11392	13.6
341.12338	18.0
342.12369	1.9
413.14716	6.1
414.14990	1.5
431.15549	33.6
432.15854	3.1
473.16647	68.7
474.16840	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	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80517	0.6
59.01253	11.5
69.24366	7.7
71.01260	5.6
73.02843	1.7
76.22793	0.6
77.75800	0.6
81.03354	1.6
83.01279	0.6
83.04147	0.6
83.84550	0.6
83.96194	0.8
85.02853	1.6
88.57849	0.5
89.02303	1.5
93.03358	1.0
95.04940	1.4
97.13295	0.6
99.00769	1.5
101.02351	2.3
102.53207	0.6
108.02049	5.4
109.02874	2.8
113.02369	2.6
119.03400	0.7
123.04412	17.6
124.01584	3.3
125.02370	1.1
133.02852	0.9
135.04407	1.4
136.01549	0.7
137.02341	39.8
138.01869	59.8
139.03935	2.6
149.02335	0.9
149.04503	0.8
150.03172	0.9
151.03918	53.9
152.04707	43.5
153.05084	1.2
161.04437	1.3
167.07072	8.4
177.01804	3.1
178.02654	4.2
179.07129	1.1
180.02998	1.2
191.05554	0.8
193.05006	5.9
195.02924	9.0
196.03708	100.0
197.04059	3.8
211.06061	57.0
212.06378	3.3
340.07953	1.2
341.15970	1.1
352.69354	0.6
355.10245	1.4
358.09146	0.8
373.11389	3.3
400.10083	7.2
413.21759	1.2
415.12460	37.5
416.12592	3.0
429.14093	0.7
432.10861	1.4
440.12982	1.6
455.15536	8.6
456.15860	1.7
458.14142	2.8
473.10034	1.4
473.16461	23.4
474.17441	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.9
59.01252	5.7
71.01257	7.8
71.58225	0.9
73.02814	3.1
83.01241	1.5
85.02824	2.0
89.02318	4.9
93.03304	0.6
99.00758	10.6
101.02328	6.4
105.03315	0.5
113.02338	3.3
119.04855	0.6
131.03371	0.6
135.04391	1.9
137.02367	0.8
137.05984	1.1
138.05499	1.2
143.03442	1.6
145.02821	1.3
146.03639	46.6
147.04401	3.1
161.04584	1.5
161.06000	17.7
162.06367	1.3
163.03925	1.1
164.04703	34.6
165.05400	2.7
166.64656	0.5
179.07063	100.0
180.07413	5.1
191.05524	3.0
207.61601	0.6
221.04456	1.5
223.11061	0.5
252.57118	0.6
293.08853	1.4
311.07883	1.4
341.12454	0.7
469.14014	0.7
473.16779	20.0
474.16946	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72445	2.0
55.01775	2.3
55.60612	2.5
57.03334	4.0
58.00467	5.5
59.01252	100.0
68.29140	2.1
71.01257	59.3
71.57632	2.6
71.58053	2.8
72.99175	9.8
73.02804	3.2
82.71296	2.1
83.01311	2.9
85.02816	13.1
87.00769	3.9
89.02319	62.4
95.01293	2.8
101.02326	41.7
113.02345	22.9
118.19160	2.3
119.03403	34.2
119.08575	4.5
122.21451	2.4
131.03351	3.6
143.03415	2.8
161.04440	2.8
171.10187	22.8
179.05579	4.0
211.13329	4.6
227.12920	2.2
273.18567	10.9
291.19611	35.6
296.29172	2.5
309.20740	5.1
377.39444	3.1
471.26016	47.7
472.26263	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	473.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.2
58.00479	0.8
59.01253	81.1
59.18981	0.7
69.52780	6.2
71.01257	15.5
72.99165	1.9
73.02827	2.7
74.39472	0.8
80.04948	0.7
83.01260	1.1
85.02825	6.0
89.02318	9.6
94.02863	7.2
95.01287	1.3
96.95901	1.7
101.02321	9.1
113.02327	6.9
119.03406	3.6
121.02841	0.9
124.03884	0.7
125.02356	1.5
130.06540	0.9
135.04422	1.2
135.08136	0.7
137.02354	0.9
142.06532	9.4
143.03426	1.0
146.41620	0.9
153.05783	1.2
155.07306	4.5
156.06841	1.2
161.04523	1.2
164.04712	1.9
166.06540	2.5
167.06076	1.9
167.07367	0.7
168.08069	3.5
169.07623	20.4
170.05997	1.4
170.08018	1.0
179.05518	1.0
179.07077	2.1
180.06667	1.5
180.08159	1.2
182.08426	1.7
182.09821	0.8
183.09166	1.3
186.05624	0.8
187.06369	1.5
192.08037	1.7
193.03235	0.8
194.06059	2.9
194.09773	0.9
195.09229	3.2
195.97350	0.8
196.11269	1.1
206.09738	0.8
208.10051	0.8
221.10803	3.5
222.08983	0.7
223.12358	56.3
224.12732	4.7
249.10326	11.3
263.11716	0.9
267.11389	100.0
268.11722	8.6
271.72198	0.8
281.12909	1.6
309.12457	13.1
310.12964	1.0
311.10379	20.3
312.10800	2.0
353.15512	1.0
371.20761	1.2
387.12668	1.3
431.22626	0.9
473.15671	47.1
473.23679	5.0
474.16211	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23355	0.6
55.01747	0.8
57.03308	1.1
58.00466	1.1
59.01252	30.5
59.57273	0.6
61.64723	0.6
64.64977	0.7
69.03320	0.6
69.41325	3.6
69.41755	2.5
71.00850	0.9
71.01252	17.6
72.99183	1.9
73.02824	2.3
79.05419	0.6
81.03332	1.4
83.01259	1.6
84.83375	0.8
85.02830	4.8
87.00751	1.6
87.04401	1.6
89.02323	11.2
93.03351	1.2
95.01254	1.2
95.04905	1.7
96.95889	1.6
97.02799	3.3
97.06479	0.7
99.00729	0.7
101.02325	9.3
106.04170	0.7
107.04889	0.7
113.02324	4.9
119.03392	3.8
121.06493	6.2
122.03605	2.2
123.04401	5.0
124.46339	0.6
135.04411	8.3
136.05174	1.0
137.02361	4.1
147.04417	1.2
148.05162	1.1
151.07524	1.4
161.04543	1.4
163.03896	2.1
173.05986	1.3
183.00975	0.7
185.09593	1.5
189.09119	0.6
191.05524	1.0
195.06662	1.3
203.10725	34.4
204.11168	1.6
205.12262	2.9
207.65144	0.7
213.09251	1.0
219.13837	1.3
263.12851	5.4
269.12787	0.9
291.16003	7.6
293.17593	4.9
307.15570	0.7
309.17062	12.6
310.17648	0.9
323.17023	0.9
333.20511	0.8
352.16156	0.8
397.55777	0.7
471.22372	100.0
472.22723	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	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10808	0.2
55.01756	0.4
56.20546	0.3
59.01251	100.0
60.01591	0.9
60.30617	0.2
61.98700	0.3
65.03831	0.3
69.07689	0.2
71.01258	5.0
72.99176	0.5
73.02821	2.5
75.00764	0.3
79.44297	0.2
83.01270	0.8
85.02825	1.7
87.00744	0.5
89.02299	1.6
91.01768	2.7
95.01243	0.3
96.95901	0.7
97.02872	0.2
99.00737	1.2
101.02327	3.3
108.02048	0.3
109.02840	6.3
110.03169	0.3
113.02329	2.2
119.03429	0.5
121.02871	0.5
123.04401	0.8
125.02352	0.6
135.00772	4.8
135.04390	0.4
137.02388	0.9
139.03911	0.3
147.04404	0.3
149.06006	0.3
153.01855	4.2
159.03044	0.3
159.04445	0.4
161.04510	1.2
163.03911	0.4
165.02098	0.2
168.00580	0.2
174.03265	0.2
175.03946	0.4
176.94955	0.3
177.01956	0.5
178.04967	0.2
187.03963	0.4
191.03416	0.2
205.05037	0.4
223.13371	0.4
267.12497	0.3
270.98819	0.2
297.13541	1.1
323.17053	0.3
369.19299	0.6
385.11588	0.5
405.52261	0.3
411.09186	1.5
411.20148	0.3
429.10678	0.7
429.17776	1.6
430.18130	0.3
449.46750	0.3
467.89371	0.3
471.06247	0.4
471.11584	3.9
471.18918	1.1
472.12119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64734	6.7
59.00995	9.3
59.01254	100.0
61.98701	32.0
62.74441	6.7
70.60197	17.8
70.60567	8.7
71.01257	50.9
73.02829	46.0
78.12524	7.4
79.68520	6.5
80.96399	11.8
83.01263	12.4
83.04881	16.7
83.30196	6.6
85.02823	14.4
89.02315	20.0
96.95895	41.9
98.19856	8.8
99.00734	10.5
101.02328	46.4
107.13850	7.1
113.02322	15.3
125.02336	10.4
134.02344	34.6
135.02734	9.5
137.02321	21.3
150.05577	7.7
152.96979	8.9
174.03020	14.7
191.05484	9.4
203.10667	18.5
291.16080	26.5
309.17081	33.6
380.48364	7.5
471.15204	32.1
471.22232	72.2
473.11905	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09472	0.9
58.00727	1.2
59.01253	9.3
69.26730	12.0
71.01253	6.7
73.02837	1.6
80.16219	0.9
85.02833	2.1
87.10291	0.9
89.02322	2.7
93.03329	2.5
95.27545	0.8
101.02321	3.9
107.04951	4.7
113.02291	1.6
119.04920	100.0
120.05235	3.0
139.03897	1.1
166.02695	1.8
173.06007	1.1
180.49467	0.9
189.09151	72.8
190.09447	4.8
203.10692	8.7
204.11028	1.3
213.51414	1.0
221.42317	1.1
245.94711	0.9
253.39517	1.0
291.19653	3.2
309.14978	27.8
310.15201	2.3
403.67270	1.2
470.74652	1.0
471.25674	4.7
487.58356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01252	3.4
69.03316	0.5
69.83666	3.9
71.01243	1.4
73.58505	0.6
76.09808	0.6
80.96397	2.7
83.04903	1.4
85.02827	1.9
87.00731	0.7
87.04394	2.3
89.02374	0.7
93.03315	1.0
95.04933	1.3
96.95896	1.9
97.02834	12.2
98.20520	0.7
99.00771	0.8
101.02337	0.8
107.04892	0.8
108.04425	1.1
109.02847	1.8
121.02887	0.7
122.03613	1.0
122.06017	1.1
123.03127	1.2
123.03596	0.7
123.04409	6.9
125.02341	0.6
128.03485	0.7
135.00745	0.9
135.04419	5.8
136.03885	1.3
137.02328	0.7
138.05475	3.0
139.03923	4.4
139.05833	0.8
140.61426	0.6
143.04568	0.7
144.22762	0.7
147.06462	0.6
151.03908	4.6
152.04718	6.5
159.65492	0.6
167.40834	0.6
177.05508	0.7
177.12802	0.8
184.06203	0.7
191.05518	1.0
193.12239	1.4
221.11783	11.8
222.12111	0.8
233.11801	2.0
254.07806	0.9
270.13223	1.1
291.16074	2.6
309.17065	100.0
310.17407	9.0
310.39117	0.7
319.35049	0.6
453.18530	1.1
471.14853	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	471.1147
Annotation	Clofazimine
Peak:m/z	Relative Intensity
55.01752	0.9
57.03327	0.7
58.00453	0.4
59.01252	37.3
65.00205	0.7
65.03839	6.2
67.01760	3.1
69.03327	0.7
71.01255	6.2
72.99184	1.8
73.02816	3.7
74.36289	0.4
80.96389	0.5
81.03336	0.6
82.95940	0.4
83.01251	1.5
83.04903	0.6
83.21618	0.4
85.02819	4.1
87.00751	1.3
89.02309	1.6
91.01770	20.8
92.02088	0.7
93.03346	2.0
95.01257	1.5
95.04887	0.4
96.07566	0.4
96.95874	0.6
97.02837	0.9
99.00765	2.8
101.02331	2.7
107.04911	1.3
108.02035	2.8
109.02837	100.0
110.03176	2.2
111.00754	0.4
111.04406	0.5
113.02335	6.4
114.02605	0.5
117.63813	0.4
119.04906	3.5
121.02831	4.9
123.04421	4.3
125.02358	1.8
130.04092	0.5
131.04924	1.0
133.02837	2.9
135.00778	32.5
135.04362	2.3
136.01151	0.8
137.02345	9.5
139.03938	0.6
143.03412	1.5
143.04938	0.6
145.02855	0.9
145.06471	0.5
146.03642	0.4
147.00766	0.6
147.04419	4.4
148.01584	3.4
149.02338	2.8
149.05997	2.5
151.03932	2.2
153.01842	31.3
154.02191	1.2
159.04422	1.2
161.02327	1.1
161.04553	0.8
161.05988	1.6
162.03163	0.8
163.03951	4.2
165.01868	0.4
165.05493	2.6
167.03413	1.3
173.06017	1.6
175.00281	0.4
175.03958	3.4
176.96889	0.8
177.01866	2.5
177.05460	4.0
187.03909	1.9
189.01846	0.5
189.05557	1.5
189.09134	1.8
190.02591	0.8
191.03416	1.2
193.04977	0.9
195.02905	0.4
203.05626	0.4
203.10776	1.0
205.05003	5.4
217.05028	2.5
219.02786	0.8
223.06020	1.5
249.14975	3.7
297.13342	0.6
301.86002	0.4
309.14966	1.1
339.07227	3.4
357.08240	0.8
367.10355	0.4
385.11432	6.8
386.11743	0.7
411.09009	0.4
427.12415	1.1
429.10602	0.9
429.17633	1.2
456.16373	0.7
471.11475	84.7
472.11768	8.1
472.18228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70873	0.5
59.01256	3.4
66.13319	0.5
69.26191	1.4
69.26606	4.9
71.01251	2.3
72.99171	0.8
89.02329	2.0
89.03840	1.5
90.33498	0.6
96.95911	1.3
104.02544	4.6
105.03350	2.2
120.02067	0.5
122.05991	0.6
133.02855	8.0
135.04420	1.2
148.01569	3.9
148.49428	0.6
149.02377	0.8
176.01073	16.1
177.01848	100.0
178.02193	3.5
193.04971	0.7
201.01891	0.7
219.02914	0.8
238.25108	0.7
321.06458	0.7
323.43161	0.6
339.07086	7.2
471.11411	36.4
472.11252	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77719	16.1
59.01262	21.3
71.01250	52.8
75.25040	15.7
107.24255	14.1
109.06470	58.9
163.11151	36.6
175.88451	15.4
180.86029	15.6
200.88167	16.1
207.10213	51.6
225.11205	18.4
255.23216	23.8
269.66620	18.2
469.33493	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1143
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
69.43277	2.5
78.95782	0.8
81.03356	0.5
89.03833	2.0
91.43241	0.2
93.03345	0.3
96.95892	5.0
96.96857	0.9
105.03343	3.0
109.02874	0.3
116.92707	0.4
133.02858	7.7
134.03177	0.3
149.02315	1.4
151.03938	0.5
176.01065	1.2
177.01854	100.0
178.02193	4.3
191.05521	0.4
196.03726	0.8
211.06082	0.5
219.03214	0.3
278.90363	0.3
358.09552	0.3
373.11426	1.0
471.11401	13.5
472.11832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	19.4
68.82483	5.4
69.52212	23.6
69.52639	25.8
71.01268	6.2
72.99184	38.8
75.00744	22.0
80.03123	6.0
87.00729	6.9
99.00774	18.7
104.55296	5.6
112.98659	12.7
135.02888	21.7
137.09560	7.4
139.11189	11.5
142.99753	19.9
173.00777	8.5
174.01628	100.0
185.11771	41.1
200.26727	6.0
203.10873	6.4
211.13330	12.6
281.55884	8.4
285.22214	9.5
295.22739	28.0
299.14893	6.9
307.22714	28.0
317.21201	11.3
319.22772	21.2
323.22363	15.1
329.21280	13.3
333.20731	25.5
335.22324	12.7
345.20493	9.2
347.22290	66.7
351.21835	49.8
351.25540	9.0
363.21588	10.8
371.22211	8.7
373.20218	70.3
391.21155	26.9
392.21371	6.6
393.23193	6.0
403.21255	28.7
415.21124	9.0
433.22095	33.6
451.23514	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06737	2.3
59.01250	4.1
63.27356	2.6
71.01260	4.1
71.59487	3.0
72.99188	12.5
75.00745	5.5
82.04403	2.1
83.01220	2.2
87.00758	2.7
93.03358	2.4
99.00757	4.2
112.98676	7.6
113.99467	3.7
114.15378	2.3
135.02837	3.5
139.11240	3.1
142.99736	10.1
152.62277	2.1
156.00583	6.5
160.71436	2.2
164.92664	2.1
173.00822	6.5
174.01616	100.0
175.02214	8.7
199.13327	8.7
201.11241	5.6
207.10114	3.3
211.13350	12.8
225.11473	2.6
230.03976	2.4
290.75729	2.5
295.22809	7.0
307.22739	9.2
351.21606	6.6
369.23007	2.6
409.22342	4.7
469.24231	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	469.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80112	1.4
55.84521	1.3
56.56035	1.5
57.03315	3.3
59.01260	7.3
61.84896	1.4
61.98689	3.3
65.03841	1.5
71.01255	6.3
71.57867	1.4
72.99178	1.8
73.02816	1.7
81.03344	2.9
83.01269	3.5
85.02819	1.8
87.00730	2.1
89.02373	1.7
93.03339	2.7
94.02864	1.7
95.04890	3.5
96.95885	4.6
97.02812	6.6
99.00754	2.4
107.04888	1.7
108.02050	2.5
109.02839	34.1
110.18330	1.4
113.02345	4.5
115.15359	1.5
121.02860	2.9
123.04406	18.6
125.02337	16.7
135.04424	41.4
137.02351	15.3
138.01891	13.5
138.05499	6.2
139.02235	3.0
139.03899	4.3
146.03693	2.9
147.04433	1.7
148.03943	3.3
149.02332	5.0
151.03934	13.9
159.04379	2.4
161.02328	2.1
161.04640	1.7
161.05992	6.0
162.03084	2.5
163.03908	6.4
164.00990	4.3
165.01834	6.3
167.03484	2.0
175.03883	3.2
175.07582	3.2
179.03458	9.0
182.92406	1.7
183.26201	1.4
187.03967	4.3
188.04651	3.5
190.02753	2.2
191.03532	2.3
191.05542	3.9
195.06615	2.7
202.06427	1.5
203.07077	12.9
204.99596	5.4
205.05013	13.7
220.01924	4.4
221.08127	2.6
227.07002	3.4
229.08672	1.4
231.02856	1.5
235.04271	6.0
245.08148	15.0
247.05965	1.6
263.10291	4.3
265.07144	1.6
271.10513	2.9
287.13806	1.5
289.07196	100.0
290.07532	8.9
301.11819	2.3
315.08746	27.1
316.09161	2.2
317.06711	2.2
341.06818	1.8
408.18906	1.5
426.20255	5.0
452.18198	2.8
470.18921	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	469.114
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
54.00720	1.2
59.01256	2.7
69.35756	7.4
69.36175	5.0
71.01273	2.3
76.84663	1.3
77.84383	1.2
80.70261	1.2
81.03316	1.5
83.01265	3.2
85.02815	2.1
93.03326	1.8
95.01276	1.6
95.04890	2.5
95.26946	1.4
96.95906	1.3
97.02841	4.7
98.19810	2.1
107.04941	2.0
108.02073	1.4
109.02850	24.9
111.80991	1.5
121.02850	3.7
123.04432	16.5
125.02341	12.5
134.03607	2.6
135.04422	31.9
137.02345	12.9
139.03905	3.3
145.02841	2.7
146.03705	1.5
149.02348	3.6
149.06015	2.0
150.03058	1.4
151.03934	13.6
159.04431	3.1
160.05083	1.6
161.02357	1.9
161.05986	4.6
162.03217	1.5
163.03899	4.0
163.07588	3.2
164.01071	2.1
165.01857	13.2
165.05641	1.8
166.02510	1.4
167.03387	1.6
173.05957	2.5
175.03932	3.6
177.01981	1.3
179.03415	9.4
180.04204	5.5
187.03909	2.8
188.04692	3.2
195.06583	15.4
196.06819	1.8
203.07106	10.2
205.04991	10.4
206.05606	1.8
208.16731	1.3
221.08139	5.1
225.07657	5.3
245.08197	16.0
247.06024	1.5
271.09857	2.4
289.07184	100.0
290.07639	9.3
315.08771	28.2
316.09137	3.7
317.06503	2.1
337.18585	2.8
419.97388	1.5
421.14835	4.1
469.23001	1.9
470.19128	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01247	0.5
55.86302	0.6
58.58823	0.6
59.01255	3.9
70.34356	1.3
70.34740	1.3
71.01241	0.9
72.99181	8.6
75.00748	6.7
78.48332	0.5
78.83191	0.6
83.01266	1.4
87.00780	0.8
89.02339	0.9
92.01220	0.7
99.00739	0.8
101.02335	0.8
113.99486	7.5
125.09586	0.7
135.02896	2.6
140.14282	0.7
156.00565	3.0
161.09686	1.1
167.14291	1.0
171.10156	1.2
174.01613	100.0
175.02020	2.2
229.14299	1.6
257.17636	1.1
274.42676	0.7
275.20120	3.0
277.21661	2.1
287.20087	0.9
299.18866	0.9
305.21121	0.9
331.19080	3.1
347.18848	3.5
349.20270	3.8
350.20535	0.7
367.21097	0.9
389.19839	1.2
407.20547	1.4
445.63614	0.6
449.21777	1.0
467.20813	1.1
467.26797	0.7
488.28729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.5
69.36136	12.7
69.36568	15.2
71.01267	8.3
72.99185	24.1
73.69894	2.6
74.80723	3.8
75.00753	12.9
82.94923	2.7
87.00774	4.6
97.52724	2.6
99.00764	5.7
107.05650	2.7
107.06421	2.9
112.61574	3.0
112.98681	15.0
115.00261	11.3
135.02884	10.0
139.11232	4.2
142.99750	23.3
150.46187	3.4
156.00606	5.5
165.09071	4.3
173.00850	10.6
174.01624	100.0
174.03140	5.2
175.02385	14.0
185.11787	5.3
188.25331	2.9
199.13380	10.1
293.21259	13.8
301.21848	3.0
305.21265	14.1
319.22467	4.9
327.19794	5.5
331.19153	6.2
344.91733	3.3
345.20688	8.8
349.19647	6.7
371.18600	10.3
389.19342	3.6
415.35291	3.1
430.61026	3.4
449.21756	4.3
481.98599	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	467.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85825	0.9
57.03341	1.1
57.36230	0.8
59.01244	4.3
60.64910	0.9
68.50527	0.8
70.88110	1.9
70.88476	1.7
71.01260	1.5
72.99187	11.1
75.00756	8.2
75.47567	0.8
77.24345	0.7
80.96400	1.4
83.01250	1.5
97.06467	0.9
99.00742	0.9
101.02292	1.1
102.50758	0.9
108.00602	0.8
108.77232	1.0
113.99484	10.1
114.14206	0.7
123.85709	0.9
125.09592	2.2
135.02907	3.2
140.21355	0.8
156.00549	1.6
171.10237	4.5
174.01624	100.0
175.01956	3.4
201.11272	2.3
209.11794	5.9
239.12811	0.9
275.20129	2.0
277.21765	1.3
281.52878	1.0
287.20090	1.0
331.19177	4.3
331.22806	0.9
347.18564	3.0
349.20132	4.7
350.20786	0.9
367.21164	1.1
373.84384	0.8
375.21680	2.4
389.19443	1.5
407.20758	0.9
467.20630	1.4
467.26617	1.1
492.69922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.9
57.03313	1.6
58.66164	1.1
59.01239	4.1
61.48120	0.9
70.09549	5.0
71.01253	7.2
72.04408	1.2
72.99183	18.0
73.02808	1.2
75.00749	11.9
78.94358	0.9
80.96400	2.5
83.01270	3.5
85.02860	2.3
87.00757	5.0
93.32204	1.0
99.00771	4.5
100.03923	6.2
101.02296	1.5
110.19740	0.9
111.00748	2.3
111.98761	0.9
112.98690	7.8
113.99473	4.6
115.00259	11.0
117.01801	1.5
121.10170	1.0
124.98768	1.4
131.57309	0.9
133.10132	1.2
135.02876	7.8
135.04382	1.2
139.11147	3.9
142.99760	14.1
144.02910	5.1
147.08078	2.6
156.00562	7.4
157.01350	1.8
165.09131	1.3
171.10129	2.1
173.00821	8.5
174.01622	100.0
175.02397	15.0
175.03851	0.9
199.13373	10.2
201.11253	1.5
205.08681	1.3
218.07362	1.0
285.88916	1.2
293.21301	12.6
301.21695	1.2
305.21280	15.9
306.21713	1.2
307.22806	1.7
319.19180	1.1
319.22772	2.7
327.19540	2.8
331.19098	2.7
331.22836	1.7
333.20908	1.6
345.20642	3.6
349.20236	7.4
363.21912	1.2
367.21201	4.2
387.21881	1.3
389.19681	1.6
407.20804	5.8
449.21698	2.3
467.22659	1.3
470.62683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48366	3.5
59.01249	11.1
61.98716	7.5
66.87527	3.6
69.94582	11.1
69.94997	10.8
72.99172	17.8
74.41914	4.6
75.00769	20.4
80.96397	8.5
85.02793	4.5
89.58788	3.7
95.08796	3.9
96.95914	7.5
97.02826	8.2
97.06477	5.4
98.19885	5.0
99.00761	4.2
100.72839	4.0
101.38981	3.6
113.99461	16.0
119.01416	3.5
135.02895	23.7
148.31737	3.5
156.00558	6.0
173.00853	4.4
173.04710	4.1
174.01633	100.0
232.98679	3.8
252.76920	3.6
275.20288	4.9
293.21313	5.9
305.21182	14.0
331.19235	7.8
338.10535	11.2
347.15189	19.4
349.20413	4.8
389.19986	5.6
407.17593	6.9
451.34427	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	467.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49424	1.8
55.16938	2.2
56.38194	2.1
58.63625	2.3
59.01245	7.1
66.72827	1.8
69.61482	15.3
71.01259	11.9
72.99183	21.1
75.00751	19.3
80.96394	5.7
81.63872	1.9
83.01254	4.5
87.00732	7.4
89.00238	2.2
94.81870	2.5
98.20601	2.5
99.00748	16.3
102.55553	2.2
111.00764	7.2
112.98705	32.2
113.99480	2.8
115.00237	7.6
117.01774	3.8
121.10066	2.5
135.02858	17.8
137.02313	2.2
139.11212	3.9
142.99777	38.2
145.01353	2.5
156.00519	2.5
171.66145	2.2
173.00879	14.8
174.01624	100.0
175.02374	10.9
185.11752	8.0
199.13362	4.1
250.12021	2.9
293.21246	16.5
305.21213	16.6
309.93631	2.1
321.20563	6.0
327.19485	6.6
331.19006	10.1
345.20706	10.2
349.20056	13.5
367.21243	3.7
371.18600	7.6
389.19656	3.4
407.20770	2.4
449.21915	6.5
467.22626	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	467.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.9
57.03322	14.7
59.01253	19.1
60.99168	4.3
67.01751	10.7
67.86674	1.7
69.03328	2.7
71.01256	18.7
73.02824	3.9
74.13473	2.0
75.00762	2.1
81.03329	2.8
83.01248	4.8
83.04896	4.1
84.02038	2.2
85.02822	100.0
87.00745	17.3
89.02321	3.3
93.03338	74.1
94.03627	1.8
96.95885	3.1
97.06479	2.1
98.20533	4.1
99.00792	2.2
101.02346	4.3
109.02841	6.4
111.04382	13.9
113.02314	4.8
121.02847	14.9
122.03657	9.7
123.04460	2.2
125.02332	1.9
129.01836	8.1
133.02847	7.3
134.03639	37.3
135.04472	14.7
136.05151	1.6
137.02328	10.7
139.03938	2.6
139.07535	3.6
142.30437	1.6
147.02846	7.6
151.03894	5.4
151.07541	5.6
152.08286	3.6
155.03433	6.0
161.02440	2.5
161.04437	3.8
162.03032	2.2
173.04477	66.6
174.04666	1.9
177.01862	8.7
178.02620	18.6
179.03355	7.5
191.01906	20.0
191.05499	21.2
201.12747	3.2
201.97475	1.7
203.10710	10.6
204.11465	3.3
219.13805	7.3
231.10127	2.4
243.13898	2.2
257.08191	3.5
261.14951	12.5
263.12814	6.3
275.09308	9.4
287.12912	2.7
293.10327	22.0
305.13953	46.1
306.14401	2.9
335.20779	10.2
449.14618	12.4
467.15564	26.6
467.25034	12.7
468.15884	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.1
59.01244	5.5
67.01747	2.3
69.03304	1.2
69.29886	6.7
69.59089	0.5
71.01247	2.9
73.02806	1.1
76.08626	0.5
81.03329	1.0
83.04894	0.6
85.02817	13.1
87.00755	4.0
89.02319	0.9
93.03336	20.9
96.95866	1.3
96.96851	1.1
99.00758	0.7
101.02309	0.9
109.02842	8.3
111.04385	2.5
113.02322	0.7
121.02762	0.7
121.70138	0.5
122.85037	0.6
123.04433	5.5
125.02314	2.4
129.47432	0.7
133.02826	1.7
134.03627	7.2
135.04420	4.1
137.02353	3.3
147.02835	1.4
149.02325	1.1
151.03932	4.5
155.03418	0.9
161.02335	2.1
161.04492	0.9
171.10231	1.3
173.04474	17.1
175.03908	1.6
177.01808	3.4
178.02599	3.7
179.03419	1.6
189.01889	2.1
190.02409	0.6
191.00020	0.7
191.01852	2.3
191.03700	0.6
191.05556	4.7
192.00571	1.1
198.03033	0.7
199.03909	2.3
201.01903	0.7
205.01436	0.9
209.02998	0.7
213.05502	4.8
214.02641	2.2
217.01350	1.1
227.03447	10.6
228.04228	5.4
229.04956	0.8
231.02986	0.9
231.10110	1.2
242.02263	1.1
243.02950	12.5
255.02963	43.3
256.03696	19.5
257.04526	9.6
257.07370	0.9
257.08212	0.8
269.04578	4.9
275.09259	2.1
282.01740	1.9
283.02426	6.9
284.03195	1.4
285.04010	12.9
286.04382	1.0
293.10263	4.8
297.04022	5.3
298.04504	0.9
299.05713	1.0
341.06772	1.6
357.06198	4.2
389.06754	1.1
407.07697	100.0
408.08029	13.3
423.10886	1.1
449.08856	3.5
449.14655	2.5
467.09753	13.0
467.15659	5.6
467.22552	0.8
467.24426	0.7
468.10095	1.9
468.16858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
59.01247	5.8
62.07767	0.5
67.01759	1.6
69.73357	1.9
69.73786	1.6
71.01257	2.0
72.99168	0.5
75.00723	0.7
83.04907	1.2
85.02829	6.7
87.00747	1.6
89.02311	1.0
93.03342	7.6
95.04900	0.6
96.95873	1.5
99.00750	1.1
101.02329	1.3
109.02834	6.1
111.04426	1.2
113.02251	0.5
115.02558	0.5
118.54543	0.4
121.02953	0.5
123.04408	4.6
125.02381	1.3
127.17961	0.5
129.01796	0.5
132.59001	0.4
134.03630	2.2
135.04405	1.5
137.02333	1.4
141.06908	0.5
151.03941	3.3
155.72826	0.5
159.04404	1.1
161.02336	0.5
161.04407	0.6
171.10184	14.1
172.10539	0.6
173.04465	5.0
173.05844	0.8
175.03810	1.2
177.01854	1.6
178.02666	0.6
187.07574	1.5
189.01845	1.3
189.06659	0.6
190.99950	0.5
191.01869	1.2
191.05539	27.3
192.05885	1.2
199.03920	1.8
201.05675	0.5
202.06343	0.5
203.10663	0.9
209.02884	1.1
211.04025	0.8
213.05469	3.0
214.02699	1.6
214.58565	0.5
217.01366	0.7
219.03029	0.5
225.05641	0.8
226.53596	0.5
227.03464	8.7
228.04231	6.3
229.14310	0.7
230.14754	1.0
231.10251	1.6
242.02188	1.8
243.02939	11.0
253.09247	1.3
255.02968	40.5
256.03699	17.0
257.04498	9.9
257.08112	2.0
258.04691	0.8
267.03009	0.7
269.04483	4.9
275.09222	1.5
281.04694	0.7
282.01596	2.5
283.02454	7.9
284.03125	2.1
285.04031	11.9
286.04407	1.2
289.07159	1.3
293.10324	3.6
297.04037	6.2
299.05496	1.2
313.06885	0.6
341.06509	0.6
357.06155	1.1
389.06824	1.4
407.07697	100.0
408.08014	11.6
423.10629	0.7
441.35742	0.5
449.08673	4.5
449.14523	2.8
467.09814	14.2
467.15521	1.4
467.21304	1.0
467.32312	1.4
468.10135	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	467.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.1
59.01249	14.2
60.99176	1.5
62.48708	0.9
67.01749	4.9
69.03329	2.7
69.58159	7.4
71.01257	11.4
73.02828	2.9
75.00751	1.3
81.03378	1.0
83.01267	1.6
83.04897	1.1
85.02821	19.9
85.03288	1.5
87.00757	7.0
89.02318	2.8
93.03339	31.9
94.03741	0.9
96.95909	2.6
98.19794	1.6
99.00760	1.3
100.29205	0.9
101.02326	5.7
102.64832	0.9
106.84352	0.8
108.02046	1.0
109.02855	4.9
111.04410	6.4
113.02352	3.9
122.54495	0.9
123.04416	3.2
127.03917	1.8
129.01817	2.3
134.03661	11.3
135.04417	3.8
137.02341	3.0
151.03909	2.6
155.03406	1.6
159.04417	2.5
161.04440	3.2
171.10162	15.4
173.04501	26.5
173.05991	2.9
174.06778	1.3
175.03880	1.2
177.01884	2.3
178.02643	2.1
179.03392	2.0
187.03932	1.3
187.07629	9.1
191.01900	3.3
191.05550	100.0
192.05937	2.4
199.03931	2.0
202.06303	2.2
203.10712	2.4
209.02921	3.5
213.05521	2.9
213.09157	3.8
215.07130	2.0
227.03423	5.8
228.04211	4.9
229.08714	1.3
231.10188	7.0
243.02914	9.9
253.09200	1.3
255.02965	33.0
256.03690	15.4
257.04510	5.3
257.08154	12.4
269.04495	4.4
275.09262	9.0
281.04639	1.3
282.01715	2.3
283.02469	7.3
284.03232	1.9
285.04044	11.6
293.10358	11.5
297.04062	3.9
299.05710	1.2
305.16296	1.5
360.32022	1.0
389.06372	1.5
407.07700	79.1
408.08044	7.4
449.08575	2.5
449.14569	11.9
467.09879	8.6
467.15540	3.7
467.21259	3.1
467.28027	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	467.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03316	1.8
59.01252	6.2
60.99181	0.7
67.01765	1.8
69.03342	0.5
69.34619	3.2
69.35030	0.8
71.01249	3.1
72.69328	0.4
73.02816	1.0
74.65331	0.4
78.95753	0.5
81.03352	0.4
82.92992	0.4
83.01271	0.8
83.04900	0.6
84.02055	0.6
85.02824	16.5
87.00758	3.0
89.02296	0.6
93.03335	12.5
95.01259	0.6
95.04898	0.8
96.95894	1.0
96.96852	1.0
98.19742	0.9
99.00763	0.7
101.02328	1.7
108.02039	0.7
109.02839	6.7
110.02338	0.4
111.01923	0.4
111.04398	1.8
113.02360	1.3
121.02874	0.6
123.04414	5.4
125.02335	0.9
129.01852	1.3
133.02852	1.6
134.03638	6.7
135.04407	2.6
137.02357	3.2
139.03888	0.6
141.06984	0.6
147.02884	1.6
149.05978	0.5
150.03148	0.7
151.03928	4.0
154.18448	0.4
155.03465	0.6
161.02356	1.4
161.04555	0.7
171.10216	1.9
171.94684	0.5
173.04482	13.4
173.05962	0.8
174.04666	0.5
175.03946	1.6
177.01816	2.3
178.02631	2.6
179.03407	1.6
189.01833	1.2
191.01970	3.9
191.03505	0.6
191.05522	3.6
192.00691	0.6
196.03751	0.9
199.03912	2.2
209.03038	1.3
210.03012	0.4
211.04042	0.6
211.05980	0.6
212.04640	0.5
212.06493	0.5
213.05489	4.4
214.02675	1.8
215.03377	0.4
217.01378	0.8
219.13921	0.7
225.05597	1.3
227.03444	8.9
228.04225	5.2
229.04926	0.5
231.02969	0.6
231.10173	0.7
242.02145	1.0
243.02962	11.7
244.03403	0.7
255.02979	41.4
256.03705	17.8
257.04486	8.7
257.07346	0.7
257.08252	0.5
258.04959	0.5
269.04581	6.2
270.05081	0.7
275.09235	1.3
281.04514	0.5
282.01743	2.4
283.02505	8.7
284.03177	1.5
285.04031	12.6
286.04440	1.1
289.07208	0.6
293.10379	3.5
297.03979	5.3
298.04590	0.7
299.05615	1.2
305.13925	0.6
341.06729	0.7
357.06235	1.5
363.08936	0.5
389.06717	1.4
407.07727	100.0
408.08084	12.7
423.10938	1.0
449.08691	3.8
449.14627	1.7
450.09177	0.8
467.09790	12.7
467.15628	4.3
467.24777	0.8
468.10263	1.8
468.17685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.8
57.03316	1.5
58.00467	1.0
59.01251	100.0
59.77893	0.6
60.01583	0.6
60.86482	0.6
69.76633	1.2
69.77038	3.3
70.17969	0.5
71.01254	28.4
72.99181	2.5
73.02821	21.8
73.03241	0.7
75.00749	1.0
78.95780	2.2
83.01258	6.2
85.02824	14.4
85.99990	1.3
87.00746	1.9
89.02303	6.2
93.03345	1.3
95.01266	1.8
95.70824	0.6
97.02850	1.7
99.00755	11.7
101.02322	30.8
109.70544	0.7
111.00779	1.5
113.02329	13.3
125.02351	2.6
129.01845	1.3
131.03412	2.8
132.60669	0.7
137.02356	2.1
143.03407	1.5
152.99437	0.7
153.29587	0.7
159.02895	2.2
161.04460	7.4
170.90887	0.6
176.89516	0.7
191.05559	1.7
225.14980	0.8
273.17081	2.6
291.18134	32.2
292.18503	2.3
312.28293	0.7
320.45093	0.6
327.62122	0.6
333.19073	1.3
371.39304	0.6
405.21265	1.5
406.03928	0.7
423.22339	47.5
424.22818	3.2
465.23328	40.4
466.23962	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	466.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.2
59.01249	19.6
66.03359	25.1
67.01754	5.3
71.01266	10.4
71.59083	2.4
72.99191	2.9
73.02819	3.4
75.00748	11.4
81.03339	2.9
83.01267	2.2
83.04908	1.8
85.02827	45.1
87.00748	5.9
89.02335	4.3
93.03342	31.4
95.01286	2.1
95.04886	1.5
96.95898	5.6
97.92013	1.3
98.48029	1.5
99.00735	2.5
101.02343	7.5
108.02083	1.7
108.04504	1.7
108.59892	1.3
109.02839	6.9
110.02361	67.3
111.04395	4.3
113.02338	5.2
123.04429	18.5
124.01562	3.0
125.02378	2.8
129.01874	2.3
133.02849	2.4
134.03641	13.1
135.04425	6.6
137.02347	50.7
139.03905	3.2
147.02896	5.9
147.45699	1.6
151.03909	40.5
152.03551	1.7
152.04700	41.6
161.04662	5.0
161.37750	1.3
162.05379	1.8
165.14752	1.4
167.03349	1.6
167.07031	2.4
171.10214	3.9
173.04482	30.3
173.05963	1.6
177.01842	4.9
178.02675	8.0
191.01923	10.4
191.03374	1.2
191.03807	1.6
191.05492	11.6
193.05090	3.7
195.02951	4.4
196.03703	100.0
197.04066	3.5
209.02922	2.1
210.12088	2.3
211.06062	76.5
212.06392	2.4
213.05501	1.8
227.03493	3.1
228.04202	3.0
228.12994	1.4
237.43343	1.6
243.03000	5.8
254.06830	1.9
255.02954	18.5
255.25735	1.7
256.03799	7.2
257.04565	3.1
261.07547	1.7
269.04501	2.4
275.09216	2.5
278.01288	1.6
283.02423	5.4
283.10883	8.0
285.03973	5.8
293.10275	5.3
297.04083	3.3
299.05698	2.5
355.10379	2.8
407.07684	54.8
422.17285	2.8
449.09000	2.9
449.14801	3.8
451.11273	14.7
465.30878	4.7
466.13544	47.3
466.31299	3.6
467.09586	4.3
467.15302	12.5
469.64398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83783	0.5
55.01763	3.1
57.03333	1.9
58.00484	1.2
59.01251	100.0
60.01608	1.0
71.01254	32.0
71.21454	0.6
71.38747	1.1
71.39091	0.6
72.99177	1.1
73.02818	21.4
78.95776	3.1
83.01259	7.9
85.02826	17.0
85.03339	0.9
85.99960	0.9
87.00763	1.4
89.02312	6.0
95.01288	2.1
97.02834	2.4
99.00758	8.4
101.02327	32.1
111.00778	1.0
113.02336	14.5
125.02372	1.6
127.11213	0.7
131.03424	2.3
143.03421	1.8
159.02895	2.5
161.04465	10.3
183.03813	0.6
186.02721	0.6
191.05606	0.7
226.50499	0.6
273.17075	2.4
291.18137	31.4
292.18506	2.1
333.19171	2.7
405.21405	1.6
423.22342	39.1
424.22934	2.9
454.73462	0.6
465.23386	40.6
466.23804	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.1
57.03329	2.7
57.94788	1.2
58.00466	2.1
59.01252	100.0
61.32114	1.2
67.62257	1.3
71.00893	2.4
71.01255	31.5
71.44940	2.8
72.99191	2.3
73.02821	19.9
78.95779	5.5
83.01259	8.7
85.02825	19.0
87.00741	1.8
89.02323	7.1
95.01260	3.0
96.95901	6.2
97.02818	2.4
99.00771	9.9
101.02332	26.8
101.09092	1.3
113.02324	17.5
119.03325	1.5
125.02359	2.5
131.03386	2.1
159.02882	1.7
161.04462	10.4
162.29649	1.4
171.07993	1.9
191.05537	2.0
225.60553	1.3
250.67134	1.2
254.42259	1.3
273.17062	2.5
280.67441	1.4
291.18134	26.0
292.18579	2.1
333.19125	2.7
405.21133	3.3
423.22354	39.4
424.22629	3.7
465.14236	2.3
465.15491	2.4
465.23343	46.4
466.23737	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96056	0.5
56.42658	0.5
57.03333	1.1
58.12956	0.6
59.01252	100.0
60.01595	0.8
70.92785	1.3
71.01251	6.9
85.02841	1.4
89.02313	7.7
89.69903	0.4
99.46546	0.6
101.02312	3.9
101.28629	0.5
101.67989	0.5
113.02316	2.5
119.03394	3.7
125.02319	1.0
131.03366	0.7
143.03529	0.8
151.00226	0.6
161.04523	1.4
162.61493	0.5
179.05577	1.9
191.05617	1.2
285.04358	0.6
393.13232	0.7
405.21570	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.9
58.00462	2.2
59.01252	100.0
65.00177	2.2
69.03355	1.2
70.11581	4.2
71.01251	22.3
71.01613	1.6
71.13172	1.0
72.99174	2.5
73.02819	2.1
80.94932	0.9
81.03358	1.0
83.01250	5.9
83.04865	1.1
85.02824	10.1
87.00771	2.9
89.02316	30.5
93.03348	2.9
96.95869	2.6
96.96825	1.6
97.02847	2.7
99.00793	2.1
101.02320	13.8
107.01324	1.9
109.02868	1.9
111.04391	1.5
112.49474	1.0
113.02341	9.8
119.03384	14.0
121.02817	2.1
122.03642	1.2
122.06007	1.6
123.04420	3.2
124.01540	1.3
125.02338	43.8
126.02727	1.7
127.03891	1.2
131.03442	1.1
133.02870	3.0
137.00546	1.7
137.02368	3.2
139.03929	1.5
141.01877	1.2
143.03389	3.4
148.01588	1.3
149.02385	3.6
149.04424	1.2
151.00288	13.6
151.03925	2.2
152.00806	1.8
153.01819	10.6
160.01559	2.7
161.02306	1.1
161.04439	3.6
163.00264	3.5
165.00063	3.5
165.01875	1.5
166.02473	1.2
173.04543	1.4
173.06032	1.4
175.03937	7.9
176.01070	1.3
177.01860	9.1
178.99789	7.5
179.05542	13.1
189.05525	2.3
191.05539	74.5
192.05902	2.8
192.99580	31.8
193.01375	1.5
193.99937	1.8
199.03935	4.0
207.08354	1.2
217.03214	1.3
217.05070	4.2
220.07385	1.2
241.05016	3.5
244.07396	1.7
257.04520	1.6
259.06149	1.8
273.07681	1.3
275.05624	2.8
285.04041	43.0
285.12399	8.9
286.04349	3.3
303.01788	1.8
303.05106	27.1
303.08722	11.0
304.05392	1.9
341.05194	2.1
385.05997	21.1
386.06137	2.2
405.21350	7.8
461.95001	1.3
465.01727	5.9
465.10269	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	465.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.8
59.01250	31.9
61.84003	0.8
65.00195	1.0
71.01244	12.6
71.57521	1.1
77.78455	0.7
83.01266	2.2
85.02811	5.9
87.00757	1.6
87.71606	0.8
89.02316	10.6
91.78757	0.8
93.03357	1.3
93.57268	0.9
93.65982	0.9
95.01231	1.3
95.04892	3.1
95.90379	0.7
96.95898	2.6
97.02815	1.4
99.00722	0.8
101.02320	4.4
107.01304	1.4
109.02827	1.3
113.02330	3.5
119.03411	4.1
120.04444	1.3
121.05215	4.3
122.03590	0.9
122.06017	13.1
123.04430	1.9
125.02329	20.2
137.02260	2.2
139.03886	1.0
144.04457	1.8
145.05244	5.1
146.06032	5.0
148.03914	1.2
149.02350	3.4
149.04541	1.9
151.00261	5.6
151.03893	1.0
153.01837	3.1
161.04503	1.1
163.00218	1.1
163.06276	4.2
164.07077	8.9
165.01875	1.2
166.05005	3.1
175.03925	2.2
176.00954	1.0
177.01819	5.1
177.04219	3.1
178.99762	2.8
179.05540	2.9
189.05467	1.3
191.05521	11.2
192.99614	6.2
194.04471	8.6
195.05295	8.6
196.06058	2.7
199.03867	1.7
208.06186	0.9
209.03273	1.2
217.04965	2.1
267.11356	7.1
275.05588	1.6
285.04077	17.9
285.12436	100.0
286.04492	1.0
286.12851	7.2
303.05072	15.2
303.08685	4.1
304.05435	1.0
385.05975	4.5
405.21515	1.5
465.02039	1.4
465.09433	1.2
465.18988	1.6
493.39273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	8.0
58.31004	4.5
59.01252	100.0
68.83878	4.2
69.51180	19.4
69.51595	15.6
71.01256	42.1
72.13810	5.5
72.99191	4.9
73.02808	19.5
75.00757	87.5
83.01238	10.0
85.02828	18.3
87.00750	7.0
87.85144	5.0
89.02329	32.2
93.03340	6.5
95.01241	5.9
96.95885	7.7
98.20602	7.4
99.00746	32.2
101.02306	20.9
109.02853	4.9
113.02335	14.7
119.03387	5.4
120.07798	4.0
125.02338	37.9
131.03401	5.1
137.02338	8.7
139.03885	4.5
141.01883	6.0
149.04443	11.7
151.00270	13.1
153.01819	4.9
161.04462	12.1
173.04503	6.3
176.00993	4.9
177.01886	6.1
179.05579	8.1
190.14020	5.2
191.05536	33.3
199.03957	4.3
217.04938	5.9
225.95258	4.2
285.04019	23.6
303.05078	15.5
379.15692	5.2
405.21500	7.5
421.17047	9.4
423.18665	5.6
425.22949	5.2
447.07053	7.0
465.10193	50.0
465.27756	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	465.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06106	1.9
57.03319	1.9
59.01251	23.4
62.96280	8.5
71.01249	2.4
71.58298	3.0
78.95778	10.2
80.97350	2.9
93.03355	2.7
95.04894	4.7
107.05017	1.8
107.73856	2.1
123.04401	4.7
132.98083	2.3
174.99153	7.6
196.98590	4.0
197.00391	13.9
211.02893	2.3
211.13277	4.5
265.07590	14.8
267.09161	2.9
269.07098	4.3
277.07437	2.2
279.05530	3.1
279.08923	3.0
307.08655	100.0
308.08939	6.1
309.10287	3.8
310.31760	2.9
345.13779	23.4
363.14563	2.2
379.18069	10.5
381.00381	2.2
405.15955	65.5
406.16269	6.4
423.17191	4.7
465.12247	13.6
465.18204	4.6
466.18369	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76859	1.4
57.03315	2.8
59.01253	48.8
69.44469	1.6
71.01252	21.3
71.57541	2.6
72.99176	2.3
73.02831	2.4
81.03316	2.1
83.01260	3.6
85.02837	6.8
89.02315	26.1
93.03361	3.3
95.01289	2.0
95.04898	4.5
97.02824	20.1
101.02341	11.5
106.49988	1.8
109.02863	2.9
113.02348	11.7
118.84496	1.6
119.03400	13.2
121.02839	2.7
122.03613	7.4
123.04424	3.5
124.01543	1.9
124.56149	2.0
125.02325	7.2
135.04378	2.6
137.02338	10.7
138.03134	3.8
139.03873	3.2
143.03423	3.0
148.01547	1.8
149.02356	3.1
149.09645	1.9
151.03922	2.7
153.01906	1.7
153.05469	1.6
161.04469	5.8
163.03944	2.5
165.01859	6.8
166.02600	5.5
167.03285	1.6
167.10629	2.6
173.04539	3.8
174.03156	2.0
177.01863	3.0
179.05576	12.1
191.05501	7.9
201.05522	3.1
202.06245	3.6
204.04184	4.8
217.08765	4.2
219.06561	2.7
220.07399	8.3
225.68645	2.0
235.09724	6.3
244.07352	8.4
244.47644	1.7
247.09866	2.3
259.09766	5.7
285.07706	6.7
285.12512	3.0
303.08743	100.0
304.09079	6.0
327.08801	11.2
328.08896	2.3
363.22446	1.8
398.51086	1.7
405.21335	10.2
465.09177	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	465.1402
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
50.76859	1.4
57.03315	2.8
59.01253	48.8
69.44469	1.6
71.01252	21.3
71.57541	2.6
72.99176	2.3
73.02831	2.4
81.03316	2.1
83.01260	3.6
85.02837	6.8
89.02315	26.1
93.03361	3.3
95.01289	2.0
95.04898	4.5
97.02824	20.1
101.02341	11.5
106.49988	1.8
109.02863	2.9
113.02348	11.7
118.84496	1.6
119.03400	13.2
121.02839	2.7
122.03613	7.4
123.04424	3.5
124.01543	1.9
124.56149	2.0
125.02325	7.2
135.04378	2.6
137.02338	10.7
138.03134	3.8
139.03873	3.2
143.03423	3.0
148.01547	1.8
149.02356	3.1
149.09645	1.9
151.03922	2.7
153.01906	1.7
153.05469	1.6
161.04469	5.8
163.03944	2.5
165.01859	6.8
166.02600	5.5
167.03285	1.6
167.10629	2.6
173.04539	3.8
174.03156	2.0
177.01863	3.0
179.05576	12.1
191.05501	7.9
201.05522	3.1
202.06245	3.6
204.04184	4.8
217.08765	4.2
219.06561	2.7
220.07399	8.3
225.68645	2.0
235.09724	6.3
244.07352	8.4
244.47644	1.7
247.09866	2.3
259.09766	5.7
285.07706	6.7
285.12512	3.0
303.08743	100.0
304.09079	6.0
327.08801	11.2
328.08896	2.3
363.22446	1.8
398.51086	1.7
405.21335	10.2
465.09177	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	465.1032
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
54.61411	1.0
57.03329	8.5
59.01252	100.0
63.02280	1.3
65.00200	2.2
69.38672	1.4
69.38983	11.0
71.01250	18.5
72.99187	2.0
73.02817	1.3
75.00745	1.3
80.95536	1.2
83.01253	4.8
85.02816	9.6
87.00746	2.6
89.02316	23.9
93.03345	2.5
95.01260	2.0
95.04924	0.9
96.13843	1.0
96.95903	2.5
97.02834	3.0
97.15216	1.2
101.02322	10.4
107.01279	5.1
109.02847	4.4
111.00802	1.2
113.02316	6.9
119.03395	10.2
121.02858	2.1
122.03561	1.0
122.05995	3.0
123.04386	4.1
124.01527	1.7
125.02338	72.9
131.03410	1.8
133.02887	1.7
137.00569	1.3
137.02312	2.8
139.03928	2.4
143.03380	4.0
149.02379	8.0
150.03107	1.2
151.00276	19.3
151.03874	3.5
152.01012	1.6
153.01860	13.7
160.01573	1.5
161.04407	2.9
163.00276	5.1
165.00056	1.3
165.01846	1.1
169.01395	2.0
171.04526	1.3
173.04477	1.2
173.73207	1.0
174.03067	2.0
175.03880	10.7
176.01067	3.8
177.01871	20.5
178.99765	14.0
179.05553	10.2
181.01317	2.5
188.04720	1.7
189.05528	3.6
191.05534	55.0
192.05876	1.7
192.99568	23.4
195.05347	2.3
197.06136	1.2
199.03976	5.5
201.01982	1.6
210.95699	1.0
213.05478	2.4
216.03952	1.1
217.05003	9.6
223.04483	1.2
231.06482	1.1
241.04994	6.2
242.05219	1.1
243.02960	1.7
257.04608	2.3
259.06027	2.9
275.05621	7.1
285.04053	75.5
285.12430	14.3
286.04459	6.9
303.05167	62.1
303.08676	8.4
304.05423	3.9
341.04999	2.7
385.05978	17.3
405.21375	6.0
447.09180	2.2
465.01910	5.7
465.10144	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	465.1037
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
55.01788	0.6
57.03316	2.6
59.01254	7.3
63.02261	1.7
64.99849	0.8
65.00196	15.6
68.97975	0.6
71.01240	2.5
73.02817	1.8
75.00754	1.5
75.03245	0.9
81.03338	0.6
83.01255	7.5
85.02819	1.5
87.15476	0.5
89.02320	2.2
95.01265	0.9
99.00768	0.6
101.02306	2.7
101.56277	0.6
107.01270	21.5
108.02135	0.7
109.02843	1.4
113.02320	1.3
113.31827	0.6
121.02853	0.8
122.03611	0.8
123.00777	0.8
123.04396	9.0
124.01562	1.8
125.02344	22.4
126.02738	0.7
133.02837	4.1
135.04420	2.4
137.02388	1.9
149.02309	2.4
150.03142	7.5
151.00278	100.0
151.03900	21.8
152.01067	6.0
152.04337	0.7
153.01808	1.9
161.04402	0.9
169.01344	3.2
174.03261	0.9
175.03986	4.3
176.01097	1.9
177.01866	4.0
178.99792	9.5
179.05547	1.0
185.05991	1.2
191.05646	1.4
197.06024	0.7
199.03938	3.6
199.91055	0.6
201.01868	1.1
213.05511	1.7
215.03534	1.0
216.04031	0.7
217.05084	2.6
241.05020	2.3
243.03020	0.7
257.04492	2.1
259.06079	1.1
267.02985	1.0
275.05594	0.8
285.04037	60.6
286.04391	4.8
302.04492	0.8
303.05115	9.4
304.05316	0.8
313.09317	2.1
339.07257	4.5
447.09323	1.1
454.90524	0.7
465.10342	14.7
465.27402	0.8
466.10672	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	465.1038
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
56.77672	0.6
57.03328	9.6
58.00465	0.8
58.66214	0.7
59.01253	14.4
60.01549	0.6
63.02276	2.3
64.99848	0.9
65.00196	18.7
66.47526	0.6
67.01752	0.6
69.03316	1.2
71.01252	7.7
71.58450	1.1
72.57139	0.6
72.99193	1.1
73.02825	2.9
75.00762	1.8
81.03342	1.0
83.01259	11.1
85.02821	4.1
87.00748	1.4
89.02312	3.8
93.03324	1.2
95.01267	3.9
95.04932	0.6
96.23322	0.6
99.00750	1.7
101.02329	5.1
105.03297	0.7
107.00555	1.2
107.01270	22.8
107.04946	0.6
108.02079	1.4
109.02879	3.9
111.00788	1.0
113.02339	3.5
119.03490	0.9
119.04960	0.9
121.02857	1.5
122.03628	1.3
123.00757	1.6
123.04408	10.9
124.01557	6.8
125.02341	65.3
126.02667	2.5
127.92200	0.6
133.02859	5.0
135.04407	2.8
137.02341	2.3
139.00279	1.4
139.03893	0.9
141.01837	0.9
147.04422	1.3
149.02341	6.2
150.03142	11.2
151.00278	100.0
151.03911	23.8
152.01076	13.4
152.04254	0.9
153.01831	4.5
155.10616	0.8
157.06358	0.8
159.04327	0.7
161.04501	2.0
161.05949	0.9
163.00314	1.1
165.05481	0.7
166.99730	1.2
169.01344	4.7
172.05289	0.8
173.04495	0.9
173.05928	1.5
174.03142	1.8
175.03909	5.6
176.01096	2.0
177.01877	4.1
178.99815	12.6
180.00186	1.0
180.06606	0.7
185.06001	1.8
185.11703	2.9
187.03952	1.3
188.04723	1.4
189.05463	3.6
191.03491	1.4
191.05551	6.3
193.04958	1.7
195.04396	0.8
199.03996	3.5
201.05180	0.6
211.03902	1.0
213.05534	2.1
215.03477	1.0
215.07018	1.4
216.04272	0.7
217.05034	6.9
229.05022	0.9
229.14348	0.8
231.06625	1.2
239.03600	0.8
241.05031	3.6
243.15799	0.9
248.80269	0.6
253.09660	0.9
257.04617	2.6
258.05417	1.1
259.06113	10.2
260.06525	1.4
266.91006	0.8
267.02988	1.6
275.05701	5.4
284.03363	1.3
285.04050	72.9
286.04303	4.8
302.04388	1.3
303.05136	9.8
304.05450	1.0
313.09265	2.1
330.42831	0.7
333.19080	2.9
339.07162	3.6
405.21283	1.7
421.11554	1.3
437.10886	13.0
438.11111	1.6
447.09406	6.1
448.09589	1.0
448.18802	1.1
465.10355	54.4
465.24310	6.0
466.10672	4.9
466.19833	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	463.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45219	1.4
57.03334	1.6
59.01243	4.4
72.99944	1.6
78.95741	1.9
89.08894	1.7
89.75194	1.7
107.08552	4.0
113.50047	1.4
125.09620	2.3
126.00063	1.5
127.11206	2.6
128.04782	1.5
137.09599	2.0
139.11227	2.8
152.99438	2.9
157.83817	1.7
171.10185	100.0
172.10529	4.1
199.13362	3.3
209.11699	5.1
247.20740	3.4
249.40071	1.8
263.20331	2.6
291.19684	50.7
291.35760	1.7
292.20041	5.0
309.20724	28.2
310.20959	2.3
401.30481	2.2
445.29489	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	465.1053
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
50.37805	0.6
57.03334	1.9
58.00486	0.6
59.01254	17.8
61.98711	1.2
62.54684	0.6
63.02275	1.6
63.63226	0.6
65.00196	21.5
70.91413	1.6
71.01256	8.2
72.99187	0.8
73.02821	3.2
75.00764	5.1
75.45753	0.7
78.91766	0.6
83.01263	9.6
85.02811	3.6
85.67294	0.7
87.00761	0.8
89.02326	7.1
95.01261	2.5
96.95894	1.5
97.02847	1.3
99.00793	1.6
101.02328	5.5
107.01279	24.4
108.02079	1.6
109.02850	2.0
111.00749	1.0
113.02335	3.1
119.03400	2.9
121.02881	1.3
122.03625	0.9
123.00816	1.8
123.04426	11.0
124.01559	2.5
124.04698	0.6
125.02357	20.1
133.02866	6.2
134.03596	0.9
135.04422	3.3
137.02351	2.2
139.00281	2.8
140.01065	2.5
140.41100	0.7
141.01848	6.1
143.03421	1.1
149.02371	4.3
149.06068	0.8
150.03145	9.9
151.00288	100.0
151.03909	23.4
152.01100	5.9
153.01811	2.4
157.06561	0.8
159.04463	0.7
161.02391	0.8
161.04535	1.8
165.01805	1.0
166.99773	2.5
167.03435	1.2
168.00581	5.2
169.01384	4.9
173.04530	1.3
173.06013	0.9
174.03151	0.9
175.03938	3.2
176.01094	1.6
177.01813	2.7
177.99023	1.1
178.99808	8.4
179.05499	1.7
185.02571	0.8
185.06009	1.3
187.03885	0.8
189.05566	1.1
191.05544	3.1
194.99316	3.2
195.02959	0.7
199.03995	2.6
201.01776	1.1
209.11771	1.6
210.12166	1.6
211.03998	1.3
213.05493	1.7
217.05035	2.3
219.02957	1.3
229.05055	0.7
235.32771	0.7
241.05017	2.8
257.04611	2.0
266.82297	0.7
274.04935	1.9
275.05573	4.7
284.03156	1.3
285.04047	66.6
286.04437	4.5
302.04416	1.9
303.05115	9.2
303.08771	5.8
313.09116	1.6
321.15616	1.6
339.07327	3.6
405.21524	3.5
437.10947	2.4
447.08920	1.2
465.10342	20.8
466.10770	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
59.01253	8.5
65.44585	0.4
70.16785	1.3
70.17188	1.0
70.32937	0.4
71.01257	4.6
72.61898	0.4
73.02805	1.1
75.60268	0.4
78.95764	1.1
80.02570	0.9
81.03329	1.0
82.46420	0.4
83.04890	4.4
84.01536	0.4
84.02009	0.7
85.02827	1.2
87.00766	0.5
89.02309	3.2
95.04919	1.0
96.95903	1.2
101.02326	4.0
109.06458	0.7
113.02325	2.1
119.03367	0.8
125.06027	0.5
129.81027	0.5
135.08035	1.1
152.99524	0.7
161.04468	1.8
163.11179	3.7
165.12740	2.2
179.05588	0.5
191.10677	0.6
207.10304	0.5
209.11772	100.0
210.12129	4.8
217.00262	0.8
227.12860	15.4
228.13319	1.1
235.08182	0.7
253.09268	13.1
299.33759	0.5
308.03513	0.4
374.88513	0.5
394.10510	0.4
436.14957	0.5
463.08765	0.6
463.19992	0.8
463.31064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00636	0.4
55.23455	0.4
55.73526	0.4
57.03344	0.6
59.01250	2.1
69.93169	2.2
71.01270	0.4
78.95779	6.9
83.04900	0.5
100.55991	0.4
110.98415	5.2
113.09657	1.7
121.02850	0.5
152.99521	0.8
167.01083	1.9
171.10197	1.2
179.14407	1.2
181.12315	0.6
185.02136	4.2
195.13847	17.8
196.14192	0.9
197.11896	0.8
209.11858	2.1
227.12895	0.7
233.22911	0.4
235.13382	0.5
277.21735	14.8
278.22067	1.3
295.22784	100.0
296.23141	9.3
327.23767	0.4
385.29828	0.4
463.24591	12.8
464.24908	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57039	0.5
55.01763	0.9
57.03327	2.1
59.01253	100.0
60.01601	0.9
69.03316	0.8
71.01257	17.0
71.58891	0.7
72.99191	1.4
73.02823	6.4
74.04496	0.6
75.00751	1.2
81.03339	0.6
83.01270	2.5
84.02037	0.7
84.17831	0.6
85.02825	9.4
87.00768	1.6
89.02332	5.3
95.01275	1.4
97.02850	1.4
99.00756	5.2
101.02332	11.3
101.03004	0.7
109.02888	0.8
111.00799	0.9
113.02332	10.6
113.03062	0.8
116.93989	0.5
119.03402	1.1
125.02322	1.2
131.03418	0.7
133.02853	0.7
135.04463	0.7
137.02383	0.7
143.03374	0.9
149.04469	1.3
159.02988	0.9
161.04436	2.8
191.05551	2.1
199.13388	0.9
209.11729	3.1
221.18985	3.8
227.12865	2.8
253.09401	0.9
257.16721	0.8
265.18158	2.5
271.15854	0.7
279.72577	0.6
283.19064	3.2
289.16656	2.1
300.02823	0.6
301.20273	3.2
359.24542	0.6
361.22363	2.7
403.19299	1.3
403.23511	1.9
410.96924	0.8
421.20050	5.8
421.25671	1.2
445.24466	4.6
463.25620	83.9
464.25848	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.4
57.03318	2.6
58.00461	1.2
59.01254	100.0
60.01588	1.5
69.27208	9.2
71.01256	29.4
72.99152	1.3
73.02819	22.6
75.00742	1.3
77.76425	0.8
83.01263	4.3
84.68008	0.7
85.02830	16.2
85.52983	0.8
87.00742	1.4
89.02317	8.5
95.01266	2.1
97.02850	1.8
97.33742	0.8
99.00764	9.4
101.02327	26.6
105.48857	0.8
111.00776	1.1
113.02323	13.6
125.02315	1.8
125.08066	0.8
129.01822	0.8
131.03383	2.4
139.00298	0.7
143.03409	1.3
159.02864	1.5
161.04457	9.0
163.02457	0.8
183.13745	1.1
196.82103	0.9
223.13313	1.1
227.12726	1.0
232.37025	0.9
271.15515	2.0
289.16577	30.4
290.17044	2.2
331.17645	2.7
403.19690	2.2
421.20804	46.8
422.21283	4.2
463.21796	41.2
464.22113	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99805	0.5
52.70964	0.5
55.01768	2.9
57.03345	2.5
58.00457	0.6
59.01252	100.0
60.01580	0.8
60.88657	0.6
69.03323	0.9
71.01255	42.2
71.04871	0.5
71.45620	0.7
72.01585	0.7
72.19418	0.5
72.99200	1.9
73.02821	22.1
75.00753	0.7
83.01254	6.7
85.02826	20.7
87.00754	2.1
89.02315	6.5
92.56300	0.5
95.01263	4.0
97.02853	1.9
99.00761	12.4
101.02323	28.0
111.00795	1.0
112.01520	0.7
113.02338	16.6
125.02328	1.9
127.11185	2.0
129.01872	0.9
131.03412	1.7
132.02110	0.5
134.50073	0.6
143.03419	2.4
159.02946	2.5
161.04469	10.6
169.50381	0.5
178.99071	0.5
191.05550	1.0
209.11751	0.8
223.13324	0.9
238.68321	0.5
271.15497	2.1
289.16586	22.3
290.16928	1.5
312.62677	0.6
331.17703	2.5
342.76373	0.5
403.19727	1.0
421.20767	42.3
422.21106	3.2
447.23163	0.8
463.21820	38.8
464.22223	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	463.2187
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01757	2.8
57.03330	3.5
58.00470	4.1
59.01251	83.5
59.58109	0.7
60.01570	0.9
69.03323	1.6
70.78752	1.4
71.01254	72.4
72.01585	1.2
72.71815	0.6
72.99183	5.4
73.02821	31.4
75.00748	2.3
83.01259	5.2
84.02042	0.6
85.02824	25.1
87.00759	3.9
87.04370	0.7
89.02319	69.5
89.43560	0.7
93.03333	0.7
94.67786	0.7
95.01278	8.0
97.02831	1.2
97.72834	0.7
99.00759	100.0
100.01123	1.6
101.02323	34.8
111.00782	0.8
111.08169	0.7
112.01545	1.0
113.02333	47.6
114.02642	1.7
119.03396	17.2
119.04240	1.1
122.06035	0.9
123.04387	0.8
125.02367	1.9
129.01830	0.9
131.03400	14.3
139.07512	1.1
143.03395	5.2
149.04463	45.6
150.04837	0.9
151.11191	0.9
152.01015	0.7
153.12766	1.9
160.03938	1.6
161.04468	27.7
169.12170	0.7
179.05553	6.9
183.10013	0.6
190.18056	0.7
191.05548	51.2
192.05922	1.4
199.13350	2.1
201.79457	0.7
209.11772	6.0
224.59827	0.8
227.12857	45.6
228.13190	2.0
233.06601	7.1
253.09280	6.1
262.71704	0.7
283.10947	1.0
287.04672	1.0
293.08759	0.8
301.11786	1.3
331.17664	3.7
373.14139	1.9
403.19705	2.3
463.21774	27.5
464.22058	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60252	0.3
55.01733	0.3
57.03316	0.4
58.00481	0.3
59.01252	6.3
60.62857	0.3
66.81042	0.3
68.15305	0.3
69.52262	2.2
71.01258	3.7
73.02820	1.1
75.00751	0.4
80.02533	0.8
81.03328	1.0
83.01254	0.7
83.04890	4.1
84.02030	0.8
85.02818	1.1
89.02312	2.7
92.47749	0.3
93.03324	0.5
95.04890	0.4
96.32520	0.4
99.00753	0.9
101.02327	3.7
107.44621	0.3
113.02354	1.8
119.03381	0.8
125.02354	0.4
125.05921	0.4
135.04457	0.4
135.08058	0.6
147.11687	0.4
147.19373	0.3
161.04488	1.6
163.11198	3.8
165.12746	2.3
179.05548	0.7
181.12274	0.6
185.11905	0.4
191.05579	0.9
191.10750	0.6
199.13356	0.7
204.96562	0.4
209.11771	100.0
210.12097	6.0
227.12845	16.4
227.15164	0.6
227.19438	0.3
228.13181	1.0
253.09248	13.4
254.09756	0.5
299.09192	0.5
301.13080	0.8
376.50848	0.3
463.21936	1.3
469.15372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.7
55.79916	2.0
57.03315	6.5
58.00469	5.0
58.59507	2.0
59.01253	100.0
61.98464	1.7
61.98709	18.8
69.66700	5.8
69.67117	9.0
71.01257	70.4
72.99191	5.8
73.02822	16.9
74.57599	2.0
75.00764	3.3
83.01261	4.9
83.04856	3.0
85.02819	17.5
87.00760	15.4
89.02319	71.1
89.07940	2.1
94.32108	2.3
95.01264	3.9
97.06471	2.6
99.00768	5.7
101.02319	45.7
104.94734	2.2
107.01247	1.9
111.04428	2.6
111.08046	3.8
113.02334	33.7
119.03387	26.4
131.03392	3.5
143.03394	7.0
146.06032	4.2
147.08041	6.0
149.04434	3.5
151.00272	3.6
159.02864	4.1
161.04568	48.2
162.05490	4.0
163.11176	2.3
164.03380	3.2
165.09131	21.0
179.05515	22.9
191.05559	5.8
192.02931	2.3
193.03738	13.5
205.12219	13.3
209.09879	3.8
209.11781	47.5
210.12071	2.1
221.11926	3.2
222.12512	16.3
223.13348	26.1
223.80103	2.1
227.12782	6.3
241.07324	3.9
247.13455	2.9
253.09169	5.6
254.74387	2.4
257.08078	4.3
283.10849	48.9
283.13745	3.9
284.11072	3.5
329.15021	3.3
341.05035	3.6
349.83936	2.3
354.28571	2.2
373.14053	12.9
385.14212	4.0
385.18677	9.9
403.19702	7.3
419.15530	6.2
463.17221	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
59.01253	17.6
64.27794	0.7
69.03391	0.7
71.01260	10.1
72.99204	0.6
73.02825	3.4
81.03343	0.8
83.01273	1.7
85.02823	3.1
87.00742	0.6
89.02332	7.0
91.57356	0.6
93.03324	3.3
94.84217	0.6
99.00760	1.1
101.02326	8.4
102.60492	0.6
108.02064	0.8
111.08059	1.1
113.02332	3.4
119.03402	1.3
125.02351	1.0
143.03441	0.7
146.42595	0.7
161.04483	2.7
165.12772	8.2
183.13837	100.0
184.14165	5.5
192.05519	0.6
195.68413	0.6
200.04770	1.1
201.05493	0.7
209.11798	2.4
215.65681	0.6
222.12474	0.6
227.12836	8.8
228.13339	0.7
229.64084	0.7
253.09271	9.0
259.09732	2.3
289.16379	1.3
293.54984	0.6
295.05807	0.7
331.17618	0.8
421.20490	1.4
463.21848	54.2
464.22186	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	463.2189
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01754	1.2
57.03321	1.2
58.00467	1.7
59.01253	100.0
59.84355	0.5
60.01577	0.7
68.05155	0.5
69.03339	0.9
70.99190	1.6
71.01256	31.0
72.30466	0.5
72.99192	1.9
73.02822	22.2
75.00761	1.8
81.03355	0.9
83.01260	3.2
85.02824	8.6
87.00771	1.3
89.02320	31.0
91.56191	0.5
93.03337	13.5
94.59609	0.6
95.01291	1.9
97.02834	1.1
98.54425	0.5
99.00759	58.8
100.01116	0.9
101.02328	20.6
108.02066	1.9
109.02930	0.8
111.00826	0.9
112.01572	0.6
113.02334	16.3
119.03402	7.1
125.02370	3.5
128.03546	0.5
131.03403	7.1
133.02882	0.7
143.03435	3.8
149.04463	17.8
155.03398	2.5
161.04469	8.7
168.20778	0.5
179.05605	2.1
191.05536	24.3
192.06012	1.0
200.04910	0.6
201.05571	1.9
203.05547	7.8
203.56023	0.5
209.11772	2.6
218.38907	0.5
221.06697	0.6
227.12881	1.0
233.06674	2.4
253.09349	0.7
259.09723	1.0
279.14951	0.6
289.16470	1.3
339.46375	0.6
340.17282	0.5
403.14386	3.1
421.15189	3.4
421.20993	14.9
422.15854	0.8
422.21371	1.4
463.16037	1.0
463.21606	15.5
463.32367	1.1
464.22510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.0
71.01259	1.5
71.17176	0.4
71.59147	0.5
73.02808	0.5
78.95779	100.0
83.04905	0.5
85.02834	0.5
88.71845	0.4
89.02325	1.2
89.16399	0.4
91.55929	0.4
95.01237	0.4
95.04857	0.4
96.95875	0.6
96.96833	6.9
101.02327	1.3
113.02337	0.5
119.04922	0.8
121.43179	0.5
122.06039	0.4
134.06024	0.4
149.72336	0.4
152.99498	9.3
161.04468	0.5
163.11205	0.8
165.12790	0.5
171.00562	44.5
172.00883	0.8
199.13385	0.6
209.11795	11.2
209.13780	0.6
210.12122	0.6
224.09694	0.5
227.12901	3.3
239.12041	0.6
251.11891	0.8
253.09352	2.0
253.13385	2.6
332.14066	0.6
346.15753	0.5
348.17114	2.1
360.17264	1.4
371.16241	1.6
375.19467	1.0
376.20398	1.5
389.17212	0.6
420.19290	7.3
463.21014	35.8
464.18445	1.8
464.20972	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1094
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
51.47331	0.4
54.94518	0.4
56.08757	0.5
56.47315	0.5
59.01249	1.6
69.03310	0.6
69.56014	3.2
71.01283	1.3
83.01290	0.7
85.02833	0.7
89.02344	1.2
89.18897	0.5
95.01265	1.0
97.02815	1.3
99.00741	0.6
119.95952	0.4
120.99573	1.1
123.00773	7.0
123.04401	0.5
124.01558	25.2
125.02351	25.5
126.02706	0.6
149.02377	0.5
149.99498	36.9
151.00156	1.6
151.03864	1.2
167.03371	1.8
168.00558	100.0
169.01273	7.5
179.03374	0.7
193.98781	0.5
331.06744	2.6
445.10007	1.2
453.97504	0.6
463.10922	71.8
464.11212	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	463.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
69.03329	1.1
69.75962	4.2
69.76389	2.0
71.01256	1.2
73.05334	0.7
74.02295	0.9
85.02807	1.1
98.19820	0.9
123.00755	8.5
124.01561	27.5
125.02349	24.2
149.99496	36.8
150.99829	1.4
167.03423	1.7
168.00569	100.0
169.01143	5.2
179.03474	1.0
279.18149	0.8
291.45117	1.0
331.06647	2.8
463.10944	86.6
464.11365	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	463.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74464	0.3
57.03315	0.5
57.35200	0.3
58.00467	2.5
59.01249	15.0
61.98703	3.0
65.99722	0.3
69.37869	2.5
71.01251	6.8
72.99175	0.8
73.02808	1.1
75.00733	0.4
83.01264	0.6
83.04908	0.7
85.02822	2.0
87.00713	0.5
89.02319	4.0
93.03319	0.3
95.01276	0.3
97.02802	0.3
97.18748	0.3
98.19856	0.7
99.00758	0.6
99.38083	0.2
101.02319	4.0
111.04398	0.3
113.02322	2.5
117.00777	0.3
118.06519	1.4
119.03431	1.9
121.02882	0.4
122.06022	0.7
124.07626	0.4
125.02317	0.4
132.04395	0.4
137.04724	0.4
146.02383	0.4
146.06038	1.7
147.03180	0.6
148.03935	0.8
148.07570	1.0
149.02411	0.3
149.04491	0.3
151.00319	0.4
159.11133	0.3
160.03931	3.5
161.04732	33.4
162.01868	0.4
162.05524	9.0
163.02579	0.3
163.05811	0.4
163.11278	0.4
164.03462	2.8
165.04179	0.4
165.09129	0.4
167.05788	0.6
167.10738	0.5
174.05557	0.5
175.02660	3.2
176.03427	0.9
179.05614	0.6
191.05548	2.2
192.02974	6.1
193.03738	27.3
193.27498	0.3
194.04181	1.4
204.06598	1.7
205.07211	0.5
207.01651	0.4
208.02510	0.5
209.11766	7.5
210.12132	0.4
213.09157	0.3
216.18320	0.3
223.13568	0.3
225.02797	0.3
227.12761	1.0
237.06439	0.5
240.10275	1.3
253.06165	0.9
253.09241	0.9
271.06107	0.5
271.14435	1.7
283.10880	100.0
284.11203	7.4
297.12320	0.4
299.13998	0.4
313.11786	0.4
329.15076	2.8
343.12894	0.8
355.13333	0.4
373.14026	13.6
374.14478	1.3
385.14072	1.2
403.15140	1.0
403.19809	0.7
427.15176	0.5
446.85657	0.3
463.12454	0.3
463.17172	7.1
464.17462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66082	0.5
55.07201	0.4
57.03308	1.1
58.00471	6.0
59.01253	22.2
61.98714	2.8
71.00892	0.8
71.01257	9.5
71.55284	1.1
72.99178	1.2
73.02820	2.6
74.91969	0.6
75.00739	0.6
81.03348	0.6
83.01263	1.0
85.02820	3.1
87.00729	0.7
89.02322	5.2
95.01244	1.3
99.00742	0.7
99.04432	0.6
101.02320	4.5
111.00795	0.7
111.13640	0.6
113.02348	3.1
118.06522	1.9
119.03386	1.9
122.06023	1.2
124.07568	1.2
125.02289	0.7
132.04472	1.3
133.05206	0.9
137.04674	0.7
139.00328	0.6
146.06026	5.5
147.03148	1.0
148.03987	0.6
148.07590	3.1
150.05460	1.1
150.54903	0.6
151.98122	0.6
153.43202	0.6
153.95979	0.5
159.02907	0.5
160.03966	4.7
161.04729	40.9
162.05539	8.7
164.03418	3.6
165.04211	0.7
165.09135	0.7
167.05783	2.2
168.06508	1.0
174.05473	1.1
175.02614	2.7
175.06229	0.6
176.03448	0.9
176.07039	0.7
179.05707	1.1
188.07172	0.5
191.05600	2.2
192.02957	5.3
193.03741	26.1
194.04176	1.6
204.06613	4.6
205.07407	1.4
205.12328	0.7
207.05363	0.7
208.02376	0.8
209.11746	7.2
217.07498	0.6
222.23434	0.5
223.13303	0.7
227.08228	0.9
227.12912	1.0
228.13846	0.8
237.06398	2.6
240.10329	1.0
243.11340	1.2
249.06427	1.3
253.09419	1.1
255.11360	1.3
269.12952	0.9
271.14548	5.5
283.10889	100.0
284.11200	6.8
297.12512	1.1
299.14050	1.6
313.11798	0.7
329.15088	7.6
343.12878	2.9
355.12903	0.9
373.14035	38.9
374.14423	4.2
385.14090	3.6
403.15125	3.9
403.19781	1.1
409.13763	0.9
427.14948	1.8
445.16565	0.6
463.17206	15.5
464.17752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3638
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
71.15429	0.5
78.95773	0.5
93.17752	0.3
135.07114	0.5
135.08052	4.1
149.05984	0.8
150.06747	2.1
151.23259	0.3
152.99471	0.8
163.07558	100.0
164.07915	4.9
176.08365	1.1
183.85051	0.4
189.09222	0.6
279.23221	0.4
292.91824	0.3
446.33984	2.3
461.36368	39.7
462.36722	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	461.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98643	0.7
71.15260	0.9
71.15609	1.5
78.95780	1.3
127.33671	0.8
135.08054	4.4
150.06787	2.4
152.99431	2.4
163.07553	100.0
164.07941	3.8
176.08261	1.0
279.23129	1.6
311.80075	0.8
317.08353	0.9
340.55942	0.8
441.77274	0.7
446.33850	2.4
461.36362	52.9
462.36597	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01247	3.6
63.02267	0.7
65.00202	1.1
71.01255	3.0
71.38606	0.8
71.38930	0.5
73.02810	1.7
83.01250	0.8
85.02805	1.2
89.02331	3.9
95.01276	0.6
96.95866	0.7
99.00745	5.4
101.02306	2.0
107.01291	2.4
108.02023	1.3
109.02877	1.2
113.02312	2.0
119.03385	0.6
121.02837	2.2
123.00662	0.4
125.02350	0.6
131.03357	0.6
141.73717	0.5
148.01590	1.5
149.02341	0.4
149.04501	2.1
151.00279	12.1
153.01816	0.5
161.04504	1.2
163.00273	2.7
164.01065	0.9
169.01361	0.7
171.04283	0.5
178.99799	6.2
179.05544	0.8
190.99696	0.5
191.05554	2.5
199.03903	0.9
201.05391	0.5
209.11797	1.7
211.03984	1.1
215.03384	0.8
216.04065	0.5
218.32442	0.4
226.02626	1.9
227.03476	2.7
228.03778	0.5
229.04970	0.8
243.02983	10.1
244.03516	1.4
245.04527	1.6
254.02222	2.5
255.02975	23.8
256.03406	2.1
271.02472	56.8
272.02924	5.1
273.03989	1.3
283.02429	1.8
299.01999	1.3
300.02750	100.0
301.03476	55.5
302.03860	4.0
343.04556	0.7
379.71744	0.5
463.08817	56.7
464.09180	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	461.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14027	0.6
57.03331	0.7
59.01253	100.0
60.01590	1.2
62.76785	0.6
67.92934	0.6
69.62396	4.5
71.01254	7.2
72.99183	1.2
73.02827	1.9
85.02813	3.2
87.00766	0.8
87.04391	1.0
89.02317	4.9
91.05453	0.8
93.03336	0.8
96.95916	0.9
98.02391	1.1
98.20538	0.8
99.00764	1.2
101.02321	4.8
109.02883	2.0
109.06483	1.3
113.02335	3.2
114.15334	0.7
116.03421	0.8
119.03408	1.5
119.04917	0.8
121.02854	5.3
123.72526	0.6
125.02317	0.7
133.02905	2.0
135.04417	13.1
136.04816	0.9
137.02289	0.8
147.04404	0.7
159.04474	1.1
160.03961	1.0
161.04495	1.3
177.05495	0.7
199.04062	0.8
207.10263	1.5
213.05621	0.7
218.11694	0.8
225.11278	1.7
225.13370	0.6
241.05016	6.8
242.05754	1.9
243.03046	0.9
257.08188	9.6
258.08609	0.9
271.02554	1.8
281.04614	5.5
281.07782	1.3
281.17661	1.4
299.01944	1.1
314.04407	1.3
401.21707	0.9
417.28491	1.0
419.23193	1.5
443.22827	1.6
461.10355	1.5
461.24103	14.5
462.24435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.03328	1.8
58.00463	1.6
59.01253	100.0
69.03343	1.4
71.01256	26.4
72.97395	1.6
72.99183	2.6
73.02811	7.6
75.00752	2.0
81.03333	1.5
83.01254	3.9
83.04889	1.7
84.98323	1.0
85.02826	8.9
87.00725	2.4
89.02313	16.1
93.03328	2.3
94.93748	1.0
95.01275	2.1
97.02819	4.8
99.00768	7.3
101.02328	21.8
107.04918	1.6
109.02827	2.4
109.06468	13.4
110.03602	1.8
113.02320	11.1
119.03377	7.1
119.04911	3.9
122.06017	1.1
125.02351	1.5
133.06517	1.5
135.04411	3.2
135.08051	2.3
137.02336	3.6
142.02597	1.6
142.59465	1.0
143.03412	1.9
144.74165	1.1
147.08032	1.2
149.04445	1.6
149.05965	2.5
151.03911	1.4
151.78465	1.2
159.02974	1.3
161.02454	1.5
161.04460	4.2
163.11166	10.1
166.05061	2.8
167.05304	1.3
174.92398	1.0
177.13144	1.0
179.03612	1.0
179.05508	2.5
181.12213	7.7
191.05519	1.3
207.10199	53.9
208.10527	3.2
213.05388	1.2
225.11279	54.1
226.11649	3.4
243.12292	4.9
253.09196	8.9
255.02975	1.9
283.02255	1.5
299.14944	2.1
370.75134	1.1
401.21753	4.1
412.39621	1.3
443.22888	5.1
461.24524	97.0
462.25140	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	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	15.9
59.08636	0.9
71.01254	5.6
71.04890	1.2
71.07461	2.0
72.90556	0.9
73.02827	1.7
78.95777	8.4
81.03316	2.8
82.04333	0.9
83.04899	2.7
85.02818	2.0
87.00755	1.1
89.02321	6.2
95.04903	1.8
96.95914	1.5
97.02828	6.7
99.00751	1.3
101.02325	5.6
104.02374	1.0
109.06481	28.0
110.03615	2.1
110.98427	7.6
111.08044	1.0
113.02346	1.9
119.03383	1.7
119.85506	1.0
121.06490	1.4
122.54427	1.2
135.08035	4.3
136.05193	1.8
142.02583	1.8
152.99435	1.3
161.04453	1.8
161.09633	2.4
163.11215	17.8
164.11354	1.1
167.01082	2.5
179.05396	1.2
181.12259	4.4
185.02150	7.7
189.09053	2.0
195.13864	9.9
205.12236	1.3
207.10211	89.2
208.10556	6.3
223.13353	7.8
225.11285	58.1
226.11571	3.8
228.13403	1.7
253.09294	14.5
256.13077	2.3
275.20209	6.2
293.21249	100.0
294.21579	9.2
299.14923	1.4
338.66461	1.3
394.00858	1.1
410.01141	1.0
429.30246	5.5
430.30426	1.1
443.28763	1.1
461.20560	37.3
461.29108	5.2
462.20944	6.0
462.29581	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.6
59.01259	9.5
71.01240	2.5
71.59292	1.9
72.37518	1.0
75.00772	1.0
77.20938	1.0
78.95788	8.0
78.99290	1.0
92.98883	1.1
96.95863	1.3
97.02836	1.5
97.06496	1.2
101.02344	1.1
109.06490	8.9
110.98405	6.3
113.09618	14.7
139.11165	1.5
152.99466	1.9
163.11230	3.0
167.01088	2.0
167.10721	1.9
179.10724	1.3
185.02162	4.5
195.13869	2.2
207.10211	21.9
223.13458	1.2
225.11295	17.2
253.09273	4.9
275.20132	2.7
293.21231	100.0
294.21616	9.5
384.47269	1.4
443.27939	3.4
444.89392	1.3
461.21231	10.1
461.29297	7.0
462.21143	2.4
462.29309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.5
57.03333	1.5
57.73278	0.5
59.01253	100.0
59.29452	0.5
60.01590	1.4
66.95939	0.5
69.39626	3.3
69.40050	1.9
71.01251	8.4
72.99181	1.3
73.02820	2.9
74.46808	0.5
75.00765	1.0
83.01270	1.0
85.02831	3.8
87.00759	1.1
87.04385	0.7
89.02319	3.7
91.05448	1.2
93.03329	0.8
95.01284	0.6
98.02367	1.7
99.00753	1.4
101.02334	6.0
108.02118	0.6
109.02840	1.9
113.02309	3.8
116.03426	0.9
119.03391	1.0
119.04929	1.3
119.18434	0.5
121.02854	5.1
125.02318	0.5
133.02849	2.8
135.04416	16.8
136.04759	1.0
143.03400	0.7
145.02843	0.6
145.06757	0.5
147.04413	2.1
151.03970	0.7
159.04459	0.5
160.52690	0.5
161.04494	1.5
165.05438	0.6
167.03467	0.5
171.32056	0.5
207.10141	2.6
220.12575	0.5
225.11259	2.2
241.05074	1.8
253.09145	0.8
257.08209	4.6
281.04599	6.9
281.08228	2.0
281.11227	0.5
281.17529	1.1
282.04855	0.8
314.04291	1.1
401.21750	1.1
417.28436	0.7
419.18756	0.7
443.22992	0.7
461.10831	2.1
461.23962	18.1
462.24500	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.5
69.03362	1.1
71.01247	5.0
73.22126	1.0
78.95809	1.2
81.03343	2.1
83.04871	3.0
85.02792	2.5
87.62543	1.2
89.02306	4.2
97.02835	6.0
99.00779	2.1
101.02316	7.5
109.06477	28.3
110.06798	1.1
113.02342	2.7
121.06509	1.5
125.09586	1.7
135.08052	3.8
135.39764	1.0
136.05225	1.8
142.02600	1.4
142.46536	1.1
161.04414	1.8
161.09499	1.9
163.11200	18.2
164.11551	1.1
181.12251	4.8
189.09149	2.4
207.10205	100.0
208.10573	3.7
225.11284	60.7
226.11627	2.5
253.09297	20.5
278.45828	1.1
293.21274	4.2
299.15204	1.5
333.71536	1.0
437.78928	1.3
461.20282	51.9
461.27557	1.7
461.29184	2.2
462.20636	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.7
57.03350	0.9
59.01251	12.8
63.96146	0.7
65.03879	0.3
67.01801	0.5
69.03363	0.9
69.58102	2.1
69.58527	0.6
71.01250	7.5
71.04932	0.9
72.99234	0.5
73.02822	2.6
75.00764	0.4
78.98453	1.9
81.03356	0.5
83.01258	2.2
83.04935	0.5
83.86673	0.4
85.02818	2.6
87.00803	1.6
89.02322	3.8
93.03391	1.0
94.41234	0.4
95.01325	0.5
96.95914	0.3
97.02834	6.2
97.03381	0.5
97.06514	1.5
99.00755	12.4
101.02326	5.5
101.02914	0.5
107.04930	0.8
109.02885	1.3
109.06475	2.8
109.73944	0.3
110.03606	1.8
113.02329	3.6
119.03444	1.2
119.04909	3.4
121.02823	0.5
121.06503	0.5
123.04446	1.1
123.08058	0.6
125.02343	1.8
125.09624	3.1
133.04971	0.8
133.06482	0.5
135.04446	0.5
135.08116	0.8
136.05225	1.4
137.02341	13.6
142.02609	2.5
148.24884	0.3
151.03923	8.2
161.02377	3.4
161.04478	1.7
161.09660	0.4
163.11208	8.2
163.12505	0.6
164.11526	0.4
166.05013	4.0
167.05362	3.0
179.03389	0.7
179.05663	0.4
181.12259	15.3
182.12552	0.8
189.09111	0.4
197.11815	0.9
199.13324	2.4
207.10197	51.2
208.10532	2.5
225.11272	100.0
226.11584	4.5
235.08163	2.1
243.12349	13.6
244.12624	0.5
253.09225	6.8
257.08173	2.2
292.79904	0.4
299.14841	0.8
317.15939	1.3
382.50339	0.3
461.19937	36.3
462.20432	4.1
482.63922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.9
55.44643	0.6
57.03377	0.7
59.00995	2.7
59.01325	22.8
69.43108	3.9
69.43524	1.7
71.01339	10.7
71.04957	1.3
72.99245	1.2
73.02908	3.5
81.03383	0.9
83.01366	2.3
83.04961	0.9
85.02917	4.9
87.00838	2.2
87.04483	0.8
89.02325	5.4
95.01334	1.3
97.02836	5.2
97.06532	0.8
99.00769	11.8
101.02318	9.7
108.02116	1.2
109.02941	2.0
109.06487	4.7
110.03674	1.1
113.02331	5.3
119.03442	1.2
121.02919	2.5
121.06563	0.8
123.08120	0.8
125.09705	3.0
128.03477	1.0
129.01808	0.8
133.05048	0.9
134.03680	0.7
135.04422	8.9
135.08084	1.5
136.05238	1.0
142.02715	2.1
147.04471	0.9
148.05292	1.3
149.05605	1.5
150.05788	0.9
152.01149	1.0
161.02483	0.8
161.04477	3.1
161.09749	0.7
163.07622	1.7
163.11214	9.2
166.05106	1.0
179.05553	0.8
181.12276	15.8
189.09093	0.9
191.05611	1.7
199.13345	1.9
207.10210	55.7
208.10626	3.3
213.05534	3.0
225.11281	100.0
226.11629	5.6
235.08226	2.0
243.12354	11.7
253.09274	8.5
254.09579	0.8
257.08112	2.6
299.14722	1.5
305.04617	0.7
401.21371	0.8
441.79932	0.7
461.19720	41.8
462.20325	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	461.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.7
69.55728	2.9
69.56153	0.8
78.95755	0.4
81.03340	0.9
83.01249	1.4
89.02333	0.5
93.03326	0.4
94.31965	0.4
96.95881	0.8
97.02845	0.5
99.92613	0.4
108.02052	0.6
109.02852	2.5
109.06470	1.8
115.05370	0.5
121.02856	7.8
122.03706	0.6
123.04451	0.4
133.02798	0.5
133.06490	0.6
135.04448	1.1
152.99445	0.6
157.06496	4.0
159.04430	3.3
163.11154	0.7
168.05757	0.4
169.06476	0.6
171.04416	1.8
172.05197	0.9
173.06003	2.6
177.12787	0.9
181.06462	1.4
181.12247	0.9
183.04398	0.8
185.02274	0.9
185.06129	1.2
187.07603	0.6
188.08310	1.8
193.06573	0.5
197.05960	2.4
198.06686	0.9
199.03951	0.5
199.07533	0.8
201.05496	2.4
207.10211	3.8
211.07686	2.4
212.08363	0.4
213.05545	2.6
214.06133	0.8
221.05748	0.4
223.07687	0.5
224.08382	0.6
225.05582	2.1
225.09177	1.0
225.11284	2.9
227.03448	0.8
227.07089	1.1
237.05595	1.1
241.05045	16.4
242.05708	2.1
251.10892	0.9
253.05072	0.8
255.06625	14.5
256.07108	1.1
257.15454	2.6
267.06760	2.6
293.21405	1.1
295.17102	1.5
309.11435	2.4
309.18704	0.5
311.20163	3.1
317.19067	1.0
335.20221	4.9
336.20697	0.7
337.17969	2.4
361.18277	3.0
366.57382	0.5
379.19147	100.0
380.19528	11.1
401.17371	1.8
419.18582	1.4
461.14362	0.5
461.20007	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.7
59.01258	21.5
60.60210	1.1
69.68037	2.6
69.68447	6.7
71.01263	8.7
72.99168	1.1
73.02824	2.6
83.01275	2.5
83.04862	1.3
84.75246	1.0
85.02830	4.3
88.44456	1.2
89.02307	3.2
93.03374	1.9
95.04925	1.6
97.02860	5.7
98.13200	1.0
99.00752	1.2
101.02318	3.6
105.06987	1.9
107.04903	3.3
108.05676	3.1
109.02833	5.9
109.06478	3.9
111.04406	6.4
111.07993	1.3
113.02330	3.4
113.05265	1.2
113.05951	7.3
119.04930	1.9
119.08511	1.5
121.06478	2.1
122.03595	3.3
123.08048	5.1
125.05940	7.3
135.04381	1.5
135.08054	1.8
136.05191	6.1
137.02332	5.8
137.05945	1.5
138.06757	7.2
139.07565	23.6
149.06033	2.3
151.03918	7.4
151.07555	45.1
152.04721	6.2
152.08362	21.2
153.09117	10.1
159.11734	2.2
161.04475	3.2
161.09618	3.3
163.07533	4.7
163.11269	1.4
167.07005	3.3
188.08405	1.2
191.05504	1.8
197.02110	2.3
201.12796	13.2
203.10840	5.3
204.11507	20.9
205.11905	1.4
207.10196	6.1
219.13853	42.7
220.14206	2.9
225.11270	8.7
240.10220	1.9
240.58052	1.1
243.13834	1.8
245.11810	3.0
257.08093	3.4
263.12881	100.0
264.13229	7.4
281.04596	2.3
287.12860	3.0
297.04111	1.7
299.09250	1.5
305.13968	4.2
461.15314	2.5
461.20346	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
59.01254	15.2
60.01582	0.4
69.31061	2.8
71.01252	2.7
72.99217	0.3
73.02821	1.0
75.00764	0.3
83.01253	0.4
85.02819	0.9
89.02320	1.7
90.50499	0.2
91.05430	0.5
93.03341	1.2
96.19981	0.3
97.02823	0.4
98.20571	0.4
99.00769	1.3
101.02341	1.8
102.42741	0.3
102.98482	0.3
106.06640	0.2
109.02843	2.9
113.02348	1.4
119.03392	0.4
119.04917	1.2
121.02845	66.9
122.03152	2.2
131.03410	0.4
132.27011	0.3
134.03688	1.2
135.04414	100.0
136.04758	3.9
143.03430	0.4
145.02757	0.3
147.04417	1.9
149.04471	0.7
151.03879	0.4
151.07228	0.2
152.17847	0.3
161.04466	0.4
163.03922	0.9
163.11215	0.3
167.10704	0.3
172.18355	0.3
188.16809	0.3
191.05536	1.0
207.10179	1.0
225.11293	2.6
253.09276	0.5
257.08173	33.0
258.08484	2.9
299.18573	0.4
352.56113	0.3
366.92029	0.3
417.28564	0.4
419.19000	0.7
461.14090	0.5
461.19031	0.4
461.24622	1.3
474.60446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38411	0.6
55.01755	1.1
58.00468	0.8
59.01254	15.1
63.55200	0.6
64.01501	0.7
69.03330	17.4
69.47207	0.6
71.01257	20.4
71.58636	0.9
71.59025	0.8
72.99184	1.5
73.02824	7.6
75.00728	1.9
78.49594	0.6
79.01750	2.7
81.03336	1.6
83.01263	1.9
83.04897	0.7
84.83564	0.6
85.02831	7.7
87.00737	1.9
88.50516	0.6
89.02326	6.8
93.03326	1.7
95.01255	4.1
97.02834	10.9
99.00760	13.9
101.02328	11.2
107.01267	11.8
108.02061	13.8
109.02879	4.1
109.06487	1.3
113.02327	8.1
118.63631	0.7
120.99454	0.7
121.02879	1.5
123.00803	3.5
125.02348	34.1
131.03387	1.2
135.00781	74.2
136.01100	3.0
137.02332	2.3
139.03914	1.1
140.64815	0.6
143.03400	1.5
149.02342	0.7
149.04442	0.9
151.00258	4.7
151.03972	0.9
152.01054	23.5
153.01785	2.4
154.94710	0.7
159.02870	1.0
161.02347	0.8
161.04468	12.1
163.03915	2.0
163.11183	0.9
166.02620	16.1
167.03416	100.0
168.03734	3.3
177.01863	2.0
181.12123	0.6
191.03593	1.0
191.05544	2.4
207.10260	3.4
209.04391	1.1
211.04356	1.1
225.11287	5.1
231.71652	0.6
253.09354	0.9
257.04593	1.5
257.08063	0.7
293.08954	0.8
315.07205	2.4
329.08771	18.3
330.09097	1.0
429.01443	0.8
429.10361	27.7
430.10703	2.2
461.13071	37.0
461.19943	3.4
462.13388	2.9
464.34140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1302
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
57.03317	1.3
59.01247	6.2
62.32297	0.4
65.00183	0.8
69.59975	0.9
69.60385	2.4
71.01254	1.7
72.99187	2.6
73.02814	1.2
75.00731	0.5
81.03337	4.4
83.01258	2.0
85.02836	1.1
89.02312	1.1
93.96029	0.4
95.04898	0.7
97.02828	0.5
98.19761	0.5
99.00754	0.9
99.04393	0.6
101.02316	1.2
109.06502	1.4
113.02331	0.6
119.04916	0.5
123.04414	35.5
124.04765	1.1
125.02335	13.0
126.02719	0.5
135.00824	0.4
137.02354	1.1
149.02342	0.7
151.00282	1.3
161.04457	0.6
163.11162	1.0
166.02672	1.1
167.03421	100.0
168.03787	3.7
181.05000	0.5
191.03461	3.6
207.10191	3.2
209.04521	4.5
221.04474	0.8
225.11290	4.3
251.05595	0.8
253.09370	1.1
257.04596	1.0
257.08160	0.6
269.06644	1.4
299.07751	3.0
329.09039	0.6
341.08734	6.5
389.02127	0.4
461.13037	50.6
461.19928	3.3
462.13309	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82298	0.3
55.01746	0.7
57.03318	1.1
59.01253	100.0
60.01592	1.2
69.49457	2.6
69.49869	0.8
71.01256	16.2
72.87888	0.4
73.02824	6.3
83.01263	3.0
84.75049	0.4
85.02830	6.1
87.00768	1.6
87.04414	1.7
89.02318	7.1
95.01291	1.9
97.02871	0.5
98.19862	0.8
99.00755	1.9
101.02322	12.2
106.04920	0.4
107.68744	0.3
111.00791	1.2
113.02333	6.9
119.03442	2.6
125.02383	0.5
132.58104	0.4
136.39360	0.4
143.03398	0.9
159.02954	1.0
161.04480	5.3
179.05574	0.8
210.81306	0.5
239.16493	0.5
255.19609	0.7
267.04666	0.4
351.21664	0.5
378.72919	0.4
397.75070	0.4
399.23862	8.9
400.24301	0.9
417.24976	12.4
418.25388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97950	2.7
59.01255	18.0
63.96108	19.6
64.20264	2.2
69.17271	2.2
69.87896	11.0
71.01248	13.4
72.99194	3.6
73.41045	2.2
74.98981	8.0
83.01247	3.7
85.02828	5.9
88.61035	2.5
89.02314	5.1
91.93857	2.5
95.04945	3.5
95.34690	2.1
99.00751	3.7
101.02316	6.6
104.30293	2.3
108.02048	9.3
109.02818	6.5
113.02341	4.9
117.97192	100.0
119.03423	3.0
123.04372	3.8
125.02321	5.7
131.01288	2.9
137.02299	5.3
149.02327	6.1
151.04022	2.7
152.01045	7.0
153.09158	2.7
161.04440	5.0
166.02580	3.5
167.03394	14.9
179.03398	4.1
190.55739	2.6
191.03476	11.7
209.04500	28.8
221.11787	3.1
237.04373	4.0
239.05676	5.2
298.03549	16.2
299.04337	6.8
341.08737	8.7
461.12958	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03316	0.4
59.01251	100.0
60.01590	0.8
60.45715	0.2
65.62103	0.2
69.03334	0.2
69.58343	1.5
71.01254	7.1
72.99197	0.3
73.02821	2.0
83.01250	0.8
85.02824	3.3
87.00731	0.2
87.04385	1.0
89.02313	1.9
91.97618	0.2
95.01273	1.0
97.02824	0.2
99.00755	1.1
101.02319	3.2
113.02325	6.4
117.64050	0.2
119.03394	0.4
125.02355	0.3
135.04324	0.2
137.63057	0.2
143.03412	0.4
159.02959	0.3
160.69746	0.2
161.04456	3.0
176.81247	0.2
185.35294	0.2
191.60439	0.2
249.61191	0.2
255.19656	0.3
263.03677	0.2
316.93631	0.2
399.23883	4.7
400.18991	0.2
400.24225	0.5
417.25134	1.7
418.25656	0.2
459.21686	0.3
462.69342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.88760	1.4
69.03384	1.2
78.95770	2.2
91.07535	1.2
94.26672	1.6
95.75363	1.4
96.95909	1.3
98.94172	1.2
224.96803	1.5
277.21622	1.8
291.19745	8.8
293.17593	3.0
293.66031	1.4
325.20129	6.7
364.62778	1.4
385.23770	2.0
459.27521	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46168	0.1
55.01767	0.6
55.84835	0.2
57.03331	0.8
58.00481	0.5
59.01252	100.0
60.01582	0.9
65.53277	0.1
69.03316	0.2
71.01255	9.5
71.04920	0.2
72.01614	0.2
72.76580	0.1
72.99204	0.5
73.02819	3.0
75.95118	0.1
81.03322	0.2
82.51783	0.2
83.01255	1.7
85.02826	3.7
85.99965	0.2
87.00730	0.8
87.04398	0.8
88.07327	0.2
88.15631	0.2
89.02320	3.9
95.01286	0.8
97.02858	0.3
98.20569	0.4
99.00755	1.1
99.04416	0.5
101.02325	6.7
101.05956	2.0
111.00772	0.5
112.01582	0.3
113.02330	4.3
113.42955	0.1
119.03393	1.5
125.02337	1.1
131.03467	0.3
143.03427	0.7
155.10725	0.2
159.02911	0.3
161.04454	3.3
177.23181	0.2
179.05556	0.7
182.18723	0.2
185.32933	0.2
201.11208	0.2
223.13536	0.2
255.19740	0.8
269.86670	0.2
275.95483	0.2
297.20868	0.7
381.22870	0.4
399.23856	3.6
400.24072	0.3
415.30783	0.3
417.24976	5.5
418.25317	0.5
459.29907	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	459.1875
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
54.40500	1.2
55.01765	3.8
56.79488	1.4
57.03331	3.3
57.66864	1.4
59.01252	89.1
70.92394	3.6
71.01253	38.9
72.99182	2.3
73.02819	17.0
77.72399	1.2
83.01273	8.9
85.02828	19.9
86.00011	1.8
87.00745	2.5
89.02322	12.9
95.01257	1.8
96.95884	2.2
97.02903	1.7
99.00759	10.7
101.02331	30.4
103.03941	1.8
106.04154	2.3
108.02062	5.4
111.00757	2.1
113.02333	15.8
119.03447	2.2
123.04399	10.4
124.01539	1.6
135.04395	1.9
137.02345	9.1
139.07556	4.5
144.70055	1.2
151.03920	10.4
152.04686	7.5
159.02942	1.4
161.04501	5.8
165.09119	89.8
166.09500	4.6
167.03413	1.9
167.07085	1.9
179.03439	2.0
191.05565	2.9
195.02863	2.0
196.03694	21.2
211.06087	11.7
223.09807	2.1
327.14481	89.8
328.14816	7.1
399.31943	1.6
441.14075	1.6
459.18878	100.0
460.19321	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.5
57.03313	0.7
59.01253	19.3
69.03325	2.4
71.01256	7.7
71.04897	0.9
71.15056	0.7
73.02805	2.0
74.33768	0.3
78.82607	0.3
81.03293	0.5
83.01247	0.8
83.04900	0.7
85.02812	2.6
87.00744	1.0
89.02316	7.4
95.01263	0.4
95.04893	0.5
97.02847	0.6
99.00739	0.7
101.02328	8.2
109.06472	0.4
113.02328	3.7
119.03394	2.0
121.02838	1.1
125.02367	0.7
135.04440	0.6
143.03310	0.7
149.04492	0.3
149.09613	0.7
161.04477	3.5
161.13254	0.5
167.10718	3.1
169.25137	0.3
177.12775	0.7
179.05527	1.0
179.10728	2.0
179.14307	3.4
195.13838	10.6
196.14232	0.6
205.12288	9.7
206.12636	0.6
223.13353	100.0
224.13690	6.7
225.42627	0.4
235.08179	0.5
245.85223	0.3
253.09276	24.6
254.09639	1.6
255.06712	1.0
399.23758	0.3
438.81134	0.4
459.22403	3.2
459.27930	0.7
460.22504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03304	0.7
59.01251	12.5
60.01597	0.3
69.03329	2.2
71.01250	5.2
71.04887	0.7
71.36497	0.4
72.83505	0.2
72.99199	0.3
73.02818	1.0
83.01250	0.7
83.04891	0.4
85.02826	1.5
85.06465	0.4
87.00765	0.6
89.02322	4.5
93.03323	0.5
95.01273	0.4
95.04898	0.4
97.02866	0.3
97.06493	0.3
99.04428	0.3
101.02331	5.4
109.06465	0.4
113.02338	2.6
119.03371	1.1
123.08012	0.2
125.02337	0.4
125.09546	0.4
133.04980	0.3
135.11734	0.3
143.03395	0.4
149.09651	0.5
151.19893	0.2
151.33978	0.2
153.09106	0.2
155.87415	0.2
161.04477	2.6
161.13351	0.4
167.10687	3.3
167.20271	0.2
177.03351	0.2
177.12770	0.7
179.05521	0.8
179.10793	1.0
179.14352	3.4
187.11191	0.3
195.13843	9.8
196.14125	0.3
201.53873	0.2
205.12282	9.4
206.12651	0.6
223.13348	100.0
224.13683	6.5
235.08250	0.5
253.09254	16.3
254.09598	0.6
399.23859	0.5
459.22327	2.6
459.29349	0.8
460.23010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1511
Annotation	Paeonolide
Peak:m/z	Relative Intensity
57.03307	0.9
58.00474	1.3
59.01254	68.0
66.00303	0.8
69.03310	1.6
71.01258	51.8
71.57568	1.2
72.01595	1.1
72.99192	11.6
73.02824	34.6
75.00752	1.7
81.03332	1.4
83.01256	3.0
85.02831	6.5
87.00767	1.8
89.02322	71.2
90.02678	0.7
96.95908	1.7
97.02836	1.5
99.00761	100.0
100.01096	2.0
100.27763	0.7
101.02335	14.4
109.99962	0.8
113.02335	12.5
119.03394	1.8
119.04893	0.8
119.67709	0.8
123.04436	7.3
123.71751	0.7
125.02329	9.6
131.03403	19.6
134.03648	6.5
137.02388	1.6
143.03413	6.0
149.04475	76.0
150.04779	1.7
151.03964	1.0
155.03410	6.3
160.01613	1.3
161.04515	6.7
164.04620	1.1
165.05482	5.3
175.03928	2.3
176.04425	0.8
191.05551	46.2
192.05847	1.6
193.05025	8.5
203.05557	22.3
204.39085	0.7
233.06667	13.1
241.52420	0.8
268.71548	0.9
313.68384	0.8
327.10770	0.8
335.09912	4.9
353.11023	1.0
406.38873	0.8
459.14084	4.4
459.20142	1.2
471.90060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57975	0.9
59.00951	1.5
59.01252	27.2
59.07322	1.0
59.41478	0.8
63.75568	0.8
64.42954	1.0
71.01263	2.3
75.00752	1.8
81.51154	0.8
82.02280	0.8
89.02324	2.0
96.95890	3.3
111.00690	0.8
119.04916	1.0
121.02846	100.0
122.03184	3.3
131.13193	0.9
161.42198	0.9
168.69211	1.0
181.06546	5.5
225.05534	7.8
236.05058	1.9
237.05602	1.0
246.54048	0.9
249.05981	1.4
250.06235	1.8
313.07135	19.5
314.07690	1.5
325.20242	2.1
355.15582	1.2
357.06070	4.0
357.11215	2.9
371.12991	0.9
372.13586	3.7
401.08771	61.8
402.09131	6.7
459.27502	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45697	1.8
59.01250	5.8
70.93041	4.3
70.93386	3.5
72.66283	2.0
77.89973	1.9
96.95905	3.1
109.02881	1.9
123.04409	37.6
124.01572	4.6
137.02345	64.5
151.03911	86.2
152.04704	65.7
153.04941	2.1
167.03412	3.5
167.07045	10.8
177.01836	6.1
178.02623	5.9
193.05042	4.9
195.02901	8.3
196.03696	100.0
197.04108	3.9
211.06059	86.6
212.06348	4.6
264.79401	1.8
267.70975	1.9
327.28412	1.9
400.10068	23.5
415.12485	76.8
416.12891	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	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72141	2.8
59.01257	8.8
62.69267	2.4
71.01257	8.8
71.33988	5.0
73.02820	50.8
73.49530	2.6
74.02352	3.1
89.02333	10.4
99.00776	5.8
101.02351	4.1
113.02381	2.6
116.92755	19.8
117.01002	6.0
117.01831	100.0
118.04999	5.2
119.03392	3.2
123.05470	2.4
175.72488	2.6
179.05534	4.7
277.25992	2.2
278.04065	2.5
314.92700	2.3
321.91513	2.6
341.11023	9.8
475.54944	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	458.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	9.4
70.44189	3.6
71.01239	2.6
85.02834	1.9
89.61943	1.0
93.03355	1.2
96.95897	1.3
98.20558	1.1
101.02320	1.3
113.02321	1.4
119.04932	5.9
121.02837	3.3
138.98528	1.6
139.99278	31.2
153.00014	2.5
153.97289	1.1
165.00064	2.1
166.97997	4.7
167.98763	1.4
179.98799	2.8
180.99565	2.9
191.98813	5.8
192.99602	5.4
193.03207	10.6
203.07088	8.2
206.00380	14.6
207.00899	1.4
207.04813	4.2
208.05545	10.6
209.06250	5.2
212.44496	1.3
221.02737	2.3
221.06371	6.7
223.04294	8.0
224.05026	2.1
233.06430	1.6
235.04341	2.1
236.05095	64.2
237.05859	25.9
238.06364	1.8
239.07391	4.8
249.05896	80.1
250.06400	7.0
251.07449	10.9
256.77277	1.4
265.09192	1.0
270.03561	1.4
339.10529	2.0
356.10864	80.9
357.11227	8.0
371.13214	100.0
372.13495	11.5
380.18600	1.5
401.08636	2.2
458.16986	1.4
458.25055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36227	0.7
55.01746	0.9
57.03306	1.3
58.00461	1.3
59.01252	55.9
64.61738	0.7
70.04111	0.8
71.01255	29.4
71.04888	1.8
71.59267	1.1
72.99187	1.6
73.02818	17.4
75.00774	0.7
81.92979	0.7
83.01270	5.1
85.02821	7.0
87.00748	2.0
89.02325	12.4
95.01264	1.6
99.00761	1.8
100.37885	0.8
101.02328	17.8
102.55578	0.9
110.92548	0.9
113.02341	11.8
119.03381	3.5
119.04929	1.4
121.02844	1.5
123.80067	0.8
125.02306	1.5
131.03380	1.0
139.99229	1.1
143.03473	1.1
148.05171	1.2
155.36719	0.9
161.04491	1.4
163.07559	1.1
203.07173	1.0
212.26665	0.9
217.00256	0.8
235.16997	37.6
236.05194	1.9
236.17329	3.5
249.05884	2.5
253.18069	11.1
254.18407	1.0
295.18912	0.9
307.19412	0.9
356.10812	3.4
371.13113	4.3
397.22287	22.6
398.22635	2.5
415.23343	19.0
416.23715	1.8
425.20209	1.1
457.24405	100.0
458.24759	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	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
57.03316	1.0
58.06351	0.5
59.01252	37.9
60.01575	0.6
69.03334	0.7
69.39247	2.9
69.39674	2.0
71.01253	15.6
71.04884	1.3
72.99154	1.4
73.02819	5.7
81.03311	0.7
83.01267	4.0
85.02825	8.4
85.99958	0.7
87.00750	1.9
89.02341	3.3
95.01265	1.9
97.02843	0.9
99.00739	2.0
101.02318	10.0
112.01527	1.3
113.02340	4.4
119.03399	1.0
121.61891	0.6
124.01545	1.0
125.02322	1.5
131.03326	0.5
143.03360	0.7
148.05151	0.8
159.02881	0.6
161.04425	1.4
179.14192	0.6
183.61555	0.5
196.03561	0.5
207.17430	0.6
217.00232	0.9
217.10657	0.8
223.75996	0.6
231.22185	0.5
235.16969	8.3
236.17497	0.6
253.18057	50.4
254.18430	3.6
255.12512	0.6
265.18066	1.7
307.19171	2.6
355.00952	0.6
397.22275	30.0
398.22702	3.7
415.23364	40.0
416.23669	4.8
457.24405	100.0
458.24759	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	457.1717
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
57.03318	0.5
59.01252	100.0
60.01581	1.1
63.69925	0.5
65.07690	0.4
70.37483	0.4
71.01252	10.3
71.01614	0.8
71.59090	0.6
71.59444	0.5
72.99189	0.4
73.02819	4.4
81.03353	0.6
83.01271	1.7
85.02828	3.4
86.25578	0.5
87.00774	1.0
89.02328	4.2
96.95908	2.1
99.00749	6.9
100.50199	0.5
101.02328	6.2
113.02333	4.6
121.02823	0.5
123.04446	0.6
131.03395	0.9
133.02844	0.5
135.04419	0.5
143.03450	0.8
148.05203	46.6
149.05957	2.4
161.04451	4.6
163.03951	1.8
163.07558	47.0
164.07886	2.3
171.62073	0.5
178.06261	1.5
188.60223	0.6
191.05560	1.7
193.08650	2.2
198.46037	0.5
208.92053	0.5
209.40152	0.5
289.16635	0.7
421.20758	4.7
422.21347	0.6
457.17065	7.9
458.17615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41329	0.8
55.01744	1.4
56.51401	0.8
57.03298	1.3
58.00461	3.7
58.12676	0.9
59.01251	79.1
69.03332	8.2
69.30030	1.7
69.30434	8.4
71.01254	74.7
72.01561	1.0
72.99166	2.9
73.02825	11.6
73.17545	0.8
75.00739	3.6
81.03322	5.0
83.01263	5.9
85.02818	8.2
87.00745	2.6
89.02319	100.0
90.02656	2.0
95.01257	2.5
97.02837	12.3
99.00759	14.9
99.04360	1.4
101.02334	14.0
111.00758	2.6
113.02328	6.5
115.03905	8.4
116.88015	0.8
119.03388	2.0
121.06477	11.9
125.02341	50.1
126.02676	2.0
127.03854	1.4
131.03397	9.4
143.03397	3.5
147.04382	1.7
148.05205	58.5
149.04480	10.6
149.05519	1.8
161.04475	3.2
163.03857	2.1
163.07570	16.7
191.05511	7.4
215.05701	1.7
233.06618	35.5
234.06947	2.2
293.08780	19.0
294.09125	1.0
415.16254	1.1
455.51019	1.1
457.17847	2.5
476.18570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.9
57.03318	2.3
58.00467	1.2
59.01252	100.0
60.01590	0.9
68.99683	1.7
69.03323	3.7
71.01254	34.3
71.12536	1.9
72.99181	5.9
73.02821	8.1
78.95741	0.9
81.03337	1.7
82.64331	0.7
83.01248	3.2
83.04913	1.5
85.02824	25.8
87.00755	2.9
89.02320	30.5
93.03349	1.7
95.01259	6.3
96.95873	3.6
97.01774	0.8
97.02830	7.0
99.00755	22.1
99.04382	1.1
101.02320	17.3
108.02028	1.0
108.04487	1.3
109.02805	3.1
111.00774	1.7
111.04373	1.6
113.02333	46.1
114.02731	0.8
115.03921	1.0
119.03384	7.9
123.04410	1.9
125.02312	5.5
127.03938	1.8
129.01851	2.0
131.03391	6.3
134.03653	0.7
135.04329	0.9
137.02324	2.6
139.03938	2.1
143.03432	6.2
149.04462	12.7
149.05717	1.4
153.01778	1.1
155.03395	1.2
161.04459	6.6
173.04449	3.1
179.05530	1.9
185.04523	1.3
191.05528	9.7
192.06017	1.1
195.06569	1.5
215.05539	3.7
217.08708	0.8
233.06696	4.0
235.91449	0.8
252.04294	3.5
253.05048	3.9
277.14456	1.8
293.08841	0.9
322.75015	0.9
397.14978	24.1
398.15485	2.4
415.16006	19.3
416.16458	2.3
457.11111	1.2
457.20911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
57.03325	0.7
57.44388	0.4
58.00457	2.2
59.01251	88.4
60.01589	1.0
69.03329	1.9
69.56663	3.7
71.01254	42.9
72.99184	2.1
73.02819	42.4
75.00735	0.5
81.03326	0.7
83.01259	7.2
85.02824	7.5
87.00771	1.5
89.02318	39.2
95.01270	2.2
97.02847	1.5
99.00759	100.0
100.01119	1.6
101.02322	24.8
113.02332	18.1
114.02668	0.6
114.39674	0.4
115.42742	0.4
117.01938	0.4
119.03393	4.3
125.02342	6.6
130.24232	0.4
131.03398	12.9
143.03398	4.6
149.04462	36.8
150.04805	0.9
155.03433	5.0
161.04477	12.9
162.04770	0.5
179.05479	0.8
191.05542	48.8
192.05864	1.8
193.02484	0.4
203.05542	18.2
204.05844	0.8
221.06709	0.6
233.06598	5.4
265.10794	0.5
283.11783	1.2
293.08911	0.7
415.16083	11.9
416.16336	0.8
457.17117	13.8
458.17316	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	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
57.03315	0.6
58.00460	0.4
59.01251	7.2
60.72765	0.2
60.96309	0.2
71.01254	11.9
71.45189	0.4
72.99184	0.5
73.02819	6.0
83.01257	1.7
85.02827	2.9
87.00768	0.7
89.02323	5.1
95.01253	0.7
99.00759	12.7
100.01119	0.3
101.02320	7.9
113.02334	4.7
118.15464	0.2
121.06494	0.4
125.02303	0.4
130.60030	0.2
131.03423	0.9
143.03394	1.7
148.05211	97.6
149.05743	5.0
150.06483	0.3
159.02892	0.6
161.04477	7.1
163.07564	100.0
164.07916	5.2
191.05554	1.9
293.08878	1.1
325.12918	1.0
437.73077	0.3
457.17126	20.1
458.17380	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	455.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	12.5
65.71485	7.4
71.58530	11.6
78.95767	14.9
86.40779	8.2
141.09108	11.3
153.12744	22.5
165.12762	22.9
181.12265	100.0
197.11705	10.1
199.13393	40.6
215.12877	14.1
231.10034	10.0
255.16249	14.6
297.15497	12.4
334.04779	9.4
338.14197	9.0
363.25323	44.2
379.57111	9.5
381.26465	81.7
402.96408	9.8
416.46909	9.4
455.30307	18.6
455.35388	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	455.3528
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.34461	0.4
53.89779	0.4
54.77959	0.5
69.52589	3.6
69.96519	0.4
77.02880	0.4
83.15473	0.5
85.56428	0.4
92.26058	0.5
108.88226	0.4
117.23190	0.5
129.01846	0.5
134.13091	0.4
154.76118	0.5
197.99599	0.6
407.32990	1.1
455.35291	100.0
456.35626	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
57.03335	0.8
58.00467	0.5
58.87923	0.3
59.01252	16.1
60.01576	0.4
61.56438	0.3
69.03321	0.4
71.01255	13.2
71.59133	0.4
72.99174	0.7
73.02821	6.3
83.01255	2.3
85.02821	4.4
86.40497	0.3
87.00784	0.7
89.02313	5.1
89.02835	0.4
93.03358	0.5
94.51550	0.3
95.01297	0.4
96.95905	0.5
97.02843	0.4
99.00758	11.6
100.01150	0.3
101.02322	9.5
109.02846	0.3
113.02325	5.4
116.98239	0.3
119.03432	0.5
119.04966	0.4
121.02832	3.0
125.02327	0.7
131.03368	1.0
135.04422	0.6
137.02306	0.4
143.03461	1.5
145.85118	0.2
148.05205	97.9
149.05598	5.1
159.02907	0.5
161.04474	7.1
163.07556	100.0
164.07907	4.8
191.05527	3.2
203.05475	0.5
234.13071	0.3
270.08160	0.3
293.08829	1.2
325.12909	1.1
457.17136	20.0
458.17505	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	457.1717
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
50.27792	0.2
55.01757	1.7
57.03326	0.8
58.00464	0.7
59.01253	9.7
59.19166	0.2
69.34457	1.8
71.01254	24.5
72.01582	0.2
72.99175	0.6
73.02819	9.1
75.00759	0.3
81.03338	0.2
81.54913	0.2
83.01266	2.8
84.02065	0.2
85.02823	8.0
87.00732	0.9
89.02323	6.3
91.12973	0.2
95.01270	1.3
97.02831	0.5
98.20500	0.3
99.00761	14.0
100.01082	0.3
101.02325	12.9
102.02673	0.4
113.02330	9.8
114.02661	0.2
121.02840	0.5
121.06485	4.5
122.03667	0.4
122.06836	0.3
125.02371	0.8
131.03394	1.2
143.03409	2.4
147.04449	1.2
148.05205	100.0
149.05751	5.2
159.02905	2.7
161.04466	25.3
162.04825	0.7
163.07556	67.9
164.07889	3.5
174.64531	0.2
191.05554	2.3
191.07132	0.3
203.05577	0.9
205.03554	0.4
293.08694	1.2
325.12814	1.5
415.16019	0.6
457.17151	25.6
458.17566	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	455.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53812	2.7
71.02371	6.3
71.05709	5.3
71.06025	4.9
72.00773	16.4
88.97332	3.0
93.86588	2.9
95.02398	8.2
96.00784	38.8
98.02350	12.4
109.01588	5.8
109.24620	2.9
113.03406	8.0
121.02849	38.0
122.03645	8.9
123.04390	3.4
135.04457	3.0
178.04994	8.9
194.06895	8.6
195.07677	6.6
224.08374	4.1
225.09200	15.3
225.15298	2.9
297.12497	8.1
313.11676	3.3
320.09454	3.8
322.10873	4.9
340.13187	4.3
341.11395	14.5
358.14075	99.8
359.14432	7.9
393.16129	4.2
394.14133	38.8
395.14346	3.7
411.16681	11.6
438.12906	21.9
446.89453	3.1
455.15781	100.0
456.16122	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	455.266
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31715	1.9
63.96110	10.7
66.20115	2.5
68.54422	1.8
68.99677	4.3
78.30328	2.5
79.95587	3.0
80.96404	4.0
81.03329	9.6
90.55404	2.0
91.05403	7.6
93.03341	5.5
95.00742	2.8
95.01254	14.4
95.04896	7.5
106.55702	1.9
107.04908	14.9
108.02086	2.1
109.02847	6.6
109.93122	2.0
109.97962	1.9
119.04923	20.2
121.02856	4.9
121.06479	11.3
122.03628	6.3
123.04405	3.9
132.86392	2.3
133.06464	13.1
135.04417	100.0
136.04747	3.2
137.05988	34.8
147.04361	14.2
150.03149	3.8
150.06784	4.7
163.03940	6.3
179.01633	6.7
180.02454	11.9
180.03999	3.0
182.05765	6.9
212.01419	15.8
212.03183	3.2
226.76408	2.2
261.18677	3.7
275.14948	2.7
293.15884	7.9
294.16541	27.5
295.16864	3.2
326.15543	69.2
327.15762	4.0
455.26981	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	454.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70396	0.7
59.01265	3.2
69.38840	2.9
69.39265	3.2
69.70116	0.5
71.01257	2.8
73.02808	1.7
85.02811	1.8
100.70444	0.6
101.02323	2.3
108.02059	0.7
109.05222	3.4
110.06008	2.4
113.02346	1.7
118.06523	3.7
119.04927	0.8
121.05222	8.3
122.06042	3.7
123.06784	2.4
124.07565	0.9
124.54362	0.6
134.06059	0.7
139.06299	3.1
146.06026	20.6
146.07164	1.4
147.06508	0.6
148.07654	0.6
161.04480	1.8
168.06519	0.9
200.52771	0.6
212.10828	1.1
213.10289	3.5
226.07428	1.2
227.08185	6.4
240.09000	0.9
241.09792	16.0
242.10559	3.0
243.11397	1.0
253.09708	1.3
255.11349	9.5
256.11908	0.8
267.11377	2.4
268.12161	2.9
269.12985	5.4
270.13666	2.6
271.10898	2.2
285.12604	2.2
286.13190	8.9
288.11163	1.9
300.11148	5.1
301.11694	0.9
302.12701	3.6
314.12781	1.8
318.12222	3.9
364.17386	0.8
380.19897	3.7
392.19812	9.6
393.20050	0.7
410.20923	5.9
418.17618	0.6
424.18732	1.4
436.18634	5.3
454.19849	100.0
455.19952	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	454.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00842	1.8
55.01753	4.2
56.63029	1.8
57.03323	4.1
59.01250	52.4
63.85194	1.5
66.26585	1.6
69.28313	3.7
69.28709	18.4
71.01256	61.1
72.99187	2.2
73.02818	19.1
79.51626	1.8
82.30241	1.8
83.01253	9.1
85.02826	29.7
87.00776	2.1
87.91819	1.6
88.07561	7.0
89.02328	13.4
92.04935	100.0
93.05274	2.5
95.01267	4.1
96.95892	8.3
97.02854	2.7
98.19736	3.3
99.00781	8.9
101.02329	48.9
102.05480	1.6
113.02340	26.1
114.05502	6.4
119.03400	5.6
125.02253	2.8
129.01875	2.2
137.02304	1.8
143.03403	3.8
155.11725	1.6
158.58893	1.6
159.02917	6.2
161.04465	34.0
162.25171	1.6
173.12878	27.0
175.71629	1.7
177.10274	12.2
250.12958	26.4
276.10919	7.6
335.18240	62.1
336.18524	4.6
375.27255	1.7
454.20883	2.5
455.22903	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	455.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
59.01251	4.2
71.01257	2.6
73.02818	1.5
83.01273	0.4
85.02810	0.7
87.00799	0.2
89.02325	1.1
89.49146	0.1
93.03342	0.5
96.95892	0.2
98.19837	0.2
99.00759	2.7
99.46005	0.1
101.02326	1.4
113.02334	2.1
119.04916	100.0
120.05253	3.7
120.06134	0.2
123.43851	0.1
125.02325	0.3
131.03427	0.4
143.03433	0.2
154.80505	0.1
160.95622	0.4
161.04477	0.5
191.05559	0.6
200.14790	0.1
203.05441	0.2
215.07030	0.1
281.10309	0.7
293.08768	0.2
323.11313	0.5
368.29474	0.1
395.13300	0.2
411.21219	0.2
413.14505	7.3
414.14957	0.9
455.15463	4.8
456.15952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82737	1.9
57.03323	3.9
58.00473	3.8
59.00949	4.8
59.01253	100.0
60.01588	5.0
61.98687	3.4
62.85053	1.9
64.78455	2.2
65.01969	1.8
69.03346	2.7
71.01256	79.9
71.58181	2.5
72.01604	4.9
72.99186	8.7
73.02821	28.4
83.01257	6.9
85.02825	29.3
86.03172	2.6
87.00732	4.1
89.02321	78.7
90.02650	2.3
93.03334	4.8
95.01266	7.6
96.95864	12.8
97.02834	2.8
99.00761	80.9
100.01103	2.8
101.02322	52.4
102.02688	2.5
109.02836	5.7
110.06032	2.1
113.02333	49.9
114.02670	3.0
119.03378	20.9
121.05233	3.6
122.05994	2.8
123.06760	2.2
125.02318	5.2
131.03406	12.6
137.02333	7.9
142.06519	5.3
143.03465	5.2
146.05988	10.3
149.04472	26.8
160.07585	6.0
161.04498	14.3
179.05544	6.2
190.02138	2.1
191.05537	28.2
212.10608	2.8
227.08215	7.3
233.06557	5.2
241.09749	9.1
255.11401	2.6
269.12979	3.0
293.04694	4.0
300.11237	2.4
314.12695	3.0
321.19229	6.5
322.12994	67.9
322.19092	13.1
323.13071	5.7
342.06992	4.2
343.07144	3.9
344.07346	7.9
392.19934	9.0
412.19199	3.1
436.18793	6.0
448.65540	2.2
453.33432	3.8
454.17548	65.0
454.23975	10.0
455.17764	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	454.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50687	0.3
59.01249	4.1
59.19220	0.3
68.62068	0.3
70.99250	0.8
71.01249	1.4
72.91300	0.3
73.02798	0.3
75.75185	0.3
85.02825	0.5
93.03365	0.4
96.95894	18.0
97.95782	0.7
98.95490	1.6
101.02309	0.4
108.04391	0.5
109.05231	2.3
110.06027	1.6
118.06520	4.7
119.04882	0.4
121.05235	10.3
122.06023	4.1
123.06823	3.5
124.07598	0.4
125.02344	0.6
125.12727	0.4
134.03648	0.5
134.06041	0.5
136.07581	0.4
138.05531	0.6
139.06267	1.6
144.04462	0.4
146.06023	22.8
147.06392	1.0
148.03940	0.5
150.05502	0.8
151.03896	0.4
168.06615	0.6
179.05721	1.1
190.07379	0.7
193.04987	0.6
198.09273	0.4
199.08624	0.5
212.10762	3.4
213.10248	2.1
216.05405	0.5
225.10210	0.5
226.07465	3.0
226.12326	1.7
226.15137	0.5
227.08220	19.5
227.11757	0.7
228.08539	1.9
239.08252	0.8
240.09009	1.2
241.09796	23.7
242.10445	5.3
243.11197	0.6
251.09329	0.4
253.09824	1.8
254.10515	1.1
255.11386	15.3
256.11835	2.0
257.12943	0.5
267.11417	1.5
268.12137	3.7
269.12939	8.4
270.13770	3.4
271.10880	1.6
271.14276	0.6
285.12384	0.6
286.13202	3.3
288.11087	1.9
292.16232	0.5
295.10822	0.5
299.10309	0.7
300.11084	5.6
301.11627	0.5
302.12708	4.2
313.11954	1.0
314.12711	2.7
315.09650	0.4
318.12357	1.9
322.19510	0.4
330.16626	0.4
348.13409	0.4
349.19473	0.4
364.16895	0.7
365.17075	0.4
371.55347	0.4
380.19800	3.0
392.19821	9.7
393.20068	1.3
410.12024	0.9
410.20868	3.8
418.17929	0.7
424.18723	1.9
436.18750	10.3
437.19238	1.0
454.19833	100.0
455.20215	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	453.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	5.5
57.03315	3.8
58.00458	2.4
59.01253	47.2
69.03332	1.4
69.45458	7.8
69.45865	2.9
71.01255	57.5
72.01553	1.8
72.99174	3.0
73.02820	27.8
75.00760	2.5
81.03378	1.0
83.01261	14.1
83.04921	1.4
85.02824	26.6
85.99984	1.5
87.00758	3.8
89.02324	13.3
95.01259	4.0
96.95890	53.9
97.02816	2.7
98.20571	2.0
99.00760	14.5
101.02324	50.6
109.02861	2.0
110.06017	1.3
111.00784	3.7
113.02333	22.1
118.06516	2.1
119.03391	1.9
121.05235	2.7
122.06041	1.5
125.02326	2.8
129.01802	2.8
131.03404	2.4
135.04440	2.1
140.43120	1.0
141.01855	1.2
143.03406	2.7
145.08618	2.9
146.06042	10.4
146.09213	1.1
149.04492	1.3
151.03944	2.7
159.02921	5.8
159.13858	1.3
161.04485	21.5
165.01904	1.1
171.10258	1.3
179.03484	1.5
179.05655	1.2
189.06923	1.1
191.05646	2.6
200.73648	1.1
205.03413	1.3
225.14793	1.4
226.12616	1.1
227.08124	5.2
237.71381	1.3
241.09834	7.5
255.11365	5.5
268.12109	1.4
270.13629	1.5
291.16031	1.2
300.11032	1.9
302.12787	1.2
321.19171	89.0
322.19574	6.3
329.16171	1.4
379.02411	1.1
380.19702	2.0
392.15155	1.2
392.19791	5.5
409.11661	2.0
410.21332	2.0
436.18826	6.7
453.23483	100.0
454.19229	24.8
454.25146	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	453.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56947	26.7
71.58233	33.4
78.71060	24.1
81.93688	25.5
94.98570	28.6
112.03801	25.3
139.59827	26.9
151.65315	25.7
181.12392	29.1
203.09950	27.9
222.32150	27.6
261.14987	34.9
296.04135	28.1
379.19205	100.0
380.18878	31.8
455.05060	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	453.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.6
56.76819	1.3
57.03319	3.2
58.00462	1.2
59.01253	48.2
59.15366	1.3
61.98711	1.6
66.06738	1.4
71.01254	54.3
71.58268	1.7
72.58477	1.1
72.99185	5.0
73.02822	29.7
73.81724	1.2
75.89249	1.4
83.01257	13.8
85.02829	29.9
85.99976	2.5
87.00759	2.9
89.02325	14.0
95.01279	3.6
96.95892	50.8
97.02818	2.5
99.00764	14.1
99.07990	1.2
101.02326	56.4
109.02868	1.8
111.00789	4.8
113.02335	21.5
118.06524	2.7
119.03427	2.2
121.05244	4.1
122.06021	2.4
123.06786	1.6
125.02305	2.0
129.01898	1.5
131.03482	2.1
135.04428	2.5
143.03394	2.7
145.08649	3.4
146.06035	11.6
149.04504	1.9
151.03955	1.8
151.20615	1.2
153.01894	1.4
153.09401	1.2
159.02953	7.0
161.04491	19.2
171.10181	2.0
178.51418	1.4
179.03412	2.9
191.05580	3.5
194.05832	2.1
205.03458	2.0
209.08092	1.3
212.10762	1.5
223.78120	1.4
225.15016	2.5
226.07533	2.5
227.08238	8.3
232.57529	1.4
236.45464	1.4
236.84145	1.5
241.09816	9.7
243.03233	1.3
255.11449	4.9
269.13016	5.2
300.11319	1.9
302.12805	1.5
321.19162	86.9
322.19385	6.1
329.16412	1.7
380.20163	2.1
392.19873	8.8
407.25165	1.2
409.11902	1.7
410.20935	3.9
424.19141	1.7
436.18930	10.4
453.23563	100.0
454.19250	29.4
454.25214	2.9
476.58142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.25344	5.3
69.23618	10.3
69.24026	58.4
71.01266	33.2
73.02825	24.9
83.01215	8.3
85.02817	17.9
89.02314	25.4
94.53374	5.2
96.95889	14.1
99.00761	27.3
101.02302	22.5
111.08013	12.8
113.02299	16.6
116.04908	5.7
117.90176	5.2
125.02316	6.4
146.05975	8.3
149.04428	10.7
151.03896	8.2
160.03928	10.2
161.04518	12.5
173.08041	16.2
179.03314	7.0
180.04204	7.2
191.05544	12.5
194.05782	10.8
195.06593	8.8
209.08145	16.6
212.54633	5.7
235.11826	20.3
243.24591	6.5
268.96594	6.4
289.07065	7.2
318.89130	5.8
334.09235	7.6
367.15964	15.6
409.16891	31.3
453.19324	25.1
454.19727	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45386	0.8
57.03324	15.6
59.01273	1.0
62.42337	0.9
62.72643	0.8
65.00192	2.3
69.70947	5.1
83.01253	1.4
109.62936	0.9
120.27632	0.9
124.01548	37.3
125.02431	1.7
137.02376	1.5
139.03931	2.0
148.01532	3.7
150.03105	4.1
165.05484	2.2
168.05289	0.9
171.10249	1.7
176.01068	29.7
177.01540	1.8
177.12747	2.1
191.03424	45.8
191.07106	1.6
192.03665	2.4
192.07838	0.9
193.01729	1.4
193.15881	7.1
195.01360	1.0
202.91638	0.8
217.15965	2.4
219.13831	1.8
261.14948	100.0
262.15256	7.4
287.12665	1.1
313.14520	2.7
435.18143	1.0
453.19101	7.4
454.19400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55328	0.5
53.46104	0.4
55.01754	2.1
57.03318	1.9
58.00475	1.1
59.01252	100.0
60.01583	1.0
69.03317	0.8
71.01254	32.6
71.58559	0.4
71.58967	0.7
72.99189	1.6
73.02820	19.2
75.00752	0.9
81.03342	3.4
82.03670	1.4
83.01264	6.4
83.04897	8.9
84.05229	3.0
85.02821	14.5
85.99979	0.5
86.03171	0.5
87.00735	2.3
89.02314	10.1
93.03359	0.6
95.01283	2.6
96.95883	6.7
97.02826	1.8
99.00762	10.9
101.02325	27.8
102.02644	0.6
108.04477	0.7
109.02838	2.3
110.03149	1.1
111.00790	0.7
112.01574	1.2
113.02336	13.9
119.03367	1.3
123.04409	1.2
125.02335	1.9
125.07055	0.9
129.01869	0.8
131.03400	2.3
133.06482	0.6
137.02284	0.5
143.03381	1.8
147.04443	0.5
149.04459	1.8
151.03909	0.7
159.02885	2.8
161.02422	1.0
161.04449	10.6
161.05789	0.5
165.01802	0.6
171.10149	1.3
177.01831	1.5
178.02213	0.8
179.02321	0.9
189.01866	3.3
190.02254	2.8
191.02214	2.3
191.05505	1.7
195.06506	0.7
205.03638	0.7
208.15192	0.7
213.11278	1.1
217.01161	1.7
218.01625	2.1
219.01787	0.8
220.03296	0.5
221.03506	0.7
224.17519	0.6
225.15953	1.3
225.17982	0.8
226.16418	2.3
227.16544	0.4
233.03476	0.7
261.13364	2.0
279.14490	28.4
280.14752	1.6
311.08273	0.5
321.15405	2.4
321.19061	2.6
322.12854	2.8
325.26938	0.6
334.23251	0.9
341.06485	2.3
342.07104	4.2
343.07202	10.6
344.07410	1.0
353.15768	0.5
392.19559	1.0
393.17529	1.5
411.18719	41.5
412.18927	3.4
434.32083	2.3
435.32239	1.3
452.33212	30.7
453.10965	3.0
453.19504	29.0
453.33401	21.1
454.19431	3.1
454.33539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2131
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01756	1.6
57.03326	1.1
58.00455	1.2
59.01250	100.0
61.98682	1.1
69.03335	2.6
69.45294	7.2
71.01254	54.7
72.99178	2.2
73.02820	61.2
74.03152	1.2
75.00729	0.8
76.70867	0.7
83.01257	20.5
85.02832	5.2
85.80717	0.7
87.00770	1.8
89.02316	12.5
93.03334	0.9
95.01276	1.6
96.95901	1.4
97.02851	1.7
98.19796	1.2
99.00755	1.6
99.04353	0.7
101.02323	60.4
102.02669	1.5
104.67957	0.8
113.02325	14.6
119.03391	4.6
125.02366	2.7
128.03426	1.8
131.03365	5.5
137.02321	1.1
143.03357	4.4
149.04469	4.3
155.03444	1.7
159.08047	0.8
161.04451	10.6
171.10231	0.8
179.93916	0.7
187.14824	8.8
205.12302	1.0
217.05145	0.7
231.13853	61.3
232.14122	4.7
249.11385	1.7
249.14969	1.8
261.08725	0.9
393.19278	2.5
411.20407	1.5
453.21243	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	451.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16077	0.2
58.02815	0.3
58.75101	0.2
59.01249	2.5
69.45514	1.4
69.45930	0.6
71.01223	1.0
72.77878	0.3
73.02807	0.4
73.90051	0.2
75.00722	0.8
80.04919	0.5
81.03332	8.8
83.04898	27.6
84.05227	0.6
89.02291	0.8
91.01762	0.5
93.03340	0.6
95.01227	0.2
95.04893	0.4
96.95906	0.3
99.00732	0.3
101.02302	0.6
103.05421	0.3
107.06010	0.5
108.02036	0.4
108.04403	1.0
109.02837	10.8
110.03149	0.6
113.02342	0.4
117.03296	0.5
119.04894	0.6
121.02846	0.6
122.03628	0.3
123.04417	6.3
125.02321	0.3
125.07104	3.4
126.05474	0.8
133.02863	1.9
137.02232	0.3
143.08171	2.0
145.02821	0.8
147.04379	1.5
149.02315	0.5
149.46591	0.3
150.03067	0.5
151.03944	2.9
159.04370	0.5
161.02348	3.2
161.04326	0.2
162.02998	0.4
163.03871	0.7
165.01671	0.2
166.12299	0.3
168.00447	0.3
176.01071	0.3
177.01855	9.6
178.02191	0.5
187.03883	0.8
189.01860	24.8
190.02591	5.4
191.03375	4.8
191.05431	1.1
192.03838	0.3
192.05862	0.4
193.06033	0.3
203.03412	3.0
204.03818	0.3
207.14958	3.6
208.15218	0.3
216.00577	3.9
217.01373	16.5
218.01874	1.6
219.00902	0.4
219.02943	6.5
219.05031	0.3
220.03334	0.4
224.17627	5.1
225.16045	12.6
226.16309	0.7
231.02960	5.1
232.03368	0.5
233.04472	0.3
242.18747	1.9
268.16608	0.5
269.59552	0.3
281.04565	0.3
289.07080	0.9
290.22382	0.4
299.05487	0.3
306.22000	0.3
309.21722	0.6
323.05563	0.6
324.26505	2.1
333.22971	4.7
334.23203	0.5
339.27646	0.3
341.06638	45.1
342.06985	5.6
351.23978	1.0
367.27118	1.1
385.28146	0.6
391.23434	0.6
406.30594	0.3
433.31793	5.8
434.32141	1.0
451.10403	6.6
451.32901	100.0
452.10657	1.2
452.33228	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	452.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03309	0.4
59.01253	100.0
60.01591	1.2
61.98710	0.3
62.03831	0.3
69.03342	2.0
69.03638	0.3
71.01257	3.5
72.01566	0.4
73.02837	1.3
83.01264	0.7
85.02412	0.3
85.02831	1.9
86.53669	0.3
87.00741	0.3
88.69590	0.3
89.02336	1.3
93.03355	1.4
94.03664	0.5
95.01297	0.3
96.95903	0.6
99.00776	0.6
101.02342	2.0
113.02352	1.4
121.02856	0.4
125.02336	1.3
126.02679	0.5
135.04433	0.5
137.02371	1.1
138.02713	0.6
142.30081	0.3
143.03365	0.4
149.99492	0.8
157.06514	1.6
158.06898	1.6
159.02940	0.4
161.04480	0.8
168.00589	0.7
169.00929	0.6
173.04501	0.5
179.83626	0.3
180.76587	0.3
185.00883	1.2
188.10750	1.9
191.05576	0.7
192.06009	0.4
229.72931	0.5
256.15314	0.4
311.40857	0.4
332.14938	2.2
333.15433	0.3
350.16129	0.6
392.17068	0.3
452.09360	1.9
453.09488	0.4
453.21973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2785
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
59.01248	0.5
71.16906	0.9
77.21464	0.3
78.95780	18.0
86.07933	0.4
121.99966	0.7
140.01076	4.7
152.99477	1.1
196.03731	8.5
214.04773	2.4
255.23274	100.0
256.23615	8.6
392.18457	0.4
452.27832	20.4
453.28098	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	453.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17346	0.3
59.01230	0.4
69.21813	0.6
69.22223	3.5
71.01241	0.3
77.18309	0.3
78.95774	95.7
85.02823	0.4
90.98470	0.3
96.95890	4.3
101.40770	0.3
108.68228	0.3
110.98412	100.0
111.98758	0.6
113.36436	0.3
168.97173	0.3
175.02332	0.4
194.59508	0.4
341.11014	0.4
453.10376	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.8
56.99151	0.6
57.03324	2.8
58.00481	0.8
59.01253	100.0
60.01571	1.4
60.99178	1.7
67.01759	3.2
68.02100	0.7
69.03350	1.0
69.18414	0.6
71.01259	27.3
71.58072	1.1
72.99182	1.4
73.02823	21.0
75.00742	0.8
76.34040	0.6
81.03331	0.9
83.01256	6.6
85.02824	13.6
85.99953	1.0
87.00750	6.0
88.01118	0.9
89.01159	0.8
89.02325	5.6
91.34220	0.7
93.03337	16.5
94.03673	5.9
95.01277	2.1
95.03892	1.3
96.95896	1.1
97.02857	2.0
99.00764	6.7
101.02328	28.7
102.02643	1.3
109.02846	1.2
111.00793	1.4
111.04453	2.3
112.04736	1.0
113.02326	10.9
117.28643	0.6
125.02335	1.7
129.01840	1.2
131.03426	2.7
133.02875	0.8
134.03661	1.4
135.04408	2.6
136.04756	1.5
137.02357	0.8
143.03429	1.3
155.03490	0.6
159.02960	1.8
161.04451	6.4
166.77519	0.6
167.54195	0.6
173.04489	10.5
174.04819	5.9
175.04964	4.7
177.01907	1.2
179.03505	0.8
189.01797	0.9
191.05525	3.2
192.05959	0.9
211.13434	0.7
231.10251	1.4
259.15649	2.3
262.21844	0.7
268.67160	0.6
271.98633	0.7
275.09515	1.0
276.09543	0.9
277.10083	1.0
277.16574	30.1
278.17038	2.0
319.17694	2.6
321.15707	0.8
341.06857	1.6
391.19928	1.7
409.20795	37.9
410.21280	3.4
451.15289	8.4
451.22034	29.8
452.22495	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	451.2338
Annotation	Melissoidesin C
Peak:m/z	Relative Intensity
53.81043	1.9
53.87421	2.0
59.01241	10.3
67.70077	2.1
70.24737	7.9
71.01264	7.6
80.96395	100.0
84.02051	2.3
96.95891	8.2
99.00761	33.1
99.13815	2.0
104.85273	1.9
108.02066	2.8
121.02800	2.6
122.03612	2.2
125.02356	2.5
127.11156	3.2
135.04427	7.2
137.09633	3.0
144.00583	3.1
147.04451	5.0
149.02306	2.7
151.03915	28.1
161.06001	4.6
165.05467	2.4
173.05989	2.8
175.07581	3.3
177.05527	3.3
189.01926	2.1
189.12767	2.2
191.14336	3.5
193.15913	2.8
205.12297	3.0
227.12804	6.6
259.68295	2.1
273.22290	3.1
285.22177	16.9
301.18375	2.6
301.21542	3.0
317.21158	10.9
319.19492	2.6
319.22592	11.2
329.21182	20.4
333.20645	8.0
335.22324	9.1
342.49948	2.2
345.20621	7.6
347.22263	61.7
347.26498	3.4
348.22595	7.8
361.20197	6.6
363.21680	13.7
371.22531	4.4
373.20200	86.7
374.20593	9.5
385.20236	3.7
389.23370	5.7
391.16470	4.1
391.21283	34.9
392.21768	2.8
403.21280	28.6
407.24509	5.1
415.21170	11.6
433.21918	15.9
434.22849	4.9
451.24249	58.6
452.09625	2.5
452.23877	4.0
464.64569	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	451.1244
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03318	3.1
59.01250	3.2
71.01237	1.6
71.37859	2.2
81.90590	1.2
83.01250	4.7
85.02812	4.2
93.03333	2.0
95.04894	2.6
96.95892	30.7
97.02839	5.1
107.61391	1.7
109.02834	20.0
110.19875	1.2
121.02826	3.7
123.04399	13.0
125.02338	25.9
135.04410	2.7
137.02339	43.3
139.03894	2.7
145.02840	1.5
146.06712	1.2
149.02368	8.3
150.03099	5.0
151.03940	14.6
159.04404	2.6
161.02345	2.8
161.05954	3.3
164.00935	3.1
165.01845	4.1
174.03134	1.5
175.03871	2.9
177.05635	1.5
179.03394	5.3
187.03882	2.9
188.04688	2.3
191.05551	24.1
195.75813	1.6
203.07034	11.8
205.05005	5.0
221.08040	2.2
245.08162	12.2
271.06027	4.6
289.07193	100.0
290.07455	7.0
313.06863	3.1
353.08585	3.3
409.25720	1.5
451.12192	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	451.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18315	14.9
55.38840	17.8
57.53978	13.7
59.01242	44.1
80.96395	79.5
82.24786	14.9
96.95893	89.5
116.92751	100.0
117.01802	31.4
135.04375	31.2
150.16606	15.3
171.10162	33.3
207.10182	22.3
213.11229	15.6
256.53009	17.1
290.48254	18.0
353.10287	50.7
373.23242	17.4
415.25421	24.6
433.26117	41.9
451.19879	26.5
451.26938	22.7
451.33643	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	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.2
59.01232	0.9
71.35490	1.4
73.54721	0.7
81.03336	2.6
83.01250	3.6
85.02813	1.7
86.63155	0.7
93.03333	2.3
95.04899	3.5
96.95888	6.2
97.02833	5.5
109.02833	23.1
111.04458	1.0
114.84800	0.8
121.02847	4.1
123.04415	15.1
125.02350	16.2
135.04436	1.3
137.02345	16.5
137.03329	1.6
138.02950	1.0
139.03908	4.0
145.02831	1.0
146.03629	1.8
149.02344	5.0
150.03166	1.2
151.03929	10.8
159.04387	2.3
160.05164	1.8
161.02280	1.3
161.06009	4.3
162.03061	1.9
164.01060	3.0
165.01799	3.9
167.03407	2.8
175.03932	3.4
175.07529	1.5
179.03409	6.5
184.73657	0.8
185.05916	0.9
187.03964	5.0
188.04718	3.8
191.05539	3.5
199.07475	1.0
202.06299	2.5
203.07083	16.4
205.05014	9.7
209.03024	0.9
221.08136	3.3
227.07094	2.4
245.08171	18.4
246.08459	1.0
247.06041	1.3
251.56851	0.7
252.62820	0.7
289.07193	100.0
290.07574	6.7
366.80112	0.8
387.75192	0.9
451.12769	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	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
65.00197	0.4
77.03797	0.3
77.97807	0.3
81.03354	0.3
83.01273	0.3
85.02849	0.3
89.03856	0.4
91.01767	0.7
93.03323	0.5
95.04893	1.5
96.95891	0.6
99.18118	0.3
101.02280	0.4
103.05387	0.6
103.65749	0.2
105.03326	0.6
108.02023	0.9
109.02837	25.8
110.03174	0.7
117.03343	1.3
119.04905	1.5
121.02838	1.1
122.03630	0.8
123.04410	12.7
124.04790	0.4
133.02849	4.5
134.03612	0.4
135.00755	0.4
145.02853	1.4
147.04433	4.1
149.02391	0.8
150.03096	1.0
151.03914	6.0
152.04311	0.3
159.04408	1.5
161.01060	0.5
161.02350	6.9
162.03079	0.8
163.03889	0.8
175.03899	0.7
176.01083	0.9
177.01855	22.6
178.02174	0.7
187.03943	1.6
188.01186	0.4
189.01863	56.1
190.02609	12.2
190.37428	0.3
191.03430	11.4
192.03720	0.4
201.01883	0.6
203.03432	6.0
216.00584	8.1
217.01366	35.8
218.02005	3.2
219.02933	14.2
220.03255	1.0
220.37259	0.3
229.08504	0.4
229.62082	0.3
231.02959	10.6
232.03632	1.2
233.04410	1.1
240.15292	0.3
245.08202	0.3
253.15352	0.3
255.06622	0.4
268.40921	0.3
281.04602	0.6
289.07141	1.6
297.07599	0.5
305.04645	0.3
323.05371	1.5
327.05081	0.5
330.88754	0.3
341.06647	100.0
342.06964	8.3
342.11148	0.3
409.08578	0.3
451.10358	17.6
452.10626	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	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64003	0.7
70.56665	1.5
70.57056	1.3
78.04495	0.9
89.19691	0.7
95.04922	0.9
103.16771	0.7
109.02846	21.5
109.03600	1.0
117.03268	0.8
119.04870	1.3
121.02812	1.6
123.04413	10.6
133.02888	3.9
134.03651	1.1
135.04439	0.7
137.02345	1.5
141.22568	0.7
145.02872	1.4
147.04420	2.5
149.02274	1.3
150.03152	1.4
151.03902	6.2
159.04492	0.9
161.02332	5.9
162.03116	2.0
163.03902	2.9
168.57709	0.9
177.01857	25.9
187.03952	3.2
189.01872	43.4
190.02631	11.8
191.03432	7.1
203.03419	3.9
216.00574	6.0
217.01373	30.2
218.01868	3.1
219.02954	12.0
220.03265	0.8
229.08632	0.8
231.03020	9.1
232.03732	1.2
281.04590	4.0
287.05545	0.7
289.07233	2.1
297.07645	2.6
299.05688	5.5
323.05548	1.1
341.06671	100.0
342.07071	7.8
346.56705	0.7
422.68945	0.7
451.10300	14.0
452.10812	1.1
472.06381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58756	0.3
59.01261	0.5
70.92072	0.5
70.92445	0.6
78.95776	5.0
96.96329	0.3
110.98422	3.5
167.01065	1.6
185.02089	3.0
211.49522	0.3
215.57886	0.3
280.72723	0.3
281.24854	100.0
282.25232	9.3
365.63065	0.3
449.26724	4.7
450.27225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.291
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
52.05163	0.9
57.03325	2.8
59.01247	6.3
65.03831	2.0
69.03327	3.7
69.81544	0.9
70.16360	2.1
70.16758	2.3
71.01273	1.0
73.02779	1.0
73.16840	0.9
78.95785	2.7
79.05407	1.6
81.03342	4.2
83.04890	8.5
84.29339	0.9
85.06525	1.1
91.05431	1.1
93.03339	10.7
95.04921	5.2
97.06474	9.6
98.19733	0.9
107.04888	2.1
109.06483	5.2
111.08059	5.2
111.36805	0.9
119.04916	6.6
121.06485	2.9
123.08039	4.8
124.21457	0.9
125.09619	13.6
133.06485	2.6
135.04419	1.8
135.08031	4.4
137.09648	4.6
145.89093	1.1
147.08081	1.3
149.09601	4.5
152.99489	1.2
153.09111	1.8
157.10112	1.5
159.11667	1.5
161.09677	1.4
167.10651	0.9
171.10133	2.1
175.11224	4.0
177.12813	2.5
185.13322	1.0
187.11179	1.3
187.14922	1.2
189.12827	3.4
201.12848	1.2
203.14389	7.5
205.12273	1.8
213.12752	6.0
218.77208	0.9
229.12378	1.3
229.15964	1.5
231.13890	16.5
233.15480	2.6
235.17059	2.1
237.14941	1.9
245.15472	8.8
247.17026	3.9
263.16528	70.0
264.16827	3.6
265.18176	1.0
266.15204	1.8
279.15762	1.7
282.36731	0.9
329.65628	1.0
367.22913	1.2
399.25220	1.6
417.26462	7.1
431.28262	5.7
449.29071	100.0
450.29401	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	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39779	0.3
55.42101	0.4
59.01244	0.7
61.59356	0.3
66.47157	0.4
74.68251	0.4
78.95777	6.2
79.92093	0.4
98.19671	0.6
105.58119	0.4
109.02848	0.5
110.98421	4.4
118.20332	0.4
121.06470	0.4
122.06869	0.5
141.32381	0.4
149.04854	0.6
149.05995	9.2
150.06334	7.1
151.06549	2.0
152.99487	0.8
167.01085	2.2
179.41299	0.4
185.02124	3.3
281.24857	100.0
282.25226	8.9
302.94144	0.4
376.38504	0.4
448.35358	1.8
449.26724	5.5
449.35410	7.6
450.27283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
55.45539	0.6
56.65965	0.5
57.03321	1.7
58.00466	0.7
59.01252	100.0
60.01588	2.3
61.01683	1.5
69.03332	0.5
69.87223	3.1
71.01255	15.9
72.99170	1.7
73.02826	3.5
75.00741	0.6
81.03339	1.0
83.01241	2.8
85.02828	7.9
87.00765	2.0
89.02319	10.3
95.01265	1.3
99.00776	1.8
99.04429	0.9
101.02321	9.3
109.02837	1.4
113.02335	7.3
119.03394	5.4
119.04864	0.8
121.02803	0.6
123.04385	0.7
125.02342	6.4
135.04425	1.8
137.02373	0.9
143.03401	1.6
149.02408	0.9
149.04434	0.6
151.00313	1.7
159.04448	2.0
161.02388	1.5
161.04474	6.7
167.03441	1.3
172.05168	0.7
173.04530	1.3
173.06001	0.8
175.07664	1.1
177.01904	0.9
179.05588	2.5
187.07585	2.7
191.02007	0.8
191.05548	4.0
200.95724	0.5
203.10851	0.9
213.09230	1.0
213.69757	0.6
215.07184	0.7
225.05580	1.3
225.09187	1.3
225.14856	0.6
227.07126	5.9
231.10260	1.9
243.74472	0.6
257.08170	1.4
259.06061	2.6
269.04907	3.5
269.08115	5.2
270.04810	0.6
275.09235	6.3
287.05710	3.9
287.09305	7.7
287.18451	0.6
288.09442	0.6
329.06595	0.7
336.53690	0.6
389.17487	0.8
389.21902	9.6
403.20068	0.7
405.18994	0.6
407.23138	1.3
407.60086	0.6
449.10892	1.8
449.20374	2.0
449.24622	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	449.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	29.3
61.20800	2.9
64.86972	3.3
64.99828	3.2
69.49072	8.0
69.49479	20.5
71.01257	6.0
72.42549	3.8
78.95775	10.2
80.96396	14.5
82.43146	3.1
83.44347	3.6
85.02833	4.4
88.43431	3.5
93.03328	14.7
96.95900	5.6
99.00742	16.5
109.02762	3.4
114.78879	3.1
121.02887	5.9
123.04408	4.8
125.02345	5.8
126.73736	3.8
135.04410	10.2
141.17287	3.0
143.68094	3.6
147.04457	4.7
149.02309	5.2
149.05945	6.5
151.03873	9.9
159.04497	4.3
161.06013	6.8
161.09726	3.4
163.03928	9.1
173.02284	4.8
173.04561	16.2
175.03836	3.7
187.07642	4.2
191.03563	5.7
191.05507	10.0
191.14160	3.4
203.03421	3.8
211.13336	5.8
212.13699	3.9
215.14458	4.2
263.12738	4.3
275.09262	5.5
283.20660	14.0
299.20291	3.6
309.18350	5.7
315.19534	4.0
317.21219	8.2
327.19629	29.8
331.19196	4.5
332.12585	8.2
333.20816	4.9
345.20645	38.4
357.20612	5.9
361.20078	5.5
369.20712	4.9
371.18616	100.0
372.18842	7.0
383.18591	7.0
387.21814	4.2
389.19778	16.4
401.19675	20.1
405.22787	3.8
413.19531	13.1
431.20734	17.8
449.15164	7.7
449.21698	26.1
450.22198	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59623	4.2
55.41389	3.1
59.01251	26.2
62.89695	3.2
71.01270	5.6
71.59184	6.0
78.95774	26.6
80.34219	3.4
80.96381	7.5
82.39740	3.4
90.09598	3.3
93.03320	8.3
96.95928	4.8
99.00755	15.2
113.02339	4.9
121.02859	7.6
135.04366	9.2
137.02306	4.1
139.07500	4.4
147.04398	8.0
149.05954	4.6
151.03909	7.0
161.05988	6.9
162.35915	4.1
163.03932	6.7
173.02347	3.7
173.04474	13.2
177.01842	6.8
189.12767	4.5
189.15729	4.1
191.05530	7.0
203.03453	4.0
211.13403	5.7
212.13693	6.0
272.53949	3.7
283.20746	17.5
292.13367	4.7
298.56570	3.8
317.21188	12.3
318.10931	4.3
327.19659	29.0
331.19162	3.6
332.12637	5.1
343.19070	6.5
345.20822	39.7
361.20285	8.9
369.20908	4.7
371.18628	100.0
372.18881	13.3
389.19913	11.3
401.19702	20.7
413.19589	14.8
431.20615	16.2
432.20840	4.6
449.15729	5.7
449.21774	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
56.10877	0.3
57.03308	0.8
59.01253	100.0
60.01583	1.1
69.82572	1.4
69.82980	0.8
71.01257	8.9
71.04923	0.8
73.02829	2.8
80.36115	0.3
81.03358	0.3
83.01266	0.8
85.02821	4.1
85.03202	0.3
87.00788	0.5
87.13781	0.4
89.02313	4.1
93.03368	0.7
95.01266	0.7
99.00766	1.0
99.71978	0.4
101.02328	7.1
108.08583	0.3
111.00779	0.5
113.02328	4.8
119.03404	1.7
125.02326	0.9
131.05991	0.3
137.09612	0.4
139.07574	0.5
143.03406	0.6
151.00284	0.6
153.09119	0.9
155.10675	3.1
159.02924	1.6
161.04474	9.0
162.04840	0.4
173.04506	0.8
179.05580	0.7
185.05905	0.5
187.07573	0.6
189.11784	0.3
191.05573	2.9
196.58286	0.4
205.03467	0.4
227.07088	3.7
227.16492	7.5
228.07506	0.6
228.16916	0.6
231.10208	0.6
275.09207	2.0
287.06061	0.4
326.86688	0.4
389.21841	7.0
390.21912	0.8
407.22412	0.7
433.20935	0.7
449.24081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.9
57.03316	1.8
57.28905	0.6
58.00462	1.1
59.01251	19.0
60.99180	2.0
64.29640	0.6
67.01771	5.8
69.03329	2.3
69.43824	2.0
69.44239	3.9
71.01249	10.4
73.02831	3.0
81.03339	1.0
83.01271	1.4
83.04907	2.0
85.02814	4.7
87.00748	8.7
89.02320	6.8
93.03336	38.2
94.03709	1.5
95.01279	0.9
95.04910	1.2
97.06474	3.9
99.00753	1.3
101.02327	8.5
105.03365	2.0
109.02845	3.5
111.00693	0.7
111.04394	7.0
111.60326	0.8
113.02360	3.9
115.03911	0.8
115.91741	0.7
117.03297	0.7
119.03401	1.5
123.04427	3.0
125.02361	1.0
125.09626	0.7
129.01793	1.5
133.02823	4.8
134.03629	12.1
135.04431	4.3
137.02359	1.7
143.03400	1.0
151.03964	0.9
151.11176	16.8
152.11546	1.0
155.03400	2.6
160.01537	1.1
161.02324	1.7
161.04492	3.1
162.03091	3.7
169.12251	100.0
170.12616	4.6
173.04463	37.4
175.03917	1.1
177.01839	3.4
178.02553	1.0
191.05544	13.2
195.10222	3.5
199.03958	1.3
213.05565	1.1
213.09210	1.2
213.11252	22.6
214.11729	1.1
217.01411	0.8
227.03427	2.9
228.04103	2.0
231.10214	8.7
242.02068	0.9
243.02858	3.6
253.09277	7.7
255.02946	14.7
256.03638	5.3
257.04462	2.7
257.08167	1.5
269.04483	1.9
275.09259	21.3
276.09607	1.9
281.04745	0.9
283.02414	2.7
284.03314	0.8
285.03976	3.6
287.14813	1.0
297.03894	1.9
389.06601	0.9
407.07697	32.1
408.08115	4.5
408.20023	0.8
431.19342	0.9
434.37418	0.8
449.08755	5.1
449.14380	13.4
449.20166	85.3
449.26807	2.7
450.09116	1.2
450.14975	1.3
450.20520	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	449.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
57.61147	1.3
57.74911	1.2
59.01255	7.9
62.96272	8.8
63.60290	1.4
69.72749	10.8
71.01259	2.3
78.95786	23.2
80.97350	9.9
85.75891	1.2
93.03354	2.5
95.04893	2.1
98.19834	2.4
99.00768	18.6
111.00745	2.5
121.02844	3.9
122.03642	1.7
123.04378	3.3
125.02335	6.7
135.04456	7.3
137.02373	2.8
139.11154	2.2
142.02592	1.7
144.00551	2.0
147.04436	5.5
147.08006	2.5
148.05219	1.7
149.00017	7.1
149.02365	3.2
149.05995	4.8
151.03928	11.5
156.00546	6.0
159.04405	3.0
161.02371	3.6
161.05995	6.7
161.09804	2.0
163.03900	5.3
163.07576	1.7
171.04393	2.0
173.02403	2.1
173.04509	1.7
173.06020	1.5
175.03923	5.2
177.01869	2.6
177.05502	3.5
187.03911	1.5
187.11073	2.4
189.01929	2.5
189.09180	1.9
189.12740	3.0
191.03435	5.4
191.14371	3.3
199.03935	1.8
201.05539	1.6
201.09129	2.3
203.03430	4.8
203.07024	2.2
203.10663	1.9
205.15887	2.6
214.09889	1.6
217.05196	2.5
220.11148	1.9
221.11713	1.7
231.10217	1.4
232.91496	1.4
235.13327	2.6
242.98317	1.9
246.08649	1.5
255.17543	2.0
263.12903	3.2
271.20755	2.1
283.20724	15.3
284.21051	1.9
287.13040	2.0
292.13159	3.9
306.11179	4.3
309.18539	5.2
313.18073	1.9
315.19708	5.4
317.21161	8.2
318.11099	2.5
325.18115	4.0
327.19650	29.6
328.19937	2.0
329.21152	3.1
331.19226	6.1
332.12665	8.6
333.20691	3.7
339.19788	2.1
343.19232	5.3
345.20734	34.0
346.20978	3.1
351.19464	2.1
355.16867	4.8
357.20715	10.2
359.18448	6.8
361.20258	8.0
362.13724	3.5
369.20737	11.1
371.18634	100.0
372.18890	9.5
383.18716	9.5
385.17825	6.5
387.21860	7.8
389.19708	18.4
390.20041	1.9
395.18646	3.1
397.57352	1.6
401.19702	18.1
405.22729	3.3
413.19717	12.8
431.20667	20.7
449.14954	37.7
449.21802	47.0
450.15286	3.8
450.22202	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	449.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71770	1.1
53.82509	1.1
59.01256	16.4
71.01272	1.3
71.58691	2.1
78.95766	7.6
93.03304	3.1
99.12766	1.0
113.75586	1.1
121.02859	2.0
121.10104	3.2
129.73927	1.3
141.22122	1.2
151.03955	5.9
152.99438	1.9
173.04509	2.1
174.99121	1.6
185.11707	2.5
229.28929	1.3
265.07492	1.9
291.19550	1.9
327.12674	3.7
329.14359	3.1
389.16458	100.0
390.16824	9.3
441.14795	1.2
449.18546	2.7
449.32678	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	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
58.37567	0.8
58.95186	0.7
59.00985	0.7
59.01247	4.6
60.26316	0.7
62.96281	30.6
64.07685	0.7
66.67632	0.8
71.59049	1.0
71.59475	0.9
78.95776	69.8
79.21638	0.8
80.97340	40.5
93.03316	1.6
96.95916	1.4
98.95459	2.4
125.02249	0.9
140.15198	1.0
149.00018	17.6
150.77753	0.9
152.99551	1.1
173.04453	2.2
177.01825	0.8
179.01050	1.3
191.05510	1.0
194.23586	0.7
205.15918	9.3
242.98228	5.7
255.23225	0.9
275.09406	1.0
285.12726	2.1
332.12799	1.1
333.20615	0.8
355.16794	19.6
356.17133	1.3
359.18912	0.9
371.18735	1.5
385.17819	26.0
386.18204	2.4
401.19717	3.2
409.75305	1.0
431.20660	2.7
449.14984	100.0
450.15292	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	449.1091
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03325	10.7
59.01252	84.9
65.00189	3.4
66.91277	1.1
69.21088	1.0
69.40790	1.8
69.41190	9.4
71.01258	11.4
73.02809	2.7
81.03334	2.8
83.01264	8.8
85.02828	5.4
87.00757	1.2
89.02329	6.6
89.76515	0.9
90.84961	1.1
93.03327	2.4
95.73197	0.9
97.02889	1.0
99.00754	1.3
101.02325	8.1
107.01254	4.8
107.04906	1.7
109.02853	1.9
113.02324	4.2
117.03359	1.6
119.03374	3.5
121.02822	1.6
123.04395	3.1
123.21870	1.0
125.02336	100.0
126.02641	2.2
133.02844	2.4
135.04483	1.8
139.03911	2.4
140.04070	0.9
143.03423	1.1
149.02344	8.7
149.27238	1.0
151.00282	22.9
152.01030	3.8
153.01865	5.6
153.05505	3.7
154.02199	1.1
159.04358	1.9
161.04451	6.0
163.00365	1.2
165.01923	1.1
167.03453	1.6
169.06491	1.4
173.04630	1.4
173.06001	4.7
175.03923	1.1
176.00960	1.6
177.01797	1.1
177.05428	2.0
178.99777	12.9
179.03433	4.7
179.05455	1.7
187.07521	1.5
191.05510	1.6
197.06015	2.0
199.07530	1.2
201.05521	3.7
215.07108	4.6
216.41812	1.1
225.05565	4.3
241.04997	3.8
243.06639	6.5
259.06097	83.4
260.06448	5.0
269.04559	67.4
269.07678	3.3
270.04919	3.9
275.09198	3.1
283.06113	2.1
287.05621	58.7
287.09003	4.0
288.05899	6.1
311.05225	2.4
332.14645	1.2
342.05807	1.8
345.20285	1.1
389.21915	8.1
421.11298	1.3
449.10876	61.6
449.24063	2.1
450.11288	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	449.1091
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
55.01757	1.1
57.03313	2.9
59.01254	38.7
59.54203	0.8
60.99158	3.5
65.00196	9.7
67.01760	7.9
69.03325	2.9
70.56850	2.8
71.01260	12.4
73.02818	5.4
81.03338	1.6
83.01257	6.4
83.04897	1.4
85.02829	7.8
87.00764	11.6
88.15725	0.9
89.02306	4.4
93.03337	53.5
94.03680	1.7
97.02851	1.1
99.00751	2.6
101.02340	7.1
105.03331	1.7
107.01282	20.7
108.02055	1.2
109.02818	5.3
110.52982	0.9
111.04419	8.7
111.05091	1.1
111.05330	0.7
113.02335	5.2
121.02861	1.2
124.03938	1.1
124.07575	4.4
125.02307	4.6
125.09610	0.9
129.01859	1.4
133.02849	6.8
134.03647	11.9
135.04420	82.4
136.04730	2.7
151.00279	100.0
152.00638	3.4
155.03357	3.3
161.02319	2.7
161.04485	4.4
162.03090	2.8
169.01379	2.0
172.05226	1.0
173.04475	45.8
187.07544	2.3
191.05536	24.6
201.01883	1.0
201.05408	2.0
203.10744	2.1
215.07126	1.3
217.68636	0.9
225.15167	1.0
231.10225	11.0
244.15732	0.9
255.03018	1.5
257.08221	4.4
275.09265	25.7
275.14996	3.1
276.09573	2.9
287.05621	72.8
287.13943	10.3
288.05887	4.7
297.09619	1.9
389.21793	3.7
407.07693	4.2
407.18912	5.3
434.94052	0.9
449.10312	11.8
449.14688	12.3
449.20581	3.6
449.27365	1.5
450.10739	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	449.109
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
54.46226	1.1
55.01756	1.1
55.17556	1.1
57.03326	2.6
59.01251	48.8
60.99171	3.9
65.00195	9.8
67.01761	9.8
69.03336	2.6
71.01258	17.6
71.38805	1.3
71.39153	2.2
73.02823	7.1
74.23956	1.3
75.00747	1.5
81.03331	2.4
83.01250	5.8
83.04861	1.7
85.02816	11.2
87.00760	13.6
89.02328	4.6
93.03338	56.7
96.54398	1.1
97.01595	1.2
99.00761	4.3
99.04379	1.4
101.02328	9.8
105.03355	2.6
107.01270	18.2
108.02118	2.0
109.02840	6.1
110.02458	1.3
111.04395	8.8
113.02329	6.6
117.03349	1.2
119.03383	1.4
123.04431	1.8
124.07590	8.2
125.02332	4.8
129.01860	2.6
133.02863	6.8
134.03645	15.7
135.04416	76.7
136.04774	3.1
137.02313	2.2
138.71611	1.1
150.03154	1.2
151.00276	100.0
152.00670	1.8
155.03404	3.8
159.92091	1.2
161.02364	3.8
161.04512	4.6
162.03128	4.4
169.01341	2.0
173.04477	52.4
174.06749	2.0
174.56242	1.1
177.01909	3.5
178.02654	2.5
178.22574	1.2
187.07593	2.5
191.05531	28.7
201.05542	3.7
203.10754	5.1
231.10213	16.4
243.15218	1.3
255.03099	2.1
257.08249	6.2
275.09253	37.8
275.14954	5.3
276.09808	2.1
287.05630	71.7
287.14038	17.4
288.05908	4.2
297.09824	1.3
315.97931	1.3
329.14999	1.5
389.21869	4.7
407.07578	5.0
407.19305	5.1
434.29767	1.1
449.10226	11.1
449.14603	14.1
449.20554	5.5
449.27524	2.9
450.10547	1.7
450.15936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Aromadendrin 3-galactoside
Peak:m/z	Relative Intensity
57.03308	3.6
59.01252	100.0
60.01587	1.0
60.99163	1.4
63.02271	7.6
63.43964	0.8
65.00195	8.0
67.01749	2.9
69.03314	1.1
70.92658	1.9
71.01257	20.1
72.99171	1.9
73.02806	4.0
75.00712	1.3
81.03320	2.4
82.26945	0.9
83.01257	9.4
83.04877	1.3
85.02349	1.5
85.02826	20.5
85.03322	0.7
87.00759	5.3
89.02318	11.6
93.03340	17.2
95.01258	1.4
96.00771	1.4
96.95872	1.0
97.02788	1.0
99.00739	2.2
99.04390	1.2
101.02327	9.4
107.01267	13.5
109.02814	1.1
111.04397	2.3
111.23639	0.9
111.82244	0.8
113.02364	9.4
113.03114	1.2
113.03435	0.9
117.03336	2.6
119.03401	5.9
121.02817	1.3
123.00723	1.7
123.04381	1.1
124.01570	4.1
124.07545	1.1
125.02338	9.8
127.03889	1.1
129.01823	1.3
133.02803	1.1
134.03603	2.2
135.04434	4.6
137.02292	1.9
137.55637	0.9
139.00272	1.1
141.01785	1.5
143.03374	2.0
149.02335	1.5
151.00276	42.4
151.03905	1.3
152.01071	29.7
155.03384	1.2
156.55391	0.8
159.02971	1.3
159.04416	2.2
161.04480	8.7
169.01314	10.7
169.06364	1.0
172.05125	1.0
173.04498	14.7
173.05937	2.0
174.04704	1.0
175.02623	1.8
175.07501	1.0
176.03465	7.3
177.01830	1.3
177.05473	1.9
178.99788	29.7
179.05486	3.0
183.04384	1.0
187.07568	7.4
191.05544	65.9
192.05873	2.3
193.01370	1.4
197.05977	1.7
202.06139	2.2
203.10733	1.3
204.02998	1.6
207.13782	1.2
209.02905	1.7
209.11748	1.5
213.09120	3.4
215.07054	2.3
221.02992	1.2
225.05444	3.5
225.14948	2.6
227.12869	9.5
227.16351	2.5
231.10199	4.5
257.08160	9.8
258.08652	1.0
259.06055	3.6
269.04556	87.3
269.12653	6.9
270.04892	6.7
275.09143	4.2
286.04715	2.0
287.05713	4.7
287.08612	1.0
287.15112	7.5
287.18402	1.5
330.76917	0.9
343.09329	8.6
387.35635	1.0
389.21805	6.7
414.16501	2.0
431.18985	2.0
449.10703	42.5
449.20340	6.9
450.11005	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	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.5
70.83651	0.4
78.95781	6.4
98.19773	0.9
110.98423	5.1
131.75130	0.3
137.36894	0.4
156.80919	0.4
167.01015	1.6
184.71732	0.3
185.02141	4.8
261.22235	0.5
279.23285	100.0
280.23639	11.1
280.26743	0.5
300.48206	0.4
447.25180	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	447.3478
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
52.22855	0.2
59.01257	0.3
68.40214	0.2
69.62656	1.2
69.63066	0.4
76.86496	0.2
78.95806	0.4
79.17093	0.2
118.00400	0.2
121.06489	7.4
135.04417	0.4
136.05212	3.6
149.05991	100.0
150.06329	3.4
162.06763	1.4
163.07124	0.2
175.07587	1.0
183.59024	0.2
190.22072	0.2
241.67207	0.3
279.23312	2.0
337.55206	0.2
432.32443	2.3
433.32581	0.5
447.34805	52.7
448.35086	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	449.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	5.3
57.03328	18.5
59.01255	43.8
64.72984	2.3
67.94706	2.5
71.01251	13.5
72.87777	2.6
72.99187	5.7
73.02847	3.2
75.00727	4.3
83.01251	12.4
85.02828	100.0
87.00757	4.3
90.56942	2.8
93.03282	4.2
96.95911	5.0
101.02338	7.9
107.14780	2.5
107.32097	2.7
109.02878	3.8
111.00770	27.4
113.02334	6.1
121.02852	10.5
125.02322	8.7
129.01839	33.5
137.02368	31.5
138.04158	2.9
148.01572	10.7
149.02357	10.5
151.03903	3.9
153.05540	3.3
161.04475	4.5
163.00237	4.0
163.03932	4.6
164.01047	4.2
165.01894	6.9
205.03477	34.8
223.04538	44.9
259.06097	8.0
269.04529	6.4
275.06613	2.8
287.05658	10.9
371.03027	3.0
399.09540	6.6
421.11255	2.6
449.10886	6.4
468.64114	2.6
469.10538	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
72.72855	0.4
78.95770	4.5
84.09259	0.3
88.07713	0.3
110.98423	4.4
152.99574	0.4
167.01077	1.7
177.47913	0.4
185.02138	3.9
229.54008	0.5
264.79474	0.4
279.23288	100.0
280.23651	10.0
447.25192	3.8
448.25400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47918	0.4
59.01252	100.0
60.01571	0.6
69.50368	1.2
69.50793	2.3
71.01251	8.6
73.02827	1.3
83.01287	1.5
85.02818	2.9
87.00773	0.6
89.02319	8.8
89.02837	0.7
95.01286	0.6
96.08764	0.4
96.95882	0.4
98.20607	0.7
101.02318	5.8
113.02328	4.1
119.03424	3.9
131.03423	0.4
143.03438	0.7
146.29102	0.5
159.02942	0.5
161.04456	4.2
179.05533	2.1
191.05634	1.2
195.69176	0.4
211.13423	1.6
225.14981	0.5
229.08771	0.5
255.06607	0.7
284.03357	1.7
285.04156	2.3
317.41293	0.5
387.20288	7.2
387.24963	0.6
447.09091	0.9
447.22339	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.8
58.00478	0.7
59.01254	100.0
60.01588	1.1
71.01253	10.5
71.04877	0.7
71.58377	0.7
71.58782	0.8
72.99186	1.0
73.02831	2.9
85.02831	2.7
89.02321	8.7
94.76586	0.6
95.01304	1.0
95.96272	0.7
99.04385	1.5
101.02335	5.1
113.02324	3.0
114.05647	0.6
119.03423	2.4
123.00798	0.6
123.04391	0.9
124.01559	3.4
125.02398	0.9
143.03413	1.6
143.04529	0.7
149.04428	0.7
153.01843	1.1
153.03000	4.4
153.05508	2.3
154.01379	39.8
161.04474	1.9
179.05609	2.5
191.05574	1.5
315.10696	0.8
387.20294	2.9
405.21698	1.1
415.98819	0.9
448.10614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01754	1.6
57.03315	1.8
58.00464	3.3
59.01250	78.9
62.98209	0.8
70.94115	1.8
71.01251	57.2
72.01601	1.1
72.99184	3.8
73.02818	27.2
75.00748	1.1
83.01269	3.0
85.02821	17.4
87.00761	3.6
87.21431	0.8
89.02316	71.3
90.02646	1.4
95.01250	6.0
99.00757	100.0
100.01107	1.5
101.02326	26.7
113.02328	38.9
114.02671	1.4
119.03386	13.7
124.14380	0.7
125.02271	0.9
131.03394	15.3
135.46002	0.7
143.03410	4.8
149.04462	44.1
152.54457	0.9
161.03194	1.6
161.04465	21.5
179.05527	4.4
191.05534	50.0
192.05914	1.2
211.13335	13.7
233.06599	5.1
253.09315	1.1
291.31677	0.8
417.96503	1.0
447.22205	21.9
447.27844	1.4
448.22549	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
55.88980	0.5
57.03327	1.2
58.00465	1.4
59.01252	100.0
60.01596	1.5
62.29922	0.4
69.54187	2.3
69.54607	1.5
71.01254	33.3
72.99182	1.1
73.02821	29.2
75.00757	0.6
78.82807	0.4
80.20775	0.5
83.01262	7.7
85.02831	6.9
87.00776	1.4
89.02318	16.5
95.01290	1.7
97.02835	0.6
98.19765	0.6
99.00796	1.3
101.02325	29.5
102.02654	0.5
113.02328	14.1
119.03391	7.8
125.02408	0.9
131.03406	1.9
143.03381	2.4
149.04494	2.1
159.02917	0.8
161.04471	10.3
179.05563	2.4
191.05629	0.5
207.13942	0.5
225.15060	1.4
226.15237	0.6
292.50180	0.6
327.05194	0.6
338.34839	0.5
387.20230	12.1
387.24808	0.7
388.20721	1.6
405.21268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.8
57.03335	0.7
58.00471	1.1
59.01251	100.0
60.01586	1.3
64.42460	0.4
69.03321	0.5
69.43650	3.1
69.44068	1.1
71.01254	27.4
72.01582	0.8
72.99200	1.3
73.02819	33.0
75.00736	0.7
80.22552	0.4
83.01270	8.6
85.02827	5.5
87.00754	1.2
89.02317	9.8
95.01277	1.2
95.41217	0.5
96.54430	0.5
97.02843	1.0
99.00764	0.9
101.02322	29.9
102.02690	0.5
113.02337	13.7
119.03396	4.1
123.04443	0.5
125.02340	1.2
131.03346	2.5
143.03400	2.6
145.09435	0.4
149.04483	2.1
152.36212	0.4
154.01402	0.5
155.03465	1.0
161.04465	9.8
179.05585	2.1
191.05418	0.5
203.05695	0.7
206.57274	0.4
221.06662	0.5
243.06593	0.9
243.16089	0.9
299.05734	0.7
327.04956	2.1
357.06100	0.7
387.20523	2.0
405.21301	1.5
447.09299	0.7
447.22479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03288	0.7
59.01251	18.9
67.01740	0.9
69.24712	5.8
69.25131	1.9
71.01254	5.9
72.00592	0.7
73.02818	2.6
83.01251	1.0
84.58131	0.7
85.02828	3.4
87.00754	1.0
87.04432	0.7
89.02313	2.8
93.03333	5.4
98.20563	1.5
99.00706	0.7
101.02309	3.9
113.02322	2.9
117.07040	1.0
119.04918	100.0
120.05222	3.5
121.02921	0.8
123.04414	1.2
135.04413	19.5
137.02275	0.8
137.05988	1.3
147.04422	17.7
149.05975	1.8
151.03848	1.3
153.01848	0.7
153.05527	0.7
159.04471	0.7
159.43274	0.7
161.04581	1.4
161.05978	21.4
162.06387	0.9
165.05486	77.9
166.05905	3.4
166.07048	0.8
173.06082	0.9
179.07074	10.3
183.13875	1.9
191.05540	1.7
191.07074	1.0
193.12402	0.8
196.03648	0.9
211.13330	23.0
227.70584	0.7
253.09303	2.6
255.02890	1.7
267.10275	6.4
268.03622	1.2
285.04361	2.6
285.11319	80.4
286.11606	5.3
295.02533	6.4
296.03000	1.3
323.01953	1.3
447.07132	9.0
447.12424	0.6
447.21103	1.5
447.26233	2.0
448.07635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
57.55471	0.7
59.01252	100.0
61.99213	0.9
69.39893	3.3
69.40324	3.4
69.48770	0.8
71.01254	8.6
73.02817	5.1
83.01271	2.2
85.02840	3.7
87.00784	1.0
89.02334	3.7
95.01237	0.7
99.00750	1.5
101.02315	7.9
102.02552	0.7
111.00784	0.9
113.02345	4.0
119.03410	1.5
137.02362	1.0
143.03481	1.0
151.03986	0.8
153.01817	1.3
161.04495	1.7
172.16350	0.7
191.05644	1.3
223.04607	0.9
264.16431	0.7
312.20386	0.7
382.18555	0.8
387.20432	1.6
405.21832	1.0
420.61481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97471	0.8
59.01263	4.4
61.98700	4.6
61.98977	0.9
69.03309	0.8
69.58050	5.3
69.58471	1.8
71.01263	2.6
72.00798	1.0
72.99195	5.8
74.02366	1.4
75.00755	7.2
87.00741	1.4
89.02317	1.6
94.61562	0.8
99.00726	1.4
101.02307	2.1
103.00235	2.3
104.03436	5.5
105.01818	100.0
106.02165	2.0
108.02042	9.5
109.02837	2.9
113.02341	1.4
129.01892	1.1
152.01050	14.1
153.01775	1.0
213.70691	0.9
359.04233	1.0
447.11536	11.1
448.12149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01256	16.3
67.01746	0.6
68.38954	0.6
69.27330	3.4
69.27763	4.2
70.78400	0.6
71.01250	4.2
72.99194	0.8
73.02824	1.7
75.00729	0.8
78.40228	0.6
80.07188	0.7
83.01269	0.8
85.02841	2.1
87.00807	0.9
89.02319	2.5
93.03325	5.4
93.91961	0.6
101.02338	2.7
108.02064	0.7
113.02322	1.6
117.07038	0.8
119.04923	100.0
120.05270	3.8
123.04376	1.2
135.04422	17.9
136.04756	0.8
137.05963	0.9
147.04419	14.0
148.04779	0.8
149.05981	2.2
161.04672	1.0
161.06001	18.6
163.03828	0.8
165.05495	77.3
166.05797	3.8
168.22374	0.8
173.04529	1.3
173.05908	0.9
179.05579	0.7
179.07060	8.4
183.13739	1.6
186.25386	0.8
191.05568	1.7
191.07146	1.2
211.13344	19.3
212.13824	1.0
243.06641	1.2
253.09317	2.7
255.03105	1.5
267.10208	5.4
282.01718	1.1
285.04318	2.6
285.11328	77.9
286.11740	5.9
295.02487	4.7
296.03278	1.9
323.02023	1.0
387.20377	0.8
405.21777	0.7
447.07181	8.0
447.21164	1.5
447.26398	1.5
448.07532	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
62.96276	1.4
68.89535	0.3
69.60265	2.5
78.95778	43.2
94.10020	0.3
94.89664	0.3
96.95911	0.3
96.96835	2.6
116.15276	0.3
149.00005	20.0
151.01526	0.3
158.92439	2.4
163.79510	0.3
179.01091	3.1
205.15981	1.1
211.13312	2.2
218.44972	0.3
233.38358	0.3
240.96693	0.4
267.11581	0.5
311.10992	0.4
347.08011	0.6
417.12286	0.9
431.10324	2.4
432.10898	0.8
447.13437	100.0
448.13739	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	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.5
62.96290	1.3
66.63303	0.3
68.14399	0.3
78.95776	45.9
89.02321	0.5
96.95910	0.3
96.96853	3.1
121.93972	0.3
137.53894	0.3
149.00002	19.4
150.00357	0.4
152.99477	0.3
158.92476	2.2
161.04553	0.3
163.03879	0.3
179.01060	2.7
183.13747	0.5
205.15955	1.9
211.13333	9.2
212.13661	0.5
219.42482	0.3
240.96848	0.3
253.09216	1.3
267.88928	0.3
347.08304	0.4
417.12268	0.9
431.10202	2.5
432.10342	0.3
447.13412	100.0
448.13766	9.9
459.57187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.33054	0.2
56.36725	0.2
59.01254	2.6
65.00195	0.5
65.03815	0.2
67.01768	0.2
69.03297	0.3
69.95879	1.3
71.01247	0.4
72.94761	0.2
78.19118	0.3
80.02538	0.4
81.03329	0.3
85.02819	0.5
91.01771	16.6
92.02100	0.4
93.03345	0.6
95.01260	0.9
101.02283	0.3
105.37129	0.2
107.04898	0.5
108.02054	19.2
109.02866	4.1
121.02856	0.7
123.00769	5.9
124.01579	0.6
135.00775	15.2
136.01118	0.4
137.02350	3.7
149.02390	0.3
150.48114	0.3
152.01060	17.6
153.01413	0.6
169.06490	0.3
183.13780	0.3
185.78400	0.2
197.06004	1.5
199.07622	0.5
210.84653	0.2
211.13336	4.5
212.13603	0.3
213.05609	1.1
215.07121	0.8
225.05597	0.4
243.06596	100.0
244.06932	7.1
244.09444	0.2
253.09381	0.4
337.14603	0.3
387.10876	1.0
447.13174	2.6
471.88354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.83426	0.3
54.80416	0.3
57.03345	0.4
59.01252	8.9
63.02245	0.3
65.00195	0.6
67.80906	0.3
71.01259	4.4
71.55201	0.3
73.02815	2.1
73.27873	0.3
80.02563	0.9
85.02827	1.8
89.02322	5.5
91.01773	17.6
92.02097	0.4
95.01262	1.2
97.02789	0.3
99.00758	6.7
101.02321	2.5
107.04921	0.6
108.02056	19.9
109.02850	8.6
111.00748	0.4
113.02323	3.7
119.03392	0.7
121.02856	0.9
123.00762	5.6
131.03387	0.9
135.00780	16.4
136.01134	0.4
137.02333	3.7
149.02322	1.1
149.04457	2.8
152.01060	18.3
153.01852	9.3
158.26193	0.3
161.02388	0.5
161.04489	1.3
167.03345	0.5
175.27142	0.4
191.05536	3.1
193.29034	0.4
193.70482	0.4
195.03001	0.8
197.06023	1.4
198.16319	0.3
199.07623	0.5
199.65527	0.3
207.03064	0.5
211.13367	1.4
213.05513	1.1
215.07103	0.5
225.05377	0.4
243.06602	100.0
244.06967	6.4
279.05130	2.0
282.99847	0.3
286.21799	0.4
297.06177	2.1
339.07147	0.6
349.97095	0.3
447.22064	1.4
455.21957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.9
69.28762	6.5
69.29173	2.2
71.01250	8.2
73.02821	2.0
85.02828	6.1
89.02315	1.9
91.04391	0.7
95.01271	1.7
99.00739	2.9
101.02338	3.8
108.02057	38.3
109.02876	9.5
113.02328	3.1
122.66730	0.8
123.00793	0.8
123.04412	0.9
125.02341	0.7
151.03909	2.2
152.01062	100.0
153.01836	4.3
159.90401	0.7
161.04460	2.2
163.03911	3.5
177.01900	1.0
240.06384	0.8
258.85965	0.8
259.17581	0.8
315.07239	1.5
318.06580	0.8
377.92554	0.9
447.11438	84.4
448.11774	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	447.0936
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
52.88931	1.8
53.89520	1.9
59.01254	100.0
62.31583	1.9
63.85869	1.8
69.77928	10.1
69.78339	3.7
71.01256	34.2
73.02831	4.9
83.01248	4.9
85.02821	8.8
89.02322	33.7
95.01263	2.7
101.02332	28.3
113.02342	17.8
119.03388	10.4
131.03424	2.2
133.02832	4.0
143.03375	4.8
153.93608	2.4
159.02922	4.8
161.02341	2.3
161.04503	22.1
179.05547	7.4
222.33408	2.1
225.14966	7.2
284.03226	4.5
297.04028	6.6
299.05566	7.9
327.05090	35.5
357.06079	10.5
387.15231	3.3
387.20258	60.1
447.09247	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	447.0933
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.16239	0.2
50.16481	0.2
59.01247	3.3
60.04681	0.1
63.02242	0.4
64.99886	0.2
65.00167	1.0
69.80098	1.2
71.01243	0.8
73.02818	0.4
75.49844	0.2
83.01243	0.8
85.02808	0.6
88.78058	0.2
89.02314	0.2
93.03358	0.2
101.02297	0.5
105.03349	0.2
107.01270	2.1
115.55398	0.2
121.02814	0.6
133.02841	10.9
134.03178	0.3
149.02353	1.8
151.00264	5.8
171.04422	0.6
173.02261	0.2
175.03912	3.1
176.04213	0.2
177.01823	0.2
185.05986	0.2
191.05508	2.5
195.04279	0.2
197.06024	0.4
198.03139	0.4
198.18472	0.2
199.03955	2.4
200.04298	0.2
201.01900	1.2
202.02248	0.2
209.11887	0.3
210.12108	0.5
211.03885	0.3
211.13307	1.7
213.05432	0.5
215.03430	0.4
217.05020	1.8
223.03951	0.4
224.04530	0.2
226.02681	0.3
227.03485	0.2
229.04968	0.3
239.03520	0.3
240.04265	0.2
241.04964	1.0
242.02229	0.2
243.03011	0.9
243.16199	0.2
253.09216	0.2
255.02940	0.4
255.06599	0.3
256.03641	0.5
257.04520	0.5
267.03073	0.5
284.03302	0.7
285.04028	100.0
286.04376	7.2
295.02548	0.4
296.03204	0.2
297.04071	0.5
309.04059	0.3
387.20334	0.3
405.06198	0.5
447.08548	1.5
447.21735	0.2
448.09274	0.3
464.15228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
63.27133	0.6
69.49513	5.2
91.03910	2.2
96.95883	5.9
118.28218	0.7
125.09670	1.5
209.11809	1.5
211.13383	1.7
293.21323	1.0
311.22299	11.6
312.22623	0.7
347.22449	1.7
425.95502	0.6
445.29965	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00890	0.9
53.59523	0.8
59.01253	100.0
60.01579	1.1
70.63759	0.8
71.01268	1.0
71.54938	1.8
91.03873	2.5
96.95895	2.1
124.90434	0.8
144.55093	0.8
146.27316	0.7
207.81441	1.0
211.13321	1.4
285.39246	0.8
293.21133	0.9
299.30991	0.9
311.22256	11.4
312.22452	2.2
317.43271	0.9
445.29340	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	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98701	1.9
67.55964	1.5
69.50373	5.9
69.50793	6.3
71.01237	1.8
78.95787	1.9
84.98460	1.5
89.02353	1.4
91.03883	3.7
96.95882	19.8
99.42017	1.5
135.43979	1.5
209.11700	5.9
211.13356	2.1
227.12753	1.8
256.57523	1.8
287.05536	2.0
311.22324	22.1
363.73877	1.5
427.28625	3.7
445.30057	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19577	0.4
59.01237	1.5
63.82767	0.4
64.68925	0.4
78.95772	4.9
98.20650	0.7
110.98419	4.6
113.75673	0.3
124.28310	0.3
167.01053	1.5
182.46310	0.4
185.02170	3.9
206.43192	0.4
212.07692	0.4
230.41928	0.6
277.21722	100.0
278.22049	8.9
296.48251	0.4
348.77878	0.4
445.23605	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79507	0.5
52.66757	0.6
58.32335	0.5
59.01243	1.3
70.92552	0.5
70.92889	1.3
71.01260	0.6
78.95775	20.7
79.64995	0.4
110.98416	14.5
136.99985	0.7
165.07091	0.5
167.01074	14.7
185.02100	4.1
259.20795	0.5
262.76993	0.6
272.55148	0.5
277.21719	100.0
278.22015	9.4
384.20102	0.6
445.23587	14.2
446.23874	1.3
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
59.01252	100.0
66.25192	1.0
68.43228	0.8
68.70543	0.8
69.05290	0.8
70.04842	2.5
70.05238	1.5
71.00888	1.3
71.01261	13.9
78.03042	0.8
83.04899	1.3
85.02809	1.6
87.00755	1.5
89.02320	26.9
93.81953	0.9
101.02324	7.2
113.02328	6.9
119.03370	10.9
131.03384	1.6
143.03378	2.7
149.04427	1.8
161.04439	3.9
179.05530	17.4
217.04413	0.9
231.41817	0.8
401.11957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01038	0.3
59.01251	3.5
59.93254	0.4
61.37751	0.4
62.70582	0.3
63.17505	0.3
63.36295	0.4
65.03819	0.4
71.01257	0.7
80.30724	0.4
84.55827	0.4
85.02865	0.4
87.86784	0.4
91.05425	1.2
93.03346	3.4
101.02319	0.7
105.63605	0.4
108.02036	0.5
119.04919	100.0
120.05257	3.7
121.02847	76.7
122.03175	3.0
135.04427	16.0
136.04735	0.4
147.04453	0.7
158.72151	0.3
168.16464	0.4
181.12294	0.4
200.72299	0.3
209.11774	3.0
241.08665	38.5
242.08965	3.2
318.69205	0.4
440.67935	0.4
445.21317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01227	0.9
71.50622	0.7
71.58379	0.8
76.43482	0.8
78.95776	4.0
80.44273	0.8
96.95887	1.9
110.75826	1.0
114.23677	0.9
149.00018	5.2
149.05804	1.0
205.15994	4.8
209.11761	1.6
265.64551	0.9
347.22366	1.8
355.16782	20.8
356.17316	1.6
385.18002	11.5
401.30832	1.7
415.28506	4.6
427.28595	1.0
445.20181	1.8
445.29846	13.9
446.29926	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87583	0.3
57.03309	0.4
57.08798	0.3
58.00471	1.2
59.01250	100.0
60.01599	1.0
64.00536	0.3
69.70464	2.5
71.01252	20.9
72.99195	1.3
73.02831	1.5
75.91834	0.3
83.01243	0.7
85.02828	3.6
87.00751	0.9
89.02316	29.3
95.01276	1.5
98.20621	0.6
99.00764	0.5
101.02322	9.4
113.02330	7.9
114.02722	0.4
119.03385	10.1
122.85670	0.4
125.02348	0.6
131.03395	1.2
138.06776	0.5
143.03412	2.6
149.04460	1.0
151.03888	0.5
152.08276	0.4
153.09131	3.0
161.04491	4.1
179.05533	10.4
180.05919	0.5
205.12273	1.1
209.11790	2.8
223.13397	1.6
385.18674	1.3
445.21262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1352
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
53.17250	0.3
55.01752	1.2
56.79425	0.3
57.03330	0.3
58.00455	0.3
58.77723	0.3
59.01251	14.5
69.23920	3.1
71.01254	8.2
72.99165	0.4
73.02820	5.1
75.00745	0.8
83.01257	2.3
85.02836	2.7
87.00744	1.2
87.01215	0.3
89.02321	4.4
91.01775	7.7
93.03339	6.6
95.01250	0.9
99.00761	10.2
99.04400	0.4
101.02325	10.5
101.60477	0.3
107.04929	1.6
108.02070	0.9
108.60770	0.3
113.02347	3.4
117.08289	0.3
119.01283	3.9
119.03380	0.9
121.02853	10.3
122.03168	0.3
123.04425	1.3
125.02387	0.5
131.03412	1.2
133.02835	0.7
136.01576	0.6
137.02347	5.0
138.02727	0.3
141.09135	0.5
143.03381	1.0
146.03648	0.4
149.02327	0.5
151.03920	100.0
152.03146	0.3
152.04274	3.8
159.02945	0.3
161.04483	3.9
161.05835	0.4
165.09100	0.4
179.05551	1.3
190.09846	0.3
191.05566	2.2
195.04840	0.9
209.11774	3.7
241.14467	0.4
253.09392	0.3
277.95041	0.3
281.06778	0.7
293.08832	0.9
299.96964	0.3
303.68408	0.3
313.09161	0.5
336.94659	0.3
349.17151	0.3
413.10950	1.7
445.13507	8.3
446.14157	0.9
451.45715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44635	0.9
59.01253	100.0
60.01567	1.3
66.90221	0.9
69.76562	1.5
69.76971	4.3
71.49078	0.8
82.91326	0.8
109.06480	2.5
112.57861	1.1
130.68788	0.9
136.58414	0.8
137.10352	0.9
163.11174	1.0
198.19194	0.9
207.10214	3.3
237.11351	0.9
253.09354	1.3
291.19641	2.5
309.20776	4.4
342.87076	0.9
443.20526	1.3
443.27942	8.3
444.28461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.3
61.98684	2.0
69.46890	6.7
71.01254	7.2
72.00784	5.9
72.99166	0.8
74.02350	5.5
75.00747	72.3
85.02821	1.8
86.92970	0.7
89.02319	8.2
96.78181	0.7
96.95886	1.6
101.02335	2.8
103.00252	100.0
103.03825	1.0
104.00590	0.9
104.03414	40.5
108.02053	1.0
109.02827	1.2
110.02368	1.0
111.28195	0.8
113.02363	1.5
119.03398	3.2
135.04420	1.4
143.03401	0.9
151.03925	1.9
153.01857	1.7
161.04378	0.8
161.29951	0.7
179.05522	3.6
180.31494	0.7
203.31956	0.8
257.90732	1.0
283.07974	0.9
341.10867	13.9
445.14191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01591	1.1
71.01255	1.6
71.07789	3.6
76.00727	1.5
89.57269	1.2
91.03876	5.0
94.69855	1.3
95.78452	1.5
96.95834	1.4
105.54038	1.3
109.06491	5.5
111.08070	1.4
126.01305	1.2
148.90714	1.2
150.45267	1.3
163.11212	1.9
164.52771	1.3
185.92744	1.3
197.11774	6.6
207.10175	10.7
211.13242	1.4
253.09491	2.4
274.36844	1.6
291.19598	4.7
308.26184	1.3
309.20700	13.4
310.00140	1.6
310.20966	1.7
443.27866	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28340	1.2
59.01254	100.0
67.82058	1.2
74.88822	1.3
82.69611	1.3
96.44423	1.2
110.64531	1.2
126.68752	1.2
134.12064	1.4
140.89668	1.3
151.04401	1.5
184.54211	1.3
197.11702	3.5
207.10196	3.0
253.09270	1.5
291.19659	3.6
309.20795	5.3
384.88406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04137	0.7
59.01252	100.0
69.49788	4.3
69.50215	1.7
73.42501	0.7
91.03910	2.1
96.95914	0.9
99.92490	1.1
109.06504	1.6
111.08089	0.9
134.45721	0.8
160.72992	0.7
163.11186	0.8
197.11720	3.5
207.10266	2.7
215.27863	0.9
291.19647	3.6
309.20718	10.4
443.10672	0.8
443.23517	1.7
443.28741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02026	0.8
59.01257	1.9
71.59176	1.1
74.65054	0.7
105.80820	0.9
159.08372	3.8
161.06160	1.2
275.05945	1.1
277.07568	2.3
343.12088	1.7
345.13779	1.0
357.13809	2.0
359.15359	100.0
360.15491	12.1
377.16565	2.1
425.19980	1.3
427.21609	47.0
428.21838	8.3
443.24435	5.8
444.25235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01687	2.9
59.01253	100.0
61.98696	3.7
65.92102	2.8
70.27501	3.1
71.57825	3.0
71.58199	2.8
96.95918	4.2
101.17685	2.6
109.06476	6.1
123.24374	3.0
200.75418	2.8
204.96303	3.0
207.10222	10.5
267.23401	3.1
271.04349	3.0
285.05783	7.3
309.20636	8.0
369.24319	65.6
370.24738	8.8
443.22107	5.7
443.27997	76.5
444.28430	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	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01746	2.2
57.03328	1.7
58.00466	2.7
59.01252	52.0
69.76198	1.8
69.76618	3.4
71.01254	39.2
72.99178	4.0
73.02826	6.8
74.60668	0.7
83.01262	7.8
85.02826	13.8
86.00010	0.9
87.00754	2.8
89.02320	28.3
95.01273	3.3
98.20447	1.3
99.00774	3.0
101.02325	35.9
105.27753	0.8
111.04401	1.3
113.02338	15.7
119.03395	10.2
121.06468	0.7
123.08052	1.1
128.02217	0.7
131.03394	1.0
135.88705	0.8
143.03398	1.6
161.04451	1.1
171.11612	1.1
172.60849	0.8
189.12817	2.8
219.13893	1.1
225.62700	0.8
237.14984	1.9
324.28940	0.9
356.42200	0.7
443.19202	100.0
444.19534	11.4
454.24374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97493	0.2
55.01749	0.4
56.81981	0.2
57.03323	0.2
59.01250	12.2
61.98708	0.2
62.22089	0.2
69.31985	2.1
71.01252	7.9
71.19234	0.2
72.99192	0.3
73.02814	4.2
74.69725	0.2
77.72569	0.2
82.87270	0.2
83.01252	1.0
85.02823	3.3
87.00754	0.5
89.02320	1.9
93.03308	0.2
95.01266	0.5
96.95851	0.2
97.02824	0.3
99.00758	3.5
101.02318	5.1
107.04906	100.0
108.05239	3.5
113.02327	5.3
114.13026	0.2
125.02341	0.8
131.03439	0.6
134.03600	0.3
135.04443	0.6
143.03377	0.7
149.05971	0.8
159.02902	0.5
161.02393	0.3
161.04466	4.7
165.05452	0.4
173.04468	0.3
176.03940	0.2
179.03415	0.4
191.05510	1.2
203.05537	1.2
203.07140	0.3
240.07692	0.2
253.99690	0.2
269.10391	1.2
275.07831	0.2
311.11365	2.6
312.11618	0.3
401.14508	13.9
402.15002	1.3
443.15524	12.1
444.15903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61502	0.5
55.01757	3.5
56.82700	0.5
57.03321	2.0
58.00472	0.8
59.01252	100.0
60.01583	1.0
62.67699	0.5
69.03341	0.6
71.01254	38.7
72.99195	1.2
73.02821	19.2
75.00737	1.4
81.72859	0.6
83.01261	6.5
85.02824	18.5
87.00763	1.1
89.02327	4.9
95.01287	2.3
97.02853	0.9
98.20561	1.2
99.00758	9.7
101.02328	26.6
102.02625	0.6
107.04926	1.0
111.00743	0.6
112.01555	1.1
113.01537	0.8
113.02328	14.0
125.02346	1.7
129.01833	0.9
131.03389	1.6
143.03371	2.5
155.22742	0.6
159.02861	3.1
161.03198	1.0
161.04475	14.8
203.07158	0.8
212.41150	0.5
216.17744	0.5
251.09190	2.6
269.10312	22.0
270.10654	1.9
311.11331	3.3
342.94473	0.5
383.13379	1.1
401.14526	37.6
402.14810	3.5
404.20245	0.5
426.64993	0.5
443.15540	25.1
444.15808	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.6
57.03316	4.0
58.00461	1.3
59.01253	100.0
63.67632	1.1
68.99667	1.5
69.03329	4.1
69.28503	11.4
71.01255	36.9
72.99189	4.9
73.02820	13.1
74.69705	1.0
81.03344	1.5
83.01254	7.1
83.04907	1.6
85.02827	30.2
87.00761	9.2
89.02321	7.3
93.03362	2.2
95.01255	5.4
95.53345	0.9
96.95922	1.3
97.02838	8.7
99.00750	10.7
101.02325	22.9
103.07625	1.0
108.02066	1.5
109.02843	3.9
111.00784	3.2
111.04388	1.8
112.01546	3.1
113.02333	36.5
125.02327	4.5
127.03915	1.9
134.03519	2.3
137.02306	6.2
139.03920	1.8
143.03389	5.8
144.36249	1.0
149.06087	1.4
151.03873	1.3
155.03365	1.3
159.02914	1.3
161.04494	11.4
173.04449	2.3
176.04506	1.7
187.06139	1.6
203.07188	2.4
215.05571	2.1
269.10306	14.3
273.73709	0.9
311.11337	4.9
366.84799	1.0
381.70627	1.1
383.13559	24.3
384.13821	2.9
401.14539	35.7
402.14850	3.1
403.64783	1.2
443.15549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34828	2.3
59.01255	100.0
69.64037	2.2
70.10351	5.5
70.10746	4.0
85.31936	2.1
102.35766	2.1
111.09307	2.7
117.30811	2.0
191.14284	2.5
201.11194	2.6
209.11876	2.8
217.00323	3.5
217.04944	3.2
235.53252	2.2
307.19156	4.2
325.10831	7.4
367.22702	4.4
387.07718	2.9
394.17770	9.1
409.20172	9.6
410.20572	3.1
441.26300	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76373	1.6
59.01255	100.0
68.87286	1.5
71.07304	1.3
71.07635	3.1
97.06493	1.5
162.48334	1.5
217.00417	1.5
441.26270	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	442.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58397	2.1
57.03334	2.5
57.46233	2.1
59.01251	10.5
59.66734	2.2
60.99149	2.2
62.36041	2.5
64.10582	2.2
71.01266	12.3
71.58305	2.2
72.99184	7.2
81.03349	2.2
85.02830	19.1
87.00749	8.4
88.98685	8.5
89.02316	6.0
93.03329	15.0
101.02329	5.2
107.76470	2.1
109.02824	7.2
111.04424	4.3
113.02324	2.7
119.03405	2.1
120.53062	2.3
123.04401	5.0
125.02304	4.1
127.03860	4.0
135.04375	3.7
137.02335	7.1
144.04485	2.4
147.04466	2.7
149.02365	2.5
149.89880	2.4
151.03926	7.5
153.01843	5.8
161.02370	4.2
171.02834	2.8
173.04489	9.8
176.03395	5.8
177.01898	4.7
179.03447	4.5
182.99133	2.3
186.01944	2.4
188.03445	5.6
191.05544	100.0
192.00433	2.3
192.05876	2.9
205.01440	3.4
206.04539	4.1
223.02420	2.4
230.06688	3.6
232.02480	12.6
250.03595	19.7
263.23230	2.9
265.34137	2.0
268.08203	2.4
272.39594	2.5
287.91418	2.2
443.19141	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
67.10195	1.5
71.58354	2.2
80.57631	1.6
116.29517	1.8
136.97089	1.7
148.44751	1.6
163.07538	6.9
251.82376	1.9
289.18127	2.3
307.19208	4.4
379.77319	1.8
441.26797	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41986	0.4
54.13198	0.4
54.99315	0.4
57.03317	0.8
57.87695	0.4
59.01251	100.0
60.01591	0.6
71.01254	5.0
72.99187	0.7
73.02824	2.8
76.96558	0.5
83.01283	0.9
85.02832	1.4
87.00759	1.4
89.02332	2.8
93.03351	1.5
95.01283	0.6
98.20534	1.3
99.00769	0.5
101.02326	3.1
113.02321	2.8
119.03422	1.0
137.02353	3.0
139.11186	5.8
152.03345	0.5
161.04469	0.5
167.10712	1.3
179.05602	0.5
183.10155	2.2
199.13370	0.6
201.11279	7.6
211.13458	0.5
215.12846	6.0
227.12689	0.5
233.11829	0.6
251.12898	0.6
293.21255	7.1
294.21545	0.6
333.20905	2.9
345.20999	0.6
351.21768	1.6
407.24744	0.4
441.28854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	56.6
65.43191	4.9
69.64161	22.2
69.64582	12.9
73.24432	5.3
88.98689	7.0
97.06465	6.2
98.20527	9.1
108.02052	9.9
121.02840	42.1
136.23964	4.6
137.02341	6.0
148.01572	14.9
149.02368	13.9
153.01897	5.5
159.04562	6.0
165.78117	4.9
173.05980	16.6
175.07596	19.5
217.00249	7.2
217.05049	22.3
255.10120	7.4
257.04532	13.8
280.20651	5.6
283.06079	19.3
325.10858	100.0
325.18161	6.1
328.08527	6.3
347.20251	8.1
377.17703	21.7
383.07867	5.3
394.17810	70.6
395.18164	14.7
409.20251	91.2
410.20764	16.2
441.20303	8.8
441.26486	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
57.03329	1.4
59.01252	100.0
60.01585	1.1
60.55704	0.5
69.22344	0.6
70.04062	3.1
71.01253	17.6
71.01869	0.7
72.99166	1.0
73.02821	7.6
75.00706	0.6
81.97920	0.6
83.01255	3.0
85.02820	6.7
85.64275	0.7
86.00011	0.8
87.00773	1.5
87.04414	1.0
89.02325	7.2
91.26754	0.6
95.01292	1.3
99.00773	1.8
101.02324	11.7
109.02816	0.9
113.02329	6.6
119.03413	2.7
125.02362	2.7
131.03404	0.8
137.02371	1.1
143.03394	1.5
147.10881	0.5
159.02965	0.6
159.06618	0.9
161.04462	6.4
162.49478	0.7
165.76451	0.7
179.05608	1.0
202.65369	0.6
210.50990	0.6
217.00296	0.7
221.08150	1.1
249.09801	1.2
254.21562	0.6
300.29019	0.6
311.41025	0.6
381.22861	1.6
399.23837	4.1
448.55029	0.7
448.99078	0.6
457.23102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.076
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20559	0.7
69.61091	1.8
69.61501	3.5
70.71764	0.6
73.66233	0.6
78.95779	41.1
79.95611	1.5
80.24255	0.6
85.36256	0.7
96.95903	72.4
96.96854	100.0
131.92719	0.7
192.81859	0.8
196.80200	0.8
200.66048	0.7
247.27379	0.6
312.00555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80305	0.2
69.50916	1.4
69.51331	0.3
78.95781	37.9
79.95620	0.8
96.95905	47.5
96.96844	100.0
98.20531	0.5
161.39418	0.2
186.04184	0.2
225.24947	0.2
234.16794	0.2
237.41959	0.2
439.08340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.8
57.03335	3.2
58.00467	5.5
59.01253	100.0
60.01572	1.3
61.98705	1.1
64.03282	0.8
69.52724	6.0
71.01256	72.4
72.01579	0.8
72.99187	6.9
73.02824	4.5
74.20790	0.7
74.32980	0.6
79.95619	1.8
81.03350	1.1
83.01273	4.6
85.02829	17.4
87.00729	4.5
89.02319	67.7
90.02661	1.3
95.01253	4.8
95.95155	0.8
96.95895	18.4
96.96507	1.1
97.02823	1.6
97.95898	0.7
98.95470	1.0
99.00803	1.9
99.04401	1.6
101.02323	48.0
102.02706	1.5
107.04925	2.2
109.02847	10.8
109.06496	1.2
110.68956	0.6
111.00764	0.9
111.04424	1.1
113.02332	27.9
114.02679	0.6
119.03391	32.4
121.06503	1.2
122.03637	2.3
123.04438	1.4
124.05203	2.0
125.02359	1.2
125.06045	1.1
131.03381	3.4
133.06497	17.2
135.04422	1.2
135.08038	0.7
136.05205	0.9
136.08316	0.7
137.02377	0.9
137.05974	3.4
137.68030	0.6
139.07558	17.2
143.03421	5.7
149.04456	2.0
149.06056	3.5
150.06604	0.6
151.03928	1.0
151.07571	0.7
153.01849	0.8
159.02927	1.5
161.04482	11.8
163.07567	0.9
169.08675	2.9
179.05511	5.0
187.11247	1.7
191.05565	1.4
195.39734	0.7
199.11200	0.7
201.09261	0.8
202.09897	1.1
204.11504	1.9
205.12296	4.5
217.12331	4.6
235.13309	3.8
245.65901	0.7
261.11310	1.8
307.46127	0.7
323.37726	0.7
330.13202	31.7
331.13904	16.7
362.12241	1.1
379.17682	1.1
397.18628	7.0
441.17709	72.9
442.18109	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	437.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88935	0.7
57.03326	0.7
59.01253	100.0
60.01588	0.7
69.70620	3.4
69.71037	1.3
71.01253	4.5
73.02824	1.2
83.01268	0.9
85.02830	3.1
89.02324	0.9
98.20663	0.6
99.00790	0.8
101.02328	4.5
113.02345	2.4
118.95909	0.7
143.49002	0.7
161.04465	2.5
173.15424	0.8
234.61299	0.6
315.45108	0.6
317.19754	1.4
335.20737	12.4
336.20993	1.0
377.21756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
60.99155	0.3
67.97893	0.3
71.07864	0.8
79.95621	0.8
80.96392	100.0
82.95957	0.6
88.98677	1.1
105.01817	0.4
107.65336	0.3
127.11182	0.3
132.95860	0.3
137.09625	0.5
140.08182	0.3
168.77835	0.3
178.19859	0.3
227.05940	0.7
227.12825	0.6
297.01379	0.3
314.00757	0.3
347.15411	0.6
353.10303	0.9
437.22131	25.8
438.22366	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	0.8
70.16091	0.5
71.01249	8.1
72.29562	0.5
73.02823	2.7
82.16258	0.5
83.01254	1.1
85.02828	2.8
89.02306	3.9
90.67186	0.4
96.95909	1.0
99.00771	2.0
101.02325	6.1
113.02320	3.1
114.02670	0.5
119.03419	0.6
125.02351	0.5
132.91637	0.5
143.03462	1.3
161.04503	3.0
161.96939	1.5
162.04750	0.5
171.11703	0.5
173.15462	0.7
189.02014	0.7
189.09125	0.8
191.05522	0.6
200.66927	0.5
200.69044	0.5
201.11359	0.7
209.11830	0.5
217.08627	6.4
224.94502	0.4
232.10995	2.9
233.99078	0.8
274.81116	0.5
305.20038	0.7
317.19733	1.4
335.20755	11.9
335.24506	0.9
336.21304	1.0
352.71588	0.6
377.21759	2.7
381.67596	0.5
437.18558	0.6
437.24072	2.1
438.05591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.203
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
59.01252	34.7
65.67422	0.9
71.01260	11.5
71.58801	1.1
72.99195	1.1
73.02805	5.2
83.01316	1.0
85.02843	2.7
87.00744	1.0
89.02320	15.7
93.03357	0.8
95.01307	1.1
96.01608	0.8
99.00755	13.1
101.02335	8.4
109.02820	1.1
110.02407	1.1
113.02332	8.0
119.03382	1.3
123.04393	1.6
125.02340	0.9
130.64978	0.9
131.03404	2.9
143.03413	1.7
143.10681	100.0
144.11014	3.1
146.06017	2.0
149.04465	6.1
157.12241	3.2
161.04433	2.4
161.44089	0.9
178.01088	0.8
185.11774	6.0
185.62117	0.8
186.11903	1.0
191.05548	4.0
215.12798	2.8
227.12802	6.9
233.06659	0.9
348.41000	0.9
394.21332	1.2
437.14044	0.9
438.20340	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01133	0.5
51.31253	0.5
55.01757	2.7
57.03324	1.8
58.00470	0.7
59.01252	100.0
60.01592	0.6
71.01254	27.2
72.99197	1.9
73.02823	20.4
73.99201	0.6
74.03188	0.9
83.01256	5.5
85.02341	1.3
85.02825	13.9
87.00748	1.5
89.02319	4.8
95.01277	1.5
97.02833	1.8
99.00760	7.3
101.02326	27.3
102.02663	0.8
111.00752	1.1
113.02338	10.9
123.00741	0.6
124.40513	0.7
125.02312	1.9
129.01817	0.9
131.03403	2.3
143.03354	1.4
143.04944	1.3
159.02907	1.7
161.04483	7.0
172.42355	0.6
197.11819	0.8
201.03311	0.6
201.11169	0.8
216.49777	0.6
229.26534	0.7
245.13896	2.6
263.14984	32.8
264.15363	1.8
305.16132	2.7
377.17953	1.1
395.19220	41.4
396.19492	4.3
401.82230	0.6
437.20233	34.3
438.20618	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	435.2752
Annotation	(-)-Salvisyriacolide
Peak:m/z	Relative Intensity
54.60988	1.2
57.03310	4.2
59.01238	4.2
63.38663	1.3
65.03833	1.6
69.03315	3.4
69.38561	5.3
69.38985	8.4
80.96394	39.3
81.03329	4.0
83.04921	10.1
93.03332	11.9
95.04897	3.2
97.06463	9.7
98.06748	1.3
105.06989	1.6
107.04926	3.6
107.08531	1.7
109.06476	5.9
111.07999	4.8
119.04913	6.2
119.08508	1.5
121.06447	2.3
123.08040	4.3
125.09621	23.5
133.06468	2.8
135.08011	3.4
137.09610	6.4
149.09599	4.4
151.11105	2.0
159.11687	1.3
171.10188	80.4
172.10515	3.8
175.11157	2.7
178.64632	1.4
185.71674	1.3
187.14827	3.1
189.12764	2.9
193.12151	1.2
201.12756	1.5
201.16235	1.9
203.14302	4.4
205.15887	3.3
209.11755	13.3
211.13321	5.1
213.12785	7.4
215.14359	2.3
221.15308	1.9
231.13850	17.6
233.15419	14.5
235.16856	3.2
239.16470	2.8
245.15443	4.6
247.16998	20.7
249.14961	15.0
250.15140	1.5
251.16603	2.0
257.17639	1.8
263.16528	44.5
264.16830	4.4
265.18045	2.0
309.20786	1.5
313.25244	1.7
331.26340	5.6
339.22574	1.7
341.24615	6.6
357.24396	3.9
359.26007	4.0
367.22766	4.2
373.27466	1.8
375.25735	6.9
385.23831	15.4
386.24286	2.3
403.24902	18.0
404.25037	2.0
407.27914	3.7
417.26480	100.0
418.26761	13.1
435.20630	8.9
435.27420	66.3
436.27713	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	436.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52549	2.9
51.41551	3.5
58.02844	12.1
58.35600	3.1
59.01244	17.8
60.86713	3.5
63.88426	2.8
69.51927	23.0
71.01243	10.3
73.02809	5.1
74.02346	31.6
85.02815	6.2
86.02362	11.4
87.05500	9.9
97.03937	3.3
98.19885	4.8
99.00772	6.3
99.05527	24.1
101.02347	5.0
101.07083	5.0
102.05451	4.1
109.03950	3.8
111.05537	5.2
125.03441	3.9
127.04974	7.4
128.03423	77.9
135.05544	4.6
141.06621	7.2
143.04520	92.5
145.06038	7.0
146.04475	6.5
160.00687	14.7
166.09779	5.7
167.04518	6.4
167.08069	3.8
177.03354	7.9
179.04552	19.3
180.68327	3.3
181.06056	4.2
185.05678	3.9
191.05557	11.5
210.08801	17.7
254.07831	25.5
272.08881	31.6
288.06653	6.5
306.07642	100.0
307.08032	9.9
332.09412	4.2
395.15634	5.6
436.13724	9.0
437.16660	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	435.2056
Annotation	Griffithine
Peak:m/z	Relative Intensity
54.30990	0.2
59.01236	0.3
62.46902	0.2
64.38397	0.2
71.01254	0.4
79.95615	0.7
80.96394	100.0
81.96335	0.3
95.56008	0.2
96.95881	0.4
96.99220	0.3
120.11792	0.2
125.73994	0.2
125.97787	0.2
132.95901	0.3
198.07884	0.2
199.09682	0.9
291.09250	0.3
399.10175	0.4
411.04593	0.3
435.20566	24.0
436.20862	2.9
449.69629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22844	1.0
54.38982	1.1
55.01747	1.5
57.03319	2.6
58.00459	3.7
59.01251	99.4
71.01254	82.8
72.99181	5.3
73.02819	28.6
83.01261	3.2
85.02818	23.2
87.00742	4.1
89.02317	99.2
95.01263	6.4
98.20569	2.2
99.00758	100.0
100.01041	1.5
101.02319	35.4
113.02334	52.2
114.02634	1.5
119.03387	19.7
120.03706	1.1
125.02324	2.2
131.03401	14.6
143.03409	8.7
149.04459	47.0
159.97180	10.6
161.04478	27.3
179.05518	8.2
191.05547	46.9
192.05859	2.9
231.99251	3.9
233.06566	7.3
268.65125	1.1
293.08649	1.7
394.04367	1.7
398.61462	1.2
435.22275	42.9
436.05621	4.8
436.22687	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	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
59.47951	4.8
71.01268	37.0
72.99200	8.0
73.02834	14.9
75.00736	8.6
81.03324	12.2
85.02847	18.9
87.00762	11.1
89.02328	18.6
93.03333	5.1
95.01228	5.6
96.95890	10.4
98.11079	5.3
98.19680	9.4
99.00738	9.1
101.02332	23.8
111.00736	5.0
112.72489	4.5
113.02365	15.3
119.03467	8.6
123.04410	20.8
125.02337	19.2
129.65332	6.5
135.04445	13.6
137.02315	34.6
151.00241	11.0
151.03882	5.6
161.02377	5.6
161.04474	15.4
165.82582	4.8
166.02611	16.7
175.03978	7.2
176.55634	5.0
181.04993	17.5
191.05614	17.7
199.09706	28.2
229.08702	19.9
273.04343	12.7
273.07669	20.9
297.04120	11.1
312.06131	11.3
327.08792	17.1
342.11066	11.6
357.13370	37.5
375.14597	7.0
389.21790	25.7
405.15460	8.0
427.34970	5.5
435.12939	14.8
435.22748	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	435.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21237	1.4
55.01751	1.9
57.03313	3.8
58.00466	1.8
59.01252	100.0
60.01574	1.9
61.01683	2.3
66.37156	1.5
68.56937	1.5
69.03329	1.8
69.49027	4.0
69.49438	7.7
71.01253	27.1
72.86304	1.3
72.99194	3.7
73.02823	17.2
83.01262	5.5
85.02827	18.3
87.00756	4.3
89.02327	10.9
90.21816	1.8
93.03335	5.7
95.01285	4.4
95.46446	1.2
96.95902	6.5
97.02839	2.9
97.43798	1.3
98.20525	2.7
99.00742	5.7
101.02328	14.8
108.02048	3.1
109.02856	7.5
111.00768	2.2
112.54025	1.5
113.02327	20.6
116.92724	3.1
118.22512	1.7
119.03355	2.4
121.14964	1.5
125.02320	5.5
127.03900	1.7
135.04446	3.1
137.02357	7.5
143.03387	1.7
149.02332	1.7
149.04515	1.5
151.00267	3.4
152.01123	3.3
153.01814	5.7
156.12030	1.5
161.02403	1.5
161.04427	5.6
165.01817	16.1
166.02544	2.1
171.10162	1.9
179.03325	6.9
180.04224	10.8
188.04683	1.7
191.05553	46.4
192.05899	1.9
194.05792	3.1
195.06570	14.8
199.09779	7.5
209.08153	2.6
209.11884	1.7
210.05342	2.1
214.02696	4.9
217.08589	2.0
225.07559	9.3
227.12804	3.9
241.05031	1.9
243.06622	8.6
253.09328	1.8
258.05276	4.4
261.13416	5.3
272.06244	1.6
273.07471	5.5
287.15018	14.8
303.14536	1.6
375.16809	20.8
376.16748	1.6
387.14407	3.4
393.17679	17.4
394.17966	1.6
405.14810	1.7
435.09381	4.5
435.22180	14.5
436.18597	2.7
456.81885	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	435.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03330	1.2
58.00463	1.4
59.01254	100.0
60.01584	1.5
69.03334	0.9
71.01256	37.7
72.01618	0.6
72.99195	2.4
73.02823	27.9
75.00758	1.2
75.44137	0.4
81.03349	0.7
83.01250	4.5
83.01621	0.4
85.02824	8.1
86.02358	0.8
87.00766	1.7
89.02319	28.4
90.02644	0.5
90.87441	0.4
93.03348	0.8
95.01270	2.8
96.95904	0.4
97.02846	1.0
97.06465	0.6
98.20555	1.3
99.00761	51.3
100.01116	1.4
101.02328	22.6
102.02689	0.6
109.02870	2.5
111.01886	4.4
112.00301	2.0
113.02332	15.5
113.03493	0.7
114.02634	0.5
119.03427	6.5
119.04914	12.8
119.13526	0.5
121.02841	0.8
121.05231	0.7
122.06046	0.9
123.04440	0.6
125.02318	2.9
131.03404	7.1
135.04469	0.5
136.21680	0.5
137.02396	0.8
137.03442	0.9
143.03403	3.3
149.04472	14.5
149.05652	0.9
151.03966	1.7
155.03357	2.2
161.04465	7.7
176.10681	4.0
177.24429	0.5
179.05516	2.8
187.06445	0.8
189.01888	1.2
190.02681	1.8
191.03752	0.9
191.05542	19.7
192.05923	0.6
202.08759	2.0
203.05545	5.6
219.11368	1.2
221.06607	0.7
229.12401	0.8
229.39122	0.8
233.06726	2.0
241.09775	0.8
245.13083	0.5
255.02936	3.1
255.10156	3.3
256.03729	0.8
261.13373	1.0
263.10400	1.0
269.04752	0.7
269.12784	0.5
273.07828	1.3
285.03989	0.6
300.10986	0.6
303.14413	0.6
314.15247	0.6
325.07126	3.4
332.12598	2.7
343.21207	0.6
348.13855	0.6
349.12628	0.5
356.80002	0.5
375.32593	0.5
392.13110	1.0
392.19861	1.2
393.17670	15.9
394.18265	1.2
399.24008	0.6
407.07809	3.4
417.24744	1.0
435.18823	13.0
435.25925	3.9
435.30377	2.2
436.12283	0.8
436.19168	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	435.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.2
57.03323	1.9
58.00482	0.9
59.01252	100.0
60.01590	1.2
64.94512	0.5
70.05696	3.1
71.01257	32.2
72.01591	0.5
72.99195	1.5
73.02820	25.5
75.00748	1.2
79.64829	0.6
83.01255	6.0
85.02825	16.8
87.00748	1.9
89.02317	6.9
95.01270	2.0
95.40888	0.5
96.95886	6.0
97.02818	1.3
98.20480	0.6
99.00758	10.3
101.02322	31.8
102.02721	0.9
109.02850	0.6
112.01553	0.7
113.02336	16.2
114.02643	0.8
119.45303	0.6
125.02329	2.0
129.01848	1.1
131.03395	2.5
137.02364	0.8
139.00270	0.6
141.60907	0.6
143.03395	2.5
145.85385	0.6
159.02924	3.5
161.03197	1.0
161.04474	14.3
162.04839	0.7
165.81987	0.5
171.10178	1.0
191.05528	1.6
195.10219	1.1
199.09708	3.1
205.03464	0.7
242.05589	0.7
243.12358	2.2
261.13425	37.7
262.13815	2.1
287.14978	0.8
303.14551	3.8
305.00720	0.5
305.12399	0.6
375.16620	2.0
393.17661	44.8
394.17926	3.3
417.24991	1.0
435.18588	50.8
436.19086	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	435.1297
Annotation	Nothofagin
Peak:m/z	Relative Intensity
57.03330	1.7
59.01253	15.2
68.99696	1.3
69.03330	1.7
69.47336	2.8
69.47756	5.7
71.01250	4.7
72.99165	1.1
73.02819	1.6
81.03334	12.7
83.01271	4.9
85.02829	2.0
89.02341	1.4
93.03344	7.2
95.01283	2.1
95.04898	11.7
96.95867	1.3
97.02847	5.8
98.19849	2.1
99.04376	6.4
101.02340	2.1
102.64043	1.0
109.02819	2.1
111.04375	1.1
113.02338	2.5
119.03432	1.3
119.04903	6.7
121.02843	1.1
122.03585	1.3
123.04398	16.2
125.02341	21.3
129.05701	0.9
131.90068	0.9
135.04462	1.8
137.02367	3.4
137.05995	12.4
139.03908	3.7
141.05501	1.3
147.04428	1.2
149.05919	1.0
151.00215	1.3
151.03867	1.5
155.03436	1.3
165.05479	7.7
167.03416	45.9
168.03838	1.2
179.03427	8.6
181.04962	1.5
189.05510	4.1
197.04495	3.7
209.04482	13.4
221.04469	3.0
273.07675	6.4
285.07632	2.3
315.08752	100.0
316.09164	6.5
327.08591	1.4
341.06595	1.2
345.09805	22.2
387.11429	1.1
417.11594	1.3
435.13110	5.4
435.21716	1.8
435.29956	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	433.3324
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
59.01258	0.3
61.40435	0.2
63.23953	0.2
66.25211	0.1
77.11802	0.2
107.04913	11.7
108.05236	0.4
121.02852	0.4
122.03635	5.6
135.04419	100.0
136.04716	3.5
137.05957	0.2
145.02791	0.3
146.03619	0.3
147.04489	0.2
148.05203	2.9
150.06767	0.2
152.99495	0.3
160.05205	0.2
161.05998	3.6
162.06635	0.6
175.07576	0.7
176.19737	0.2
183.30168	0.2
233.95683	0.2
385.31085	1.1
386.28079	0.4
401.30753	1.0
402.31274	0.2
413.30603	1.2
415.32404	0.6
418.30884	8.9
419.31201	1.2
433.33234	70.9
434.33569	8.9
434.42441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Phloridzin
Peak:m/z	Relative Intensity
50.43731	0.4
51.48233	0.4
57.03325	1.8
59.01252	8.7
65.00204	1.1
69.03326	0.4
69.24715	1.0
69.25134	3.8
71.01247	1.2
81.03331	14.9
83.01251	5.2
93.03333	14.6
94.03664	0.5
95.01251	0.6
95.04880	0.6
99.00798	0.4
107.01253	1.6
108.02065	1.2
109.02847	0.6
111.04416	0.4
119.04915	12.3
120.05240	0.7
123.04407	37.8
124.04733	1.2
125.02333	20.0
135.04416	1.5
149.02364	2.4
151.00272	4.4
166.02640	1.0
167.03407	98.8
168.03751	2.7
169.06511	0.5
177.01843	0.4
179.03423	11.1
180.03819	0.5
187.07529	0.7
189.05492	2.3
191.03386	1.4
199.13379	0.5
201.05490	3.4
211.07501	0.6
229.08739	1.1
233.17426	0.4
255.06648	1.2
256.49881	0.4
273.07672	100.0
274.08029	7.8
281.04968	0.4
297.07745	0.7
341.06793	0.9
346.51941	0.4
417.24643	0.4
435.13104	3.5
435.21793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.73198	1.2
57.03310	2.4
59.01259	13.7
61.66814	1.2
65.03843	1.9
69.03348	2.0
69.03781	1.4
71.13815	2.7
71.14161	1.3
78.95795	2.3
79.05376	2.0
80.02524	1.4
81.03324	3.0
83.04941	2.8
93.03373	1.3
95.04898	2.3
97.06459	6.2
105.07001	1.9
109.06504	2.3
115.05410	4.2
119.04899	1.5
123.07976	1.3
125.09634	15.5
135.08070	2.5
149.09633	1.3
157.06572	1.3
157.10268	1.4
163.11284	1.7
185.09641	3.3
185.11803	3.0
191.10721	2.1
196.83153	1.2
199.34511	1.3
201.16458	2.3
209.11737	4.2
213.12764	5.0
223.13324	1.4
231.13815	8.1
245.15443	20.3
246.15817	1.5
249.14973	3.9
263.16559	6.7
319.27454	1.2
329.24661	1.6
337.21802	3.5
339.22931	4.5
355.22717	1.5
373.23828	5.2
383.22217	3.5
401.23447	2.5
405.26419	3.4
415.24893	100.0
416.25223	12.3
433.25793	25.6
434.26251	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.1
59.01252	9.7
64.06132	0.8
65.03832	3.1
69.03339	2.0
69.71659	0.8
70.82298	2.7
71.01257	1.0
73.02793	1.0
74.20490	0.8
76.72503	1.1
77.22765	1.0
79.05409	3.4
80.02569	1.5
83.04903	2.1
88.95197	0.9
91.05418	1.4
91.60857	1.0
93.03331	1.6
95.04925	1.1
96.68765	0.9
97.06464	5.6
105.07004	2.9
109.06462	1.9
115.05434	3.8
123.08049	4.0
125.09617	17.6
131.08540	1.2
135.08061	2.6
145.02792	1.3
146.37534	0.9
157.06628	1.0
163.11177	3.0
185.09689	1.6
185.11688	2.6
186.95424	1.3
187.14877	1.8
191.10741	1.8
201.16409	3.5
209.11729	5.2
213.12808	6.0
223.13254	2.2
231.13820	8.6
245.15445	27.4
246.15689	1.6
247.13455	1.4
249.14867	2.6
253.86893	1.2
263.16483	4.8
264.16895	1.1
329.24875	1.3
337.21909	2.4
339.22891	1.9
363.21796	1.2
373.23840	4.6
383.22223	5.0
389.76913	1.1
401.23386	3.1
405.26474	3.9
415.24881	100.0
416.25317	11.6
424.28351	1.0
433.25803	25.2
434.26401	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.3
57.03317	0.9
59.01252	100.0
60.01590	1.0
61.06298	0.3
69.44165	1.5
69.44591	1.6
71.01257	8.1
72.99177	0.4
73.02825	2.6
83.01249	1.8
84.12766	0.3
85.02822	4.0
87.00764	0.6
89.02316	2.8
95.01272	0.8
99.00763	0.9
101.02313	5.1
101.02901	0.4
101.05975	1.4
109.02854	0.4
113.02331	3.8
119.03435	0.9
119.04926	0.7
125.02370	0.7
133.89491	0.4
141.09143	0.3
143.03403	0.8
151.00304	1.3
159.02899	0.6
161.02351	0.4
161.04472	3.1
179.05548	0.6
191.05539	0.6
197.11754	1.3
229.04993	0.5
229.18002	0.6
253.09096	0.5
271.05978	2.2
271.19147	0.8
330.79849	0.3
373.22214	2.5
391.23495	3.3
433.23715	0.7
433.28207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04416	0.4
57.03319	1.1
59.01250	100.0
60.01576	1.0
61.58399	0.4
63.02278	0.7
65.00208	1.2
69.34420	3.4
71.01253	7.1
72.99209	0.7
73.02840	2.5
77.79505	0.4
78.73659	0.3
83.01270	1.5
85.02816	2.2
89.02318	4.4
93.03345	1.0
95.01258	0.7
98.20506	0.6
99.00734	0.5
101.02324	4.9
107.01282	2.3
113.02315	3.7
119.03433	1.6
119.04916	5.4
125.02351	4.9
131.03531	0.5
136.01553	0.4
143.03444	0.7
149.02336	0.5
151.00264	7.8
151.01366	0.7
151.03889	0.5
161.04489	2.1
164.01152	0.8
169.01361	0.5
169.12381	0.4
176.40767	0.5
177.01862	1.1
179.05663	0.5
191.05524	0.7
197.11769	4.6
214.05070	0.5
227.06992	0.8
243.06621	1.8
253.05009	3.2
253.09393	0.6
271.06100	16.7
272.06479	1.4
331.18158	0.5
373.22476	1.5
433.11276	5.6
433.20526	1.3
433.28271	2.3
434.12082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39395	0.5
55.01747	0.8
56.61611	0.5
57.03337	1.0
59.01254	100.0
60.01588	1.2
63.02282	1.4
65.00197	1.8
65.53654	0.6
71.01257	14.7
72.99187	1.1
73.02829	2.3
83.01257	3.5
85.02824	6.2
87.04393	1.1
89.02322	9.3
93.03357	3.2
95.01292	1.4
99.00774	0.7
101.02332	8.5
107.01274	5.4
113.02335	7.2
116.79905	0.6
119.03425	4.4
119.04922	13.6
125.02381	1.0
136.01610	0.9
143.03415	0.9
145.02835	0.7
151.00282	17.0
152.00667	1.2
159.02979	0.8
161.04507	4.0
164.01079	0.7
165.01878	0.8
169.01326	1.1
177.01848	3.0
179.05585	1.2
189.62022	0.6
191.05579	2.5
197.11812	2.6
227.04634	0.6
259.09952	0.8
271.06137	38.5
271.19226	0.9
272.06519	4.3
373.22253	5.4
391.23553	2.6
415.23502	0.7
433.11111	5.9
433.24451	3.2
434.11777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58889	0.4
57.03339	0.5
59.01253	100.0
60.01584	0.8
61.66832	0.4
69.39536	1.9
69.39970	1.7
71.01250	4.8
73.02824	1.9
79.05291	0.4
83.01286	1.2
85.02841	1.8
89.02327	2.5
90.55013	0.4
95.01292	0.8
99.00761	0.6
101.02342	3.1
113.02348	2.7
119.03428	1.3
119.04968	0.8
123.96063	0.4
123.97086	0.3
128.72656	0.4
135.18721	0.5
143.03496	0.4
161.04446	2.7
169.12375	0.4
197.11789	3.6
253.08868	0.8
327.88492	0.4
373.22217	2.8
391.23657	0.7
397.22635	0.5
433.23639	0.8
433.28351	1.6
439.49692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07555	0.5
56.76295	0.5
57.03316	1.2
58.00446	0.9
59.01254	77.4
63.02271	4.3
65.00193	7.6
69.03307	0.7
69.38431	4.8
71.01258	12.3
72.99185	1.2
73.02825	2.2
79.66364	0.5
80.02525	0.7
83.01263	6.1
85.02834	3.9
87.00761	0.7
89.02318	8.5
89.61271	0.5
93.03345	9.1
95.01277	0.7
96.95882	1.5
99.00785	0.6
101.02328	8.1
107.01277	13.8
108.02084	1.9
113.02332	4.4
119.03426	3.6
119.04920	30.7
120.05247	1.2
123.00789	0.5
125.02332	4.3
136.01566	2.2
137.09549	0.5
143.03447	0.6
145.02937	0.5
151.00284	45.4
152.00706	0.8
157.12383	0.6
161.04454	2.2
164.01044	3.7
165.01811	2.2
169.01381	2.8
171.10017	0.5
173.04422	0.6
177.01868	6.9
179.05545	1.5
189.61472	0.5
190.45462	0.5
191.05595	3.9
191.07198	0.7
196.00084	1.5
197.11795	5.1
243.06577	1.7
253.05103	3.2
259.09738	0.9
271.06125	100.0
272.06445	7.4
373.22153	1.9
373.26184	0.8
380.74570	0.6
391.23242	0.6
415.23376	0.8
433.11328	20.8
433.23517	4.0
433.28491	2.2
434.11740	2.6
449.76996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.6
59.01253	100.0
67.95187	1.1
71.01258	16.3
71.58727	1.6
72.99184	1.8
73.02843	6.7
83.01266	2.7
85.02837	4.3
87.00764	2.3
89.02322	12.3
95.01272	1.7
96.95897	1.8
99.00758	10.2
101.02321	11.6
113.02355	10.3
119.03389	4.8
125.02327	1.4
131.03439	1.5
135.04422	1.1
143.03438	1.6
149.04460	4.9
161.04442	6.5
171.10240	1.5
173.46324	1.2
191.05518	5.0
196.95276	1.2
221.06708	2.5
271.06119	1.5
271.19101	1.5
331.17670	2.7
348.81750	1.4
385.68182	1.3
433.20163	2.1
433.28857	2.3
443.10587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
58.68450	0.5
59.01251	100.0
60.01581	0.8
69.34882	1.2
69.35288	4.9
71.01254	6.8
72.99167	0.6
73.02811	8.2
80.39555	0.5
82.47763	0.6
83.01278	1.8
85.02837	2.5
89.02324	3.0
98.19850	1.4
99.00778	0.6
99.04433	0.7
101.02316	7.4
102.21368	0.5
113.02319	3.4
117.77702	0.5
119.03432	1.0
131.03423	0.5
132.53735	0.6
141.21408	0.5
143.03482	0.6
161.04514	3.0
163.58315	0.5
197.11780	2.6
301.16437	1.4
373.22498	1.3
412.99341	0.6
433.20850	2.4
433.28192	1.9
441.07758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14142	0.4
58.00452	0.4
59.01248	3.6
61.74779	0.4
64.40120	0.4
67.84575	0.4
70.91206	0.9
70.91565	0.7
71.01257	2.9
73.02803	1.3
78.45574	0.4
85.02821	0.9
89.02324	2.8
99.00757	1.1
101.02316	1.8
101.23944	0.4
108.02058	2.7
111.00814	0.4
113.02303	0.9
122.02326	0.5
123.03172	5.2
125.02314	0.8
138.01886	35.5
138.05507	100.0
139.02213	1.4
139.05853	3.4
140.07062	1.7
161.04466	2.5
180.02904	0.8
180.06552	1.6
182.08194	1.0
193.79839	0.5
215.74757	0.4
220.27029	0.4
233.07973	0.4
275.15137	0.4
300.10889	10.4
300.14072	0.8
301.11282	0.6
302.12482	1.3
336.05487	0.5
432.15222	17.0
433.15668	1.4
434.50671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01250	39.7
63.02268	2.9
65.00194	7.0
65.59088	0.4
70.57619	1.4
70.57947	0.4
71.01251	9.5
73.02821	1.8
73.52440	0.4
83.01245	4.6
85.02824	3.9
87.00732	0.9
87.04357	0.4
89.02326	3.7
93.03337	7.8
95.01274	0.6
96.95885	1.6
97.02863	0.4
98.16476	0.4
99.00739	1.2
101.02329	5.0
107.01267	11.5
108.79258	0.4
113.02311	3.8
119.03397	2.1
119.04917	36.1
120.05223	1.4
121.02819	1.0
125.02325	1.7
131.01291	0.6
131.03595	0.5
135.00761	0.8
135.04404	3.8
136.01505	0.6
145.02779	0.8
151.00275	39.9
152.00702	1.4
161.04465	1.7
161.05862	0.5
164.01054	0.5
165.01849	2.0
169.01317	3.1
175.00252	1.2
177.01855	5.6
178.99738	0.9
179.05539	0.9
187.03993	0.9
191.05559	4.9
193.01387	1.1
197.11763	5.2
209.15489	0.7
227.07100	1.5
231.12239	0.4
253.14403	0.8
259.09698	0.5
269.04489	2.3
271.06113	100.0
272.06448	7.8
295.06268	2.0
313.07169	2.1
373.22366	1.2
391.23538	0.5
433.11340	1.8
433.20621	2.5
433.28195	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01254	3.2
67.05750	0.6
69.32300	0.6
70.74524	0.6
71.01253	1.5
71.37414	0.6
71.37757	0.9
72.99200	0.6
73.02807	0.7
85.02824	1.5
92.29586	0.6
99.00742	0.9
103.89114	0.7
108.02058	10.9
123.04413	0.9
125.02325	2.7
137.31340	0.6
138.01872	100.0
139.02182	2.8
151.03920	0.8
153.07956	0.6
161.02373	0.7
162.16496	0.6
191.05547	1.5
214.17859	0.6
271.15387	0.7
271.68405	0.6
452.83246	0.6
457.52988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01254	3.2
67.05750	0.6
69.32300	0.6
70.74524	0.6
71.01253	1.5
71.37414	0.6
71.37757	0.9
72.99200	0.6
73.02807	0.7
85.02824	1.5
92.29586	0.6
99.00742	0.9
103.89114	0.7
108.02058	10.9
123.04413	0.9
125.02325	2.7
137.31340	0.6
138.01872	100.0
139.02182	2.8
151.03920	0.8
153.07956	0.6
161.02373	0.7
162.16496	0.6
191.05547	1.5
214.17859	0.6
271.15387	0.7
271.68405	0.6
452.83246	0.6
457.52988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3165
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
56.51257	0.9
57.03328	1.3
58.48456	0.7
59.01255	7.2
65.60991	0.8
69.03328	3.1
69.30325	0.7
71.01244	2.6
71.04897	10.4
78.95766	8.1
79.64948	0.7
79.95601	1.1
96.95892	61.3
96.96795	6.2
98.95483	1.2
99.92455	1.8
109.42645	1.0
113.02313	2.1
120.55594	0.8
148.52753	0.8
152.99501	8.0
155.77324	0.7
229.22786	0.8
239.47975	0.9
294.01938	1.0
331.18948	1.2
344.62399	0.8
357.27982	2.4
359.29541	5.8
369.28003	1.6
371.29401	1.7
385.31296	1.4
387.32611	15.6
388.33115	1.0
413.30817	2.1
431.31680	100.0
432.31964	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16934	0.4
57.03324	0.9
59.01254	100.0
60.01583	1.2
65.97266	0.4
67.01775	0.7
67.68439	0.4
71.01257	8.2
73.02836	3.4
78.81992	0.4
81.03352	0.5
81.03851	0.4
83.01270	1.2
83.04913	0.6
85.02826	11.2
87.00762	2.4
89.02314	2.5
93.03345	7.0
95.01294	1.0
96.95876	1.3
99.00789	1.1
99.04424	0.6
101.02336	4.8
109.02834	0.5
111.04406	1.1
113.02328	4.3
119.03392	1.1
125.02300	0.8
125.11874	0.5
127.03905	2.0
143.03413	1.3
161.04489	1.4
171.03090	0.5
173.04501	3.2
179.05466	0.6
191.05548	65.0
192.05930	3.0
213.09149	3.6
225.13759	0.7
227.16429	2.1
257.08163	16.9
258.08539	1.0
263.74866	0.7
269.13184	0.5
347.11734	0.5
371.20541	1.6
389.21780	5.7
431.13452	9.5
431.22974	0.7
432.13739	1.5
436.10263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.7
57.03328	1.6
58.00461	0.7
59.01252	100.0
60.01582	0.7
69.03326	1.1
69.35291	2.2
69.35717	3.5
71.01254	32.0
72.99186	1.8
73.02822	27.0
73.03239	1.0
75.90216	0.6
77.18823	0.5
81.03312	0.8
83.01264	8.6
85.02830	5.1
87.00777	1.6
89.02323	9.4
89.02834	0.8
89.07407	0.6
93.03310	0.7
95.01274	1.7
97.02872	1.3
99.00786	0.9
99.04486	0.7
101.02328	27.0
102.95121	0.6
111.08059	1.7
113.02329	13.2
119.03396	3.8
119.04955	0.9
125.02378	1.8
131.03415	2.5
135.04453	0.8
143.03442	2.6
149.04498	2.2
152.01048	0.7
153.09120	10.1
155.03499	1.0
161.04475	7.0
179.05504	1.1
191.05652	0.7
203.05525	0.7
209.15382	8.7
227.16573	1.2
251.15645	0.5
256.73215	0.6
343.21231	0.7
371.20511	2.7
389.21967	2.9
431.22894	2.4
431.27435	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78487	0.5
59.01252	100.0
60.01585	1.5
69.54237	3.9
71.01266	2.1
73.02825	1.4
83.01280	0.7
85.02840	1.3
89.02325	1.1
101.02365	1.5
113.02354	1.7
161.04492	1.2
164.47484	0.5
194.72165	0.5
219.97343	0.4
389.21881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89053	0.5
59.01254	12.4
63.15431	0.6
69.83940	3.6
71.01257	9.3
72.99199	0.9
73.02816	4.4
83.01277	0.9
83.04900	0.7
85.02817	3.6
87.00769	1.0
89.02322	9.8
95.01298	0.6
99.00764	10.9
101.02342	3.4
108.02051	8.5
110.82178	0.6
113.02347	4.8
116.06445	0.6
119.03370	3.1
119.04858	0.7
123.03133	1.7
123.04452	0.8
124.01565	0.6
125.02363	3.7
131.03423	2.0
137.05963	0.6
138.01875	100.0
138.05501	27.9
143.03366	1.6
149.04475	3.5
161.04478	2.6
168.00526	1.3
169.01357	1.9
179.05511	3.8
180.02934	0.8
187.82578	0.7
191.05566	2.9
300.11008	1.9
302.12393	0.7
380.69989	0.7
431.15588	5.0
432.10641	1.5
432.16171	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77169	0.5
55.01749	0.7
57.03329	0.9
59.01254	100.0
60.01582	1.4
60.30804	0.6
64.06880	0.6
71.01254	12.4
73.02821	4.9
83.01295	1.6
85.02850	4.1
87.00756	1.3
89.02322	8.1
93.03302	0.7
95.01320	0.7
96.95924	1.2
99.00748	2.9
101.02310	6.7
113.02328	6.6
119.03438	2.4
122.03589	0.8
125.02374	1.1
137.06032	0.7
138.01920	1.0
143.03436	1.2
149.04485	1.3
159.03012	1.0
161.04491	4.6
167.86374	0.6
179.05551	0.8
191.05664	1.5
204.05615	0.6
227.07201	0.9
227.16617	1.2
282.56296	0.7
299.11530	0.9
362.41193	0.7
371.20923	1.6
389.21924	4.7
390.22363	1.2
431.15897	2.3
431.22989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.3
59.01249	16.2
61.74371	0.5
69.27232	6.7
71.01254	9.6
72.99149	1.2
73.02811	4.6
82.68423	0.6
83.01255	1.1
83.04860	0.7
85.02820	3.3
87.00732	1.2
89.02313	13.0
92.03156	0.6
95.01279	1.5
97.02792	0.7
99.00747	14.5
101.02315	5.0
107.04890	0.6
108.02044	7.6
113.02327	6.4
119.03389	3.8
119.05006	0.6
123.03093	0.9
123.04410	0.6
124.01530	0.7
125.02313	6.4
131.03392	2.3
137.02357	1.1
137.05983	1.2
138.01866	100.0
138.05486	14.1
143.03397	1.2
149.04495	3.9
149.99437	0.8
151.03873	0.8
161.02319	0.8
161.04434	3.7
168.00571	1.7
169.01372	2.7
179.05533	4.0
180.02942	1.5
191.05573	4.3
233.06474	0.7
245.48225	0.6
299.11499	0.6
300.10919	1.0
371.93881	0.7
431.15826	6.3
432.11414	2.7
432.15994	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	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75553	2.5
55.01767	2.8
57.03317	9.5
58.00459	3.6
59.01251	100.0
60.33460	2.5
69.38093	2.9
69.61369	9.2
69.61798	10.9
71.01254	69.0
72.99168	8.3
73.02820	22.8
81.13470	2.5
83.01263	6.0
85.02824	38.0
87.00735	3.0
89.02315	86.1
95.01283	7.3
97.40874	2.6
99.00759	84.5
101.02323	37.4
104.09742	2.8
109.02839	5.8
111.00753	6.1
113.02339	42.8
119.03448	15.4
119.04916	40.3
121.02839	2.8
123.03156	4.3
123.04432	3.4
125.02332	12.6
129.01817	5.6
131.03395	12.2
135.36604	2.5
137.02339	6.8
137.05991	5.2
138.05502	73.2
139.15451	2.5
143.03430	5.5
149.04477	35.5
151.03975	5.3
153.01874	6.6
153.05458	2.9
161.02380	3.0
161.04500	20.9
179.05511	7.7
191.05557	31.7
205.03410	5.9
206.55193	2.9
209.08157	5.5
223.04555	6.2
233.06656	5.0
244.05994	2.5
269.10373	4.8
289.07071	3.0
299.11337	22.2
300.10934	5.4
323.98404	2.7
431.15695	70.5
432.15598	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	431.1557
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
50.77649	1.8
55.01774	2.7
57.03325	4.9
59.01251	47.1
67.30046	1.7
69.82365	1.9
71.01254	32.2
71.12126	3.5
72.99200	2.8
73.02812	13.0
73.07359	1.9
74.25763	1.8
74.44493	2.0
76.49309	2.0
83.01279	2.9
85.02824	17.1
85.66550	1.7
85.92873	2.5
87.00777	3.9
87.05080	2.1
87.06403	2.3
89.02316	23.3
93.03352	2.0
93.61573	1.9
95.01267	4.0
99.00760	31.6
101.02332	18.9
107.04917	40.4
109.02849	2.2
113.02331	16.5
119.03434	7.6
119.04916	49.6
123.04469	2.9
125.02324	11.7
129.69774	2.0
131.03372	3.6
137.02321	11.3
137.05983	100.0
138.01889	28.2
138.02904	3.2
138.05453	3.3
138.06383	3.5
139.03943	2.1
149.04466	8.2
151.03870	4.8
152.04735	6.3
161.04491	5.3
167.03426	7.2
167.06923	2.4
168.04218	5.4
179.03419	3.5
179.05563	2.7
191.05510	15.4
193.05017	3.9
194.05794	2.6
209.08118	5.9
212.03152	6.8
212.06886	4.2
227.05589	4.8
227.09169	9.2
233.06654	2.4
237.92299	1.9
289.06989	3.0
299.11331	2.9
371.13470	12.8
389.14502	13.6
407.22137	2.0
416.09543	2.7
431.15704	42.3
432.15500	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	429.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80441	0.5
59.01254	3.5
61.78703	0.4
69.62818	0.5
71.04894	0.9
71.58461	1.0
80.37420	0.4
80.51167	0.5
80.96387	0.8
85.06461	0.5
107.07755	0.5
123.31052	0.6
155.97577	0.6
178.87726	0.5
196.66905	0.5
325.21680	1.6
339.23538	0.7
353.24850	0.9
355.26453	0.7
368.23801	0.5
369.28012	9.8
370.28339	1.2
385.23779	3.3
385.31229	1.2
429.30103	100.0
430.30414	12.6
450.90283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19527	0.5
51.69574	0.5
54.44228	0.5
59.01255	91.2
60.01588	1.1
69.32796	1.0
69.33202	4.4
71.01260	5.1
73.02827	1.1
77.03838	3.4
79.01797	1.8
81.03381	0.6
83.01271	1.1
84.50453	0.5
85.02839	1.7
89.02323	2.4
93.03342	3.9
94.53816	0.5
95.01296	1.0
96.95919	1.0
101.02326	2.6
105.03355	1.5
106.06743	0.5
107.01283	1.2
109.02876	1.1
113.02345	1.8
117.03350	15.4
119.03383	0.6
119.04922	2.0
120.17909	0.5
121.02815	3.8
123.04436	0.5
125.02345	1.2
135.04422	6.9
136.04767	1.3
137.02383	0.7
145.02867	0.9
147.04456	0.9
149.02356	3.7
159.04440	2.4
161.02351	5.9
161.04460	1.2
163.00266	1.3
163.03935	5.0
165.01836	1.0
173.02396	0.9
173.06183	0.7
175.85495	0.6
179.03529	0.7
183.04501	0.6
191.03432	2.0
191.05447	0.6
193.01286	0.6
195.08025	0.8
196.05206	1.0
197.05997	1.6
203.03481	1.5
209.06084	0.9
211.07582	1.2
215.07133	1.2
224.04791	0.7
225.05547	1.5
227.07129	2.0
237.05219	0.5
239.07127	2.7
241.05095	0.6
253.04942	0.8
267.63528	0.5
268.03806	3.1
269.04404	3.3
279.88312	0.5
281.04474	3.4
282.05438	2.0
283.06128	63.6
284.06476	4.7
293.04449	2.5
295.06067	1.4
311.05618	100.0
312.05920	8.9
323.05698	3.9
341.06662	7.9
342.06577	0.6
371.20731	1.1
372.81003	0.5
376.50351	0.5
389.21625	1.6
431.09848	41.8
432.10150	5.1
433.26230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03331	0.9
58.00465	0.3
59.01253	80.3
60.01579	0.6
60.99177	0.5
67.01761	1.5
69.03337	0.8
69.32224	2.5
71.01252	8.0
71.33462	0.2
72.99169	0.5
73.02825	2.7
79.95640	0.3
81.03304	0.5
83.01239	1.4
83.04902	0.6
85.02826	14.8
87.00752	4.6
89.02307	2.4
93.03339	11.2
94.03683	0.3
95.01274	1.0
96.95876	1.9
97.02804	0.3
99.00756	0.8
99.04398	1.0
101.02325	4.5
109.02853	0.9
111.00754	0.5
111.04414	2.5
112.48452	0.2
113.02326	3.4
119.03393	0.8
121.02883	0.3
125.02315	0.4
127.03914	3.0
129.01852	0.2
135.04440	0.6
137.02336	0.6
143.03423	1.1
155.03485	0.6
161.04489	1.7
171.02928	0.7
173.04471	4.7
177.34885	0.3
179.05484	0.4
191.05542	100.0
192.05899	4.4
197.06038	0.5
213.09163	7.7
214.09534	0.6
227.16464	2.1
241.05008	0.3
257.08173	25.6
258.08502	2.1
269.13849	0.5
371.20651	1.7
377.84857	0.3
389.16983	0.4
389.21802	4.1
390.21967	0.3
413.13159	0.3
431.13498	13.6
432.13678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03331	0.9
58.00465	0.3
59.01253	80.3
60.01579	0.6
60.99177	0.5
67.01761	1.5
69.03337	0.8
69.32224	2.5
71.01252	8.0
71.33462	0.2
72.99169	0.5
73.02825	2.7
79.95640	0.3
81.03304	0.5
83.01239	1.4
83.04902	0.6
85.02826	14.8
87.00752	4.6
89.02307	2.4
93.03339	11.2
94.03683	0.3
95.01274	1.0
96.95876	1.9
97.02804	0.3
99.00756	0.8
99.04398	1.0
101.02325	4.5
109.02853	0.9
111.00754	0.5
111.04414	2.5
112.48452	0.2
113.02326	3.4
119.03393	0.8
121.02883	0.3
125.02315	0.4
127.03914	3.0
129.01852	0.2
135.04440	0.6
137.02336	0.6
143.03423	1.1
155.03485	0.6
161.04489	1.7
171.02928	0.7
173.04471	4.7
177.34885	0.3
179.05484	0.4
191.05542	100.0
192.05899	4.4
197.06038	0.5
213.09163	7.7
214.09534	0.6
227.16464	2.1
241.05008	0.3
257.08173	25.6
258.08502	2.1
269.13849	0.5
371.20651	1.7
377.84857	0.3
389.16983	0.4
389.21802	4.1
390.21967	0.3
413.13159	0.3
431.13498	13.6
432.13678	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	429.3011
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
59.01249	2.4
63.01071	0.5
63.76951	0.5
69.62235	3.2
71.17785	0.5
73.61310	0.4
96.95886	1.1
98.95464	0.9
99.00807	0.5
117.54916	0.4
152.84830	0.5
153.21834	0.5
158.68063	0.5
173.30641	0.5
184.75813	0.5
240.52989	0.5
279.41296	0.5
367.26022	0.6
369.28043	1.5
429.30118	100.0
430.30438	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	429.3011
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
59.01258	1.9
71.16125	0.5
71.16454	0.3
89.02315	0.3
92.03880	0.3
93.28842	0.2
96.07875	0.3
96.95897	0.5
100.95705	0.2
102.76242	0.2
114.89027	0.2
133.54350	0.3
134.32553	0.3
175.03969	0.3
206.69080	0.3
219.61464	0.3
244.82840	0.3
278.73566	0.3
369.28006	0.5
385.31262	0.4
413.26663	0.3
429.30099	100.0
430.30426	12.6
430.36365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73498	0.4
53.82171	0.4
59.01254	3.7
96.95902	3.0
98.20661	1.1
128.41724	0.4
137.02397	0.5
152.70448	0.5
156.10130	0.5
193.40784	0.5
198.38580	0.4
205.56880	0.5
254.44475	0.5
369.15057	0.5
369.28339	0.7
385.31143	1.4
411.28867	1.9
429.30087	100.0
430.30478	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76516	2.0
54.10780	2.1
59.01253	66.2
70.38869	2.1
71.04896	7.0
71.30352	2.6
71.58194	2.6
73.17245	2.2
74.29142	2.2
78.77908	2.5
96.81342	2.1
96.95860	3.8
119.18241	2.3
124.81743	2.4
261.88916	2.6
322.43158	2.4
353.17227	2.4
390.59622	2.3
411.28989	5.6
429.30020	100.0
429.35895	5.3
430.30225	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	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26470	1.3
59.01254	100.0
70.64169	3.4
70.64513	1.8
71.01210	1.6
94.50758	1.3
157.87982	1.4
295.22763	11.4
296.23383	1.5
323.97937	1.5
412.69034	1.5
429.30145	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
57.03337	2.0
58.00454	0.6
59.01252	100.0
60.01595	1.0
69.03335	0.4
70.34126	1.0
71.01254	10.0
71.04904	0.9
72.99207	0.7
73.02815	3.1
83.01276	1.6
83.04927	0.8
85.02824	3.1
87.00761	1.5
89.02325	5.5
97.02852	0.5
97.06482	1.7
99.00761	0.6
101.02323	4.3
107.04926	4.2
109.02233	0.4
112.97181	0.4
113.02330	4.7
119.03403	1.5
120.05749	0.5
123.04410	0.5
124.43642	0.4
131.03450	0.5
135.04424	7.3
138.06767	2.9
150.54520	0.4
152.04688	0.5
153.09132	7.3
153.10284	0.6
159.02940	0.4
159.11700	0.4
161.04509	1.7
161.09616	3.6
161.13321	2.0
162.10056	0.5
163.11160	0.5
185.13260	0.7
187.11246	5.3
189.09167	1.3
203.10762	0.7
205.12337	2.0
207.10243	1.4
207.13824	0.6
223.13351	22.1
224.13768	1.7
225.14923	12.6
226.15309	0.9
229.12402	0.6
231.10179	0.4
249.11377	1.5
267.12366	15.8
268.12875	1.4
282.67859	0.4
309.13458	0.5
358.13824	0.4
369.19150	1.3
387.20282	1.0
429.13342	0.5
429.22333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
61.16175	0.2
69.59451	1.1
69.59859	0.6
70.27749	0.2
76.57000	0.2
84.60688	0.3
89.30475	0.2
99.92470	5.1
100.93246	3.1
115.91965	100.0
116.91969	4.3
116.92760	6.2
128.80699	0.3
131.91496	0.2
132.92279	1.2
140.88719	0.3
142.94353	0.5
172.95384	5.3
173.95578	0.3
255.23370	0.8
355.15887	0.7
364.93564	0.3
371.15405	0.4
381.17542	1.3
429.19510	3.2
430.19766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29360	0.4
57.03332	0.7
58.63577	0.5
58.95813	0.5
59.01251	100.0
60.01591	1.3
69.03351	0.6
69.63086	3.8
71.00878	0.4
71.01257	12.0
72.99200	1.2
73.02834	2.4
73.94795	0.5
75.00732	0.6
83.01254	1.3
85.02814	4.1
85.03205	0.4
87.00757	3.1
87.37741	0.4
89.02316	9.1
93.03350	0.6
95.01274	1.1
96.95935	0.8
97.06467	0.5
98.20529	0.7
99.00771	0.9
99.04387	1.0
99.32355	0.6
101.02335	6.3
107.04925	0.7
108.82008	0.6
110.61759	0.5
112.22108	0.6
113.02341	6.2
115.03896	0.5
119.03403	2.7
135.04431	3.5
135.08017	0.5
143.03432	0.9
144.28893	0.5
159.11812	0.5
161.04466	2.6
161.09648	1.9
161.13286	1.5
179.05603	1.7
185.13342	1.6
187.11192	3.5
189.09132	0.7
191.05461	1.1
203.10733	1.5
205.12361	1.2
208.19034	0.6
223.13374	7.5
224.13779	0.6
225.14980	1.2
229.12291	3.3
249.11293	0.8
267.12320	5.2
267.15182	0.5
283.11154	0.5
291.12350	0.9
328.14835	0.5
387.20535	1.6
429.17419	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11663	0.5
57.03325	3.6
58.00458	0.6
59.01251	100.0
60.01589	0.6
70.93016	1.0
71.01260	11.1
71.04902	0.8
72.99198	0.9
73.02835	3.1
83.01280	2.4
83.04906	1.2
85.02805	2.6
87.00746	4.7
89.02320	7.6
95.01300	0.7
96.95921	0.7
97.06507	1.6
99.00789	0.7
101.02321	5.8
107.04915	4.7
113.02328	5.3
113.83384	0.5
118.68500	0.5
119.03402	2.1
119.88490	0.5
120.05711	1.5
133.49222	0.5
135.04443	1.8
146.07219	0.6
152.04724	0.6
159.08029	0.9
159.11731	0.7
161.04510	2.4
161.09627	7.4
161.13263	3.5
162.10016	0.6
163.11235	2.0
179.05592	1.9
185.13396	0.8
187.11200	10.4
188.11594	0.9
189.09142	3.4
205.12221	4.3
207.10188	2.9
223.13347	47.1
224.13641	2.6
225.14983	2.4
229.12344	0.8
249.11279	2.9
267.12360	37.5
268.12701	2.8
291.12296	0.6
309.13550	1.2
387.20322	0.7
429.17685	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.7
58.00447	1.5
59.01252	100.0
69.53593	4.3
69.54006	5.4
71.01262	13.3
73.02821	2.7
83.01253	4.0
83.04922	1.9
85.02805	2.3
87.00782	6.8
89.02328	12.3
89.74405	1.5
97.06460	2.6
101.02335	8.1
104.01344	1.2
107.04901	6.9
108.00628	1.3
113.02332	8.1
119.03404	3.6
120.05693	3.2
135.04433	2.4
143.03387	2.0
147.94327	1.4
161.04326	1.4
161.09653	12.5
161.13275	6.5
163.11148	2.4
179.05504	1.5
187.11261	17.2
189.09142	5.5
205.12265	5.3
207.10219	4.3
221.04108	1.3
223.13350	77.4
224.13747	3.2
229.12321	1.4
235.75447	1.3
249.11317	4.5
259.22388	1.7
267.12381	79.0
268.12686	4.7
279.87778	1.4
309.13226	1.8
333.14188	1.6
369.15295	1.7
429.17407	6.7
430.67880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90881	0.8
57.03315	2.6
58.00482	1.0
59.01254	100.0
60.01584	1.1
62.11268	0.8
65.48666	0.8
65.75281	0.7
69.54022	6.9
71.01255	12.1
73.02793	2.0
83.01263	2.5
83.04880	1.6
85.02827	2.7
87.00735	6.7
88.35835	0.8
89.02319	11.2
95.01213	1.2
97.06461	3.7
101.02342	6.5
107.04910	9.6
113.02326	6.5
119.03384	3.3
120.05714	2.0
135.04436	12.5
153.09071	2.0
159.11649	0.9
161.04417	1.5
161.09625	8.1
161.13239	4.5
163.11157	2.7
179.05432	1.6
185.13280	1.0
187.11206	15.9
189.09169	6.7
203.10704	2.8
205.12276	6.0
207.10277	3.9
223.13356	72.4
224.13756	4.0
225.14885	6.8
229.12248	2.5
241.34552	0.9
249.11278	6.8
250.77615	0.9
267.12372	55.5
268.12732	3.3
291.12515	1.6
309.13354	1.5
369.15329	1.3
387.20367	1.2
400.38092	0.8
428.24066	0.9
429.17990	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10312	3.2
55.99129	3.5
57.03332	20.6
59.01243	15.0
71.01263	11.7
71.38498	6.6
72.99191	3.4
73.02814	4.1
75.00732	3.3
83.01262	8.5
85.02824	100.0
87.00754	5.5
89.02306	3.8
93.03329	4.3
101.02312	7.7
102.28695	3.2
106.90113	3.2
111.00777	26.2
116.93621	3.8
129.01836	27.2
137.02330	5.9
149.02328	7.9
161.04315	3.5
164.04698	6.1
191.05608	15.0
205.03450	30.6
211.05946	3.6
219.77528	3.2
223.02303	3.4
223.04512	68.4
223.06467	4.8
225.07570	9.6
387.10629	3.3
435.76532	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	429.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99342	0.6
59.01247	3.9
69.30119	1.9
69.30536	6.8
69.36613	0.7
71.01259	2.0
85.02824	1.4
87.00754	100.0
88.01084	1.7
88.03929	1.7
88.43912	0.9
89.02328	2.4
98.20550	1.7
98.81392	0.8
101.02325	1.2
113.02324	0.8
117.37078	0.7
122.25932	0.7
132.02969	1.1
134.61194	0.8
341.10916	3.4
349.27438	0.8
369.04568	0.9
429.12445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1402
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
55.01754	0.3
56.61155	0.2
57.03326	0.4
59.01254	17.4
60.01582	0.2
65.03835	0.5
69.03368	0.2
69.44223	1.5
71.01253	9.9
72.99185	0.6
73.02825	6.3
73.03242	0.3
75.00728	0.3
81.03338	0.2
83.01263	1.7
85.02827	5.0
85.03352	0.3
87.00755	0.7
89.02316	2.4
93.03338	100.0
93.40968	0.2
94.03669	2.8
95.01278	0.5
96.95899	0.5
97.02818	0.4
98.19759	0.4
99.00764	3.4
101.02323	6.2
109.02769	0.2
113.02332	6.2
119.03410	0.4
125.02328	0.8
129.01768	0.3
131.03366	0.8
135.04414	0.3
137.02364	0.2
143.03392	0.8
152.01125	0.3
159.02875	0.7
160.03995	0.2
161.04472	6.3
167.03362	0.3
177.05457	0.2
189.05481	0.3
191.01791	0.3
191.05496	0.5
203.05550	1.9
205.03293	0.2
207.10239	0.3
255.08731	1.3
265.09332	0.2
290.36801	0.2
293.08640	0.2
297.09763	3.6
298.09857	0.2
335.75229	0.2
369.11743	0.4
387.12952	14.6
388.13446	0.9
429.13794	12.2
430.14468	1.4
430.19934	0.3
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
59.01256	100.0
64.01334	1.3
69.23720	16.5
98.19776	3.4
99.92470	6.5
118.89887	6.5
140.10945	1.7
181.15559	1.5
291.04828	1.5
293.21240	4.3
367.13614	2.8
371.21777	1.3
374.90128	1.4
392.13043	2.1
427.28738	11.9
428.10413	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	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	4.0
57.03325	21.1
59.01241	1.8
65.65122	0.7
67.01775	1.3
68.94842	0.7
68.99703	1.2
70.28786	3.1
71.01255	5.1
72.99171	1.3
73.02824	1.1
75.00739	1.9
83.01254	9.8
83.91335	0.8
84.02031	2.6
85.02824	100.0
85.82983	0.7
86.03162	1.5
99.00767	1.7
101.02326	5.3
110.99991	0.8
111.00765	27.0
129.01837	38.2
130.02150	1.1
135.06110	0.9
147.04427	1.0
149.02370	5.3
161.04478	2.8
164.04694	6.3
187.02425	1.3
193.01404	0.9
193.05144	1.5
205.01602	1.6
205.03470	21.5
208.03741	1.7
217.83852	0.8
223.04308	13.4
223.06174	5.2
311.41629	0.8
316.07956	0.7
345.98611	0.9
369.79913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.06822	4.7
75.03289	2.0
75.53989	1.7
78.95804	2.9
94.13384	1.9
96.95885	21.9
96.96830	2.2
99.92484	4.3
101.37027	1.9
112.46564	1.9
118.89877	6.2
119.89950	2.5
132.53375	1.8
135.04388	3.6
135.90210	2.0
147.04399	2.2
221.36743	2.1
293.21158	4.7
332.62671	2.2
404.49054	1.9
427.28653	10.7
428.10413	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90027	1.7
59.01254	100.0
60.01601	1.6
71.53797	2.2
90.93218	2.3
91.03899	3.1
148.52338	1.9
169.31323	1.9
190.67224	1.8
219.67000	1.9
256.83429	1.8
293.21277	15.0
311.22354	5.6
371.50336	1.7
417.55350	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75012	0.6
51.06375	0.6
57.03319	0.9
58.47488	0.6
59.01253	17.3
69.69849	4.4
71.01254	22.4
72.99171	6.4
87.00758	0.6
90.93194	0.7
92.92676	1.0
96.95879	1.6
97.06422	0.9
98.19796	1.2
115.00256	12.4
123.08005	0.7
125.05934	0.8
125.09626	2.6
133.01305	5.1
141.09122	1.5
151.40202	0.6
153.09116	1.1
155.14349	1.1
163.69580	0.6
167.10674	0.6
170.00764	0.6
171.10159	2.0
199.09729	1.0
200.10362	1.6
216.19250	0.6
221.01445	0.7
221.03947	0.6
243.19481	0.7
249.22165	2.1
275.20251	1.6
293.21213	7.9
294.21570	0.7
311.22272	100.0
312.22610	9.3
365.23300	1.4
409.22522	3.0
410.22775	0.9
427.23404	0.7
427.28696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03321	1.9
57.55893	0.7
58.00463	1.2
59.01251	100.0
60.01583	1.4
63.02150	0.6
69.03315	1.2
69.53461	5.1
71.01253	37.9
72.99191	3.1
73.02818	30.7
77.24759	0.7
79.95615	0.7
81.00587	0.6
83.01259	10.0
83.04899	0.7
85.02821	8.3
87.00758	6.1
87.64514	0.6
89.02314	13.2
95.01263	1.5
96.95898	1.7
97.02823	1.1
98.20541	1.3
99.00782	2.3
101.02322	32.8
102.02627	0.8
107.01762	0.6
109.02866	0.8
111.00781	0.8
113.02327	10.7
115.81973	0.6
119.03385	4.9
119.04958	0.8
121.02874	2.2
125.02338	1.5
125.09628	0.8
131.03424	1.4
133.06506	1.2
135.04401	0.8
137.02371	2.0
137.09631	0.7
143.03442	2.7
147.04491	0.7
149.04478	1.7
151.03949	0.9
155.03418	0.8
159.03017	0.8
161.04443	6.8
161.09613	4.1
175.07596	1.7
175.11290	0.9
176.08333	2.1
179.05557	1.4
187.11215	13.9
188.11548	1.0
189.09222	1.4
190.09909	3.8
191.05597	0.8
203.10706	1.4
203.14516	0.8
204.11566	3.0
205.12277	20.5
206.12662	1.6
215.10802	2.5
221.06656	1.0
233.11800	10.8
234.12518	0.7
259.13358	4.9
277.14389	3.8
318.51440	0.7
332.38989	0.9
385.15140	1.8
406.59265	0.7
427.20013	14.2
428.20044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.03331	4.0
59.01254	100.0
61.98700	0.7
69.03334	1.3
69.49352	4.9
71.01257	25.2
71.04890	0.7
72.99189	1.8
73.02819	15.8
75.00755	1.3
75.28284	0.5
81.03346	1.1
83.01270	5.0
83.04902	0.8
84.20702	0.5
85.02827	5.3
87.00767	3.1
89.02307	7.4
89.02734	0.5
93.03337	0.6
95.01286	1.2
95.04892	0.7
96.95916	1.3
97.02856	2.0
97.06481	1.1
98.20604	1.1
99.00781	1.8
101.02324	15.6
109.02840	0.7
109.06487	1.0
111.04451	0.8
111.08051	1.4
113.02327	8.5
113.06016	0.9
119.03434	1.6
122.03649	1.0
123.04412	0.7
123.08070	1.8
125.02339	1.2
125.05998	1.2
131.03421	1.0
136.05225	1.5
137.05945	0.6
138.06783	6.9
139.07556	2.2
143.03424	1.4
147.08102	2.9
149.04465	0.9
149.06030	1.8
151.07558	7.6
152.08344	13.0
153.09128	35.7
154.09521	1.9
160.36937	0.6
160.62918	0.6
161.04483	4.0
163.11220	1.7
165.09145	10.5
166.09497	0.7
179.05647	0.8
179.10735	0.7
187.11147	0.7
190.09837	1.1
205.12292	18.4
206.12642	1.6
221.11856	1.4
222.12607	4.7
223.13359	11.1
224.13699	0.9
367.17950	2.4
370.49442	0.6
385.18790	1.7
427.20151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52877	0.6
55.01738	0.7
57.03307	1.2
58.00459	1.4
59.01251	100.0
60.01574	0.9
69.03335	0.9
69.39563	2.5
69.39986	2.8
71.01257	39.0
72.99188	1.7
73.02819	35.6
76.51236	0.6
83.01253	8.8
85.02818	7.6
86.02406	0.6
87.00779	1.6
89.02315	14.7
93.03394	0.6
95.01250	3.1
96.95892	0.6
97.02847	0.7
98.49325	0.6
99.00777	1.4
99.04448	0.6
101.02327	32.7
109.02849	1.6
112.00290	0.6
113.02330	19.6
113.75100	0.6
118.48685	0.5
119.03425	4.5
121.02872	1.4
125.02357	2.3
131.03467	3.5
132.04463	2.7
137.06018	1.3
139.00148	0.7
143.03433	2.0
149.04485	2.3
151.03979	1.2
151.07538	3.1
153.09116	13.1
157.07649	2.6
161.04482	9.6
161.09662	1.3
161.95267	0.6
163.04071	0.7
165.05531	0.6
169.32059	0.6
175.07573	0.7
176.03436	0.7
176.93309	5.3
177.12788	2.0
179.05571	1.5
179.10728	2.7
181.04967	1.3
205.12267	19.0
206.12679	1.3
219.07806	1.3
223.09889	1.3
223.13318	3.1
234.07729	0.9
280.89615	0.6
345.51950	0.6
367.17606	3.7
383.12274	0.7
385.18756	4.2
427.11588	1.4
427.19797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38729	0.4
55.55214	0.4
59.01252	100.0
60.01598	0.9
69.36794	4.1
69.51435	0.4
71.01275	0.9
83.01263	0.6
85.02832	0.4
101.02323	0.6
108.02098	0.3
121.02859	7.2
125.02349	0.8
148.05202	6.0
156.38463	0.4
163.07561	7.1
167.03453	1.4
171.83189	0.4
179.07057	0.4
191.05563	0.7
205.51308	0.4
209.04463	2.2
239.05655	0.7
289.78159	0.5
307.11850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03321	1.9
57.55893	0.7
58.00463	1.2
59.01251	100.0
60.01583	1.4
63.02150	0.6
69.03315	1.2
69.53461	5.1
71.01253	37.9
72.99191	3.1
73.02818	30.7
77.24759	0.7
79.95615	0.7
81.00587	0.6
83.01259	10.0
83.04899	0.7
85.02821	8.3
87.00758	6.1
87.64514	0.6
89.02314	13.2
95.01263	1.5
96.95898	1.7
97.02823	1.1
98.20541	1.3
99.00782	2.3
101.02322	32.8
102.02627	0.8
107.01762	0.6
109.02866	0.8
111.00781	0.8
113.02327	10.7
115.81973	0.6
119.03385	4.9
119.04958	0.8
121.02874	2.2
125.02338	1.5
125.09628	0.8
131.03424	1.4
133.06506	1.2
135.04401	0.8
137.02371	2.0
137.09631	0.7
143.03442	2.7
147.04491	0.7
149.04478	1.7
151.03949	0.9
155.03418	0.8
159.03017	0.8
161.04443	6.8
161.09613	4.1
175.07596	1.7
175.11290	0.9
176.08333	2.1
179.05557	1.4
187.11215	13.9
188.11548	1.0
189.09222	1.4
190.09909	3.8
191.05597	0.8
203.10706	1.4
203.14516	0.8
204.11566	3.0
205.12277	20.5
206.12662	1.6
215.10802	2.5
221.06656	1.0
233.11800	10.8
234.12518	0.7
259.13358	4.9
277.14389	3.8
318.51440	0.7
332.38989	0.9
385.15140	1.8
406.59265	0.7
427.20013	14.2
428.20044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31989	0.8
52.53801	0.8
57.03335	1.8
58.23967	0.8
59.01253	100.0
60.01577	1.5
68.72372	0.9
69.03328	1.0
71.01255	21.5
71.59113	1.3
73.02821	10.7
75.54737	0.7
83.01260	3.6
83.04904	1.3
85.02840	6.7
87.00756	1.5
89.02331	5.9
93.03358	1.2
95.01293	1.1
96.95903	2.5
97.02878	0.9
99.00777	5.3
101.02325	11.7
107.04926	0.8
109.02869	1.0
113.02341	8.1
119.03398	1.4
121.02823	1.0
121.06374	0.8
123.04352	1.2
125.02300	1.7
132.05711	1.0
133.06494	54.5
134.06841	2.7
137.02348	1.9
161.04483	6.1
161.05617	0.9
163.11197	9.4
165.09123	1.3
171.08104	1.1
179.10666	1.1
181.12250	20.2
182.12604	1.6
187.11250	3.3
189.12799	3.6
190.09915	4.8
191.05502	1.5
205.12317	5.9
223.13380	2.2
236.54561	0.9
269.78622	1.0
367.17691	1.1
391.90411	0.8
399.79755	0.8
427.15625	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	426.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
63.50097	0.8
65.53426	0.8
67.01749	1.9
69.03331	0.8
71.01263	1.9
71.41616	0.8
72.26109	0.7
72.99190	6.6
73.02842	1.1
74.81895	0.7
85.02821	9.6
87.00746	3.9
93.03339	10.1
97.90279	0.7
98.19807	1.7
107.04894	0.9
109.02824	3.0
111.04414	2.5
121.02869	2.1
123.00753	1.1
123.04411	1.1
125.02334	1.3
127.03904	2.3
129.01799	1.5
131.15546	0.8
135.04407	2.5
137.01414	0.9
137.02376	4.9
138.05498	0.9
139.03893	1.1
142.47530	0.8
145.02792	2.0
147.04408	1.2
148.03934	1.4
149.02330	1.6
151.03894	6.8
153.01837	2.2
160.03970	2.3
162.05531	2.6
163.03886	5.1
167.03464	0.9
171.02908	1.4
172.03915	2.9
173.04488	8.7
178.05000	9.3
179.03429	0.8
184.62566	0.8
188.03423	1.7
189.01909	2.0
190.05042	4.9
191.05545	100.0
192.02972	2.5
192.05919	3.7
193.01263	0.9
204.02840	1.0
205.03511	0.8
207.02933	1.2
216.02959	9.7
229.18765	1.0
234.04050	15.2
235.04298	1.2
247.04477	2.4
252.05136	9.4
275.48941	0.8
408.09119	3.0
426.10406	10.0
427.10452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.6
71.01256	25.1
72.65179	0.7
72.99187	8.5
73.02813	1.0
87.00741	0.7
89.31372	0.7
91.47229	0.6
98.19650	1.1
115.00261	15.1
116.06471	0.7
117.08339	0.9
125.05957	1.0
125.09623	3.6
133.01323	7.3
137.09552	0.8
139.11214	0.7
141.09135	1.2
153.09044	0.9
153.12756	0.8
171.10188	3.2
183.13826	1.6
195.13843	2.0
199.09776	4.1
200.10510	2.6
200.63129	0.7
201.11224	2.6
211.13367	2.9
213.11534	0.9
213.14827	1.5
247.20589	3.4
263.20197	0.9
265.21899	0.9
273.18396	0.7
280.51318	0.8
291.19626	6.3
295.03125	1.0
295.06674	0.8
309.20709	100.0
310.21075	10.0
330.66086	0.7
363.21948	1.3
389.20355	0.7
407.20883	2.4
425.18866	1.2
425.29050	9.4
426.29736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77769	1.0
58.28408	1.1
59.01237	2.4
70.60480	2.3
70.60876	2.1
71.01244	1.2
77.47182	1.0
80.96410	1.4
96.95911	1.7
183.04494	1.8
183.13841	9.1
195.13846	25.2
211.13347	31.6
212.13664	1.8
213.14932	9.2
235.82677	1.0
267.06625	7.8
315.27066	3.0
359.25995	2.2
377.27057	2.6
393.17078	1.3
407.27948	2.3
425.29111	100.0
426.29395	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	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56501	0.2
59.01259	1.0
65.03840	0.6
67.41587	0.2
69.84098	0.9
71.01281	0.3
73.02801	0.5
83.04895	0.3
93.03336	66.4
94.03668	2.3
101.02345	0.4
112.41814	0.2
137.02344	100.0
138.02679	3.2
151.03827	0.2
167.62657	0.2
245.15240	0.2
279.47803	0.2
393.89795	0.2
413.56210	0.2
425.14697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1819
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
59.01265	20.3
66.75830	9.8
69.72437	59.4
71.01257	11.3
73.38382	10.0
98.61400	8.9
110.42924	9.6
111.04417	13.9
112.28969	11.6
113.05964	10.2
114.58062	8.4
125.05956	28.5
128.63969	8.8
136.05225	18.2
136.61520	9.9
138.06773	20.5
139.07556	33.7
151.07567	89.5
152.08318	44.6
153.09158	20.6
163.04028	12.1
163.07538	15.9
188.37955	11.1
189.09120	11.7
201.12825	34.3
203.10774	11.1
204.11559	43.6
219.13843	100.0
221.08276	15.2
243.13947	11.5
263.12921	92.7
330.80173	10.2
368.47864	11.0
414.36572	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	425.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	14.7
65.34908	2.4
71.01260	9.5
74.16115	3.5
79.95609	4.5
83.01258	3.2
85.02818	5.0
89.02319	3.7
93.03346	4.8
96.95892	100.0
101.02339	3.5
109.02832	6.0
122.76102	3.0
123.04463	3.1
125.02340	13.1
135.04402	4.7
137.02338	19.7
149.85765	3.2
151.03915	5.6
154.27885	3.0
173.04617	3.6
175.03918	3.9
177.01918	4.8
191.05533	14.8
219.07053	3.1
219.68121	2.8
255.02818	5.4
263.05899	29.2
388.52258	3.4
407.07626	10.5
425.11182	22.6
425.19727	6.1
440.29773	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	425.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	27.7
64.43700	1.6
64.83503	1.6
66.20647	1.6
66.47205	1.7
71.01234	3.6
71.58157	1.8
71.58527	1.9
72.00773	1.7
74.02345	4.3
86.02354	13.1
92.04935	4.9
93.03349	2.2
96.95872	5.1
100.00288	1.9
101.68237	1.6
102.99390	2.1
109.02814	2.1
112.00293	20.1
120.04459	2.7
121.02836	2.0
122.03576	1.7
131.03654	8.6
132.04425	17.0
137.02324	5.1
142.09007	1.8
144.04442	14.5
145.03976	3.4
147.09511	1.6
147.22760	1.9
149.02348	19.9
149.05988	13.0
150.03078	2.9
151.03891	2.2
157.07628	34.5
158.06015	5.0
163.04041	1.5
164.04707	28.1
165.05264	2.9
171.10168	13.3
172.02676	2.3
173.03429	2.9
175.00246	5.5
175.08597	1.7
179.07045	30.5
183.05696	3.5
190.02667	20.6
191.05594	2.2
201.06761	4.1
203.10867	2.5
205.04997	53.0
206.05388	3.2
208.07652	3.3
209.08131	24.9
215.09196	9.8
218.04582	2.0
219.07710	87.5
220.08051	4.5
221.11639	4.2
222.07623	4.8
233.06795	2.8
245.05646	6.7
246.15849	1.9
248.09264	6.4
252.06558	5.2
254.04536	4.0
265.53854	1.7
280.06097	4.2
284.09247	4.3
292.08301	3.0
294.07495	2.2
295.08383	6.3
296.08084	3.2
310.10770	7.5
311.10953	1.9
353.11429	6.2
381.14484	5.6
395.64801	2.7
395.85886	2.2
407.12436	4.8
425.13541	100.0
426.13760	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10629	0.7
70.11023	0.6
71.90417	0.2
78.95776	3.2
80.96419	0.3
81.83514	0.3
82.95980	0.4
92.19141	0.3
110.98423	3.2
120.31153	0.3
140.74883	0.3
167.01051	1.1
173.62534	0.3
185.02170	3.2
186.02538	0.3
187.02571	0.3
190.19151	0.3
255.23286	100.0
256.21109	0.6
256.23651	8.0
285.72626	0.3
298.85266	0.3
304.59030	0.3
353.89624	0.3
423.25256	3.9
424.25717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37805	0.4
69.89155	2.4
70.01880	0.4
75.99953	0.4
78.95779	5.3
98.20431	0.8
110.98399	3.9
117.13905	0.4
145.05923	0.5
163.25314	0.4
167.01103	3.0
171.92000	0.4
172.35213	0.4
185.02148	3.1
255.23270	100.0
256.23618	8.1
276.31540	0.4
308.43021	0.5
423.25232	6.0
424.25427	0.7
435.58636	0.4
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
52.03523	0.5
60.49636	0.4
64.82177	0.5
71.11916	0.4
71.57491	0.8
71.57873	0.6
75.95982	0.5
78.95773	5.9
110.98415	3.7
116.21586	0.5
167.01044	3.2
185.02110	2.6
213.76436	0.6
255.23279	100.0
256.23630	7.8
413.12567	0.6
423.25192	6.1
424.25711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69511	0.3
76.97909	0.3
78.95781	4.4
87.51078	0.3
88.92812	0.3
106.99422	0.4
110.98415	3.7
167.01099	1.8
185.02115	3.0
197.91458	0.4
237.22125	0.4
237.33270	0.3
255.23285	100.0
256.23636	9.6
423.25104	4.6
424.25497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72063	0.8
55.01763	7.3
57.03327	4.9
58.00480	1.8
58.62660	0.8
59.00951	2.1
59.01250	40.3
67.12586	0.9
69.49541	8.0
71.01254	59.1
72.99178	3.3
73.02822	30.3
75.00761	1.7
83.01257	15.8
85.02824	28.0
85.99976	2.4
86.03205	1.0
87.00736	2.4
88.39140	0.9
89.02319	11.6
95.01263	3.6
96.95876	1.3
97.02826	2.6
99.00760	17.6
101.02324	57.1
109.02836	1.5
111.00745	1.8
112.01565	1.1
113.02330	24.5
114.02636	1.5
119.03382	1.4
119.69796	0.9
125.02322	1.5
127.11172	1.2
129.01797	1.9
131.03413	1.9
135.04364	1.0
143.03429	1.6
159.02884	5.7
161.04468	24.7
197.56198	0.8
205.03506	1.3
268.87732	1.0
283.35062	0.9
291.18140	75.2
292.18478	6.8
296.32169	0.9
325.92371	0.9
352.01730	1.0
372.34726	0.9
372.85727	0.9
406.70932	1.0
423.22351	100.0
424.22736	10.8
442.31076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43581	0.3
62.65025	0.3
70.55287	0.8
75.98562	0.3
78.95776	13.0
103.51740	0.3
104.97334	0.5
108.56465	0.4
110.98418	9.2
134.26509	0.3
151.11403	0.4
152.99507	0.4
156.21701	0.4
167.01065	11.5
185.02141	2.5
195.97078	0.4
255.23279	100.0
256.23636	9.2
332.33914	0.4
343.38464	0.3
423.25189	14.3
424.25546	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.4
57.03313	3.7
58.00465	1.6
59.01253	38.8
63.84409	0.7
67.98951	0.6
68.72061	0.7
69.03327	1.0
70.98877	2.3
71.01254	61.0
72.01597	1.2
72.99184	4.1
73.02819	30.7
73.45119	0.7
75.00741	1.4
78.88537	0.8
80.96384	1.1
83.01255	14.2
85.02827	34.9
85.99968	2.2
86.03166	0.8
87.00753	2.7
89.02317	10.8
95.01277	4.4
97.02827	2.9
99.00758	15.2
101.02326	59.7
103.93909	0.7
109.02890	1.0
111.00780	1.8
112.01601	1.2
113.02334	23.5
125.02341	2.2
127.11147	0.9
129.01796	1.8
129.12679	0.9
131.03366	2.1
143.03452	1.7
151.03955	0.9
159.02882	4.5
161.04457	23.2
291.18134	77.3
292.18539	4.9
335.17090	1.0
423.22351	100.0
424.22675	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	423.2179
Annotation	Walsurin
Peak:m/z	Relative Intensity
57.03308	0.7
59.01247	0.6
65.03835	0.9
67.01747	1.3
69.59024	3.8
83.01255	1.1
85.02818	5.9
88.98676	1.6
89.02303	0.7
90.37717	0.4
96.95873	0.6
109.02838	3.3
119.04845	0.7
121.02065	0.7
121.02848	7.3
130.50278	0.5
133.02841	1.0
135.04405	0.9
137.02330	0.6
157.06499	4.8
159.04430	4.3
160.05202	1.0
171.04465	0.8
172.05194	1.5
173.05951	1.9
183.04497	0.8
185.02365	0.9
185.06030	1.0
186.06766	1.4
194.07301	1.8
195.08163	0.6
198.06839	0.9
199.03993	0.9
199.07532	0.9
201.05499	1.6
207.09959	2.0
209.06099	0.8
211.07613	8.0
211.13376	4.1
212.08173	1.1
213.05501	1.3
214.06303	0.8
221.15382	0.6
223.07587	2.6
224.08282	0.7
225.05420	1.1
227.07042	1.6
228.07794	0.6
233.11703	0.8
238.06367	1.1
239.07089	1.9
241.05106	1.2
251.07040	0.6
253.04967	1.1
253.08879	0.5
253.78610	0.6
255.06609	100.0
255.23280	2.1
256.07220	12.4
267.06610	23.2
268.07318	4.6
269.07822	0.6
270.05392	0.7
283.17072	1.7
285.07687	9.7
286.08444	11.0
287.08838	0.8
288.06482	1.0
291.73666	0.5
295.17017	1.4
301.18182	0.8
309.20621	0.7
311.19882	0.9
331.18582	0.6
338.18716	0.6
381.20718	0.7
393.20520	0.9
405.20834	8.5
405.26309	1.6
406.21167	1.6
423.21799	63.8
424.22076	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	423.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56654	0.5
57.27736	0.6
59.01245	0.6
69.76247	1.2
69.76674	2.8
72.34660	0.6
76.91936	0.6
89.20014	0.5
97.02882	0.9
98.20552	0.8
103.52129	0.6
114.47930	0.7
115.69633	0.7
125.02361	0.8
137.02335	2.3
146.03641	4.6
149.05989	11.6
151.03922	2.5
159.04462	7.4
162.03169	1.0
167.09439	0.6
172.05226	5.7
177.05493	100.0
178.05850	5.5
180.59607	0.6
187.07658	1.6
191.27255	0.6
192.07861	50.8
193.08211	2.1
197.06116	0.8
207.10236	7.8
208.10478	0.8
211.13315	3.7
215.10727	20.9
216.11113	1.4
225.05641	0.7
253.43279	0.8
255.02820	1.0
257.15485	2.6
259.46869	0.6
281.04434	2.7
308.10159	0.6
309.07495	0.8
324.09924	3.0
339.12427	1.2
393.17065	8.2
408.19412	36.6
409.19647	3.7
423.21890	16.4
424.22321	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	423.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.8
57.03321	3.7
57.97435	28.7
58.00467	1.2
59.01253	100.0
68.29195	1.0
69.49541	3.7
69.49968	5.0
71.01254	36.3
72.01604	1.4
72.99194	1.2
73.02823	23.6
74.91177	1.0
83.01252	6.5
85.02820	17.9
87.00764	2.4
89.02319	7.5
95.01280	3.0
96.95892	72.6
97.02814	1.3
97.06480	1.6
97.95827	1.6
98.20533	1.5
98.95491	3.6
99.00757	9.8
99.04458	1.8
101.02319	27.6
109.02860	1.1
111.00748	1.2
113.02335	14.4
119.03381	1.5
120.87823	1.0
125.02347	3.1
125.09612	13.5
126.09872	1.0
129.01807	1.2
131.03384	2.1
142.56291	1.2
143.03400	1.9
150.28535	1.2
159.02908	2.0
161.04459	10.5
166.89471	1.2
168.04475	1.0
187.09660	15.3
191.05548	1.2
231.12312	1.1
249.13393	33.2
250.13847	2.2
291.14645	2.3
344.17303	2.0
363.16751	2.9
381.17685	44.5
382.18069	3.6
423.10104	1.6
423.18857	55.6
423.25565	3.3
424.08157	1.6
424.12946	7.4
424.19214	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	423.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
62.83173	1.8
69.03358	2.1
69.26468	7.0
69.26889	11.5
71.01257	20.1
73.02824	16.8
75.00767	1.7
82.08137	1.7
83.01282	5.8
85.02817	12.1
87.00771	2.8
89.02330	5.0
95.60088	1.7
96.95888	4.1
99.00760	7.0
101.02318	20.0
103.69111	2.0
109.02826	2.9
113.02309	10.3
119.03410	2.0
120.99550	2.0
125.02342	3.4
131.03415	1.8
135.04419	2.7
139.30981	1.7
143.03471	1.7
153.01891	2.2
161.04491	5.9
187.09689	1.6
191.05585	2.5
231.12422	1.9
249.13405	23.6
363.16553	2.7
381.17627	28.7
409.81351	1.8
423.18741	27.6
423.25943	7.9
424.19003	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	423.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46737	0.4
55.01756	2.4
55.43423	0.4
57.03319	1.9
58.00473	0.9
59.01251	100.0
60.01586	1.1
61.46719	0.4
70.92690	0.7
71.01254	28.2
72.01595	0.6
72.99182	1.5
73.02819	22.9
74.03172	0.4
75.00767	1.2
80.72023	0.5
83.01251	7.0
85.02821	14.8
85.99956	0.6
86.03203	0.4
87.00764	1.6
89.02325	6.0
95.01289	2.5
96.95905	0.7
97.02829	2.2
99.00762	8.9
101.02322	32.5
102.02697	0.9
108.17887	0.4
111.00786	1.1
112.01574	1.1
112.92152	0.4
113.02334	13.6
119.03402	0.6
120.99559	0.7
122.72371	0.4
124.01527	0.4
125.02330	2.2
125.09596	1.1
131.03404	2.8
135.04401	0.8
143.03387	1.8
155.55174	0.4
157.08664	0.5
159.02882	2.4
161.04478	8.9
183.10173	1.2
187.09746	1.4
191.05594	0.9
231.12329	2.5
232.80101	0.4
249.13397	39.4
250.13852	2.2
251.94464	0.5
291.14465	3.4
363.16849	1.9
381.17654	42.7
382.17996	3.6
423.18701	42.9
424.19077	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	422.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54908	9.2
59.01255	97.6
60.01553	8.9
69.03345	11.0
71.01246	46.6
71.58560	12.9
72.99200	9.6
74.02338	16.9
80.40027	7.9
83.01282	12.1
85.02830	26.8
87.00764	13.7
89.02334	58.2
90.02678	10.3
99.05473	8.3
101.02303	32.6
102.02705	13.8
105.14119	8.8
113.02370	16.3
119.03398	25.9
120.00161	8.9
125.02325	55.5
128.03426	35.6
130.18361	8.6
137.02411	22.1
143.03523	10.4
143.04475	47.0
145.02971	9.3
191.05566	54.6
210.08717	17.3
248.63631	10.4
254.07867	20.1
261.13419	17.8
272.08832	22.8
282.34497	9.3
285.04001	35.9
288.06665	14.0
306.07727	100.0
422.21057	37.8
423.07172	32.9
423.18698	14.2
423.26004	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	423.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09784	0.7
55.01750	0.9
55.40302	0.6
57.03311	0.8
58.90775	0.6
59.01254	41.2
63.35880	0.6
63.64151	0.6
71.01256	3.9
72.99189	0.7
73.02822	43.6
76.41968	0.7
83.01278	1.8
85.02831	2.2
86.96077	0.7
87.04395	2.5
89.02301	2.3
96.95909	1.0
97.02863	1.1
101.02323	2.5
105.30633	0.7
109.02818	2.2
113.02319	2.4
119.03352	0.9
123.04436	0.7
125.00312	0.7
125.02357	1.0
125.09605	2.2
126.72434	0.7
127.07570	0.8
137.02338	1.1
139.11230	0.8
149.02448	1.2
149.05992	3.0
151.03870	1.1
161.04454	0.8
173.06032	1.9
175.03923	0.9
181.12386	1.7
187.09692	25.8
188.10056	1.4
199.13321	6.2
201.11273	18.8
202.11600	1.3
202.26346	0.7
225.11415	0.9
229.04987	1.0
243.12422	6.9
247.06236	0.8
261.13431	100.0
262.13751	6.1
266.91382	0.7
273.04138	1.1
285.13263	1.2
303.14670	4.0
335.05966	1.2
363.16586	0.9
399.89175	0.8
405.24753	0.9
423.10950	1.9
423.18530	5.1
423.26022	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41048	0.7
61.34498	0.5
61.54747	0.6
66.76701	0.6
71.21447	1.0
78.95775	35.6
80.96403	1.6
110.98417	56.6
129.69664	0.6
150.72551	0.6
152.99490	4.6
167.01036	1.6
185.02133	100.0
186.02423	1.6
197.29036	0.6
197.36569	0.7
200.35419	0.7
253.21703	26.3
254.22115	3.7
370.73227	0.7
421.23639	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	13.7
59.06741	7.4
71.45914	13.0
71.46248	9.4
77.23344	9.5
80.96391	11.2
88.98679	100.0
89.02321	10.1
97.02820	20.1
97.06509	15.2
121.02840	75.0
122.03178	34.5
137.09685	12.4
163.03827	10.9
193.08417	25.7
262.11826	74.8
267.41724	8.5
269.04556	23.6
309.20746	8.8
331.18829	26.6
333.64685	9.0
410.80945	9.3
421.09244	51.1
421.15570	15.3
421.27991	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02051	12.5
59.01260	31.0
60.99163	21.0
62.19291	12.0
63.85830	14.5
70.82809	15.2
70.83125	25.9
80.96376	11.7
88.98680	100.0
93.03342	22.4
95.76688	13.3
96.95901	16.3
97.02818	31.3
114.27502	12.9
121.02859	62.1
122.03259	16.0
123.04523	19.1
129.10291	12.6
139.11255	17.2
147.08096	19.5
165.09119	16.5
185.11781	45.6
233.11664	15.7
233.15404	39.7
241.05029	23.7
257.04507	15.8
267.62964	16.9
269.04596	50.5
270.05045	19.9
299.05734	21.7
313.17859	17.5
331.18918	33.9
349.20139	32.3
351.49051	13.5
403.24911	63.5
410.37692	17.9
421.09253	97.5
421.16104	16.8
421.27426	32.9
422.09592	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	421.2596
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03329	1.3
59.01252	4.7
68.68530	1.1
69.03302	2.0
71.55013	1.2
80.96375	1.7
81.03330	1.8
83.04894	7.8
85.06450	3.0
93.03351	1.1
95.04928	1.2
97.06478	3.4
105.06987	0.9
109.06458	2.1
111.08051	4.8
123.08037	2.3
125.09610	10.5
127.11178	1.0
137.09628	1.4
160.48502	1.0
171.10176	27.1
171.11644	1.6
185.11707	2.0
187.14810	1.4
205.15956	4.6
209.11769	4.1
211.13348	5.5
215.14304	2.0
219.10268	1.3
221.15424	2.4
231.13846	2.9
233.15424	35.9
234.15758	4.2
237.14877	1.0
249.14957	16.5
251.16418	2.3
257.17471	1.4
323.23950	1.6
331.26462	3.1
341.24905	3.4
359.25809	2.8
375.25369	2.2
377.26971	2.1
385.23874	7.8
393.26367	2.1
403.24902	70.6
404.25070	8.8
421.09705	2.3
421.16830	2.6
421.25940	100.0
422.26236	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	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	7.7
57.03318	4.9
58.00476	1.8
59.01253	52.4
67.14721	1.0
69.03320	1.6
70.26694	3.9
71.01255	89.1
71.04876	1.3
72.99187	3.8
73.02821	40.5
75.00747	3.1
76.07419	1.0
78.20704	1.1
83.01253	15.1
85.02826	41.9
86.03139	1.2
86.99059	1.0
87.00730	3.4
89.02319	15.4
95.01254	6.8
96.95918	2.4
97.02832	3.6
99.00754	22.3
99.01356	2.0
101.02326	57.0
111.00758	2.2
113.02333	37.4
125.02348	3.2
129.01823	2.6
131.03384	1.3
142.90817	1.2
143.03384	3.1
159.02890	7.3
161.04463	45.2
191.05574	1.8
205.03355	1.8
213.05493	1.2
217.67706	1.0
241.05145	2.0
242.05893	1.2
255.02972	2.2
269.04510	4.0
289.16574	52.1
290.16916	2.3
404.97250	1.1
421.09360	12.7
421.20807	100.0
422.09320	1.5
422.21277	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	421.2082
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
51.21576	0.9
55.01733	3.8
57.03307	3.2
58.00452	3.9
59.01252	100.0
60.48301	1.0
69.41363	2.2
69.41782	6.2
71.01256	74.6
72.01558	1.1
72.99166	3.3
73.02824	27.3
83.01253	5.1
85.02363	1.2
85.02826	21.5
87.00727	2.4
89.02320	79.2
90.00513	0.8
90.02633	1.5
95.01258	6.6
97.02854	1.0
99.00763	89.2
100.01069	1.5
101.02325	39.1
111.00709	0.8
112.01559	1.7
113.02338	47.5
114.02612	0.9
119.02592	1.4
119.03394	23.7
125.02329	1.7
131.03406	11.4
143.03397	5.1
149.04480	33.7
161.03232	1.7
161.04471	24.3
179.05539	7.0
191.05554	41.5
233.06624	5.5
241.05025	1.2
255.02940	1.0
269.04370	2.1
289.16409	3.3
366.03903	1.1
408.50519	1.2
419.68921	1.0
421.09415	4.9
421.20447	39.0
422.20999	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	421.2282
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
69.64198	2.0
71.28873	0.2
78.95776	2.5
79.95627	0.7
80.96391	100.0
104.63832	0.2
110.98421	4.1
130.06950	0.3
148.33937	0.3
153.86247	0.3
185.02141	8.3
227.12987	0.4
253.21666	2.1
259.23578	0.3
421.22647	21.5
422.22867	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	421.2082
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01757	6.5
57.03327	5.9
57.34802	1.2
58.00456	2.7
59.01252	46.8
69.03319	2.4
69.57063	5.8
71.01254	68.6
72.99176	2.2
73.02821	32.5
75.00731	1.6
83.01259	14.0
84.02034	1.1
85.02821	32.7
85.99966	1.7
87.00736	3.3
89.02310	15.8
93.03331	4.0
95.01269	6.2
96.95918	1.3
97.02809	2.9
99.00752	17.7
101.02325	61.4
108.02052	24.0
109.02854	18.3
111.00755	1.9
112.01500	1.6
113.02328	28.1
119.03381	2.0
123.00808	1.0
125.02344	3.2
129.01790	1.8
131.03401	2.0
143.03345	2.9
149.04497	1.3
152.01044	18.0
153.01833	40.2
154.02124	2.7
159.02907	6.7
161.04468	27.3
162.04765	1.5
185.11719	1.4
191.05545	1.6
200.04706	1.4
201.05510	1.1
205.03493	1.4
208.32301	1.0
211.09715	1.5
213.05394	1.3
241.05055	2.0
255.02832	1.0
257.04495	1.6
259.09769	3.9
267.05136	10.9
269.04489	5.9
270.05359	1.7
285.06107	3.8
288.46817	1.1
289.16580	72.5
290.16895	6.1
323.95065	1.0
333.15283	1.2
341.12543	0.9
421.08301	24.4
421.20737	100.0
422.08417	3.8
422.21237	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	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41654	0.6
55.01739	1.0
57.03333	0.9
58.00467	4.8
59.01252	100.0
60.01586	1.2
61.99026	0.6
64.80405	0.6
69.46225	6.2
71.01255	72.8
72.01588	0.9
72.99187	5.6
73.02818	2.5
83.01265	2.1
85.02831	10.5
87.00761	5.5
89.02320	94.7
90.02659	0.9
95.01276	4.7
95.97678	0.6
98.19765	1.4
99.00737	1.3
101.02327	42.8
102.02676	0.9
106.35905	0.7
111.56161	0.6
113.02331	32.0
114.02698	1.1
115.03913	0.7
116.92755	2.1
119.03391	44.8
124.08245	0.6
125.02350	1.3
128.03403	1.4
131.03400	4.4
143.03429	8.3
143.04504	1.6
145.02808	0.8
149.04440	4.7
160.00584	0.8
161.03259	0.8
161.04489	9.9
161.09631	2.3
171.27805	0.8
179.05536	27.1
179.10689	3.1
180.05867	1.2
191.05463	2.1
193.73172	0.7
199.09654	0.9
223.13232	2.4
241.86716	0.8
254.07759	0.8
259.15436	1.9
272.08704	1.4
306.07486	2.4
361.18362	0.8
421.08810	0.9
421.20810	18.3
422.20963	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76668	0.5
59.01253	100.0
60.01598	1.1
66.81866	0.6
71.01248	5.9
71.09011	0.5
71.58863	0.7
71.59274	0.8
73.02818	2.9
75.00744	0.7
83.01283	1.0
85.02840	2.6
86.84464	0.5
89.02322	3.8
93.03349	2.4
96.30028	0.6
96.95895	3.4
100.42168	0.5
101.02322	5.2
108.02065	2.6
109.02841	3.5
109.21687	0.5
113.02325	2.9
119.03416	1.4
123.04403	0.9
125.02370	0.7
151.03902	0.7
152.01062	3.9
153.01855	4.7
161.04501	2.1
163.88116	0.6
168.55013	0.6
185.11765	4.2
189.05547	0.8
191.05568	1.7
197.05960	0.5
213.05530	0.9
225.05524	0.7
241.05080	2.0
242.05829	1.9
257.04581	1.9
269.04605	6.2
270.05341	2.4
271.06125	1.5
272.37433	0.6
277.29910	0.6
283.06189	0.8
285.06189	0.9
297.04169	1.5
299.05630	1.6
301.16568	2.7
319.17609	14.4
320.18283	1.0
361.18677	8.1
361.22726	1.0
362.19092	0.8
421.09213	15.4
421.15109	1.0
421.24222	0.9
422.09491	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	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43642	0.9
57.68779	0.9
58.00465	1.6
59.01253	80.5
60.01580	1.1
60.03940	0.8
64.34340	0.8
64.61237	1.1
65.42336	0.9
68.49722	1.2
71.01257	30.3
72.99194	1.1
73.02821	28.1
74.03150	1.0
83.01266	3.8
85.02805	6.7
87.00745	2.0
89.02325	32.1
95.01308	1.8
97.02825	1.2
98.19786	2.9
99.00763	100.0
100.01097	1.9
101.02325	19.8
113.02338	18.1
119.03394	6.1
125.02331	4.3
131.03397	12.6
143.03407	2.9
149.04462	22.2
155.03395	2.5
155.10689	1.6
161.04457	9.2
166.94049	1.0
179.05548	1.9
191.05547	35.4
203.05548	13.1
229.17603	1.3
233.06586	2.6
247.11862	2.3
259.11844	1.2
279.92960	1.2
284.94568	1.0
311.85910	1.0
321.33682	1.2
379.16135	15.6
380.16409	2.4
421.17191	16.5
422.17233	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	421.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47472	1.3
55.31976	1.3
57.03318	2.9
59.01252	100.0
69.03330	1.3
71.01261	28.2
71.33891	1.4
71.58206	1.8
72.99189	4.0
73.02830	9.5
74.02322	1.3
75.00788	1.9
81.64320	1.2
82.38966	1.2
83.01250	3.4
85.02821	13.4
87.00759	2.6
87.04363	2.4
89.02317	23.1
89.02831	1.8
93.03362	2.2
95.01271	3.5
96.95911	1.8
97.02876	3.0
99.00774	15.4
99.04384	1.9
101.02310	12.0
103.48535	1.1
108.02085	1.3
109.02790	2.7
113.02335	28.5
119.03385	4.3
121.02836	1.7
125.02332	4.4
131.03401	4.7
135.04411	1.9
137.02336	3.4
143.03386	3.7
149.04472	12.7
155.10674	7.4
157.08484	1.2
161.04478	5.5
167.03447	1.7
191.05617	8.2
199.09686	5.7
213.05498	1.9
215.05632	2.6
217.10834	6.2
233.06758	1.7
241.04999	2.9
247.11763	2.4
259.06122	6.9
259.11942	8.5
361.15033	13.1
377.18359	1.6
379.16104	20.8
380.16461	2.4
403.23410	2.6
421.11411	3.1
421.17010	4.4
421.24747	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	421.093
Annotation	Thonningine A
Peak:m/z	Relative Intensity
57.03306	0.9
59.01252	46.2
69.51380	4.4
71.01256	3.9
72.99171	0.7
73.02827	1.6
75.00733	0.7
81.03326	0.8
83.01257	0.9
85.02830	1.8
85.61441	0.5
85.78960	0.6
87.00729	0.9
89.02312	1.4
91.72159	0.6
93.03345	1.3
96.95893	2.2
99.00780	0.8
101.02322	3.5
108.02047	1.1
109.02840	9.7
113.02312	2.0
117.06999	1.0
119.04935	0.6
119.78236	0.6
121.02844	0.9
123.04419	7.1
124.01554	0.8
135.04420	1.0
137.02415	0.6
141.07014	1.2
149.02399	0.7
151.03899	3.4
155.08557	1.1
159.03041	0.6
159.04370	0.7
161.02278	1.0
161.04494	1.3
170.08786	0.6
173.05876	0.6
185.06017	1.3
185.11760	7.7
187.03940	1.2
189.05496	3.0
197.06030	1.1
199.03972	1.0
211.03896	0.7
212.04752	1.6
213.05522	5.3
214.02621	0.6
214.06111	0.7
215.03603	0.9
217.05020	2.3
224.04678	0.9
225.05519	2.9
226.06285	0.7
227.03490	1.6
227.07069	5.5
228.04245	3.6
229.04881	0.9
239.07149	1.2
240.04308	0.8
241.05026	16.9
242.05766	11.8
243.06212	1.0
253.09157	0.8
253.23560	0.7
254.02051	1.0
255.02972	1.9
255.06641	0.6
256.03760	1.4
257.04523	14.7
267.06445	0.9
269.04550	47.1
270.05276	19.7
271.06079	8.4
281.04596	1.4
283.06100	6.2
289.16608	0.7
296.03186	2.9
297.04034	11.2
297.28143	0.6
298.04749	2.3
299.05603	12.3
300.05911	1.2
311.05716	3.7
312.05753	0.7
319.17554	3.1
357.07870	0.6
361.18793	1.7
368.59210	0.6
377.10434	0.8
379.23462	0.8
403.08209	2.5
421.09293	100.0
422.09576	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02082	9.3
59.01252	100.0
69.28857	37.8
69.29289	52.8
71.01237	29.6
72.22250	9.2
73.02810	22.9
77.40266	8.6
85.02831	9.6
87.04464	10.1
89.02324	17.9
94.07343	8.1
98.19778	21.9
101.02326	22.7
104.20507	8.2
113.02305	15.8
135.04315	11.9
136.65448	9.0
146.32025	8.5
146.63432	8.2
155.10634	24.8
187.09717	9.1
191.05579	12.9
199.09706	21.2
217.10791	19.7
247.35590	10.6
259.11835	14.8
377.18173	24.1
403.23340	19.4
421.16052	48.4
421.24500	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	421.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17563	0.6
57.03319	0.6
59.01253	18.3
65.94095	0.8
69.53788	5.0
71.01257	3.0
72.99180	0.8
73.02826	1.4
75.00758	0.7
78.62093	0.7
81.01061	0.7
83.94015	0.5
85.02840	0.9
89.02326	1.2
96.78686	0.6
96.95889	3.2
98.19795	1.2
99.00732	0.9
101.02333	2.5
103.60448	0.5
109.02832	6.0
113.02295	1.5
115.90127	0.6
117.07004	1.5
121.02836	1.0
123.00819	0.9
123.04423	6.4
135.04428	1.5
151.03955	3.8
155.08551	0.8
155.10718	0.7
159.04485	0.9
161.02371	0.8
173.04608	0.6
175.03981	0.6
179.03430	0.7
183.07936	0.7
185.05997	1.4
185.10193	1.0
185.11784	14.4
189.05547	3.1
197.06052	2.1
199.03897	1.1
212.04729	1.1
213.05524	3.9
214.06039	1.1
215.03453	1.4
217.04958	0.8
225.05489	2.6
226.02534	0.9
227.03474	1.2
227.07060	5.1
228.04225	3.3
229.04886	1.0
239.07085	0.8
240.04221	0.9
241.05046	19.7
242.05812	11.3
253.04982	0.8
253.09261	1.6
254.02185	1.1
255.03012	1.5
256.03625	1.7
257.04578	12.9
258.05002	1.2
259.09711	2.3
268.03845	0.9
269.04565	44.0
270.05307	17.6
271.06076	6.9
281.04605	0.8
283.06107	5.5
296.03271	3.4
297.04059	11.0
298.04678	2.6
299.05582	10.4
300.05890	0.7
308.79492	0.7
311.05545	3.8
403.08246	1.5
403.27148	1.3
421.09296	100.0
422.09586	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	420.2389
Annotation	Blacknine
Peak:m/z	Relative Intensity
50.68074	0.6
59.01231	0.8
62.75339	0.6
67.90875	0.6
69.41383	0.6
71.38428	0.9
71.38775	0.8
73.14866	0.5
76.44717	0.7
79.97458	0.5
80.95529	0.6
81.92603	0.7
93.53585	0.6
97.06467	1.0
104.31524	0.6
115.03878	0.8
119.07310	1.3
120.08078	0.7
125.05935	0.6
125.09626	8.3
130.29926	0.6
132.08075	4.3
134.09651	23.8
134.84341	0.6
135.09995	1.0
150.09131	2.1
153.83554	0.7
158.09671	0.7
160.07593	21.7
161.08124	0.8
171.10197	1.8
178.08643	2.8
188.10696	1.4
188.14391	0.8
202.12288	1.8
205.54034	0.6
214.12259	3.2
216.13887	2.6
232.20532	0.6
242.19135	10.8
260.20200	7.3
268.17023	3.5
286.18152	3.0
304.19177	33.1
305.19534	2.2
324.45502	0.7
340.22882	2.5
346.23907	0.8
358.23892	17.0
359.24280	1.4
376.25003	2.5
384.21759	1.1
402.16431	0.6
402.22949	2.1
420.23923	100.0
421.09396	1.7
421.24280	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	421.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.6
61.84961	0.4
69.03341	0.5
69.51008	1.1
69.51414	2.6
71.01251	2.1
72.99187	1.2
73.02814	0.5
78.91787	0.9
78.95776	7.0
83.04936	0.6
85.02828	11.7
86.03176	0.6
87.00757	4.7
93.03339	2.8
96.95905	1.3
96.96843	3.0
109.02843	1.3
111.00047	0.7
111.00770	6.0
111.04451	0.9
114.14870	0.5
115.00272	0.5
127.03901	2.1
139.34741	0.4
147.02928	0.5
150.97986	0.8
171.02911	1.8
173.04466	1.0
186.76590	0.5
189.03946	1.1
191.01959	9.4
191.05545	100.0
192.05908	2.8
241.01151	1.5
281.62686	0.5
363.57864	0.5
421.07526	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	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48205	23.0
53.97063	21.8
55.98862	21.6
59.01260	33.7
69.53629	100.0
69.54060	80.5
80.96387	69.5
87.00753	31.8
177.33728	21.6
183.22229	19.7
192.45181	23.2
203.56242	22.1
206.13959	20.2
223.18607	22.7
271.78534	20.7
332.86728	21.2
342.71777	25.4
383.13052	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2438
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
55.85064	1.3
59.01245	4.8
59.88923	1.3
65.03831	5.5
69.25608	7.1
69.26028	10.1
83.04910	3.4
90.08301	1.2
91.05408	3.3
95.04891	1.9
97.06460	5.3
105.06925	1.8
114.21025	1.3
123.08044	3.5
125.09608	19.5
133.06415	1.7
133.10141	2.2
165.62099	1.5
187.14865	17.0
201.12689	1.8
209.11758	4.1
213.12772	3.8
231.13885	30.6
233.11659	1.8
234.60580	1.6
249.14923	16.3
250.12094	2.0
269.04373	1.5
339.23462	2.9
345.24429	2.5
357.24265	4.2
383.22330	6.9
391.24692	4.4
401.23297	100.0
402.23581	11.6
419.24344	46.9
420.24429	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	419.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97869	0.7
53.53200	0.8
57.03312	1.4
58.00436	1.0
59.01254	7.6
61.28016	0.8
71.01248	7.1
71.39266	1.6
72.99179	12.8
73.02812	2.7
73.86532	0.7
75.00724	0.8
83.04877	1.0
85.02827	2.8
87.04364	0.8
89.02316	2.4
96.95901	1.3
97.06474	0.9
99.00716	1.1
101.02324	2.8
113.02344	1.6
131.69835	0.7
139.11171	1.2
143.10590	1.2
151.03838	0.9
151.05112	0.8
157.12267	1.6
161.04424	1.4
169.12199	1.4
185.11734	3.5
201.11263	2.2
213.26065	0.8
215.12831	8.2
270.70599	0.9
311.22183	1.7
327.21973	1.5
327.25558	2.6
329.23358	15.3
330.23770	1.4
339.25333	9.6
350.12640	0.8
355.24927	10.9
357.26498	3.2
383.24442	3.4
391.57843	0.9
401.25433	53.8
402.25903	6.7
419.26495	100.0
420.26801	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	419.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.7
59.01236	4.5
66.34335	1.6
66.72179	1.2
69.59853	9.8
71.01259	2.8
83.04893	4.1
85.71902	1.2
95.04842	2.0
96.95885	3.7
97.06447	2.4
107.08567	1.4
109.06455	3.1
133.06503	1.7
135.04405	3.7
135.08029	3.5
137.09605	1.6
161.09634	2.1
163.11249	2.5
165.12759	1.9
179.14322	3.6
195.13855	2.0
203.14252	1.7
205.15910	2.3
207.17487	1.9
211.13333	2.7
213.14914	3.7
222.63980	1.3
231.17484	2.6
239.16505	3.0
247.44028	1.5
275.16620	2.4
281.21375	1.5
315.27051	7.0
325.25412	15.6
336.15100	1.4
341.24799	5.3
343.26474	13.1
351.23318	3.9
359.25912	19.1
369.24353	25.3
370.24832	2.2
375.29108	2.3
387.25403	60.8
388.25861	6.5
391.28592	6.5
401.27072	4.5
419.27991	100.0
420.28415	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	27.5
68.79176	5.5
86.36472	5.6
93.90859	6.8
96.95868	8.0
105.06991	6.5
125.09610	19.3
187.14912	15.7
213.12686	6.5
231.13870	32.2
249.14981	10.1
269.04596	6.9
293.48969	6.2
307.08582	6.8
401.23294	100.0
419.24271	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53913	8.0
59.01238	9.3
60.14412	7.8
61.67837	8.2
66.16383	8.6
69.27654	16.1
69.27997	100.0
89.97121	7.5
114.55614	8.5
125.09644	10.7
139.06053	9.2
146.95950	7.6
221.32872	8.2
226.52101	9.3
299.74628	9.1
304.19315	14.2
358.23837	10.0
396.79691	9.3
419.24475	16.6
420.23981	45.4
434.25049	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	21.5
69.51243	100.0
69.51657	33.4
85.74296	12.9
88.98684	56.2
89.49643	13.1
94.93124	14.6
129.84326	14.0
205.78891	13.7
329.17358	27.9
420.23773	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	419.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.0
59.31625	1.3
62.89132	1.2
71.57894	1.4
80.96385	2.7
96.95905	4.7
117.00219	1.4
133.02855	20.6
157.06500	4.6
159.01398	2.8
159.08057	10.9
203.07060	12.3
221.08153	17.5
268.03735	1.8
277.18173	2.6
282.05374	2.4
337.10815	100.0
338.11203	9.7
359.17172	1.8
377.08774	1.5
389.17545	1.4
419.09982	3.2
419.19196	3.9
419.24261	2.1
419.31738	2.8
420.10025	1.9
439.19562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1347
Annotation	Davidioside
Peak:m/z	Relative Intensity
57.03322	0.7
59.01252	3.3
65.70927	0.3
70.68147	0.3
71.01257	1.8
73.02831	0.6
83.04871	0.3
85.02829	0.6
89.02318	0.6
93.03358	0.7
96.95918	0.4
101.02332	0.8
103.03896	0.4
107.50356	0.4
108.02082	0.6
109.02844	2.5
113.02344	0.6
118.97968	0.3
121.02843	65.1
122.03165	2.6
125.02367	0.4
134.03625	0.8
135.04416	100.0
136.04755	4.6
137.02307	0.6
147.04405	1.4
151.03909	0.6
152.01080	0.6
165.01811	0.3
179.03395	1.0
190.06277	0.5
193.04962	0.4
194.05733	0.8
209.08160	0.7
223.40855	0.4
257.08170	37.6
258.08527	3.2
299.13306	0.3
313.13190	0.4
321.03568	0.4
347.11237	1.6
350.27509	0.3
389.16104	1.7
392.66928	0.4
401.25650	0.7
419.13647	1.7
419.26453	1.3
419.31256	0.5
420.13757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01594	0.9
63.11274	0.5
64.28775	0.6
67.91657	0.6
70.94847	2.1
71.01247	3.8
73.02819	0.7
83.06019	1.2
83.31856	0.6
85.02830	2.5
88.59090	0.6
93.03284	0.8
94.64263	0.6
96.95898	0.8
99.00809	0.9
101.02338	2.2
113.02364	1.4
119.04935	0.8
149.02330	0.7
161.04501	1.2
166.19339	0.6
215.16585	2.2
218.08911	0.7
317.17276	2.8
359.18243	1.0
377.21918	2.4
419.22488	3.9
419.30505	0.8
420.12973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3376
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
56.02959	0.7
57.85405	0.6
68.97989	0.7
98.20582	1.4
107.04909	11.6
121.06591	0.6
122.03667	2.1
135.04424	100.0
136.04688	3.3
148.05246	1.0
161.06062	3.8
216.83873	0.7
267.73044	0.7
274.64865	0.8
289.05212	0.8
402.31427	14.2
403.31696	2.2
415.31964	0.8
417.33752	63.1
418.34085	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	419.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.8
67.01778	3.8
69.03331	4.2
71.01244	5.8
72.99178	9.9
83.04900	2.5
85.02821	20.8
87.00753	4.2
93.03352	18.8
95.04892	3.0
97.02840	3.2
98.19796	3.8
101.02342	2.5
106.61115	2.0
109.02842	11.4
111.00771	2.7
111.04414	6.6
121.02858	3.6
125.02332	6.3
127.03925	4.0
129.01843	2.7
133.01854	2.2
137.02341	8.6
139.00278	2.3
139.03922	4.3
141.01866	2.0
145.44319	1.9
151.03998	2.7
153.01839	19.8
155.03410	8.4
163.00220	2.8
165.01871	8.3
167.03424	2.5
173.04436	10.3
181.01335	6.3
183.02913	6.0
191.05542	100.0
192.05901	5.6
195.78278	2.0
207.04893	2.3
209.00865	8.9
223.04565	2.8
227.01953	8.3
247.04601	2.4
419.08759	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	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.4
57.03329	4.6
58.00466	3.6
59.01251	77.4
69.03352	0.9
69.47607	3.4
69.48038	2.7
70.10442	0.8
71.01255	100.0
71.13675	0.7
72.01598	1.5
72.99192	4.9
73.02820	22.5
75.00746	1.7
80.08199	0.7
83.01257	9.9
85.02824	38.4
86.03146	0.9
87.00766	4.4
87.04394	1.9
89.02318	44.0
90.02641	0.9
92.72846	0.7
92.94395	0.6
95.01251	7.8
97.02861	1.4
97.78606	0.8
99.00764	8.6
101.02323	63.8
102.02657	1.7
107.67789	0.7
113.02331	41.4
114.02700	0.9
119.03387	17.9
125.02333	2.4
129.01802	1.2
131.03410	2.0
143.03392	5.6
149.04424	1.3
154.41597	0.7
159.02885	7.5
161.04469	36.5
162.04721	1.2
163.03818	0.7
179.05460	3.4
201.86302	0.7
205.03398	1.2
255.19656	1.9
292.76532	0.7
333.13608	0.8
417.24948	29.7
418.25354	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	417.2493
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01758	4.4
57.03323	4.5
58.00464	4.0
59.01252	74.6
59.12563	0.6
60.01590	0.9
62.22265	0.6
69.03334	0.9
70.16699	0.6
70.34074	2.1
71.01255	100.0
71.04905	0.9
71.51801	0.6
72.01579	0.8
72.99184	5.0
73.02821	22.4
75.00736	1.8
80.14026	0.6
83.00800	1.0
83.01257	11.5
84.02031	0.9
85.02824	36.2
87.00746	4.6
87.04385	2.8
89.02316	47.7
90.02646	0.8
95.01251	6.5
96.95908	0.7
97.02819	2.1
99.00765	7.9
101.02324	72.5
102.02661	1.3
111.00769	0.8
113.02332	40.9
114.02686	0.8
119.03394	22.8
120.03700	0.9
123.04321	0.7
125.02338	2.7
129.01781	1.6
131.03401	2.1
132.03703	0.7
137.02312	0.8
139.00266	0.8
143.03424	6.7
149.02438	0.7
149.04420	1.6
159.02904	6.9
161.04466	32.9
162.04832	0.9
165.01714	0.8
179.05533	6.6
179.06998	0.8
179.55983	0.5
181.04967	0.9
199.13190	0.7
205.03526	1.5
212.08315	0.7
255.19615	2.5
280.88940	0.7
312.13171	0.5
357.26392	1.9
371.04010	0.7
399.23560	0.9
417.24857	23.1
418.25082	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	417.2493
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
52.99704	0.5
53.10148	0.5
53.86520	0.5
55.01532	0.6
55.01752	5.0
56.66895	0.6
57.03324	4.7
58.00470	3.1
59.01249	50.9
68.08253	0.5
69.03303	0.8
69.39600	6.0
71.01251	100.0
72.01581	1.5
72.99176	4.1
73.02818	24.8
75.00748	1.9
81.03324	0.9
83.01252	9.5
83.04896	0.7
84.02027	0.7
85.02822	42.1
87.00739	4.1
87.04399	3.2
89.02316	28.5
95.01259	6.9
95.01747	0.7
96.95907	0.6
97.02850	2.2
98.20477	1.3
99.00752	11.5
99.01334	0.7
100.38681	0.6
101.02319	56.0
102.02678	0.8
111.00764	1.3
113.02327	41.3
114.02696	1.6
119.03377	11.9
119.04116	0.8
125.02352	2.8
129.01897	2.3
129.41664	0.5
131.03456	0.9
137.02400	1.2
143.03415	4.0
149.04512	0.9
159.02870	8.0
161.04460	35.8
166.02692	1.8
179.05627	1.6
179.12939	0.6
181.05072	2.0
181.12364	0.7
205.03566	1.4
232.19545	0.5
255.19868	1.8
283.18457	0.6
297.20877	0.6
320.31577	0.6
359.11761	0.6
389.29602	0.7
401.42667	0.6
417.16156	1.0
417.21494	4.2
417.25595	21.4
417.90381	0.7
418.21158	0.9
418.25894	1.7
425.68997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54346	0.4
59.01251	100.0
59.31276	0.4
60.01584	0.6
62.07451	0.4
65.50909	0.4
69.51435	0.4
71.01244	0.7
71.14505	0.9
73.02840	0.4
108.44478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79769	0.8
55.33610	0.6
57.52039	0.9
58.28532	0.8
59.01254	100.0
60.81443	0.7
71.01263	1.9
71.58047	0.9
75.00751	0.9
85.02827	0.9
105.01822	1.0
111.08044	2.7
113.02354	1.0
114.39968	0.9
118.02697	0.8
121.02856	1.7
125.09657	2.3
126.84827	0.9
173.08101	2.8
187.09668	2.2
193.37372	0.8
196.65654	0.8
231.74608	0.9
261.13419	0.9
316.14682	1.1
358.37549	0.9
374.19034	1.4
417.21329	1.8
430.76254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01747	5.2
57.03321	3.8
58.00457	4.7
59.01254	100.0
60.01545	2.0
60.52136	1.1
67.33595	1.2
71.01257	93.5
71.40129	1.3
71.58074	2.2
72.01596	1.4
72.99184	6.8
73.02823	15.0
75.00739	2.4
75.40359	1.1
83.01263	9.7
85.02830	32.6
87.00758	5.1
87.04401	2.3
89.02320	65.0
95.01260	6.0
97.02842	1.9
99.00181	1.4
99.00748	8.0
99.04360	1.1
101.02326	62.5
102.02658	2.3
109.02847	3.6
113.02338	39.0
119.03392	33.7
125.02330	4.2
131.03401	4.0
143.03419	6.8
149.04501	2.9
159.02925	5.8
161.04480	27.5
166.02632	1.7
175.64293	1.2
176.88269	1.5
178.01640	1.2
179.05536	11.4
181.04900	1.7
232.59068	1.4
243.12306	1.6
255.19719	11.1
256.20148	2.0
284.65186	1.5
357.26007	1.5
417.24796	31.3
418.25540	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
56.82860	0.9
57.03325	1.9
58.00460	1.6
59.01254	100.0
69.03321	0.9
71.01257	42.4
71.58220	1.2
72.99174	2.8
73.02823	36.7
73.41212	0.9
75.00743	1.9
79.95605	3.0
83.01265	13.7
85.02829	9.4
87.00732	3.0
89.02322	19.4
91.01783	1.5
95.01266	2.0
95.95109	4.3
96.95274	1.6
96.95895	31.7
97.02840	1.0
98.95502	0.9
99.00744	1.4
101.02328	45.5
105.38022	0.9
109.81156	0.9
113.02335	10.5
113.78063	0.9
119.03391	5.8
119.04903	6.9
122.93817	1.0
125.02322	3.2
130.78127	1.0
131.03380	2.6
135.00745	2.1
136.74959	0.8
142.11624	0.9
143.03418	3.7
149.04465	2.7
153.01819	2.9
161.04486	10.4
166.02522	1.1
166.52834	0.8
169.12173	1.4
173.04411	1.2
177.09117	2.9
179.05457	1.0
181.04912	1.5
191.05511	2.2
195.10271	1.3
239.02277	6.6
255.06554	7.2
331.17770	5.6
341.94125	0.9
357.15393	1.9
375.16351	1.9
387.10220	1.0
388.18814	1.0
396.43192	0.9
399.16583	6.0
416.18173	1.0
417.17517	36.1
418.17767	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01136	0.6
55.01764	1.1
57.03320	0.6
58.00460	1.5
59.01252	100.0
60.01598	1.4
61.98699	0.6
62.92336	0.6
67.41814	0.7
69.03338	0.7
69.24245	7.0
71.01252	29.4
72.15569	0.6
72.99188	2.2
73.02822	4.4
75.00748	1.3
83.01276	1.9
85.02825	8.6
87.00770	2.0
89.02315	26.1
92.70672	0.7
95.01288	2.2
97.02873	0.6
99.00761	1.5
101.02324	19.5
102.02652	0.7
105.55134	0.6
113.02334	13.2
113.03071	1.0
119.03386	11.1
123.04382	0.7
125.02357	0.7
128.57054	0.6
131.03473	0.8
143.03404	3.2
149.04514	0.9
159.02916	2.0
161.04459	20.0
177.09117	5.1
179.05534	6.9
191.05566	1.0
195.10179	1.7
202.57687	0.5
204.03751	0.7
205.03493	0.7
254.03706	0.8
351.87210	0.6
357.15518	21.4
358.15948	1.5
391.37766	0.7
402.53000	0.7
417.17383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06301	2.0
59.01250	57.9
69.83270	12.7
70.17879	2.2
71.01254	41.2
71.27052	2.2
73.02817	22.7
75.00736	5.9
77.89904	2.2
85.02834	16.3
87.00745	2.2
89.02322	72.2
93.03326	7.4
95.01258	5.2
99.00762	73.1
101.02316	11.1
109.02836	3.2
113.02323	28.1
119.03369	4.0
119.11221	2.3
123.04409	3.7
131.03398	18.6
137.02345	18.4
149.04457	100.0
151.03914	3.5
161.04486	13.6
191.05524	41.9
211.05922	2.8
233.06627	21.3
266.13644	2.5
293.08731	11.3
417.13321	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1553
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
57.03313	0.2
59.01246	2.3
59.26298	0.2
61.71521	0.2
67.01768	0.3
68.99669	0.3
69.03314	0.4
71.01254	0.9
71.02642	0.2
71.38767	0.3
71.39116	0.3
73.02814	0.8
81.03334	0.6
83.01261	0.5
84.02059	0.3
84.44860	0.2
85.02824	1.0
89.02322	0.4
93.03345	0.6
95.01258	1.3
95.04900	0.6
95.20275	0.2
96.95911	0.4
97.02849	0.3
101.02328	0.7
107.04910	0.6
109.02841	4.7
111.00762	0.6
113.02354	0.3
121.02859	1.0
121.06452	0.5
122.03659	0.2
123.00775	4.9
123.04414	1.0
124.01576	1.0
125.02337	2.1
126.03101	2.0
131.04997	0.2
133.02863	0.4
135.00795	0.3
135.04451	0.5
136.01602	0.4
137.02341	17.4
138.03072	0.4
139.00285	0.7
139.03911	1.0
149.02338	1.8
149.05975	0.5
150.03130	0.8
151.00272	30.2
151.03856	2.0
151.11160	0.8
152.01059	3.0
152.04680	2.8
153.01823	0.4
153.05429	0.3
154.02582	0.4
159.04393	0.7
160.05225	0.3
161.02296	0.7
162.03149	0.5
163.03929	0.5
164.04724	0.6
165.01816	1.3
166.02626	74.1
167.03345	5.4
173.02321	0.4
174.03206	0.3
175.03912	1.9
175.07512	0.4
176.01057	0.3
176.04730	0.4
177.00310	0.2
177.01846	4.6
177.05486	0.4
177.09033	0.3
178.02522	0.6
179.03349	1.0
179.07083	0.3
181.04980	100.0
182.05319	4.4
184.03700	0.9
188.04544	0.2
189.05508	0.4
190.02682	0.6
190.06308	1.5
191.01898	0.2
191.03386	1.2
192.04207	1.8
193.05022	1.2
195.02954	0.8
195.10191	2.4
202.02666	0.4
203.03476	0.6
204.04044	0.3
205.04988	1.6
205.08682	1.8
206.05698	0.3
207.06596	1.4
209.04539	0.5
219.06583	0.7
220.07347	0.4
221.04489	0.3
224.03156	0.3
233.08118	0.4
240.95497	0.2
281.04431	0.3
285.07776	0.2
299.05679	0.5
301.07211	0.7
301.10852	0.2
316.09579	0.2
329.10327	0.8
341.10349	0.3
356.12650	0.3
357.09879	0.6
359.11282	2.8
371.15277	0.6
387.10815	17.8
388.11246	1.5
402.13171	13.4
402.18680	0.4
403.13528	1.4
412.29074	0.3
417.15549	22.3
417.24811	0.8
418.15933	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	416.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.0
59.01253	44.7
60.07814	3.7
61.00316	5.0
64.58254	4.8
67.91019	4.6
70.18800	5.2
71.01254	32.7
71.31912	7.2
72.99183	17.9
75.00743	100.0
75.01139	7.8
79.23949	6.0
84.62117	5.2
85.02826	39.2
87.00739	29.9
87.75442	4.5
89.02320	39.8
95.01299	5.9
96.95867	4.7
97.02845	6.4
101.02328	20.8
104.21910	4.0
109.02848	7.6
110.02326	7.3
111.00751	10.4
113.02312	13.6
119.03349	10.2
125.02312	13.0
129.01817	11.3
141.01883	7.5
143.03392	9.4
146.02383	4.4
152.01059	11.6
152.03448	7.4
161.04434	10.5
179.05545	21.1
182.04431	5.1
197.42271	5.0
200.05602	5.2
205.03528	8.2
219.73557	4.6
322.77097	4.6
330.28662	5.3
341.10834	14.8
362.10986	7.2
373.07639	6.9
380.11777	8.6
413.08301	4.9
416.09579	10.1
416.14932	6.8
417.09857	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	416.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01605	1.2
69.37158	4.5
69.37586	2.2
71.01266	3.1
73.02824	1.9
75.00770	1.0
83.78646	0.6
85.02843	2.2
87.00800	0.9
89.02329	1.7
89.39196	0.6
93.03328	1.4
93.10322	0.6
94.02875	2.1
96.95909	0.9
99.00790	0.7
101.02345	2.1
113.02363	1.1
123.04465	1.0
125.02379	1.1
137.02353	1.6
138.02701	1.0
161.04495	1.8
165.09088	0.7
173.04538	0.8
191.05611	1.0
230.63341	0.6
260.07190	0.6
273.61700	0.8
279.45099	0.7
317.66299	0.7
322.08005	0.7
381.17615	1.3
401.14142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.9
65.03835	5.1
67.70659	0.5
71.01241	1.3
79.05420	2.8
83.04855	0.5
85.02843	0.6
91.05389	2.6
95.04926	0.5
97.06467	1.5
98.20570	1.2
101.02296	0.5
103.05415	0.6
105.06976	4.1
115.05429	1.1
117.07006	0.8
119.08565	0.5
123.08085	0.6
125.09627	6.2
129.06999	2.4
131.08582	0.8
133.06462	0.5
133.10104	1.2
135.07988	0.5
143.08539	0.8
153.09109	1.1
157.10013	0.5
159.08060	0.6
159.11743	1.2
173.13176	0.6
185.09637	0.6
185.13309	0.6
187.14859	10.8
188.15147	1.4
201.12703	0.5
201.16405	2.6
213.12776	1.9
229.25310	0.6
231.13875	25.0
232.14153	2.1
245.15416	3.8
249.14902	1.4
275.16455	1.3
286.15817	0.6
288.17322	2.6
290.96579	0.5
299.16449	1.3
313.18127	1.0
314.18750	1.1
339.23245	1.5
355.26407	1.4
355.84277	0.5
365.21246	0.6
371.25806	1.1
383.22366	2.4
415.24792	100.0
416.19922	0.9
416.25165	13.3
417.17047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3219
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
51.66461	0.2
53.96426	0.2
59.01240	0.3
69.29058	0.2
70.07021	0.5
70.07440	0.6
71.01242	0.2
76.67692	0.2
94.04076	0.2
95.42733	0.2
149.32593	0.3
331.67596	0.2
397.30862	0.2
415.32181	100.0
416.32529	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	415.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
59.17572	0.3
71.07367	0.6
88.46960	0.3
98.47124	0.3
99.85258	0.3
261.55157	0.4
385.27145	0.4
415.32178	100.0
416.32516	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	415.3219
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
68.48962	0.2
71.35504	0.3
71.35834	0.4
101.02335	0.2
126.57439	0.2
274.55090	0.2
312.63388	0.2
385.27545	1.2
415.32172	100.0
416.32498	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	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
57.03316	0.9
58.00489	0.3
59.01249	100.0
60.01583	1.0
65.42064	0.3
69.50723	0.4
69.51120	2.2
71.01252	8.5
72.99188	0.5
73.02824	2.0
74.65674	0.3
83.01263	1.0
85.02821	4.5
87.00764	0.8
87.04399	0.6
89.02307	3.7
95.01263	1.0
98.19833	0.7
99.00763	0.9
101.02309	4.9
103.38150	0.3
111.00767	0.3
113.02325	4.8
119.03380	1.4
121.06485	0.9
125.02306	0.4
129.01849	0.3
137.02414	0.5
142.41037	0.3
143.03401	0.3
151.03905	0.4
152.04636	0.3
161.04440	1.5
165.03972	0.4
173.04579	0.3
179.05592	0.3
196.03677	0.3
211.13416	0.3
223.13266	1.4
253.72066	0.4
267.12329	0.6
355.17624	0.7
373.22556	0.5
379.95898	0.4
398.74023	0.3
415.23975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01585	0.9
63.81865	0.6
69.45226	4.8
71.01253	4.1
73.02834	1.3
75.22565	0.6
80.04462	0.5
83.99496	0.5
85.02834	1.7
89.02329	1.1
91.98029	0.6
101.02350	2.2
103.73766	0.5
113.02367	0.8
127.13106	0.6
128.03442	0.5
161.04556	0.9
238.13170	0.6
292.03229	0.6
312.76416	0.6
344.50162	0.7
361.54971	0.6
415.23495	1.5
419.86053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.4
70.34396	0.8
74.58154	1.0
74.98969	7.4
77.00538	77.2
77.04128	0.9
82.94225	1.0
85.39251	1.1
89.18956	0.9
111.95631	1.0
123.70206	1.1
125.85868	1.1
146.83852	1.0
147.08072	2.1
149.09637	2.3
163.11189	1.6
187.11244	2.1
309.22308	2.5
321.18582	1.2
337.21732	100.0
338.22052	11.0
415.23141	10.6
415.28003	1.7
416.23474	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
56.36524	0.9
57.03315	3.2
59.01252	100.0
69.35543	8.4
71.01254	20.4
71.04877	1.8
72.99198	1.5
73.02826	4.5
75.00749	1.9
83.01259	2.1
83.04913	1.3
85.02827	8.1
87.00748	11.9
87.04454	0.8
89.02338	4.5
91.43890	0.8
93.03310	1.4
95.01281	2.0
96.95900	1.9
99.00775	6.5
100.95215	1.1
101.02334	9.7
105.01821	13.0
108.02090	0.8
109.02891	1.1
113.02330	7.0
119.03400	1.5
121.06497	9.7
122.84623	1.0
126.67953	0.8
137.02345	1.1
143.03418	1.2
147.02896	10.3
161.04465	8.2
161.13255	2.4
165.03963	67.5
166.04268	1.9
191.05496	3.5
196.03775	0.8
202.40549	0.8
207.10088	1.1
223.13350	73.6
224.13730	4.6
267.12393	13.5
271.19080	1.3
273.99100	0.9
415.15808	15.2
415.20605	0.9
416.16348	1.5
430.32074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
57.03313	1.9
57.35857	1.3
59.01254	100.0
62.85443	0.9
70.30318	0.9
71.01271	7.9
71.59209	1.5
73.02827	2.2
76.59046	0.9
85.02809	3.8
89.02325	3.8
97.02812	1.4
101.02312	4.8
113.02348	2.5
119.03379	1.4
126.42713	0.9
128.77664	1.1
137.02339	2.9
149.55788	1.3
152.13734	1.0
161.04349	1.3
204.13675	1.1
211.13385	3.0
303.08548	3.6
306.32565	1.2
348.04315	1.2
348.88702	1.0
407.74625	1.0
415.27438	2.6
422.28445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.9
57.03308	2.3
58.00467	4.6
59.01253	100.0
63.07108	2.2
69.03329	4.9
69.51241	7.9
69.51669	9.5
71.01256	78.9
72.99191	15.8
73.02816	11.6
75.00751	5.5
76.81965	2.5
78.95766	2.4
80.35240	2.0
83.01247	4.0
84.56728	2.4
85.02831	14.9
87.00754	20.8
89.02317	71.2
92.92657	4.2
95.01250	2.7
96.95911	7.3
96.96806	2.2
97.02827	7.9
98.02368	2.9
98.20518	5.3
99.00777	6.8
101.02335	47.4
111.00754	3.7
113.02338	28.9
115.00261	2.2
119.03402	23.2
123.00879	2.7
125.02348	15.7
127.03889	2.9
131.03407	2.8
132.63414	2.5
143.03407	7.5
143.09433	2.3
161.04478	10.8
171.02913	5.5
179.05527	21.9
186.93790	2.5
191.05566	8.3
221.06706	4.5
235.08195	8.9
253.09338	2.8
318.49612	2.5
341.10895	13.9
415.14569	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01739	1.2
55.10811	0.9
57.03310	2.1
58.00460	1.8
59.01250	73.9
63.02907	0.8
67.01747	0.9
71.01252	48.9
72.99188	4.7
73.02818	24.6
75.00745	1.1
80.77224	0.9
83.01254	3.0
85.02825	15.8
87.00734	2.7
89.02315	62.8
91.00455	0.8
93.03314	5.0
95.01276	6.1
98.19745	2.3
99.00755	100.0
100.01098	2.4
101.02322	20.6
101.58449	0.9
104.39891	1.1
112.93570	1.2
113.02327	38.4
114.02687	1.2
119.03389	10.3
123.04409	1.6
125.02304	1.6
131.03387	13.2
143.03403	3.6
149.04462	40.3
161.04472	22.2
167.03404	1.9
173.04480	13.7
179.05522	3.6
191.05539	48.5
192.05728	2.4
197.11777	1.6
206.09454	0.9
212.22417	0.9
233.06627	5.6
241.10757	1.3
267.56531	0.9
280.67239	1.0
283.11865	2.0
293.08432	0.9
415.16064	18.9
416.16278	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	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.3
57.03321	2.7
58.00464	3.8
59.01254	100.0
60.01583	1.3
62.13197	1.0
68.14347	1.0
69.03332	4.1
71.01256	79.6
71.06433	1.9
72.01580	1.0
72.99181	6.1
73.02818	9.1
75.00740	1.6
81.03340	1.8
83.01264	7.6
85.02822	15.8
87.00757	12.0
89.02319	80.5
90.66792	0.9
95.01279	4.5
97.02834	7.8
99.00777	3.9
101.02325	70.5
102.02644	1.1
111.00778	1.3
113.02336	28.0
119.03394	29.0
125.02329	16.8
128.41714	0.9
131.03403	3.8
143.03430	10.3
149.04445	2.6
152.57463	0.9
155.14368	2.0
161.04491	14.9
179.05533	24.9
185.04512	2.3
213.04446	1.0
214.65486	0.9
221.06627	7.4
235.08159	14.4
236.08582	1.1
253.09247	6.9
263.07797	6.0
263.14145	1.1
287.07755	2.5
293.21149	1.7
305.08789	1.7
323.09729	1.5
327.19955	8.4
332.16531	1.1
355.11935	1.2
397.13742	1.5
415.14606	87.0
415.21237	7.4
415.28247	2.3
416.15115	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	415.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.0
57.03324	3.0
58.00472	5.1
59.01252	100.0
59.31143	1.7
69.03320	3.2
70.15508	9.6
71.01256	74.7
72.99177	7.6
73.02822	7.0
81.03332	2.3
83.01255	8.7
85.02838	14.0
87.00736	11.2
87.86644	1.7
89.02319	82.7
94.99308	1.8
95.01269	3.5
97.02840	7.4
99.00761	5.5
101.02325	63.4
113.02341	27.2
114.61910	2.1
119.03394	28.4
121.02808	2.1
125.02335	17.6
131.03421	4.5
143.03410	12.5
147.63562	1.9
149.04504	4.1
158.86516	1.9
160.76984	2.2
161.04478	13.2
179.05531	26.1
185.04532	2.7
189.86237	1.8
221.06645	6.0
235.08159	15.3
253.09251	12.1
261.04611	1.7
263.07886	4.0
305.08884	3.0
323.88370	1.8
328.89828	2.2
415.14560	87.9
415.24127	4.1
415.29111	4.4
416.14935	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02309	0.4
57.73512	0.5
59.01250	3.0
63.62115	0.5
64.22948	0.4
68.67273	0.5
69.84247	2.4
71.01249	1.8
72.99166	0.5
73.02827	0.8
81.03329	1.8
85.02826	1.4
88.14198	0.5
93.03322	0.5
95.04922	0.8
109.02849	3.1
122.03609	0.8
123.00764	1.0
123.04411	26.5
124.01582	2.4
124.04728	0.7
133.02866	0.8
135.04405	2.3
136.01555	1.7
137.02348	38.6
138.02692	1.4
139.03928	3.1
139.29741	0.4
150.03143	1.5
151.03918	71.1
152.04712	46.4
153.05057	2.1
167.07056	10.3
167.08386	0.8
168.07510	0.5
177.01894	2.9
178.02654	4.5
191.05521	0.9
193.04976	3.9
195.02928	7.8
196.03706	100.0
197.04031	4.7
207.75415	0.4
210.05130	0.5
211.06065	54.9
212.06384	2.8
223.04599	0.5
352.15491	0.5
400.10074	17.1
401.10474	1.1
415.12442	36.7
416.12741	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	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
58.00455	6.7
59.01252	100.0
68.08852	1.4
69.03332	4.4
70.62508	6.3
71.01255	75.6
72.99176	6.9
73.02836	9.6
73.58122	1.6
73.92419	1.6
77.32897	1.9
81.03324	1.9
83.01256	5.5
84.06219	1.6
85.02822	18.3
87.00753	12.2
89.02318	81.1
95.01237	4.2
97.02843	7.9
99.04362	2.0
101.02327	65.3
113.02336	27.3
119.03389	26.8
125.02326	15.6
131.03400	4.4
132.26793	1.7
139.53107	1.6
143.03415	10.5
149.04480	2.0
158.10107	1.7
161.04492	10.9
179.05528	24.4
185.04517	2.1
188.65280	1.9
221.06694	7.1
223.31949	1.7
235.08203	14.1
253.09283	5.1
263.07736	5.4
305.08881	3.5
415.14594	78.9
415.24133	4.6
415.28726	6.6
416.15009	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	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35463	4.9
56.84370	4.8
59.01256	100.0
65.94109	5.1
85.29462	5.5
97.22267	5.7
109.04482	5.0
111.93034	5.1
125.21815	4.9
132.24257	5.6
136.56607	4.3
409.60416	5.8
413.30576	53.3
414.30771	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	413.3058
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
59.01262	0.4
59.46680	0.2
69.32423	1.9
69.32834	0.5
81.35832	0.2
85.06500	0.3
175.47716	0.3
191.69879	0.2
413.30621	100.0
414.30957	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	415.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55942	0.8
55.01751	1.5
57.03081	1.0
57.03333	11.1
59.01250	5.1
68.99670	1.0
69.28751	7.8
71.01240	2.7
72.99179	1.6
74.62529	0.9
75.00752	1.8
83.01265	1.6
84.02026	2.4
85.02827	100.0
86.03163	2.2
87.00756	1.7
96.58337	0.9
98.20578	1.9
115.00199	0.9
122.87212	0.8
124.38719	0.9
129.01822	4.9
137.02330	0.9
147.02879	6.3
149.02370	3.5
151.03934	1.6
164.04674	2.6
191.01917	21.1
191.05420	1.1
196.03653	2.1
205.23021	0.8
209.02992	9.6
211.06096	1.1
223.06055	2.3
244.52785	0.9
409.85483	1.0
433.38956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34275	0.4
57.03332	0.5
59.01255	100.0
60.01603	1.0
69.28072	4.6
69.36739	0.4
71.01256	2.8
73.02832	1.2
76.54910	0.5
78.95778	1.4
83.01283	0.6
85.02849	1.9
89.02319	1.0
96.95896	0.5
96.96867	1.7
98.20533	1.0
99.00831	0.5
101.02334	2.1
109.02885	0.7
113.02361	1.1
125.02385	0.5
135.04411	0.7
137.02400	0.5
144.31743	0.5
161.04491	0.8
201.50883	0.4
371.20648	0.6
418.95856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
71.13428	14.1
104.42223	9.9
112.18675	9.5
181.18367	10.7
181.81735	11.5
297.87509	12.5
329.64865	11.9
340.52411	12.8
413.30673	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	413.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	32.3
71.01253	3.2
71.58648	1.5
71.59029	2.6
79.95625	1.7
85.02818	3.0
96.95890	100.0
108.02051	1.8
111.00642	1.8
113.02315	1.8
117.03325	17.8
117.03960	1.7
123.04417	1.7
131.01253	4.3
134.03615	4.1
136.01593	7.8
137.02333	4.6
140.66486	1.5
149.05943	2.9
151.03938	18.4
157.07655	2.7
163.04004	1.9
173.02370	6.9
175.00235	9.4
193.05043	3.6
194.05777	1.9
195.13812	3.2
209.08127	4.8
219.07658	2.8
251.12875	4.5
269.04416	1.9
271.19064	3.8
273.17120	14.6
293.04562	95.1
294.04846	7.4
315.18091	3.2
333.19122	26.2
334.19315	2.4
335.05670	3.1
351.14655	2.2
353.12720	3.8
413.08765	22.9
413.14786	76.3
414.09595	2.5
414.15140	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	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03331	0.6
59.01253	4.0
59.63605	0.2
71.01256	5.3
71.58903	0.3
73.02823	2.2
77.51392	0.2
78.95739	0.4
80.91071	0.2
83.01248	0.4
85.02824	1.7
87.00726	0.3
89.02327	2.1
93.03336	0.9
95.01311	0.4
96.95876	0.9
99.00758	3.9
99.04406	0.3
99.07555	0.2
99.85589	0.2
101.02326	2.1
110.15837	0.3
113.02352	2.0
119.04919	100.0
120.05253	3.8
123.07207	0.3
125.02335	0.4
130.96898	0.2
131.03458	0.4
135.04378	0.3
137.02342	0.6
143.03394	0.4
150.05452	0.3
151.03896	0.4
161.04478	2.0
175.03822	0.3
175.44911	0.2
182.92426	0.3
185.02705	0.3
191.05550	1.4
232.04576	0.3
262.24542	0.3
280.09372	0.3
281.10272	1.4
314.21124	0.3
413.14569	8.8
414.14871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39866	0.2
56.33289	0.2
57.03323	0.3
58.00463	0.4
59.01254	3.4
69.25763	2.1
71.01257	5.1
72.99171	0.3
73.02835	2.0
78.95742	0.3
82.67265	0.2
83.01234	0.5
85.02831	1.5
87.00759	0.4
89.02325	2.0
93.03351	0.7
95.01302	0.3
96.95875	0.7
96.96856	0.3
99.00763	3.5
101.02328	2.6
109.02865	0.3
113.02328	2.0
119.04920	100.0
120.05248	4.0
121.02833	0.2
125.02385	0.3
128.13168	0.2
131.03429	0.3
137.02277	0.5
143.03424	0.5
151.03970	0.3
161.04465	2.3
191.05525	1.1
205.03471	0.2
231.27478	0.2
251.12599	0.2
273.92575	0.2
281.10367	1.8
293.08688	0.3
413.14493	11.3
414.14899	1.1
431.99860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58487	8.1
59.01249	100.0
62.31758	8.4
70.10261	26.9
70.10674	17.4
71.11054	7.8
104.25651	8.4
111.86517	8.8
123.92014	8.8
196.35892	8.8
279.08395	8.8
313.20490	9.1
314.87897	8.8
316.97015	9.4
375.78360	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26361	1.4
53.87949	1.2
56.23343	1.3
59.01251	34.0
71.01273	1.5
71.27023	1.2
71.57244	1.4
71.57715	1.5
83.73499	1.1
85.02843	4.2
99.15399	1.3
100.00488	1.2
101.02335	1.6
104.02577	4.9
106.13058	1.3
107.52760	1.2
110.70047	1.4
120.33585	1.3
125.02294	1.6
148.01573	5.3
150.03111	10.4
165.05515	5.8
175.99536	3.2
176.01070	66.6
177.01471	2.9
191.03426	100.0
192.03862	6.4
194.02121	1.7
204.61732	1.5
214.74690	1.2
228.93864	1.3
425.67252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73536	10.9
53.41032	11.0
54.54762	10.9
59.01252	100.0
69.46319	99.9
87.11536	11.1
98.19830	23.5
102.26258	10.3
201.26389	14.0
387.91077	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	411.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.7
57.03325	3.2
57.03793	1.6
58.00472	2.9
59.01253	77.1
59.31802	1.8
69.25230	13.8
69.25654	5.0
71.01257	40.0
71.42436	1.8
72.99183	3.2
73.02829	4.9
79.05379	3.5
81.03319	3.5
81.06980	2.7
83.01258	4.3
83.04906	4.4
85.02831	10.2
87.00761	3.1
89.02315	35.5
93.03323	2.1
93.06987	1.8
95.01285	3.8
95.04923	2.2
98.19831	3.6
99.04375	3.4
101.02318	19.7
105.06995	2.6
106.04144	2.0
107.04907	3.0
113.02329	24.7
119.03407	11.9
120.05745	3.0
121.06424	1.7
123.04401	2.0
123.08024	2.3
152.04668	2.2
161.04494	3.2
161.13277	28.2
163.11191	2.0
179.05551	6.1
183.13820	1.8
185.13339	3.0
187.11241	25.6
189.09204	1.9
205.12282	100.0
206.12653	5.6
211.13329	14.3
215.14378	1.6
219.13934	2.7
229.12273	19.4
231.10121	2.3
247.13359	4.4
249.11290	35.4
259.13425	2.3
287.23196	1.8
291.12500	1.8
351.14371	1.9
369.15317	3.3
384.02036	1.6
411.16940	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	411.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42344	6.4
57.03324	6.5
59.01252	100.0
63.95225	8.4
69.46140	65.5
71.01266	63.0
72.99171	7.3
73.02830	9.4
85.02834	11.5
89.02315	47.3
93.42162	6.8
95.01294	11.0
96.95901	9.6
98.19706	12.6
99.04459	7.4
101.02349	26.0
113.02354	30.0
119.03368	16.1
123.04417	8.6
127.56547	7.3
161.13269	30.9
179.05539	9.7
185.13266	9.7
187.11229	29.8
205.12297	98.1
206.96487	7.1
208.62775	7.5
211.13351	85.6
213.14992	7.1
216.84496	6.8
229.12384	16.3
249.11325	25.0
273.39450	6.9
411.18369	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	411.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17511	1.7
57.03320	1.8
59.01033	1.6
59.01257	17.3
68.67512	1.5
71.01263	2.5
71.57660	2.0
80.10688	1.6
80.23290	1.6
83.04873	1.7
85.02826	2.2
91.06946	1.5
99.08043	8.8
101.02315	3.6
113.02352	2.0
120.25179	1.5
121.02836	1.6
125.09619	7.7
127.11167	8.1
136.52669	1.5
137.09610	1.7
139.11203	39.9
147.37740	1.7
155.10728	3.1
155.12064	1.7
157.12245	6.4
161.04420	3.1
165.08891	3.5
165.11432	1.9
165.12733	10.9
171.10202	44.6
183.13800	1.9
185.11659	2.4
185.54713	1.7
191.06966	1.9
193.08403	100.0
194.08813	5.3
206.13005	2.0
209.07913	4.3
209.09789	1.7
209.11763	2.0
211.07965	2.7
211.13321	13.7
221.11545	4.5
229.14522	4.8
231.09998	5.5
233.11575	47.5
234.12019	2.1
237.09787	3.9
249.11003	6.7
251.11465	12.6
251.12579	12.9
252.11589	2.4
257.08118	2.4
279.10873	2.2
310.30402	1.8
329.23322	83.0
330.23770	7.8
333.19400	5.4
351.21384	43.1
352.21811	3.9
384.28345	1.6
395.20493	6.3
408.44775	1.8
411.18750	10.2
411.23090	3.8
437.69257	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	410.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09492	0.5
57.03326	0.8
59.01249	2.0
60.99194	1.0
61.90937	0.6
65.99715	2.4
67.01765	3.5
69.03333	0.7
70.92367	0.7
70.92767	1.9
71.01247	3.1
72.99183	47.8
73.02827	0.7
81.03330	1.9
83.04934	1.1
85.02821	13.3
87.00751	8.5
93.03337	24.1
96.00794	0.6
98.02345	1.5
99.04395	1.2
107.04882	1.2
109.02840	3.1
110.74828	0.6
111.04395	4.8
113.02367	0.9
115.35867	0.7
120.04418	1.0
121.02834	2.9
123.04388	2.3
125.02357	0.8
127.03918	3.1
129.01834	1.3
133.02855	2.7
134.03632	0.7
135.04416	26.8
136.04836	0.8
137.01372	0.9
137.02347	5.6
137.05942	1.1
145.02879	1.3
146.02362	0.9
146.06070	0.7
147.03160	2.6
147.04411	6.7
148.03850	1.1
149.02390	0.7
151.03917	2.8
155.03381	1.3
160.04044	0.9
162.05511	9.5
163.03914	1.5
165.05489	3.7
171.02914	1.0
173.02341	3.1
173.04480	19.8
174.01808	1.0
174.05586	7.0
176.03467	4.1
176.04758	0.7
177.01845	1.1
179.03473	0.9
190.04877	0.6
191.05539	100.0
192.03006	1.1
192.05858	3.1
200.03491	6.0
218.00995	3.9
218.04539	14.4
219.02888	2.2
219.04796	0.8
220.39180	0.6
236.05609	44.7
237.05896	2.1
247.04597	2.5
272.07855	2.9
310.12820	0.7
392.10080	4.5
410.10925	29.9
411.11453	2.9
411.18488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79836	3.9
59.01249	7.0
63.18655	2.7
65.99728	8.7
67.01743	3.2
69.89839	18.8
70.12570	2.9
71.01244	7.7
71.54570	3.3
72.99179	65.4
73.02786	2.9
84.12466	3.5
85.02807	7.6
93.03330	35.6
98.02347	4.7
98.19769	3.4
108.51968	3.0
109.02822	7.4
111.04374	5.2
121.02821	6.8
122.48696	2.8
133.02838	7.9
135.04398	27.0
137.02345	10.0
147.04443	15.6
148.03954	5.4
149.05972	3.6
150.05498	8.5
151.03836	8.5
155.03304	6.2
162.05513	9.4
165.05469	10.8
173.04472	100.0
174.05603	20.9
180.06303	3.0
191.05553	43.2
192.02969	7.6
192.06627	14.5
211.16951	2.9
218.00793	3.7
218.04520	11.9
236.05615	66.6
237.05791	3.8
410.11108	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	410.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21136	1.1
54.75780	1.0
55.79731	0.9
58.99059	0.9
59.01245	4.5
64.40106	1.0
65.99723	3.0
67.01768	2.2
69.03309	1.2
71.01257	2.0
72.99184	34.3
76.24184	1.0
81.03307	1.0
83.04928	1.1
85.02825	12.4
87.00763	7.7
93.03336	19.4
96.71156	1.2
98.02390	1.8
109.02853	1.4
110.02453	1.0
111.04374	3.3
113.02301	1.6
119.04913	1.1
121.02855	2.0
123.04414	1.7
123.75711	1.1
127.03911	2.8
133.02858	3.3
135.04413	16.9
137.02345	5.7
147.03300	2.4
147.04420	7.4
148.03915	1.2
149.02275	1.4
162.05487	7.9
165.05504	4.9
166.56970	0.9
173.02361	3.1
173.04492	18.0
174.02963	3.6
174.05563	5.6
176.03471	3.6
179.03470	1.6
191.05537	100.0
192.03041	1.4
192.05911	3.6
200.03426	8.8
218.04501	13.0
219.02956	1.8
236.05611	31.0
237.05933	1.6
259.83667	1.2
272.07770	4.7
330.09412	1.3
378.09714	1.5
392.09897	3.5
410.10913	24.8
411.11020	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01591	1.5
64.02053	0.5
65.41595	0.5
69.32125	2.0
69.32548	3.1
71.01260	3.3
73.02827	1.4
85.02821	2.8
89.02334	1.2
96.95939	1.7
99.00768	0.8
101.02322	2.4
113.02353	1.0
121.02840	0.7
131.03699	0.5
134.97156	0.5
135.04407	0.9
148.01642	0.7
160.01532	0.8
161.02448	0.7
161.04491	1.7
176.01123	1.1
191.03487	1.7
191.05470	1.1
191.07129	0.7
203.05824	0.6
214.25533	0.5
233.05540	0.8
234.07755	1.9
249.06775	0.6
289.15961	0.9
307.17624	5.3
308.18018	0.6
337.08215	0.8
349.18759	2.5
350.09317	0.8
365.11597	0.7
409.09314	0.7
409.27658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01596	1.1
71.01258	8.1
71.58195	1.2
73.02819	3.3
76.04077	0.8
83.01283	1.0
85.02818	5.1
86.71994	1.0
87.00728	1.0
89.02320	1.9
91.27674	0.7
93.03344	0.9
94.64634	1.1
96.95909	2.9
99.00740	1.6
101.02320	7.7
109.69619	0.9
113.02322	4.1
119.03395	1.1
119.14619	1.0
131.31793	0.8
135.04410	1.6
140.90923	0.8
145.12230	1.7
151.03909	1.1
161.02385	1.3
161.04471	3.5
191.05585	3.4
203.10666	1.3
205.08650	3.0
247.07388	1.2
247.09758	1.7
289.16620	4.2
307.17621	21.4
308.17883	1.3
349.18649	9.1
350.19138	1.0
356.04440	1.0
409.08752	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	11.1
58.00487	2.0
59.01259	11.1
60.04140	2.1
66.14857	2.1
66.92444	1.9
71.07829	4.7
72.84760	1.9
76.28883	2.1
76.37220	2.1
80.96394	2.4
93.06962	5.2
95.04902	19.8
96.95882	2.0
97.06472	3.0
100.02319	2.4
109.02827	5.2
111.08051	7.7
113.00841	2.4
113.09615	15.4
117.47980	2.4
122.51398	2.1
123.08033	2.1
125.09626	10.3
127.07519	2.2
127.11170	10.7
135.08057	6.1
137.02348	5.0
137.05971	8.3
137.09605	3.1
141.09132	11.9
151.11182	4.3
153.09108	3.5
155.10619	6.0
163.03943	2.7
165.09013	6.4
171.10173	6.6
178.06200	3.0
179.07066	74.1
180.07420	3.6
181.08363	5.8
183.10013	6.2
193.08417	18.9
195.10214	2.7
197.08052	2.3
201.05396	2.1
201.11267	60.1
202.11655	3.0
205.08603	2.6
207.09964	4.0
209.07881	8.1
213.11273	36.2
219.09964	2.7
223.09500	100.0
224.09709	4.5
227.12968	2.5
235.09496	33.9
241.09328	22.7
249.11076	8.0
291.19760	6.0
309.20642	9.2
327.08057	2.2
327.21750	91.4
328.22086	9.7
331.18915	43.2
332.19302	3.5
349.18860	12.1
409.20361	68.0
410.20602	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01218	1.9
61.98694	1.0
64.06474	0.8
71.38071	0.8
71.58070	0.8
75.00754	7.6
78.95744	2.4
80.96358	2.0
89.03844	0.9
93.03294	0.8
96.95853	0.8
96.96805	2.8
97.02803	0.9
107.04883	2.0
108.02058	4.7
109.02793	3.1
119.04924	5.0
121.02850	12.3
123.04430	1.1
133.02791	1.3
137.02284	1.6
148.01567	5.3
148.02576	0.9
149.02324	4.9
152.99506	1.4
157.06511	1.0
158.90599	0.7
159.04430	1.7
161.05878	1.0
172.05141	0.9
173.06010	5.8
174.65227	0.6
175.03885	1.0
175.07585	6.2
185.06004	1.6
187.03946	1.1
188.04604	0.9
197.06099	0.9
199.03986	1.0
201.05511	1.0
203.06953	1.4
212.04724	1.0
213.05594	1.7
213.09239	1.2
215.03456	1.6
216.04176	1.0
217.05000	10.3
221.09879	0.9
225.05463	0.9
226.01964	0.7
229.04967	1.8
237.07999	0.8
239.07326	0.9
240.04265	1.4
240.07843	0.8
241.05070	2.2
241.08693	1.5
243.13992	1.6
249.04439	0.8
253.05013	0.8
255.06502	1.3
255.10263	1.3
257.04617	4.6
265.04977	1.7
267.06400	1.3
279.09656	1.0
281.11719	1.3
283.06067	6.3
283.09152	1.8
291.19928	0.6
293.21231	10.7
294.21704	0.9
295.08704	1.8
297.11560	1.0
305.10745	0.9
307.09723	1.9
311.22305	14.0
312.22693	1.8
319.16003	2.4
321.17432	1.4
325.10788	35.5
325.18079	2.7
326.11157	2.8
327.18198	1.3
327.63019	0.8
329.14404	1.0
333.19733	2.1
347.15356	3.7
347.19696	1.5
348.15710	0.8
349.16962	100.0
350.17261	10.4
363.14600	1.2
367.18256	4.2
377.17557	10.2
378.17990	1.8
381.16064	10.3
391.18542	1.3
393.16821	1.1
394.17822	32.4
395.18201	3.0
409.19699	45.5
410.19986	5.0
411.16977	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	409.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.6
71.01250	6.7
71.58910	1.3
75.00743	4.8
78.95782	1.4
96.96838	2.6
103.90804	1.0
114.93327	1.2
124.01563	2.4
132.94106	0.9
147.96770	1.5
152.99509	1.9
173.98398	1.4
195.79552	1.1
201.97905	2.4
222.08664	4.4
241.00250	10.7
255.01828	2.1
256.02664	1.1
259.98499	3.0
269.03394	1.8
269.15668	1.2
270.04147	4.2
280.05847	1.1
298.07336	100.0
299.07678	6.2
311.22031	2.2
312.08923	1.1
333.20468	2.5
346.03647	1.1
409.19592	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	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.8
65.06209	1.2
69.45638	12.0
77.25497	1.3
78.95796	3.7
116.20101	1.4
120.19469	1.3
121.02847	100.0
122.03177	3.1
203.11346	1.3
352.42999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40659	0.4
51.48790	0.4
55.01757	2.2
57.03325	2.2
58.00466	0.8
59.01250	100.0
59.93715	0.4
60.01592	1.3
69.03319	0.6
69.60763	1.9
69.61172	1.2
71.01254	26.6
71.04903	0.6
72.99191	2.1
73.02819	22.7
74.03150	0.6
75.00745	0.9
83.01257	7.0
85.02818	14.8
87.00758	1.0
89.02319	6.6
95.01276	2.0
96.95907	0.7
97.02824	1.2
99.00747	8.5
101.02322	30.2
111.00773	0.7
112.01553	0.5
113.02334	14.0
119.03377	0.6
125.02335	2.1
129.01779	1.0
131.03374	2.9
143.03394	1.7
145.07616	1.6
158.37134	0.5
159.02879	2.3
161.04460	10.4
162.04694	0.8
169.08635	1.2
170.26408	0.5
191.05525	4.7
217.10716	2.2
235.11829	45.9
236.12175	2.3
238.56691	0.4
277.12912	4.8
278.13129	0.5
349.15094	1.7
367.16064	51.3
368.16425	3.8
389.93689	0.5
402.24316	0.5
409.17081	44.3
410.17435	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	409.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.6
57.03319	2.3
58.00451	1.1
59.01253	100.0
69.60131	1.4
69.60538	4.4
71.01254	24.5
72.99190	1.5
73.02819	22.1
75.00733	0.7
83.01254	5.4
85.02828	12.8
87.00750	2.7
89.02308	6.8
95.01270	1.9
97.02835	1.5
98.19829	1.4
99.00745	7.7
101.02325	27.6
101.02998	1.3
108.57008	0.9
113.02327	14.1
119.03400	1.5
125.02337	3.4
131.03377	2.9
137.02356	1.2
139.19785	0.8
143.03416	1.4
158.68181	0.7
159.02907	1.4
161.02371	0.9
161.04462	11.2
180.04300	0.9
191.05519	1.9
195.06586	0.9
200.41786	0.8
203.21921	0.8
217.10727	2.4
225.07828	0.8
235.11838	37.0
236.12195	2.1
252.11478	0.7
277.12924	3.8
326.81561	0.8
349.15161	1.5
367.16086	48.2
368.16473	3.5
409.17114	41.5
409.24860	4.4
410.17365	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69254	5.4
52.89002	5.1
54.85483	5.7
55.28234	6.6
59.01255	60.6
60.95192	6.1
71.01263	57.5
71.57861	8.6
72.99183	43.2
73.02835	11.5
75.00741	35.8
75.93004	6.8
81.81302	6.2
85.02825	16.3
87.00753	100.0
89.02316	63.4
94.80086	5.1
95.01279	10.6
96.86511	6.1
99.00768	22.4
101.02319	51.8
111.00791	10.2
113.02332	35.8
117.01810	9.2
119.03389	10.8
123.00777	17.1
127.00266	7.4
129.01805	10.7
141.01840	62.3
145.01276	8.1
147.76877	6.7
156.59296	6.0
159.02916	16.9
175.02348	10.0
177.04002	11.0
179.05504	38.5
220.09979	5.9
321.08240	37.6
339.09293	21.7
375.07019	16.4
384.68323	5.8
390.61884	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.6
58.00466	0.6
58.43761	0.3
59.01251	4.7
61.44351	0.3
71.01254	6.7
71.59280	0.5
73.02813	0.9
83.01242	0.4
83.04872	0.5
85.02817	0.6
89.02302	1.4
97.06485	1.0
101.02342	1.0
109.06470	0.6
113.02341	0.5
119.04919	0.4
123.04379	0.4
123.08064	0.6
125.09531	0.6
137.09602	0.5
139.07518	0.6
139.11200	1.0
141.12785	0.5
151.73633	0.3
157.12227	0.9
169.12279	0.4
171.10201	0.8
183.13838	1.0
185.11732	4.5
186.12047	0.4
191.05560	0.5
199.13298	0.4
201.11282	0.5
215.12848	5.4
223.13420	0.4
225.14836	0.7
227.03473	0.9
228.04178	0.5
243.03088	0.8
255.02931	4.1
256.03622	1.1
257.04410	0.7
269.21313	0.4
283.02557	0.9
285.04059	0.8
287.22229	1.8
311.22580	0.5
327.21637	0.5
329.23270	2.1
341.23428	1.2
343.21124	0.6
345.22809	10.1
346.23080	1.0
347.24081	0.5
357.22821	1.2
359.24408	0.5
371.24396	1.3
389.25424	4.5
407.07849	6.1
407.26483	100.0
408.08105	0.6
408.26834	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	407.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	7.3
58.00458	0.9
59.01250	19.2
64.86810	0.4
69.03329	1.2
70.92215	0.4
70.92541	0.7
71.01262	3.4
71.04893	1.8
73.02815	13.3
75.00765	0.6
79.95718	0.3
81.03341	0.5
83.01243	0.6
83.04896	0.9
85.02818	2.4
85.06468	1.3
87.00755	0.8
87.04382	6.6
89.02311	2.1
95.01224	0.3
95.04887	0.6
96.95870	0.8
97.06472	1.9
99.04421	0.4
99.08057	0.5
101.02330	2.5
101.05973	1.3
109.02824	1.4
109.06505	0.8
110.01582	0.3
110.02326	0.6
110.82304	0.4
111.08047	1.9
113.02330	1.3
115.07556	0.4
119.03385	0.6
121.02781	0.4
123.08062	3.1
125.09600	1.2
125.30094	0.3
127.07525	1.2
127.11169	1.7
129.09070	1.2
133.02821	0.3
137.02301	0.5
137.09618	2.5
139.07574	0.6
139.11212	0.9
141.09087	0.9
143.10652	0.8
145.08580	1.3
149.02362	0.6
149.09633	4.2
150.03101	0.4
151.11230	0.5
151.95068	0.3
152.01027	0.9
153.09143	0.9
155.10684	2.3
157.08659	0.6
157.12169	0.7
161.04463	1.3
164.04675	1.3
165.09157	0.7
167.10690	4.9
169.12233	0.5
171.10182	29.2
172.10507	1.4
173.11705	1.1
175.13359	0.5
179.07024	0.6
183.13846	0.9
185.11746	2.0
187.13313	1.2
188.85201	0.3
195.13852	1.7
197.15390	1.4
213.14853	0.7
216.37550	0.4
225.04900	0.5
227.03473	0.6
243.02939	0.4
243.16133	0.5
245.13881	0.8
253.09254	3.1
255.02982	1.5
256.03635	1.0
273.20676	0.4
289.08289	0.6
299.22342	0.5
303.21674	1.1
315.21722	0.4
333.22812	2.6
347.17203	0.6
361.25916	1.0
365.18176	0.4
377.25360	0.5
389.25427	2.9
407.08063	2.7
407.26486	100.0
408.09167	0.7
408.26816	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	407.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.3
59.01251	17.4
60.01560	0.5
60.65103	0.4
62.86559	0.5
69.03337	0.6
69.27730	4.6
71.01257	2.8
71.04893	0.6
73.02817	2.9
83.04903	0.7
85.02831	2.2
85.06455	1.7
87.00762	2.7
87.04392	8.0
89.02319	1.7
96.95888	5.0
97.06458	1.5
99.08021	0.5
101.02317	2.0
101.05939	1.4
104.68426	0.5
109.02840	0.8
109.06481	0.8
111.08037	1.1
113.02326	1.0
113.05939	0.5
115.07518	1.8
117.05550	0.4
117.53130	0.4
119.03419	0.6
120.37708	0.5
123.04435	0.7
123.08057	3.1
125.02248	0.4
125.09584	0.8
127.11176	1.8
129.09081	0.7
135.08102	0.8
137.09634	2.0
139.07544	0.6
139.11270	0.5
141.09125	1.3
143.10556	0.7
144.07779	0.6
149.02348	0.9
149.09625	2.7
149.10637	0.4
150.03113	0.6
151.11174	0.5
153.09088	1.6
155.10637	2.8
159.10204	1.2
161.04417	0.7
164.04863	0.6
165.05444	1.1
167.10695	3.0
167.57094	0.5
169.12320	0.5
171.10181	47.5
172.10548	1.7
173.11766	1.3
184.10994	0.8
187.13307	1.4
195.06528	0.7
195.13844	1.1
203.12672	0.8
213.05638	0.5
213.14857	1.1
227.03494	1.0
227.12862	0.9
243.02911	1.2
253.09264	4.8
255.02960	5.5
256.03531	1.1
257.04437	0.7
285.04019	0.9
303.21884	2.3
308.09903	0.5
315.21786	1.3
329.23441	0.7
359.15088	0.9
361.26068	0.9
365.17847	0.6
389.25464	11.2
390.25729	0.8
407.07932	6.1
407.26480	100.0
408.08154	1.5
408.26852	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	407.2051
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
57.03343	5.2
59.01248	10.9
61.98685	3.1
62.01841	2.7
62.47493	2.5
71.01257	4.7
71.59206	2.9
83.01279	3.9
95.04907	3.8
96.95911	5.3
97.06458	4.6
99.92454	2.7
101.55215	2.4
103.17447	2.4
105.43864	2.3
109.02821	3.2
111.08059	15.0
115.91939	3.6
123.04401	6.1
123.08044	2.4
125.09610	24.0
127.11184	10.1
137.09613	8.8
141.09117	7.5
143.75418	2.4
151.11197	4.5
153.09142	3.2
155.10663	3.7
165.08987	3.7
171.10156	19.0
181.08414	4.9
183.09973	3.2
193.08334	13.7
195.10280	3.4
199.09758	3.3
199.15982	2.6
201.11261	56.5
202.92360	2.7
207.09981	5.9
209.07997	13.3
212.27446	2.7
213.11235	38.6
223.09482	100.0
224.09988	3.5
225.07297	2.4
231.09941	3.7
233.86697	3.0
235.09485	37.3
241.09279	15.6
249.11156	4.4
260.10281	20.9
261.10565	2.8
278.11328	50.6
279.11810	3.3
287.16238	3.2
289.17987	14.9
307.19092	31.0
308.19437	3.1
311.16257	3.8
317.17303	4.5
320.11252	3.9
325.10907	4.1
325.20175	73.8
326.20471	5.7
329.17374	51.4
330.17639	4.2
347.18137	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43975	0.5
56.97523	0.5
59.01026	0.5
59.01257	4.9
61.39587	0.7
69.28322	1.3
69.28737	5.3
71.01261	7.7
75.00755	4.8
77.07520	0.6
78.95797	3.3
79.64497	0.5
79.95605	4.2
80.96394	7.0
84.80196	0.7
96.96827	3.9
97.93044	0.7
98.90560	0.9
114.93289	0.8
147.96799	1.2
154.72913	0.6
165.35005	0.7
171.10115	0.8
173.98422	1.1
189.97845	1.0
195.12749	0.5
201.97897	2.4
213.00739	0.8
222.08653	1.7
223.09436	1.3
241.00311	10.3
242.00763	1.0
255.01883	2.1
256.02518	1.2
259.98605	3.1
269.03430	2.0
270.04187	2.7
274.00061	0.7
295.09875	0.7
298.07343	100.0
299.07727	6.3
309.20746	1.4
331.18854	2.5
407.18677	13.3
407.27634	0.7
408.18878	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	407.0775
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
59.01254	4.6
66.89436	0.4
71.01249	1.5
71.20738	0.4
71.57853	0.4
73.02795	0.6
80.41742	0.5
85.02804	0.6
96.95869	1.1
101.02307	0.7
103.05414	0.7
108.02031	0.6
109.02158	0.4
109.02843	5.7
123.04415	5.3
127.05449	0.6
137.02322	0.7
141.06985	1.0
146.00038	0.5
149.02293	0.5
151.03900	2.4
153.01836	0.4
161.04451	0.6
171.04391	1.0
171.10234	0.7
173.02229	0.6
174.03076	0.6
175.03879	1.7
183.04417	1.3
185.06064	0.5
198.03172	0.5
199.03944	3.9
201.01933	0.6
211.03944	1.7
213.01900	0.8
213.05515	5.5
214.02678	3.4
215.03448	0.5
225.03394	0.4
225.05521	1.6
226.02759	0.5
227.03441	16.6
228.04216	8.5
229.04854	1.0
241.05081	0.5
242.02164	2.3
243.00468	0.7
243.02969	14.0
244.03285	1.1
253.04926	0.7
255.02972	69.8
256.03690	25.2
257.04495	12.1
258.04874	1.7
267.03024	0.5
269.04556	7.0
270.04944	0.8
281.04471	0.5
282.01596	3.3
283.02460	7.6
284.03247	2.2
285.04050	13.9
286.04462	0.8
297.04028	5.2
311.68881	0.5
317.10370	0.5
355.16061	0.5
389.06540	2.2
407.07721	100.0
407.26169	1.6
408.08057	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	407.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06427	1.0
57.03310	2.0
59.01244	4.9
61.98706	1.4
65.85604	1.1
72.25496	1.3
74.42771	1.2
79.95618	6.3
80.96392	100.0
119.01685	1.2
121.02871	1.5
123.04404	1.8
125.02305	1.9
132.83829	1.3
135.08051	2.0
137.02345	2.0
151.03920	2.9
153.09142	2.1
153.12770	2.2
153.36380	1.1
155.14345	4.1
171.10158	2.5
173.05981	2.3
177.05394	1.1
179.14339	1.4
186.06824	3.5
187.07782	2.7
189.09161	1.3
197.06049	1.5
199.07690	2.2
207.10133	1.9
223.07568	1.3
234.92850	1.3
239.07190	1.5
247.20692	7.3
248.20966	1.6
271.96423	1.1
281.08194	2.2
281.41974	1.2
283.06186	1.7
291.06332	1.2
291.19681	21.6
292.20212	1.5
293.08453	1.4
295.06158	2.7
297.07806	3.7
298.07516	1.7
305.08240	1.6
309.07767	3.7
309.11307	2.0
325.18430	61.6
326.18591	5.9
338.11795	3.4
351.12369	5.8
367.57043	1.6
407.18726	96.7
408.19098	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	405.2646
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
57.03320	0.9
57.90738	0.6
59.01247	2.6
69.29677	0.7
69.30019	6.8
81.03288	0.6
83.04872	1.7
83.05725	0.6
93.03330	0.7
95.04883	0.9
96.26563	0.5
97.06454	0.8
98.19775	1.0
99.54002	0.6
105.54982	0.6
109.06493	1.2
111.08041	0.7
112.21144	0.5
125.14646	0.6
135.08017	0.9
155.54514	0.6
166.54535	0.6
169.43523	0.6
181.12251	0.7
203.14433	0.7
205.15945	0.7
207.17403	0.8
211.13417	1.4
213.14951	1.8
231.17479	1.0
239.16489	2.5
241.18094	2.1
243.19472	0.9
247.13235	1.2
267.19650	1.1
275.16541	1.0
315.26788	3.1
317.28345	0.9
319.21109	1.1
325.25342	4.3
326.25717	0.9
333.27945	1.1
341.24884	2.2
343.26276	4.5
351.23141	1.1
359.26001	3.6
361.27444	3.5
369.24356	5.0
377.26825	0.8
379.89392	0.6
387.25409	13.1
388.25583	1.6
405.26453	100.0
406.26804	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	405.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.3
59.01254	3.4
69.03329	0.5
69.88361	1.1
69.88773	3.2
71.01245	0.8
72.46838	0.6
78.50262	0.6
83.04896	1.5
95.04873	0.6
95.14252	0.5
97.06454	0.9
100.47540	0.6
111.08069	0.6
111.95804	0.5
130.31458	0.6
135.08073	1.2
135.96153	0.7
139.92294	0.6
155.10724	0.6
155.99442	0.6
183.71222	0.6
195.13948	0.7
211.17030	0.9
213.14772	1.1
231.17674	0.9
233.42981	0.7
239.16533	2.2
241.18050	3.5
247.13522	0.6
253.18193	0.7
267.19659	2.3
275.16550	1.8
279.69107	0.6
313.24991	0.7
315.26874	1.9
325.25311	3.3
333.27869	1.9
341.24817	1.9
343.26389	5.7
351.23306	1.2
359.25836	2.3
361.27484	4.3
369.24475	5.1
377.27167	1.2
387.25351	12.0
388.25571	1.5
405.26443	100.0
406.21408	0.7
406.26791	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17285	0.3
55.01754	1.3
57.03321	1.8
58.00467	4.7
58.02845	0.4
59.01251	100.0
60.01587	1.0
68.35944	0.3
69.76808	2.3
70.29312	0.3
71.01253	66.0
71.41686	0.3
72.01585	0.8
72.99180	4.4
73.02829	1.3
74.02351	1.4
78.57449	0.3
83.01252	2.4
85.02827	11.4
85.03348	0.6
86.02408	0.4
87.00749	3.3
89.02316	79.2
90.02652	0.9
95.01263	3.8
97.02831	0.5
98.31223	0.3
99.05510	0.9
101.02321	30.3
102.02671	0.4
107.03375	0.3
109.06545	0.3
113.02328	22.3
114.02676	0.5
118.59457	0.4
119.03387	30.7
119.86617	0.3
120.03711	0.5
125.02330	0.7
128.03400	2.4
129.03722	0.8
131.03397	2.8
133.01323	0.5
143.03372	4.8
143.04504	2.8
144.04840	0.7
149.04434	3.0
160.00623	0.7
161.00893	0.4
161.04466	5.2
179.05548	14.0
185.95015	0.3
191.05487	0.6
210.08864	0.4
211.08920	0.4
234.69199	0.3
243.06876	0.3
243.15910	0.9
254.07774	0.8
255.08076	0.7
267.07184	0.3
272.08777	0.5
273.09119	1.0
306.07526	1.2
307.08047	2.1
308.07315	0.9
328.31873	0.3
405.21530	1.7
418.69919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	48.5
62.18513	13.6
69.69714	100.0
87.87947	13.8
88.01463	15.8
89.02330	23.3
89.42300	15.6
96.95872	23.5
97.11745	12.8
98.20538	20.0
102.15282	12.7
119.04951	35.3
120.73332	14.2
126.25999	14.1
162.99287	13.7
171.10278	20.0
172.78389	16.9
172.80348	13.6
221.08185	14.3
323.12881	30.4
405.26315	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	405.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.4
57.97415	0.5
58.00473	0.5
59.01255	16.0
69.03320	0.8
71.01257	10.2
71.04899	1.0
71.58854	0.4
71.59287	0.8
72.99192	0.8
73.02814	4.7
75.00744	0.5
78.68555	0.4
83.01273	0.6
83.04910	1.0
85.02827	2.7
85.06450	0.9
87.00756	1.0
87.04392	3.9
88.87285	0.4
89.02314	7.2
95.01280	0.6
96.95927	0.6
97.06471	1.6
99.04404	1.0
101.02324	4.1
101.05959	1.7
109.02860	0.4
109.06451	0.6
110.20635	0.4
111.08031	1.2
113.02329	3.0
113.05969	0.6
113.09631	0.6
115.07519	0.8
119.03412	2.9
123.08038	1.3
125.09603	4.1
127.11170	1.4
129.09108	0.9
137.09619	2.7
141.09096	0.9
143.10687	0.7
149.09599	0.9
151.11185	0.6
153.09138	2.1
155.10664	2.0
161.04543	1.2
165.09109	0.5
167.10689	0.6
171.10165	5.7
173.11732	1.6
179.05527	1.6
181.12239	0.7
183.10268	0.5
184.10902	0.8
185.11742	0.7
195.13821	1.4
201.11302	1.6
207.13834	0.5
213.14935	1.1
215.12720	0.5
221.12517	0.4
225.14746	0.5
226.32076	0.4
231.12262	1.0
241.14325	0.6
243.12303	1.3
243.15967	2.0
259.15430	2.6
262.14294	0.5
271.10272	0.5
285.12711	0.4
285.20764	0.6
289.24393	0.4
327.21753	1.7
343.21262	3.7
345.22845	0.9
361.22443	1.0
369.22876	0.7
387.23865	4.2
405.24954	100.0
406.25308	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	405.2131
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01740	0.5
57.03309	0.6
58.00462	0.8
59.01253	20.7
69.71496	2.0
71.01253	13.6
71.04871	0.8
72.99162	0.8
73.02812	1.9
83.01231	1.3
85.02415	0.4
85.02823	4.0
87.00723	1.1
88.80436	0.3
89.02315	7.8
95.01250	0.9
96.95911	0.5
99.00737	0.6
99.04424	0.4
99.50299	0.4
101.02321	7.6
103.59048	0.3
113.02336	4.7
119.03368	2.2
125.09570	1.1
143.46867	0.3
153.09032	0.4
171.10121	0.6
175.20480	0.3
181.15872	0.7
187.09587	0.9
199.16986	0.3
225.14923	6.1
226.15158	0.4
243.06467	0.5
243.15991	12.2
244.16254	0.7
387.19974	2.3
387.24146	0.3
405.21152	100.0
406.21542	11.9
423.05179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
50.17285	0.3
55.01754	1.3
57.03321	1.8
58.00467	4.7
58.02845	0.4
59.01251	100.0
60.01587	1.0
68.35944	0.3
69.76808	2.3
70.29312	0.3
71.01253	66.0
71.41686	0.3
72.01585	0.8
72.99180	4.4
73.02829	1.3
74.02351	1.4
78.57449	0.3
83.01252	2.4
85.02827	11.4
85.03348	0.6
86.02408	0.4
87.00749	3.3
89.02316	79.2
90.02652	0.9
95.01263	3.8
97.02831	0.5
98.31223	0.3
99.05510	0.9
101.02321	30.3
102.02671	0.4
107.03375	0.3
109.06545	0.3
113.02328	22.3
114.02676	0.5
118.59457	0.4
119.03387	30.7
119.86617	0.3
120.03711	0.5
125.02330	0.7
128.03400	2.4
129.03722	0.8
131.03397	2.8
133.01323	0.5
143.03372	4.8
143.04504	2.8
144.04840	0.7
149.04434	3.0
160.00623	0.7
161.00893	0.4
161.04466	5.2
179.05548	14.0
185.95015	0.3
191.05487	0.6
210.08864	0.4
211.08920	0.4
234.69199	0.3
243.06876	0.3
243.15910	0.9
254.07774	0.8
255.08076	0.7
267.07184	0.3
272.08777	0.5
273.09119	1.0
306.07526	1.2
307.08047	2.1
308.07315	0.9
328.31873	0.3
405.21530	1.7
418.69919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
55.01748	2.1
57.03322	6.4
58.00471	3.3
58.02872	0.5
59.01252	65.3
62.97580	0.4
69.03319	1.1
70.92101	0.5
70.92426	0.9
71.01254	62.3
71.04906	2.5
72.01591	0.5
72.99179	4.1
73.02824	10.8
74.02355	0.9
75.00748	0.9
81.03339	1.3
81.53120	0.4
83.01266	4.3
83.04895	0.8
85.02825	14.9
86.02358	0.5
86.03162	0.6
87.00742	2.4
89.02318	48.1
90.02672	0.7
95.01260	3.8
95.04926	1.0
97.02843	3.2
97.06468	1.1
98.03611	3.1
99.00779	3.1
99.04398	4.8
99.05476	0.4
100.05788	0.4
101.02324	33.4
102.02708	1.0
109.02824	0.8
109.06507	1.4
111.00772	0.8
111.08041	0.6
113.02331	23.8
113.05978	1.0
114.02720	0.6
119.03391	21.5
121.02908	0.5
121.06500	0.8
123.08048	4.6
125.02361	1.0
125.09612	3.1
127.07561	1.6
128.03421	1.6
129.01892	0.5
131.03421	2.0
135.08058	1.0
137.06012	0.6
137.09627	4.6
138.06752	5.1
139.07541	1.4
141.09111	12.9
142.09421	0.7
143.03412	4.2
143.04552	2.8
144.04893	0.7
147.11749	0.9
149.04501	1.2
149.09619	0.8
151.07524	0.7
151.11182	2.8
153.09109	11.6
155.10735	1.3
155.54271	0.4
159.02921	1.9
161.04466	14.4
162.04785	0.7
163.11217	3.0
165.09129	13.2
165.12843	0.5
167.10738	1.1
175.07487	0.5
179.05536	6.2
181.12299	2.6
183.10210	1.4
189.12781	4.2
195.13849	3.5
205.12347	1.7
207.13873	9.8
223.13365	2.5
225.14917	15.7
226.15230	1.0
241.14417	3.6
243.15990	100.0
244.16301	5.5
255.08185	0.5
258.93051	0.5
272.08810	0.5
273.09167	0.7
283.35101	0.5
306.07645	1.1
307.08014	1.6
346.29324	0.5
393.60822	0.5
405.21375	22.2
406.21732	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	405.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
59.01245	1.8
70.32967	1.3
70.33347	1.2
71.04890	0.6
72.99191	1.4
75.08477	0.6
80.96392	100.0
103.09406	0.6
104.81189	0.6
107.08562	1.3
126.26563	0.5
131.00186	0.6
135.08055	1.3
137.09590	1.7
139.05788	1.7
151.11172	1.8
153.09148	1.9
153.12726	1.8
177.12708	0.6
182.07590	1.4
187.07826	1.4
191.14447	0.8
196.16568	0.7
216.06194	0.7
216.08183	1.3
245.19095	7.6
271.17053	1.5
289.18115	21.4
290.18506	1.5
305.15891	1.5
313.00238	0.7
323.16855	62.5
324.17206	5.3
405.14093	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03322	2.9
58.82278	0.9
59.01251	45.3
70.92500	1.9
70.92861	1.7
71.01251	21.7
71.04922	1.4
72.99200	1.5
73.02818	66.9
74.03152	1.8
83.01273	2.7
83.04942	0.9
85.02822	6.3
87.00780	2.5
87.04393	5.6
89.02315	19.6
91.88155	1.0
95.01275	1.6
96.95894	2.2
97.06483	1.5
99.04455	0.8
101.02323	13.0
109.06480	1.8
111.08069	1.6
113.02318	8.8
113.09576	0.8
116.22721	0.9
119.03395	9.8
123.08063	2.6
125.02332	1.0
125.09606	14.5
129.05476	3.1
137.09619	1.4
139.07610	1.1
139.11217	2.7
143.03473	2.0
155.10660	1.4
161.04517	3.6
164.79744	1.1
165.05542	1.0
165.12781	1.1
167.10696	3.0
169.08603	5.8
179.05583	3.3
181.12247	9.4
183.10159	4.3
187.09717	5.0
187.13345	1.6
199.13336	12.1
201.11299	2.9
207.13936	1.4
217.14481	1.1
223.13280	1.1
225.11221	6.1
231.12366	6.6
243.12354	100.0
243.16109	4.1
244.12668	5.7
245.13916	1.3
267.12497	3.5
285.13443	4.1
342.41580	0.9
345.15704	3.0
361.22397	1.0
387.23865	5.9
402.52521	0.8
405.16779	1.9
405.25061	46.2
406.25583	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	6.4
58.97285	1.3
59.01252	100.0
60.49060	1.3
69.03339	2.6
69.36172	13.5
71.01250	23.9
71.01614	1.8
71.04908	3.8
72.99208	2.5
73.02819	62.5
77.56386	1.5
83.01273	2.7
85.02829	10.7
87.00781	4.1
87.04416	3.1
89.02315	19.8
92.58411	1.4
96.95932	2.1
97.02849	1.9
97.06512	2.7
99.00808	1.5
99.04412	2.7
101.02326	18.8
109.02845	1.4
109.06460	1.4
113.02338	12.3
113.06013	1.7
119.03406	8.0
121.02917	1.4
123.08099	3.2
125.02246	1.4
125.09596	18.3
127.07541	1.9
133.06427	1.5
137.09685	4.2
138.06825	1.9
139.07619	2.2
139.11198	3.1
141.09193	4.9
143.03424	1.9
151.11263	1.5
153.09132	2.9
155.08691	1.4
155.10773	1.9
157.06563	7.1
157.26392	1.3
159.04408	9.2
161.04472	9.4
165.05579	2.4
165.09203	2.8
169.08615	12.6
173.06143	4.3
175.07597	21.4
179.05608	3.6
181.06592	5.7
181.12357	4.8
183.04561	1.8
183.10188	33.6
184.10603	2.4
185.02486	2.7
189.13005	1.6
199.07625	14.5
201.05470	9.5
201.11302	1.9
207.13914	2.9
225.05518	19.1
225.11383	3.8
225.14972	4.3
231.12334	3.1
235.08224	2.0
241.14807	2.1
243.06598	92.1
243.12288	17.6
243.16003	26.6
243.18315	2.0
244.06920	8.5
244.16573	2.8
285.13565	1.8
304.42224	1.3
311.10770	1.5
345.15524	1.8
387.16721	1.7
387.24170	5.1
405.17053	6.4
405.25204	43.4
406.25507	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	404.2076
Annotation	Icacine
Peak:m/z	Relative Intensity
54.74710	1.0
57.03317	3.1
59.01248	2.8
61.98703	2.3
71.39075	1.3
71.39393	1.6
72.99191	1.8
80.96390	6.4
81.67787	1.1
84.04421	1.9
88.11070	1.0
91.68552	1.2
97.06512	5.2
99.14944	1.2
105.06975	1.9
107.03668	2.6
107.17412	1.1
123.08034	4.5
125.09603	21.0
147.08006	1.2
148.07587	84.9
149.07951	3.6
150.09152	5.6
160.03951	3.2
163.11234	1.5
174.09186	1.4
177.12677	1.9
185.11772	5.0
189.07918	7.7
190.12320	4.6
203.82339	1.1
211.41710	1.0
216.10205	3.6
220.43486	1.1
222.11378	1.6
231.17485	9.8
234.11324	3.2
257.15347	1.4
269.43402	1.1
274.18124	3.7
275.16501	11.6
289.18149	1.4
300.16180	5.5
318.17108	47.1
319.17566	5.4
323.16956	3.8
342.20810	1.7
360.21924	2.1
386.19919	5.5
387.20120	1.2
404.20779	100.0
405.21222	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	405.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.6
59.01261	20.2
71.01257	8.2
71.58819	1.6
71.59205	2.5
72.32274	1.7
73.02835	7.8
75.00752	2.6
85.02823	4.7
89.02345	5.2
91.01797	2.7
93.03339	61.4
94.03678	2.6
96.95884	2.8
97.06504	1.6
101.02323	2.8
105.81853	1.7
108.02055	48.4
109.02894	8.2
112.26061	1.7
129.57272	1.5
135.04457	2.4
139.11186	1.9
146.37689	1.4
151.03995	2.0
155.09036	1.7
161.04472	2.2
200.33228	1.6
201.05511	100.0
201.11308	2.5
202.05872	5.5
243.06683	7.2
243.15930	2.9
292.77951	1.7
345.22964	2.0
363.19824	2.0
387.27731	2.6
405.20340	3.4
405.24524	22.5
405.28809	7.0
406.24905	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	405.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70016	1.0
57.03317	1.8
59.01251	3.9
71.58673	1.5
72.99197	1.6
75.74261	1.0
80.96394	100.0
88.98684	1.8
107.44277	1.0
135.08032	1.4
139.05713	2.0
151.11273	2.1
153.09097	2.7
153.12761	2.6
182.07622	1.4
187.07935	1.9
216.08344	1.3
220.14664	10.2
221.15196	1.7
245.19095	8.0
275.12601	1.1
289.18069	15.3
290.18396	2.2
323.16864	60.4
324.17258	6.4
361.92923	1.0
405.13995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98181	3.2
59.01255	100.0
60.79952	3.1
61.98716	3.9
63.90715	4.4
65.96756	3.0
71.16470	7.6
96.45118	3.2
97.59496	3.2
113.40102	2.9
151.02269	3.4
177.33443	4.0
275.16452	4.0
295.88651	3.4
318.16998	12.3
329.23294	8.0
403.09979	3.5
403.24524	6.7
403.28989	6.6
404.20688	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	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57619	0.6
61.98705	100.0
63.81332	0.6
64.91900	0.7
69.74591	3.2
69.74997	1.7
115.85518	0.7
135.23651	0.7
137.56386	0.7
151.78645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89244	1.5
57.03339	2.1
58.00465	4.4
58.02849	13.7
59.01253	100.0
59.92881	1.3
66.03333	1.3
66.27106	1.4
69.57807	7.0
69.58220	2.7
71.01255	65.5
72.00747	1.7
72.99187	4.0
73.02834	3.9
74.02345	23.7
82.02858	2.3
83.01279	1.8
85.02828	9.2
85.86501	1.5
86.02347	10.2
86.98995	1.7
87.05525	7.6
89.02318	79.4
90.00062	4.5
95.01269	3.6
97.03964	4.1
99.05514	21.6
101.02323	32.6
101.07079	3.8
102.05488	3.1
109.03971	3.2
109.07623	1.7
112.03934	4.7
113.02332	21.9
116.01684	1.6
119.03392	33.0
123.05555	2.9
125.03477	2.2
127.05036	4.8
128.02489	3.0
128.03435	50.3
131.03403	3.1
131.04482	2.1
135.05530	5.0
137.07144	2.1
141.06587	6.4
143.03448	5.6
143.04524	82.8
145.06087	3.9
146.04483	5.0
153.06638	5.3
160.00652	17.9
161.00931	1.6
161.04465	4.2
166.09760	2.8
167.04530	5.6
167.08205	2.9
177.03346	6.3
179.04454	8.8
179.05580	11.7
181.06055	2.8
185.05656	3.3
192.07629	1.6
197.05641	3.2
210.08812	13.7
239.25122	1.7
242.07861	1.8
243.15997	6.6
254.07797	18.9
272.08859	30.1
288.06564	9.9
306.07669	72.0
307.07953	4.7
405.21512	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	403.1976
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01758	3.4
57.03329	11.5
58.00460	5.2
59.01253	100.0
71.01257	98.3
71.04902	2.7
71.45631	2.1
72.29421	1.5
72.99180	10.8
73.02818	20.6
75.00748	4.7
83.01250	6.8
85.02823	22.8
87.00754	18.8
89.02320	76.2
95.01272	5.7
97.02903	2.1
97.06482	4.5
99.00767	3.7
99.85859	1.7
101.02329	52.4
105.01817	3.2
109.02834	1.9
109.06480	5.1
111.04425	3.4
111.08028	4.2
113.02343	38.6
119.03395	33.1
125.05988	2.7
127.07571	3.6
129.01839	2.1
131.03378	3.4
131.42995	2.0
143.03404	5.7
147.08032	8.0
149.06035	2.0
151.07486	1.7
159.02849	3.2
161.04489	16.4
163.11151	1.7
165.09128	25.8
167.10622	2.3
179.05560	9.0
179.10674	3.3
181.12288	2.0
190.09857	1.7
191.10619	2.5
194.06981	1.6
200.48207	1.6
205.12270	23.1
221.11766	4.5
222.12555	23.0
223.13335	28.8
224.13708	2.0
241.14330	1.6
247.13335	2.3
302.17343	1.8
385.18851	3.0
403.19653	8.7
404.20404	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	403.1974
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
51.81819	0.8
55.01764	3.1
57.03331	8.6
58.00466	2.7
59.01251	100.0
60.01593	0.9
60.35238	0.9
69.32122	1.7
69.32523	8.8
69.83281	0.9
71.01255	54.4
71.04874	1.3
72.01584	2.3
72.99184	7.4
73.02818	11.8
75.00746	15.1
83.01254	4.4
83.04889	1.9
85.02834	18.7
87.00763	10.7
87.04404	4.2
89.02318	27.1
95.01276	3.4
97.02792	1.0
97.06442	1.8
97.69171	0.9
99.00759	5.4
99.04413	1.5
101.02324	22.9
102.02677	1.6
103.02762	1.2
105.01821	14.6
109.02147	0.9
111.08015	1.3
111.56590	0.9
112.38185	0.8
113.02330	21.4
113.03066	1.5
114.02692	2.4
114.46680	0.9
115.02774	1.0
119.03389	9.4
119.08570	1.7
121.06578	1.1
122.82664	1.0
123.04362	1.1
123.08043	1.7
125.02335	1.9
125.06064	0.9
129.01811	2.9
129.05530	1.3
131.03436	2.3
133.10226	1.3
135.08041	2.4
137.09627	4.5
139.07571	1.4
143.03404	1.3
149.09544	1.2
151.11200	1.2
153.09129	2.8
159.02892	1.3
161.04491	9.6
161.09613	4.8
162.04865	1.6
163.07599	0.9
163.11166	1.3
175.02444	2.1
177.12794	5.3
179.05493	2.7
179.10706	5.4
179.14363	4.3
181.08652	7.8
191.05463	1.6
195.13890	1.3
197.11768	44.8
198.12097	3.6
205.12280	4.5
207.13783	2.5
223.09799	6.7
223.13319	20.2
224.13687	1.2
241.10786	61.7
241.14336	6.2
242.11217	3.7
269.10327	1.8
269.17584	4.3
271.10880	6.2
283.11853	3.3
286.80432	1.1
289.74442	1.0
301.16083	1.0
312.84879	0.8
327.09988	1.2
343.13956	1.5
385.18552	1.5
403.15219	12.1
403.19760	47.2
404.19937	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	403.1973
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
52.47985	0.6
52.83750	0.6
53.33926	0.6
55.01746	2.5
57.03328	3.0
58.00465	1.7
59.01252	51.4
60.01575	0.7
69.03316	1.7
71.01254	28.8
72.99165	1.8
73.02825	7.1
81.03335	1.1
83.01250	6.7
85.02824	13.5
85.99965	1.4
87.00751	4.7
89.02299	3.9
95.01269	3.1
97.02821	2.2
99.00761	4.2
101.02323	13.7
109.02819	1.9
111.00731	1.4
113.02327	8.5
119.03351	1.2
121.02791	0.7
124.01559	1.0
125.02356	3.1
133.02844	1.5
135.04379	1.1
137.02332	2.7
143.03445	1.5
148.56421	0.6
165.01808	1.1
178.02611	1.0
179.03331	0.9
181.12204	1.4
199.13301	11.4
200.13713	0.9
213.14867	1.1
259.45657	0.7
275.09283	0.7
288.83908	0.6
289.07184	1.1
306.07413	2.7
343.17615	21.8
344.17883	1.7
361.18665	57.4
362.18896	5.1
403.19659	100.0
404.19974	12.1
418.07111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76492	0.5
54.72384	0.5
59.01252	100.0
60.01599	1.0
64.57500	0.4
69.47747	2.0
69.48178	2.1
71.01258	1.6
72.99252	0.4
73.02827	0.7
83.01261	0.6
85.02830	1.0
89.06661	0.4
89.78018	0.5
90.81134	0.4
98.20545	0.5
101.02340	1.0
109.02840	1.0
109.15088	0.5
110.31097	0.4
113.02354	0.8
125.02332	0.5
133.02887	2.0
134.03691	0.8
134.56870	0.5
137.02367	3.2
151.03856	0.5
165.01917	0.6
177.01868	0.5
178.02673	2.2
179.03529	0.5
227.92081	0.5
258.50125	0.5
306.07413	4.6
306.72662	0.5
307.07922	0.6
403.13995	0.6
403.18802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01765	2.2
57.03326	11.5
58.00463	5.0
59.01252	100.0
60.01610	1.0
67.82503	1.0
69.67429	7.6
69.86315	1.0
71.01255	76.1
72.99186	7.3
73.02822	5.5
75.00729	1.1
81.03340	1.8
83.01274	5.5
83.04905	1.8
85.02824	20.6
87.00750	5.3
87.85183	1.0
89.02316	70.7
95.01264	5.8
95.04896	2.2
97.02805	2.0
99.00743	2.9
99.04406	1.2
101.02328	46.6
102.02641	1.9
102.05457	1.1
107.04891	1.2
109.02821	2.4
109.06484	2.3
111.04436	1.7
113.02332	29.3
119.03389	36.9
123.04365	1.5
123.08060	9.5
124.05212	12.1
125.02298	2.1
128.03502	1.1
131.03395	2.8
133.06586	1.2
135.04416	1.5
135.08026	1.2
136.05188	4.7
137.02335	1.4
137.09625	3.1
139.07550	51.8
140.07814	1.1
141.09137	1.6
143.03403	6.7
143.04488	1.8
149.04448	4.3
149.09589	1.7
151.07559	20.6
151.11201	2.7
153.09129	3.4
159.02856	1.5
161.04465	7.4
161.09650	3.7
163.07524	1.3
163.11201	6.3
165.09082	3.1
167.03438	8.7
169.08653	2.5
175.07562	1.4
179.05508	9.1
179.10684	15.6
181.08578	1.4
182.05673	1.6
187.11179	1.2
191.05611	2.0
193.12244	10.9
197.11742	1.9
199.09737	1.2
203.10776	3.2
205.12251	8.6
211.13327	3.3
221.11824	4.2
223.13327	18.0
224.13782	1.3
226.04790	5.0
241.05011	1.3
241.07222	5.3
241.10565	2.8
241.14421	88.1
242.14757	7.7
253.04518	2.2
283.11401	1.2
403.11526	1.9
403.19775	39.9
404.20114	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	403.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14765	0.6
54.42523	0.6
57.03299	1.2
59.01246	2.4
60.99172	2.9
65.03802	0.7
67.01759	7.1
69.03318	1.8
69.52181	4.9
71.01254	4.2
72.99181	36.8
73.02824	0.8
74.80567	0.7
79.26775	0.6
81.03340	2.6
83.04908	1.9
84.38215	0.7
85.02828	17.0
87.00752	10.7
93.03339	49.1
94.03675	1.7
95.01249	1.6
95.04902	1.3
97.02827	1.0
99.00751	1.4
99.04408	0.8
101.02304	1.1
102.08942	0.6
108.02045	1.9
109.02828	6.1
111.04407	7.9
113.02303	0.7
114.49583	0.6
115.03930	0.7
121.02847	5.5
123.00786	1.6
123.04408	3.3
124.01556	2.8
125.02305	1.9
127.03925	2.9
129.01877	0.8
133.02872	0.9
135.04413	0.7
136.01564	4.7
137.02345	54.6
138.02695	2.0
139.03914	12.4
149.02347	9.8
150.02736	0.8
151.03931	1.1
153.01907	1.8
155.03403	1.5
155.04678	0.6
165.01825	2.8
167.03445	7.3
171.02911	1.4
173.04472	41.0
174.04834	1.6
177.01840	1.1
191.05544	100.0
192.05865	4.2
193.01361	7.6
193.06093	1.0
203.91553	0.7
211.02397	2.3
229.03506	1.2
247.04581	14.6
275.92453	0.7
340.95154	0.7
369.08008	0.8
385.07736	2.1
397.37546	0.6
403.08929	2.5
404.08963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.306
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
59.01265	0.8
64.51756	0.4
65.36002	0.4
69.83467	1.9
71.01247	0.5
72.45670	0.4
85.02789	0.4
121.02856	4.5
162.56155	0.5
164.63919	0.4
167.95009	0.4
225.05550	0.5
279.49222	0.4
291.58514	0.5
313.07074	0.7
361.70020	0.4
401.30612	100.0
402.30923	12.0
402.36212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.3
58.35701	2.9
59.01254	19.9
67.01766	6.2
69.03323	3.8
71.01262	9.9
71.57964	4.1
72.99178	20.1
74.02380	4.7
75.76131	2.2
81.03318	3.8
85.02836	19.2
87.00763	11.2
89.02322	5.1
93.03337	36.9
95.01250	5.6
95.04900	5.9
101.02331	5.9
109.02843	13.1
110.68948	2.6
111.00781	5.4
111.04410	8.4
113.02314	5.8
121.02843	10.4
123.00809	7.6
123.04404	20.9
125.02390	4.6
128.03433	7.6
137.02345	35.9
139.03896	11.6
143.04530	11.5
149.02348	12.4
151.03993	3.6
155.03415	5.2
157.04962	8.1
160.00713	3.3
167.03421	42.3
171.02850	4.7
173.04474	100.0
174.04802	4.8
180.40260	2.9
181.04961	4.6
182.05809	3.3
191.05556	92.0
192.05865	5.5
193.01364	11.9
210.08658	3.7
211.02470	7.0
226.04794	3.9
229.03490	4.4
241.07164	5.4
247.04611	5.2
271.46729	2.8
272.08798	4.3
284.09705	3.1
306.07568	11.7
403.08334	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	401.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94936	2.7
53.00536	2.7
56.55963	2.2
59.01255	100.0
59.24556	2.8
61.59066	2.4
63.76012	2.3
68.59156	2.3
69.16122	2.2
69.94306	11.6
74.50818	2.3
83.17053	2.9
91.03867	3.2
96.95876	3.5
98.19914	4.3
115.60017	2.4
121.02844	38.5
126.21695	2.3
247.58655	2.4
258.33258	2.9
269.77765	2.7
313.07080	14.1
327.21683	10.5
357.05942	4.8
401.08667	9.2
401.23154	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	401.1453
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01749	5.1
57.03314	6.2
59.01248	42.0
69.26128	4.7
71.01255	84.9
73.02821	39.7
83.01265	15.7
85.02821	40.9
87.00768	6.5
89.02323	19.0
95.01295	4.6
99.00749	20.4
101.02325	62.7
113.02340	37.9
143.03387	7.9
161.04451	59.3
161.39368	5.1
182.11746	5.2
224.55490	4.4
229.21484	6.9
264.70367	4.5
269.10312	92.9
270.10712	6.4
296.69534	4.5
401.14468	100.0
401.19388	8.9
402.14816	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.3
57.03323	7.5
58.00459	2.1
58.24182	0.8
59.01252	49.9
66.16883	0.7
69.03306	1.6
69.53059	6.1
69.53459	1.6
71.01255	94.7
72.01569	1.6
72.99181	5.4
73.02821	38.3
75.00739	4.4
81.03333	1.3
83.00797	1.3
83.01260	14.0
84.02027	0.8
85.02825	46.6
85.99971	1.1
87.00746	5.8
89.02322	23.2
95.01265	5.4
96.67522	0.8
96.95884	3.4
97.02825	3.4
99.00756	21.9
101.02323	68.7
102.02662	1.2
105.01830	2.4
107.04906	5.9
111.00753	2.7
112.01523	2.7
113.02330	38.2
114.02640	1.0
119.03334	1.5
125.02354	8.3
127.00281	1.1
129.01837	2.0
131.03369	3.2
135.04408	1.4
143.03407	6.2
149.04442	2.0
159.02940	7.8
161.04465	59.5
162.04744	2.1
173.04367	0.8
177.09166	0.8
181.08525	1.1
189.24725	0.8
191.05499	5.3
191.98981	1.0
203.07053	1.3
204.28496	0.8
205.03526	2.0
205.65314	0.9
221.11691	1.1
233.06596	2.3
244.47234	0.9
267.15952	1.2
269.10291	100.0
270.10666	5.9
275.79221	0.9
281.77356	0.9
293.08685	2.9
313.09488	0.9
401.14435	93.1
402.14801	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	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01760	1.5
57.03320	2.0
58.02831	1.6
59.01251	14.2
62.24810	0.8
66.46950	0.8
70.02866	1.0
70.87243	2.1
71.01256	39.8
72.01604	0.9
72.99181	1.2
73.02826	10.5
75.50875	0.7
83.01247	4.6
85.02821	17.1
87.00758	2.0
89.02337	5.3
93.03341	2.3
95.01297	1.7
96.00833	0.9
96.95872	1.1
97.02823	1.2
99.00757	11.2
101.02329	18.2
102.58115	1.1
107.04910	100.0
108.05241	2.6
109.02853	1.1
113.02334	13.9
113.03117	1.2
113.03460	1.3
114.01854	1.4
121.02822	1.5
125.02282	1.3
129.01878	0.9
131.03497	1.7
131.04539	2.4
137.02322	0.9
143.03394	2.3
151.03897	1.1
155.04495	1.3
159.02911	3.4
161.04468	36.6
162.04855	1.3
173.04440	1.4
191.05498	6.8
205.03453	1.9
207.23668	0.8
269.10251	4.7
286.16727	1.4
383.18353	1.3
399.23840	0.8
401.14560	28.3
401.19061	1.8
402.14874	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	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46992	2.9
59.01251	25.9
61.98708	15.5
69.53604	5.7
69.54019	13.3
70.68751	2.6
71.01249	27.6
72.24762	3.2
72.99196	4.3
73.02799	7.2
74.64323	2.1
74.98975	2.5
75.00755	3.5
76.71523	2.4
82.47897	2.1
85.02822	28.8
87.00754	91.4
89.02310	20.7
98.19854	5.1
101.02322	15.5
107.24052	2.2
109.02817	4.2
113.02333	8.8
119.03391	8.9
131.03387	5.2
135.04362	3.5
138.03096	2.2
149.02321	6.4
151.00287	4.9
152.01089	2.5
153.05461	2.6
161.02376	8.1
163.03925	6.8
164.04706	19.7
165.05458	8.3
166.02582	12.5
176.04729	7.0
177.01848	3.7
177.05463	3.3
178.06248	5.2
179.03482	16.7
179.05530	5.7
179.07027	45.2
181.04996	20.3
187.03918	3.2
191.01863	3.8
191.03407	8.4
191.05534	10.9
191.07060	3.5
192.04272	4.0
193.04987	8.6
194.05780	13.5
203.03418	3.2
205.04959	5.3
207.02890	4.3
209.02924	9.9
209.08159	24.6
218.01945	2.6
219.02950	2.6
221.04420	2.6
235.05966	3.8
237.07663	5.6
239.05479	2.5
239.10309	2.6
261.07816	3.6
262.04709	3.7
265.07150	100.0
266.07578	5.6
277.07224	5.4
295.08127	15.0
325.09296	21.4
341.10840	20.1
355.10269	4.2
383.09991	2.9
401.10916	99.8
402.11301	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	13.5
57.57621	8.9
59.01246	24.1
64.94500	10.7
67.98161	10.3
70.91566	27.1
71.01254	22.9
85.02821	100.0
89.02320	12.0
102.16150	9.8
103.00230	9.5
123.95911	8.6
131.79884	10.1
191.01913	30.0
191.05522	14.7
209.02951	23.1
341.10919	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22484	1.0
55.01756	3.4
56.45283	1.1
57.03336	6.1
58.00468	2.6
59.01251	64.9
69.73264	1.1
71.01254	60.0
71.58741	1.8
72.35876	1.2
72.99183	3.9
73.02818	15.9
75.00764	3.8
83.01254	11.5
85.02823	35.8
87.00767	1.9
89.02315	21.1
93.03334	1.1
95.01256	3.6
96.36311	1.2
96.95886	3.6
99.00768	7.6
100.48069	1.1
101.02326	49.9
107.28806	1.3
111.00781	5.2
113.02337	25.0
113.03078	2.3
119.03389	9.5
121.02851	9.2
125.02342	2.3
129.01814	7.9
131.03397	1.2
133.41478	1.2
134.03638	8.7
139.07582	1.5
143.03416	4.6
149.05980	1.6
159.02914	3.1
160.08905	3.8
161.04466	35.1
165.01929	1.4
173.00829	3.7
175.11235	5.0
191.01959	3.7
191.05591	2.9
193.04968	7.3
205.03441	4.4
219.10170	5.8
223.04494	4.5
237.07710	1.5
251.11343	100.0
252.11636	4.7
261.07721	1.2
279.08655	1.6
298.11511	1.3
321.38934	1.2
399.12689	3.7
399.16809	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67094	0.7
58.09785	0.8
59.01253	100.0
71.01270	2.1
71.93272	0.8
73.02821	1.3
85.02827	5.9
87.00790	0.9
87.16776	0.7
88.69539	0.7
93.03341	0.9
96.95901	2.5
97.02870	0.9
98.95457	0.8
101.02335	0.9
101.22344	0.8
109.24940	0.7
111.00739	1.2
125.02352	0.9
129.01883	1.6
163.17729	0.7
182.33858	0.7
191.05574	4.0
223.04636	1.1
228.68915	0.7
246.76443	0.7
281.10260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2906
Annotation	DHEA ENANTHATE
Peak:m/z	Relative Intensity
59.01256	0.3
64.34636	0.2
65.88653	0.2
71.35867	0.6
78.10728	0.3
81.61426	0.2
85.06460	1.5
88.95348	0.2
91.47262	0.3
97.06467	0.5
134.49098	0.2
134.80963	0.2
141.84962	0.2
305.39142	0.2
325.25372	0.3
339.19708	0.3
339.27283	0.3
396.81934	0.3
399.29044	100.0
400.29401	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	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01269	1.2
55.01752	4.3
57.03088	1.4
57.03326	19.0
59.01244	3.9
69.49592	9.0
71.01257	9.2
72.99177	2.6
73.02818	2.2
75.00756	2.6
83.01258	12.2
83.36327	1.2
84.02017	2.0
85.02825	100.0
86.03145	2.2
87.00746	2.7
98.20584	2.6
101.02303	8.3
111.00763	35.2
111.57717	1.2
127.95211	1.2
129.01830	29.3
132.96309	1.2
134.03636	13.5
147.02892	2.1
161.04437	2.5
175.03973	1.4
187.02426	1.6
189.46109	1.2
193.04987	3.9
205.03485	25.6
223.04555	59.5
224.04819	1.9
322.18198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75528	1.2
55.01752	2.8
55.09492	1.3
57.03080	1.5
57.03322	15.2
59.01242	8.1
62.72415	1.3
69.29600	15.3
71.01260	9.6
72.99171	1.9
75.00748	3.3
83.01244	7.7
84.02032	1.4
85.02824	84.7
87.00761	2.8
101.02328	5.9
102.63053	1.5
106.04987	1.5
110.99989	1.4
111.00766	28.4
123.04360	1.5
129.01834	27.3
130.02057	1.5
134.03638	14.1
147.02829	2.7
161.04443	1.8
186.11295	1.5
193.04996	6.8
195.06543	11.6
205.03476	29.2
206.03929	2.4
223.04549	100.0
224.04767	4.1
315.84515	1.4
402.14380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11159	2.0
52.88823	1.8
55.01752	7.3
57.03329	25.9
59.01250	2.6
67.01763	2.5
68.11150	2.1
70.71423	6.4
71.01258	10.5
72.99158	2.3
74.30915	1.9
75.00761	2.5
83.01255	11.5
85.02821	100.0
101.02319	3.2
111.00777	22.3
129.01822	30.3
134.03618	20.2
137.02167	2.4
164.12785	2.0
174.10402	2.6
180.77716	2.0
193.04974	8.0
205.03508	16.1
223.04428	11.3
294.18289	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.0
55.63837	0.8
57.03332	4.9
58.00470	2.5
59.01254	52.4
64.26907	0.8
64.67921	1.2
71.01256	58.5
72.99186	3.1
73.02827	14.1
75.00733	1.4
83.01257	10.8
85.02827	29.2
87.00768	3.4
89.02323	23.1
89.05933	1.1
95.01254	4.4
96.95883	3.0
97.02860	0.9
99.00755	6.8
101.02325	49.5
108.91673	0.9
111.00739	3.6
113.02338	22.2
119.03419	7.9
121.02854	10.0
125.02362	1.4
129.01816	3.7
134.03612	4.0
143.03421	3.0
159.02896	5.8
160.08850	4.1
161.04474	34.2
165.01779	1.5
173.00829	1.8
175.11183	4.4
179.05554	1.4
191.01955	1.8
191.05588	2.5
193.05005	3.1
205.03488	2.6
211.97568	1.0
219.10284	6.2
223.04587	2.7
251.11345	100.0
252.11659	5.4
295.10303	1.2
338.23419	1.1
399.12772	3.6
399.16751	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	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.5
57.03326	18.2
59.01250	0.9
62.33680	0.5
67.01765	1.0
69.82314	2.7
71.01258	4.5
72.99169	0.8
73.02823	2.1
75.00758	1.2
83.01263	7.7
84.02042	1.9
85.02826	100.0
86.03168	1.7
87.00748	0.9
92.58897	0.5
101.02325	4.3
111.00764	24.7
112.01130	0.6
117.03320	1.5
129.01839	43.8
130.02170	1.6
134.03647	8.7
161.04472	3.0
175.03986	0.6
177.04039	0.6
179.05603	0.8
187.02431	1.9
191.69897	0.6
193.05016	7.5
200.23753	0.5
205.03491	25.2
206.03806	0.8
208.40886	0.5
223.04549	23.2
224.04880	1.3
273.36020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1864
Annotation	Fukanefurochromone B
Peak:m/z	Relative Intensity
59.01236	3.2
69.31082	12.6
69.31491	3.2
71.01255	2.2
80.02549	2.7
83.01239	2.1
84.23328	1.4
93.03323	2.2
93.06966	11.4
95.04904	23.4
110.25748	1.5
111.08007	7.8
115.63705	1.4
119.08440	1.6
121.02846	3.4
124.01561	1.7
125.02316	3.5
132.67722	2.0
135.08096	7.4
137.02325	7.5
137.06000	8.5
172.05286	1.6
179.07068	97.5
180.07405	4.5
215.10760	2.8
231.06625	1.6
257.15500	2.8
283.06201	2.8
284.42068	1.5
395.18661	100.0
396.19077	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	398.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.5
63.93420	0.8
63.96113	53.6
65.08382	0.6
69.36911	7.7
69.40410	0.7
71.01247	1.0
73.02791	1.0
78.98466	100.0
85.02840	3.2
90.58686	0.7
92.97890	0.7
98.04261	0.6
121.02862	0.9
134.02527	0.7
134.03603	1.3
137.02319	1.0
147.47850	0.7
164.25169	0.7
164.38538	0.6
164.87041	0.8
173.04503	1.2
196.03754	0.8
196.82907	0.7
201.14972	1.2
384.08475	1.5
399.11127	2.2
399.23831	1.1
403.26904	0.8
409.83841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80550	1.9
55.01750	5.0
57.03325	8.1
57.94293	1.3
59.01251	100.0
71.01254	55.1
71.57873	2.6
72.99173	7.0
73.02821	8.3
74.61800	1.3
75.00761	3.2
81.03320	1.7
83.01261	16.7
84.02027	2.3
85.02824	79.6
86.03137	1.9
87.00761	4.5
89.02322	13.5
89.03838	2.2
90.41853	1.4
92.49483	1.6
93.03328	1.4
94.77240	1.5
95.01265	2.4
96.95889	3.1
97.02797	1.6
99.00755	6.0
101.02321	27.4
103.00280	1.9
109.98284	1.5
111.00761	10.6
113.02324	14.3
115.00217	4.0
117.03363	5.7
119.03385	4.2
121.02851	4.6
125.02373	1.7
129.01823	22.0
132.02037	1.7
132.58434	1.6
133.01355	2.6
134.03630	55.7
135.04251	2.1
137.02354	2.6
143.03426	10.3
147.02890	7.3
149.05963	7.3
159.02890	2.9
160.01555	6.4
161.02350	2.0
161.04460	18.5
162.03041	1.9
173.00813	6.6
175.03905	11.4
178.02625	3.0
183.27524	1.7
187.02391	2.2
191.01932	23.5
191.05492	5.4
191.07140	1.5
193.04993	54.5
194.05360	1.9
205.03458	4.3
223.04533	26.8
251.11351	55.3
252.11681	2.2
261.07602	15.6
262.08014	1.8
367.06757	4.9
387.12744	1.5
387.56259	1.4
399.08548	1.6
399.12851	2.8
399.17142	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
59.01231	0.4
60.34278	0.4
65.03825	0.7
69.30076	5.3
79.05401	0.5
81.03330	3.4
83.01271	1.0
86.16816	0.5
93.03336	0.9
107.04937	0.5
108.02041	1.1
109.02850	3.5
115.05412	0.7
121.02847	16.9
122.03666	0.9
123.04404	2.3
131.04924	0.8
133.02869	0.8
133.06497	1.4
135.04408	1.3
143.04895	0.5
146.03659	0.5
147.04327	0.6
149.05983	1.0
152.99026	0.4
157.02855	0.7
157.06514	4.0
159.04420	5.6
160.05017	0.8
171.04445	4.7
171.08093	0.4
172.05203	1.9
173.05998	6.3
173.09676	0.7
174.06635	1.1
175.07520	1.4
180.05836	0.7
181.06541	1.5
183.04445	2.7
183.08121	0.5
185.02405	1.1
185.06024	0.8
186.06786	1.3
187.07545	1.2
188.08136	0.6
189.05380	0.6
193.06528	0.9
194.07260	1.0
195.08133	0.6
196.05238	1.3
197.05997	3.7
198.06770	0.9
199.03922	1.2
199.07535	2.9
200.08282	0.7
201.05498	3.9
209.06160	0.5
211.07613	7.4
212.04807	0.5
212.08356	2.0
213.05573	3.1
213.09152	3.2
214.06201	1.3
215.10693	3.5
223.07581	1.5
224.04778	0.5
225.05525	3.6
226.05965	0.5
227.03450	0.7
227.07120	0.7
237.05557	0.7
237.09196	1.2
238.06343	2.0
239.07069	2.0
240.04237	0.9
241.05032	14.0
242.05592	2.0
243.06677	2.3
249.05516	1.2
251.10744	2.0
252.11478	1.1
253.05157	1.0
253.08694	0.7
253.11920	0.5
255.06609	38.3
255.13866	1.4
256.07086	4.5
267.06619	8.0
268.07126	1.3
270.05313	1.9
273.15024	1.2
274.53488	0.6
275.14380	0.9
278.09424	0.7
281.08368	0.8
295.09787	6.8
296.10522	1.7
310.15726	0.8
311.16354	2.9
327.19586	2.0
333.18610	4.0
337.14368	3.2
351.19678	3.3
352.19839	0.7
353.17618	1.5
377.17548	10.1
378.17764	1.0
395.18622	100.0
396.18954	12.9
397.53088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
60.42981	0.5
65.03823	0.9
67.01740	0.7
69.27422	3.2
69.27842	1.7
81.03342	1.5
83.01250	1.2
83.04900	0.5
84.79984	0.4
95.04906	0.8
96.95914	0.5
101.13554	0.4
108.02074	0.8
109.02829	4.2
121.02843	13.3
121.06500	0.9
122.03650	1.4
123.04411	0.9
133.02849	0.7
133.06487	1.8
135.04407	1.8
136.05315	0.5
140.84543	0.5
147.04405	1.1
148.05183	0.7
155.08565	0.5
156.05759	0.5
157.06494	5.1
158.03604	0.8
159.04420	6.1
160.04823	0.7
171.04422	1.9
172.05190	2.2
173.06000	4.6
175.07549	0.8
180.05730	0.6
181.06512	0.8
183.04427	2.3
185.02383	0.9
185.05968	1.1
185.09569	0.6
186.06787	1.2
187.07558	0.9
189.09177	0.8
193.06575	0.6
194.07292	0.8
196.05206	0.6
197.06009	2.8
199.07568	1.9
200.04617	0.8
201.05515	4.9
202.05772	0.6
202.09929	1.7
203.10692	5.7
209.05991	1.1
210.06886	0.7
211.07597	3.6
212.08241	1.3
213.05490	2.2
213.09196	1.0
214.06386	1.1
215.10756	1.2
223.07558	1.0
224.04823	0.8
225.05559	2.2
225.09180	0.8
227.03508	1.2
227.07159	1.4
228.07806	0.6
237.05615	0.7
237.09258	0.9
238.06314	2.0
239.07013	0.7
241.05025	15.0
241.12407	0.5
242.05688	2.2
250.06339	0.6
251.10847	0.7
253.05074	0.9
255.06602	14.7
255.13972	0.6
256.07095	2.0
257.15466	1.3
263.14410	1.1
265.58569	0.6
267.06616	1.7
270.05347	1.5
272.06128	0.5
273.15018	1.7
281.12344	0.5
281.15448	1.5
295.09769	1.1
307.13580	0.6
310.15823	1.1
311.16464	3.3
312.17001	0.6
325.14471	1.5
325.18018	0.7
327.19650	3.0
333.18521	2.9
335.16608	0.6
337.14438	0.6
351.19574	5.6
352.19901	1.0
353.17722	3.5
367.19040	0.9
377.17566	12.1
378.17883	1.6
395.18610	100.0
396.18961	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	395.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.8
61.98702	3.2
65.03830	0.9
67.01772	2.0
71.58347	0.4
71.58729	0.4
72.95504	0.3
81.03333	0.6
83.01259	2.9
89.03797	0.4
93.03338	1.0
96.95882	0.6
107.04946	0.7
108.02065	2.5
109.02847	5.3
115.05414	0.4
121.02843	16.9
122.03630	0.5
123.04424	1.3
129.06999	0.8
130.04128	0.4
133.02856	0.9
133.06493	0.9
135.04422	2.0
137.02328	0.4
141.07071	0.5
143.04970	0.7
145.02838	0.9
145.06544	0.5
147.04439	3.6
148.01591	2.8
149.02351	4.2
149.06023	0.4
150.03085	0.5
151.47241	0.4
157.02890	0.5
157.06529	4.9
158.03612	0.9
159.04405	4.5
161.02354	1.4
161.05905	0.4
163.03912	0.9
169.06558	0.9
171.04443	3.0
172.05182	0.8
173.05998	6.6
175.03923	1.5
175.07549	2.5
179.08586	0.4
181.10136	0.6
183.04422	1.4
183.08098	1.4
184.05238	0.7
185.05988	3.2
186.06862	0.7
187.03885	0.8
187.07567	1.0
188.04626	0.8
189.03928	0.4
189.05470	2.4
189.09155	0.5
196.05159	0.7
197.06047	0.9
199.03929	1.0
199.07574	1.5
201.05492	4.3
201.09192	1.4
202.06108	0.4
203.07059	1.2
203.66695	0.4
207.08081	1.4
209.05940	2.2
210.06790	0.8
211.07616	3.9
212.04723	0.6
212.08080	0.8
213.05522	3.8
213.09119	0.8
215.03528	0.8
215.07022	0.5
216.04219	0.4
217.05020	5.0
218.05592	0.4
223.07579	1.2
223.09509	0.5
225.05579	1.5
225.09148	5.4
226.06178	0.8
227.07071	4.0
229.05017	0.5
237.05569	1.7
238.06287	0.6
239.07106	0.9
240.04288	0.5
241.05025	2.6
241.08656	0.5
245.15431	2.7
249.09190	0.7
251.07141	2.8
253.05037	0.9
255.06613	18.2
255.13898	1.3
256.06903	2.1
257.08112	0.6
258.05240	0.4
263.10886	0.7
267.06659	1.6
268.07248	0.7
269.08197	12.5
270.08542	1.0
271.06046	0.4
272.06882	0.5
273.14987	3.4
285.15125	0.5
293.08319	0.9
293.15518	0.6
307.09799	2.3
308.10507	1.0
309.18604	0.6
311.16461	2.2
315.17514	0.5
333.18723	1.5
335.16504	0.7
351.19550	0.6
353.17627	0.8
359.16394	0.4
361.14108	0.4
367.19083	1.1
377.17557	9.4
378.17841	0.7
395.18619	100.0
396.19000	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	395.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10201	0.7
55.01759	1.0
59.01252	1.4
61.98700	5.6
65.03815	1.0
66.85598	0.6
67.01766	0.6
67.37758	0.6
72.99473	0.6
77.03844	2.1
86.80447	0.6
93.03365	1.9
94.86071	0.7
97.02822	1.0
103.46965	0.7
107.04919	2.5
108.02077	2.0
109.02847	6.5
110.31179	0.6
115.05392	1.2
119.04923	1.4
121.02849	21.9
123.04396	1.6
125.13227	0.6
129.06984	3.4
133.02884	1.1
133.06456	1.0
134.05988	0.7
135.04417	16.5
136.04874	0.9
137.02353	0.9
143.08597	0.7
147.04439	2.6
148.01605	1.2
149.02365	3.0
149.05943	0.9
156.05724	1.0
157.02844	1.1
157.06506	5.2
158.03661	1.0
159.04420	5.7
161.02394	0.8
169.10126	2.7
170.07341	0.8
171.04549	0.9
171.08060	7.4
172.05217	2.6
173.06006	15.2
174.06419	0.9
175.03928	1.3
175.07512	3.9
183.04460	2.8
185.02396	2.8
185.09636	1.1
187.03917	0.7
187.07620	3.1
189.05519	1.3
189.09128	16.6
195.08080	11.9
196.08519	0.7
197.06026	2.5
198.06776	2.4
199.03877	1.5
200.04698	1.4
201.05487	4.9
211.07614	2.3
213.09161	31.4
214.06268	0.7
214.09489	1.9
215.07080	16.6
217.05017	2.1
224.04712	1.3
229.08641	2.3
239.07097	20.2
240.07410	1.5
241.05003	3.3
241.08685	1.3
242.05780	1.0
245.15475	1.4
251.06934	0.9
255.06636	6.2
256.06998	0.7
257.08179	100.0
258.08511	6.8
267.06592	1.5
276.12344	0.9
293.08377	0.8
307.09824	1.2
309.18655	0.9
309.36407	0.7
311.16537	1.4
315.17462	0.7
351.19751	0.7
377.17572	22.5
378.17917	2.8
395.18588	32.7
396.18906	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.5
55.44334	1.3
57.03317	2.1
59.01250	100.0
60.77138	1.6
68.46530	1.4
69.80678	4.7
69.81116	5.1
71.01251	29.1
72.21097	1.3
72.47298	1.3
72.99139	1.7
73.02436	2.5
73.02816	25.2
73.97208	1.3
74.16923	1.5
83.01263	7.3
85.02833	12.8
87.00739	2.0
89.02306	7.1
90.55008	1.4
97.02821	1.6
99.00758	7.0
101.02321	33.2
113.02322	11.9
114.42394	1.4
130.30330	1.4
131.03389	3.3
144.28166	1.5
154.26837	1.4
159.02861	2.9
161.04465	14.0
191.05515	4.1
198.34734	1.6
203.09258	2.2
221.10263	55.4
222.10423	2.1
263.11313	4.2
353.14526	50.8
354.14807	3.8
365.58215	1.8
395.15488	42.4
396.15851	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	395.1864
Annotation	(-)-2'beta-{(E)-3-Hydroxy-3-methylbut-1-enyl}-2'-deoxybruceol
Peak:m/z	Relative Intensity
51.29902	1.1
57.05903	0.9
59.01247	1.3
61.98703	12.1
65.00188	1.8
71.54267	2.1
83.01249	3.7
93.03324	1.7
94.38750	0.9
101.43609	0.8
107.04888	1.2
109.02856	2.1
121.02824	1.8
122.36618	1.0
125.02319	2.5
129.06960	3.3
130.04166	1.7
131.04924	6.3
133.02844	2.8
135.04468	1.1
137.02347	9.8
143.04922	1.4
146.03670	2.5
147.04430	2.2
148.05197	3.2
149.02321	1.3
149.05931	1.7
159.04401	2.4
161.05995	3.4
171.04462	1.1
171.08028	6.2
172.05219	2.7
173.05965	12.2
174.03151	3.3
175.03912	2.6
175.07277	0.9
177.12720	2.7
185.06015	7.6
187.03984	6.1
188.04698	6.0
188.08347	2.1
189.05409	2.2
190.06291	1.2
190.64084	1.0
195.91389	0.9
196.05226	4.4
197.05977	7.2
197.09618	1.2
198.06599	1.2
199.03951	3.8
201.01845	2.2
203.07025	1.3
205.59061	1.0
213.05496	4.1
214.06241	1.8
216.04147	1.1
225.09209	2.3
227.07082	4.9
229.05038	3.8
230.05589	1.0
239.07298	1.6
239.10684	2.9
240.04205	3.2
241.04985	2.8
253.05006	3.0
258.05243	3.3
263.67456	1.0
267.10168	1.2
267.17368	1.2
267.71457	1.0
269.08337	1.1
271.06143	10.9
272.06638	1.3
281.11713	1.0
283.06244	6.1
284.75418	1.1
285.18570	13.7
307.09900	1.1
307.20792	2.5
309.18604	12.5
310.18851	1.6
311.16583	9.2
313.23737	5.4
327.19516	5.0
333.18634	14.8
334.18951	1.0
344.62473	1.0
351.19644	21.7
352.19821	2.1
353.17520	4.7
377.17523	18.2
378.18018	2.1
395.18607	100.0
396.18933	11.9
416.26038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1247
Annotation	Chlorphonium chloride
Peak:m/z	Relative Intensity
50.98156	1.7
53.13903	1.6
55.39084	1.5
66.84480	1.6
66.94013	1.5
71.19021	4.1
91.57705	1.7
92.04913	1.6
106.46249	1.6
131.03683	18.9
132.04454	17.2
134.03633	98.9
135.04218	2.9
142.10178	1.7
144.04503	2.8
145.04001	4.5
146.06032	2.9
148.05176	3.8
149.05992	70.8
149.07191	3.4
150.06300	1.9
157.05237	1.8
157.07637	2.2
158.06017	8.9
160.01553	1.9
173.51640	2.3
175.03914	7.8
177.04219	1.8
192.06606	21.3
193.05042	1.7
201.06654	11.3
203.05869	4.0
204.06546	2.0
218.08160	4.7
219.07718	6.2
237.62019	1.6
262.07150	2.3
280.09778	4.0
289.09692	3.1
323.10339	3.7
333.12427	6.3
341.82687	1.6
351.13556	2.9
395.12445	100.0
396.12839	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	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.6
57.03310	3.4
58.00460	1.8
59.01251	100.0
69.93804	3.3
69.94225	5.1
71.01252	35.1
72.99193	1.9
73.02823	28.4
83.01254	5.9
85.02827	16.6
87.00781	2.5
89.02307	7.1
92.75214	1.4
93.03323	3.1
99.00772	11.7
101.02329	29.3
113.02326	15.3
119.03384	1.9
131.03381	2.5
133.58168	1.3
135.04398	5.2
142.00020	1.4
143.03383	1.9
159.02887	2.8
160.03874	1.5
161.02376	1.8
161.04468	12.0
173.04489	8.5
175.02426	1.4
178.05002	11.5
191.05544	4.9
204.02887	2.4
206.84584	1.4
221.10257	49.6
222.04010	9.4
222.10591	2.2
226.66647	1.4
263.11343	4.2
335.13507	1.5
335.18350	2.2
353.14508	46.3
354.14774	4.4
357.68784	1.4
384.52826	1.5
395.15576	37.0
396.15909	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.0
69.52488	4.5
69.52910	2.4
72.00764	2.0
74.02344	4.9
85.81292	1.0
86.02350	16.9
92.04917	4.1
100.00279	2.5
112.00288	18.7
116.04952	1.5
118.02896	1.1
131.03661	6.4
132.02081	3.2
132.04451	22.0
134.03633	42.9
135.04338	2.8
144.04454	17.3
145.03986	3.8
146.05981	1.1
149.05986	31.5
150.06296	1.4
157.07629	32.9
158.06041	6.0
158.07973	1.7
160.01566	23.0
160.02832	1.4
160.03763	1.0
161.02277	1.9
162.01889	0.9
172.02708	1.9
173.03500	2.5
173.07115	1.7
175.03928	70.7
175.08699	2.2
176.04277	3.0
183.05573	5.0
192.06548	4.2
193.05099	1.1
201.06671	9.4
202.04973	1.7
203.05824	5.2
211.06395	0.9
218.08202	5.3
219.07706	79.6
220.08003	6.5
223.06303	1.0
237.07716	1.2
239.05765	6.7
244.05954	0.9
245.05589	5.8
250.05106	0.9
254.08212	3.9
262.07190	4.1
263.08334	1.7
264.06604	12.5
265.07513	6.0
266.07019	2.1
280.09821	11.3
281.09387	2.6
323.10318	7.2
333.12292	1.6
336.11127	1.2
338.01599	1.0
351.13391	4.4
373.25967	1.0
377.11398	4.7
395.12476	100.0
396.12732	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06050	25.8
64.27934	27.2
70.15295	60.6
70.15711	100.0
73.33536	27.4
75.95420	27.7
82.44700	27.6
84.82144	28.2
94.18250	28.9
145.73448	33.0
164.28337	31.6
211.27403	29.5
401.32742	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	395.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03566	1.1
68.71236	1.0
71.09135	1.0
71.39017	2.1
74.02347	9.5
74.04548	1.0
74.07024	1.1
86.02355	15.7
92.04935	3.8
100.00289	1.5
112.00311	11.8
130.06503	3.0
131.03661	11.7
132.02071	9.2
132.04462	23.2
134.03635	62.5
135.04045	1.7
144.04468	18.1
146.04868	2.2
146.05998	1.8
149.05989	31.2
157.07632	100.0
158.06041	7.7
158.07961	4.1
160.01581	51.8
161.02010	1.8
173.07195	1.4
175.03938	72.2
175.08710	4.8
175.66319	1.1
176.04359	2.7
177.04196	2.0
192.06662	2.9
201.06668	9.1
202.05022	2.3
203.05836	3.5
204.06393	1.4
218.08241	4.2
219.07706	88.0
220.08073	5.4
244.06384	1.3
245.05638	3.1
262.07300	1.6
289.09982	1.4
333.12811	1.2
333.31082	1.1
336.11249	1.4
351.13477	2.2
377.11444	2.9
395.12497	29.6
396.12704	4.2
407.79068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	13.6
64.13358	1.6
70.91714	4.0
71.01271	8.0
71.01947	1.1
73.02827	3.9
76.46223	1.3
79.06412	1.3
83.01294	1.7
85.02822	2.9
86.81090	1.6
89.02312	1.6
96.95885	3.5
101.02332	6.1
109.02816	1.7
112.00300	1.4
113.02312	2.4
131.03687	1.8
132.04498	1.7
134.02515	2.8
134.03627	14.8
135.04367	1.3
137.49841	1.3
138.52409	1.4
144.04459	1.5
145.03963	4.1
147.05533	1.9
149.06010	17.6
150.06305	1.5
151.03877	1.6
157.07625	3.1
160.01567	5.4
161.04491	4.5
167.11731	1.8
172.02669	3.5
173.03488	7.6
175.03918	13.6
183.05598	1.7
192.06584	13.3
193.05235	1.6
199.93439	1.3
219.07645	6.9
220.07809	1.6
237.07921	2.2
239.05885	8.1
254.08162	7.4
263.08398	2.1
263.15063	7.6
264.06586	9.5
265.07416	8.4
266.07376	1.5
280.09763	9.1
281.09644	3.4
311.71201	1.6
323.10345	40.5
324.10757	4.8
395.12515	100.0
395.19083	4.8
396.12830	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	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33193	1.0
57.03322	1.4
59.01253	23.5
61.98709	6.5
69.03342	1.1
70.70372	3.3
80.24184	1.0
97.02823	1.2
97.06422	1.0
99.08034	1.9
99.92475	2.8
113.09602	3.3
125.09624	1.1
129.09120	2.8
139.11182	10.4
147.11726	4.8
149.09613	1.1
151.11208	1.6
163.11256	1.2
165.12775	4.9
167.10753	1.3
167.14369	1.3
169.12320	2.0
171.10185	9.9
181.12236	3.1
183.13870	1.3
185.11792	1.6
193.08406	13.4
193.12251	3.1
197.11751	9.0
199.13350	3.2
209.11794	1.3
211.13324	12.7
215.10532	7.7
219.09946	1.3
233.11562	71.4
234.11830	5.1
249.13332	2.1
249.22244	2.1
251.11389	4.5
265.21564	1.4
275.20142	1.6
293.12524	9.8
293.21249	15.7
294.21411	1.8
311.22278	100.0
312.22662	10.4
315.19522	3.1
323.05753	1.1
333.20377	4.8
393.22397	10.1
394.21985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.9
59.01252	20.2
61.98697	3.3
63.54923	0.7
65.03864	0.8
69.03326	1.0
69.37637	8.4
83.04881	0.7
96.05888	0.8
97.02830	2.0
97.06454	1.6
99.08036	2.1
99.92451	2.1
113.09597	5.1
121.10120	2.3
125.09576	2.5
127.11168	2.4
137.09592	2.2
139.11188	31.9
140.11497	1.0
155.10657	1.9
163.11185	0.9
165.12790	4.0
171.10182	33.8
172.10480	1.8
177.09065	1.1
179.10504	1.8
183.10193	0.8
185.11693	3.4
193.08415	11.4
193.12175	1.0
197.11819	1.5
201.11325	2.8
207.09976	37.8
208.10353	1.5
211.13339	2.1
215.10481	3.6
217.00247	1.0
219.09956	1.6
223.09494	1.4
223.11642	0.9
225.09764	2.7
233.11559	23.8
234.11971	1.8
251.11261	1.8
253.09221	1.1
267.10849	1.8
275.20178	1.6
282.61810	0.9
291.19400	1.0
293.12292	1.5
293.21243	16.6
294.21518	1.5
311.22278	100.0
312.22620	9.4
315.19290	3.3
333.20490	14.4
334.20557	1.2
377.19272	3.3
393.21811	12.5
394.21884	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07388	1.3
53.48994	1.4
59.01261	9.0
60.25839	1.5
70.33778	5.7
93.03343	2.7
97.02866	2.1
99.92488	1.5
102.04220	1.2
102.95846	1.2
108.02045	1.5
111.04428	1.5
113.09657	1.5
115.46024	1.3
119.08625	1.3
121.02861	1.7
130.62291	1.2
139.11183	1.4
153.31294	1.4
154.09869	3.7
155.10582	2.0
163.07555	17.5
177.12772	3.2
195.13814	3.0
219.83714	1.2
229.40842	1.2
233.11594	3.8
237.22244	1.4
247.20702	1.4
249.22188	3.5
255.06616	5.1
258.12366	2.6
262.11795	8.6
293.21246	61.4
294.21530	3.9
305.19943	4.4
307.21213	1.4
311.22278	80.2
312.22662	7.9
315.19498	10.0
333.20428	100.0
334.20789	8.7
352.52972	1.4
383.47107	1.4
393.20807	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01563	1.1
67.68112	0.7
71.58692	1.4
99.87118	0.7
115.56027	0.8
178.27299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01249	1.6
71.58905	1.5
71.59303	1.3
71.95918	1.2
184.57022	1.1
233.95428	1.1
296.67981	1.1
393.17957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.79463	19.7
71.01260	13.8
73.02835	4.8
76.24456	3.2
83.01289	3.8
83.04930	3.7
87.04390	9.8
89.02287	3.0
101.02334	7.7
104.78210	3.3
110.47887	2.6
117.11777	3.1
209.11781	79.8
210.12096	5.9
392.27490	3.8
393.27969	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.5
59.01250	16.6
63.96656	1.1
65.16497	1.2
70.09904	4.4
70.10332	1.9
85.30072	1.1
99.61903	1.1
99.92446	3.5
109.02818	1.5
113.09682	2.8
125.09613	1.7
127.11185	3.9
129.09096	2.5
139.11186	20.0
155.10748	1.9
165.12758	2.6
171.10178	32.6
179.10571	2.1
181.12238	2.0
183.10123	2.5
185.11761	5.3
193.08400	11.8
197.11766	3.1
198.67688	1.3
199.13333	1.6
201.11276	4.3
207.09962	19.8
210.06856	2.1
211.07645	2.8
211.13402	4.6
219.09970	7.1
223.11832	1.4
225.09837	1.2
233.11565	15.8
249.13551	1.7
251.11362	2.4
253.09383	2.2
255.06592	17.7
267.06549	1.7
267.10876	1.3
275.20142	3.7
293.12506	2.2
293.21240	7.5
298.74030	1.2
311.22275	100.0
312.22632	9.3
315.19421	26.6
316.19635	1.3
333.20425	21.9
334.20892	1.5
375.16144	3.1
377.19476	3.8
393.16916	3.3
393.21497	12.6
394.08231	1.3
394.21408	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	393.2074
Annotation	Kazinol A
Peak:m/z	Relative Intensity
57.03363	0.4
58.91356	0.5
59.01242	1.1
59.68158	0.5
61.73742	0.6
68.99677	3.2
69.88611	3.4
70.24429	0.5
79.05386	0.9
83.01261	0.8
93.03337	1.6
95.04982	0.5
98.19889	0.7
99.00766	9.1
107.04900	2.0
109.02842	0.9
110.98435	0.7
117.03315	0.7
119.04916	1.0
121.02839	3.8
128.23122	0.5
135.04482	1.1
145.02840	2.4
147.04553	0.8
149.05917	0.7
157.06516	3.7
159.04433	2.8
167.24435	0.5
169.06558	1.5
171.04419	0.6
172.05148	1.1
173.06000	1.8
175.07561	1.6
177.12756	3.1
180.05739	1.1
181.06517	6.4
183.04468	10.3
184.04848	1.0
185.02261	0.8
187.07579	2.9
189.05486	0.6
193.06531	2.4
194.07298	1.4
195.08063	3.5
196.05226	0.8
197.06035	1.3
201.05508	3.7
207.08112	0.9
209.06059	2.5
210.06729	1.5
211.07538	1.0
213.05424	2.5
215.07100	1.3
223.07567	0.8
223.11229	0.9
224.04700	1.3
224.08446	0.8
225.05540	1.6
225.09177	1.7
226.06319	1.3
227.06972	1.1
233.09731	1.0
237.05580	4.1
238.06146	1.1
239.07123	1.2
241.05113	2.0
241.12325	1.3
245.15346	1.0
247.11267	2.8
249.05519	1.5
249.09100	0.9
250.06245	0.7
251.07062	0.8
253.05013	2.0
254.05823	4.3
255.06607	6.7
256.07291	2.0
257.08136	0.8
257.15332	1.1
265.04959	1.4
265.12323	2.2
266.05783	1.2
267.06656	3.8
267.10223	1.8
269.08234	12.0
269.15472	0.7
270.08682	1.5
281.08264	2.0
281.11469	0.6
291.10400	1.2
295.09659	0.6
307.09503	0.5
309.11353	19.9
310.11688	2.1
315.17737	0.6
317.19104	18.7
318.19382	2.6
323.12875	0.9
343.63593	0.6
361.18167	2.9
362.18439	0.8
377.17560	3.6
378.17798	0.6
393.20724	100.0
394.21057	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.5
57.03317	2.9
58.00471	1.3
59.01249	36.5
64.74122	0.5
69.03329	1.0
71.01253	42.3
71.35071	1.0
71.35403	0.8
71.46613	0.5
72.01597	1.0
72.99184	2.3
73.02820	24.9
75.00751	1.8
77.66640	0.6
77.78104	0.7
83.01262	8.6
85.02819	24.1
85.99955	1.0
86.03149	0.7
87.00748	2.7
88.10906	0.6
89.02318	5.9
95.01247	3.0
97.02828	1.9
97.06479	0.8
99.00757	11.3
101.02322	41.3
111.00748	0.9
112.01541	1.1
113.02325	19.2
114.02685	0.9
124.89447	0.7
125.02346	1.2
129.01804	1.6
131.03398	1.1
135.15453	0.6
139.00256	0.7
139.46353	0.7
143.03360	2.2
150.59393	0.5
150.79024	0.6
159.02914	4.2
161.04463	18.0
162.04886	0.7
191.05528	2.0
195.10275	0.8
199.06082	0.6
205.03464	1.2
225.28398	0.6
259.42929	0.6
261.13422	63.7
262.13846	5.4
311.56857	0.7
393.17654	100.0
394.17999	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	393.2073
Annotation	Kazinol A
Peak:m/z	Relative Intensity
57.91034	0.9
59.01252	3.0
61.98703	6.3
65.03831	4.6
67.01760	2.7
69.51521	6.0
69.51929	3.0
79.91955	1.2
81.19569	1.0
93.03327	1.7
93.37635	0.9
95.93482	1.0
96.95848	1.6
97.93591	1.0
109.02840	21.0
109.03516	2.1
110.50970	1.1
121.02830	13.1
121.19147	1.2
122.03597	1.3
133.02834	1.7
135.04456	2.7
145.02827	1.9
159.04379	2.6
169.06540	1.2
171.09985	1.1
173.06013	3.3
181.68188	1.1
185.06100	2.7
186.06844	1.2
187.07518	5.1
193.06587	1.0
197.05997	2.1
199.07628	3.4
209.06079	2.3
211.03984	1.5
211.07648	3.2
212.04655	1.7
213.05531	3.6
215.83665	1.1
223.07600	4.7
225.05479	2.7
225.09077	1.3
227.07188	1.2
237.05583	1.2
240.04221	3.6
241.05046	5.9
241.39421	1.3
249.05638	1.1
253.05006	8.1
254.05811	4.6
255.06595	9.5
256.07330	5.5
265.05042	1.5
265.12332	1.4
266.05859	1.4
267.06616	19.3
268.07239	4.5
269.04727	1.2
269.08093	2.1
271.17270	1.5
281.08118	2.7
283.17032	3.2
307.09857	2.1
309.11243	9.6
349.21350	1.2
351.19879	2.0
377.17334	1.8
378.18500	2.7
385.77338	1.1
391.18991	1.5
393.20755	100.0
394.21060	14.0
402.04431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86829	0.4
54.90966	0.5
56.59177	0.4
56.70581	0.5
59.01229	1.2
69.48739	0.6
69.49146	3.6
69.55472	0.5
75.27476	0.4
88.57484	0.5
96.95905	1.0
102.19580	0.4
107.02095	0.5
121.02813	0.6
135.16040	0.4
137.02319	0.7
149.05949	1.0
157.02832	0.9
159.04338	0.6
163.03979	0.6
177.05437	0.8
178.06279	2.1
197.06038	1.1
199.03946	2.1
211.04063	0.6
212.04680	1.0
225.03865	0.4
225.05518	13.4
226.06297	16.5
227.06664	1.1
230.85204	0.5
240.04221	0.7
241.05038	3.2
253.05028	16.8
253.07677	0.8
254.05809	23.3
255.06206	1.9
258.05280	0.8
265.05060	10.5
266.05563	1.5
267.06613	0.8
286.04816	4.4
291.06628	2.2
292.07410	1.3
293.08188	1.3
294.08926	1.4
317.11935	0.7
335.12863	19.7
336.13248	1.6
336.91165	0.5
375.16043	3.6
393.17078	100.0
394.17438	11.7
394.22296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1706
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
57.03317	1.1
59.01244	3.0
61.98705	22.2
65.55143	0.7
69.03313	0.9
73.20172	0.7
83.01257	1.7
97.02834	3.5
98.20583	1.9
99.92448	1.7
109.02829	3.1
111.00734	1.1
119.04913	0.9
121.02814	4.0
124.01545	1.4
125.02321	2.9
137.02353	8.8
137.09575	1.1
137.57326	0.8
157.06404	1.3
158.87787	0.8
159.04414	3.5
171.10139	0.9
172.05196	1.9
173.05991	1.8
181.83481	0.8
183.04399	2.3
186.06757	1.9
188.04800	0.9
197.05965	2.3
199.07646	1.1
201.05490	2.2
201.08943	1.1
209.06134	0.8
210.65659	0.9
211.04196	0.9
211.07507	1.0
213.05554	0.9
223.07658	1.7
225.05479	4.0
227.03497	1.6
237.05426	1.2
239.07104	2.3
240.07657	1.1
241.04973	2.2
251.06952	0.9
255.06590	2.7
256.03790	1.1
267.06595	5.7
269.04584	4.0
270.05289	2.1
281.04654	1.9
283.17062	1.4
291.06641	2.4
305.07993	1.0
307.09857	1.0
309.07660	1.2
310.20953	1.1
311.21231	3.9
323.12732	2.9
375.15961	3.4
393.17053	100.0
394.17532	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	393.171
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
59.01245	2.4
61.98692	1.6
65.03821	0.7
69.69604	0.6
98.20571	1.4
105.10487	0.7
109.02808	2.3
115.04928	0.7
121.02858	1.2
159.04373	1.4
169.06503	0.8
173.02362	0.8
177.09094	0.7
197.06024	3.2
199.03963	1.2
211.03825	0.8
213.05469	1.9
215.03372	1.1
225.05559	3.6
227.03406	1.6
235.87640	0.7
237.05505	1.5
239.03305	1.2
241.05029	31.0
242.05437	2.9
256.03687	1.4
267.06577	0.9
269.04562	48.1
270.05154	6.8
281.04562	20.7
282.04953	2.6
295.06210	1.9
307.09784	1.3
309.07596	2.3
309.10962	1.1
323.09253	1.2
324.09875	1.4
349.17938	0.9
393.16949	100.0
394.17337	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51302	1.2
57.03316	2.1
58.00464	3.7
59.01252	100.0
60.78511	1.2
66.50293	1.2
69.24072	15.6
71.01254	61.7
72.99179	3.2
73.02819	22.8
75.00741	1.5
79.60916	1.3
83.01247	3.5
85.02831	19.1
87.00754	4.0
89.02314	71.3
90.02661	1.3
95.01271	5.5
96.95895	1.2
99.00758	74.2
101.02324	32.9
109.54234	1.2
113.02335	38.7
114.02670	1.2
117.32730	1.2
119.03392	20.4
120.03788	1.5
120.18673	1.2
131.03394	12.3
140.49495	1.3
143.03412	4.3
149.04453	31.3
154.75984	1.4
161.04466	20.2
164.69797	1.1
179.05482	9.3
191.05551	34.7
231.75253	1.2
233.06615	3.9
261.13535	2.9
351.20193	3.7
355.92917	1.4
393.17654	39.0
394.17795	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	393.1708
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
51.39449	0.2
54.49450	0.2
59.01242	0.7
67.01756	0.4
69.08761	0.3
71.59201	0.4
83.04889	0.8
91.01694	0.2
95.04897	0.6
96.95888	0.5
97.06455	0.3
103.82386	0.3
109.02805	0.3
121.02839	1.2
121.06512	0.4
123.08021	0.4
133.02899	0.4
135.04433	0.4
137.02330	2.1
157.02869	1.8
159.04401	0.5
196.05180	0.5
197.05980	0.9
199.03967	2.9
199.07532	0.3
201.05522	0.5
209.06013	0.7
210.06773	1.2
211.03961	0.5
211.07645	1.5
212.04724	1.4
223.07466	0.3
225.05531	9.8
226.06299	11.3
227.06711	0.7
240.04269	2.0
241.05023	5.0
242.05592	0.3
243.06609	0.6
249.09303	0.3
253.05032	9.0
254.05821	20.0
255.06505	5.0
258.05267	0.4
265.05084	2.2
266.05594	0.3
267.06607	1.8
286.04813	4.5
287.05136	0.3
293.08142	0.5
295.09656	0.5
307.09863	0.4
309.11310	1.2
321.11584	0.4
323.12851	8.9
324.13214	0.9
375.16058	1.0
393.17062	100.0
394.17410	11.8
394.21405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22446	0.6
59.01256	5.7
69.88256	0.6
71.01247	1.7
89.02310	1.0
96.69887	0.6
101.02299	1.3
108.02007	1.0
113.02283	1.1
126.78107	0.6
132.02007	0.6
132.04422	1.8
134.03609	0.6
139.22566	0.6
144.04430	1.8
146.02338	2.0
147.04451	1.4
160.03839	0.6
161.04671	2.9
163.03963	0.9
183.05580	1.3
184.02652	1.1
194.06049	1.2
202.05138	0.9
206.06050	1.7
207.06894	4.4
209.11879	0.8
211.05104	4.2
222.05855	0.8
223.06384	3.9
223.41914	0.7
234.05571	6.5
235.06326	14.6
236.06952	2.5
238.08679	1.5
246.05618	1.3
246.77481	0.7
247.06390	0.9
248.07080	1.2
250.05089	6.5
250.08711	1.9
251.05856	29.9
252.06166	2.6
262.05054	4.1
263.05881	5.6
264.06580	1.4
265.07455	1.6
266.08197	12.1
267.08554	0.9
278.08246	23.1
279.05344	7.5
279.08514	1.7
293.09329	2.4
294.07712	10.4
295.08026	0.8
321.08783	100.0
322.09082	9.1
334.09631	1.0
349.11942	1.9
392.27332	2.4
393.10919	51.4
393.27676	0.9
394.11209	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	393.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.01249	2.6
61.98692	1.2
66.96768	0.7
71.58511	1.0
88.55455	0.8
91.81007	0.7
96.31680	0.8
100.82566	0.7
109.02809	1.8
121.02837	4.5
121.95765	0.7
123.08057	1.8
131.07074	1.0
133.02870	1.0
134.09624	1.6
145.02832	1.1
157.06470	1.4
159.04395	2.4
173.06012	0.9
173.09644	1.4
175.07491	0.9
185.06105	0.8
199.03900	0.8
201.05461	0.9
201.09145	1.4
209.05981	0.9
211.03877	0.8
211.07532	1.1
212.04755	1.2
225.05508	3.5
226.06207	1.3
227.06978	1.2
240.04193	3.3
241.05058	4.4
253.05037	17.9
254.05815	8.1
255.06708	2.0
263.10709	0.9
265.04980	1.9
267.06757	2.2
269.08118	1.5
286.04865	3.2
323.12820	5.8
324.13452	0.9
331.21027	2.1
335.12787	1.8
375.16165	1.8
393.17056	100.0
394.17401	10.9
413.73068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
59.01252	2.4
60.99159	0.4
61.53397	0.3
65.99703	0.3
67.01755	1.3
69.03326	0.4
69.31113	0.3
71.01254	1.4
71.34631	0.6
73.02818	0.6
81.03329	0.5
83.04910	0.4
85.02822	11.4
87.00742	3.6
93.03333	9.4
94.62901	0.3
99.04383	0.6
105.03331	0.3
108.02070	0.4
109.02827	1.2
111.04386	1.9
119.04910	0.4
121.02805	0.5
124.01530	0.5
125.02297	0.6
125.70580	0.3
127.03902	2.7
127.82272	0.3
133.02856	1.8
134.03645	1.0
135.04410	8.2
135.06027	0.4
136.04745	0.3
137.02325	1.2
139.03917	0.3
140.70132	0.3
143.03448	0.3
145.02861	3.4
147.04419	5.8
148.04834	0.4
150.03091	0.4
151.03899	1.1
155.03386	0.7
160.01569	0.4
161.02338	0.8
171.02908	0.9
172.03917	0.5
173.02353	9.2
173.04497	7.3
174.01740	0.4
174.05539	3.8
175.03796	0.4
178.02637	1.0
179.03403	2.9
191.05536	100.0
192.05875	3.9
200.03462	20.3
201.03764	1.6
218.04521	11.0
219.04907	0.6
230.06593	2.6
259.52628	0.3
263.96518	0.6
308.09082	0.9
352.07730	0.3
392.02060	0.3
392.09903	6.5
393.10150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	9.0
59.01256	60.1
62.99360	3.3
71.58459	4.7
76.61660	3.4
80.02559	8.4
91.33724	3.8
97.10596	3.8
118.87754	3.8
123.08064	7.2
125.09605	7.0
127.11202	5.4
137.09630	30.8
139.11194	13.4
149.56758	4.0
155.10686	26.0
167.10672	6.5
171.10187	51.2
179.10538	5.3
181.12180	4.3
185.11755	38.2
193.08426	33.4
207.09953	100.0
208.10381	6.6
209.11800	3.8
217.08340	5.9
262.77029	3.7
281.21225	10.2
285.18353	9.7
287.20041	7.4
291.19672	14.7
292.20190	4.2
309.20663	21.9
317.17154	17.9
319.18802	38.1
331.18903	66.1
332.19333	7.1
349.19882	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	391.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	6.7
58.00481	0.6
59.01250	8.8
69.03339	1.1
71.01244	2.6
71.04896	0.7
71.22305	0.7
71.22647	0.6
73.02811	1.0
81.03328	0.4
83.01279	0.5
83.04948	0.4
85.02818	1.0
85.06440	0.9
85.53656	0.3
87.00757	0.4
87.04391	2.8
89.02322	1.7
97.06467	1.4
101.02325	1.5
103.47437	0.3
109.06511	0.5
109.53565	0.4
111.08024	0.8
113.02337	1.0
113.09558	0.4
117.72848	0.3
119.03418	0.5
123.08080	2.2
125.09605	0.7
127.11198	0.6
133.24115	0.3
135.08066	0.4
137.09607	1.4
137.94609	0.3
139.11159	0.5
141.09109	1.4
141.12755	2.3
149.09637	1.2
151.11189	0.8
152.05873	0.3
153.09183	1.8
155.10675	1.9
159.10190	0.6
161.04549	0.5
167.10666	1.3
169.12247	4.7
173.11736	0.6
183.13841	1.4
187.13316	1.3
195.13766	0.3
213.14914	3.7
216.13519	0.4
217.14479	0.6
221.19054	0.8
263.20233	0.5
289.86578	0.3
299.22485	0.7
321.11047	0.3
329.23260	0.8
329.46747	0.4
343.24774	1.1
345.26556	1.6
349.18655	0.7
373.25861	0.7
391.27011	100.0
392.27353	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	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29146	2.0
59.01254	48.0
75.00750	16.0
78.95783	2.4
80.02579	10.5
81.03323	5.3
82.14487	1.9
83.04902	22.1
84.02051	6.8
93.03326	2.4
95.04903	6.6
97.06462	4.6
98.20579	7.4
99.08027	4.6
109.06477	3.3
115.07550	3.5
119.04927	2.6
121.10136	7.3
123.04367	3.2
125.09623	6.2
127.11191	3.9
137.09628	56.7
139.11240	16.7
149.09668	2.8
151.11212	4.4
153.09113	8.1
155.10701	40.3
163.11201	2.3
167.10814	2.0
171.10188	52.9
174.99098	4.9
193.08412	23.3
193.12244	17.1
207.10011	9.1
209.08011	2.9
211.13258	4.3
230.47096	3.5
230.79237	2.0
231.10001	3.0
233.11621	8.8
247.20688	7.6
263.20212	7.5
265.21710	4.4
269.06982	12.4
275.20169	18.8
276.20599	2.5
291.19690	61.2
292.20053	5.8
293.21262	15.5
309.20715	99.0
310.21167	12.0
313.18039	5.2
317.17361	5.2
319.18924	9.8
331.18900	100.0
332.19266	12.2
342.95041	2.0
349.20148	2.5
354.09814	5.0
391.17844	47.0
392.18716	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	46.1
61.98696	9.0
68.66010	2.0
75.60790	1.9
80.02532	4.3
81.03339	2.9
83.01270	12.0
83.04897	5.5
95.04916	3.8
97.06458	5.3
109.06458	2.1
110.21603	1.8
123.08004	2.6
125.09594	13.6
125.32619	1.8
127.07554	2.2
135.01256	2.4
135.08035	2.7
139.11185	12.8
163.11241	12.0
165.12758	16.6
167.10675	6.7
175.07243	3.0
179.14297	2.1
183.13861	2.3
191.10707	4.4
192.51640	2.2
193.15923	4.3
207.10117	2.5
209.11774	88.1
210.12076	6.8
211.13341	2.2
231.09982	40.0
232.10210	2.8
247.20613	11.7
265.21729	5.5
291.19659	100.0
292.19937	9.7
309.20691	62.9
310.20978	6.6
317.17166	2.5
319.18768	5.8
331.18713	13.1
334.37457	2.1
349.19751	2.6
391.20822	6.2
391.25259	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60587	1.5
57.03332	2.2
59.00953	2.0
59.01254	35.4
71.04903	12.9
71.06696	3.8
78.95780	3.1
79.95627	5.9
81.29366	1.6
81.95172	7.8
84.79712	1.6
93.03373	1.6
93.06957	2.2
94.29562	1.8
96.95909	8.1
97.06470	4.5
98.95490	3.9
107.04876	3.1
115.28280	1.6
121.02854	2.9
121.10155	7.4
122.91737	1.7
123.08063	2.0
125.09608	5.2
131.06293	1.8
137.09608	11.4
147.08051	3.1
171.10185	24.9
185.11739	10.7
207.09996	2.8
217.00227	2.8
219.14102	1.8
237.14972	2.7
245.19107	7.2
251.16527	27.4
291.19690	48.6
292.20053	6.0
295.16724	2.5
309.20712	91.3
310.21021	10.0
313.17862	100.0
314.18259	11.0
330.04565	1.7
331.18491	12.7
373.18768	13.8
375.17917	2.7
391.15906	2.9
391.21066	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01591	1.3
69.46168	3.7
69.99659	0.4
71.01243	0.4
80.83694	0.4
93.56848	0.4
93.66040	0.4
98.19759	0.4
101.02346	0.7
140.22360	0.4
163.06035	0.4
163.59842	0.5
186.52597	0.4
210.99490	0.4
218.68073	0.5
231.75183	0.5
297.52087	0.5
411.20358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83680	0.7
58.43027	0.8
59.01250	100.0
60.01585	1.2
69.57101	1.1
69.57502	4.0
71.01270	1.6
73.02818	1.2
73.06985	0.6
79.95637	0.7
111.01893	0.9
146.06032	0.7
182.64099	0.7
240.63895	0.7
257.15488	0.7
298.55936	0.7
329.23495	1.4
373.26361	1.1
391.27014	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01603	1.1
69.37210	1.8
69.37637	1.9
70.96762	0.4
71.01258	0.5
76.12405	0.3
80.26031	0.3
80.55235	0.4
99.17570	0.4
150.38036	0.4
183.90813	0.4
256.67712	0.4
284.24814	0.4
391.27103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03326	4.6
58.00467	1.7
59.01251	100.0
60.01596	1.0
65.34404	0.5
68.99715	0.6
69.03326	1.1
69.40019	3.6
69.40434	1.3
71.01254	30.0
71.04903	0.7
72.99179	2.0
73.02818	17.3
75.00752	0.7
80.61349	0.6
83.01254	4.5
85.02831	9.2
87.00752	2.8
87.04369	2.9
89.02319	13.2
95.01301	2.2
97.02806	0.6
97.06454	0.7
99.00774	2.0
101.02325	21.2
103.03883	1.3
113.02330	10.6
119.03402	5.8
120.99539	0.7
123.08064	1.0
125.02336	1.2
125.09608	0.7
127.03972	0.7
131.03380	1.5
135.04382	1.1
137.09631	0.9
139.11185	0.8
141.09099	0.8
143.03432	2.0
143.10660	0.8
149.04526	0.7
151.11214	0.7
155.10674	1.4
161.04468	8.7
169.12288	1.7
171.10159	0.7
176.03947	0.8
179.05528	2.0
185.11761	1.6
187.13361	5.3
188.13522	0.6
188.43179	0.5
191.05533	0.9
192.62085	0.6
201.11302	1.1
203.05551	1.0
215.12897	2.0
216.13179	0.7
229.14394	3.2
233.71220	0.6
243.16042	0.9
295.15356	0.7
331.17667	6.9
332.17929	0.7
345.22678	1.6
349.18646	17.7
350.19016	1.9
359.24454	1.2
361.25961	3.3
373.25970	4.1
389.25388	0.9
391.19897	4.0
391.26974	83.9
392.27322	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.5
56.47345	0.7
57.03318	0.6
59.01253	100.0
60.01582	1.2
66.23931	0.6
66.90159	0.5
69.53638	2.2
69.54068	2.3
71.01260	8.9
72.99190	1.0
73.02830	2.2
73.30031	0.5
83.01265	0.7
85.02824	4.1
87.00740	0.7
89.02319	6.5
95.01260	1.3
96.95889	1.0
98.20586	0.7
99.00764	1.1
101.02329	6.6
108.02081	0.6
113.02328	5.2
119.03379	3.8
123.04481	0.7
125.02340	0.8
131.03461	0.7
134.04660	0.7
137.02344	0.9
143.03424	0.8
161.04524	3.7
179.05554	1.1
181.05037	0.8
182.89069	0.6
191.05559	1.2
201.31230	0.6
331.17578	0.8
376.14954	0.7
391.18689	1.1
391.23340	3.5
391.27618	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.36399	24.0
71.01266	26.7
71.35541	55.0
71.75582	20.3
79.95602	31.2
80.96403	61.9
100.95023	21.6
110.36234	20.4
127.80657	19.4
138.45522	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	390.2286
Annotation	Pentagydine
Peak:m/z	Relative Intensity
57.03324	1.6
59.01252	12.0
61.01874	0.9
69.03337	1.4
97.06466	2.9
111.08043	8.0
121.98340	0.9
123.08002	1.5
125.09613	24.5
125.10520	1.5
132.08084	4.7
134.09647	24.4
135.09944	1.0
137.09601	3.1
150.09135	3.0
160.07587	28.6
169.12300	1.2
171.10178	4.2
176.10713	1.3
178.08646	6.7
178.12265	2.1
179.10721	1.0
184.69873	1.0
185.11668	1.4
193.08435	1.2
197.11772	21.8
197.38213	1.0
202.12311	19.1
203.12610	1.5
207.09959	6.8
211.13278	2.3
213.11510	1.1
216.13905	3.4
217.00296	2.4
219.09996	22.1
233.11577	12.4
241.04898	1.2
242.19115	17.1
251.11398	2.8
253.05002	6.8
260.20212	4.4
267.06625	2.1
268.16934	5.0
278.68741	1.0
286.18216	3.4
291.19653	5.0
293.12418	4.9
304.19180	44.7
305.19485	5.0
309.20697	23.5
313.17676	4.6
328.22720	2.0
331.18973	6.8
361.14801	3.7
361.37036	1.2
372.21835	6.9
373.14517	1.3
375.17630	1.4
390.22852	100.0
391.15277	1.9
391.18625	7.5
391.23965	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07464	25.4
59.01245	89.4
59.62249	23.5
70.17972	100.0
99.04446	24.9
117.24645	23.1
138.86473	23.6
158.94534	29.3
206.24908	26.7
217.57185	24.3
390.32800	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	389.2549
Annotation	bhos#24
Peak:m/z	Relative Intensity
57.03325	2.1
58.00478	0.8
59.01252	6.0
69.03316	0.5
71.01257	2.3
71.04885	0.8
71.59155	0.5
73.02821	1.6
75.32252	0.4
78.10702	0.4
81.23375	0.4
83.01254	0.5
83.04896	1.3
85.02822	1.7
85.06467	0.8
87.04392	2.9
89.02299	1.6
89.61311	0.4
95.04901	0.7
95.35114	0.4
96.95896	0.4
97.06458	1.4
98.72354	0.4
101.02332	1.6
111.08031	0.5
113.02324	1.1
119.03435	0.8
119.08566	0.5
123.08028	0.9
125.09631	0.8
135.08014	0.7
137.09648	3.1
139.11220	2.2
140.92973	0.4
141.12738	0.7
157.12238	1.5
161.04498	0.5
167.10657	0.5
169.12216	1.1
185.11766	9.6
185.13391	0.5
186.12129	0.4
187.77895	0.4
214.12019	0.8
215.12859	8.2
216.13089	0.7
227.16418	0.5
243.15967	2.5
265.18256	0.5
266.68817	0.4
266.72049	0.4
273.20749	0.6
301.20178	9.1
302.20514	1.1
311.22150	1.1
327.21609	1.6
329.23331	4.4
341.23361	4.1
342.23526	0.7
359.14621	0.5
359.24277	0.8
371.24310	2.1
387.23761	0.6
389.25436	100.0
390.25745	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	389.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.1
58.00478	0.8
59.01252	6.0
69.03316	0.5
71.01257	2.3
71.04885	0.8
71.59155	0.5
73.02821	1.6
75.32252	0.4
78.10702	0.4
81.23375	0.4
83.01254	0.5
83.04896	1.3
85.02822	1.7
85.06467	0.8
87.04392	2.9
89.02299	1.6
89.61311	0.4
95.04901	0.7
95.35114	0.4
96.95896	0.4
97.06458	1.4
98.72354	0.4
101.02332	1.6
111.08031	0.5
113.02324	1.1
119.03435	0.8
119.08566	0.5
123.08028	0.9
125.09631	0.8
135.08014	0.7
137.09648	3.1
139.11220	2.2
140.92973	0.4
141.12738	0.7
157.12238	1.5
161.04498	0.5
167.10657	0.5
169.12216	1.1
185.11766	9.6
185.13391	0.5
186.12129	0.4
187.77895	0.4
214.12019	0.8
215.12859	8.2
216.13089	0.7
227.16418	0.5
243.15967	2.5
265.18256	0.5
266.68817	0.4
266.72049	0.4
273.20749	0.6
301.20178	9.1
302.20514	1.1
311.22150	1.1
327.21609	1.6
329.23331	4.4
341.23361	4.1
342.23526	0.7
359.14621	0.5
359.24277	0.8
371.24310	2.1
387.23761	0.6
389.25436	100.0
390.25745	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	389.2545
Annotation	bhos#24
Peak:m/z	Relative Intensity
57.03331	2.8
58.00473	0.4
59.01042	0.3
59.01255	3.0
69.03325	0.8
71.01247	1.3
71.04894	0.9
73.02820	2.2
81.03323	0.4
83.04894	0.7
85.02833	1.1
85.06458	0.8
87.00777	0.3
87.04392	3.7
89.02321	0.6
95.04891	0.5
97.06461	1.8
99.08040	0.5
101.02319	0.6
109.06483	0.9
111.08055	0.7
113.02362	0.5
113.09547	0.4
123.08041	1.3
125.09628	2.0
127.07539	0.4
127.11259	0.4
129.09113	0.4
136.01543	0.8
137.09613	1.1
138.06787	0.4
139.07506	0.4
139.11217	0.9
141.09155	0.7
141.12785	0.3
143.04935	1.9
143.10715	0.7
151.03909	0.4
151.11166	0.6
153.09146	1.0
155.10675	0.9
157.12253	0.8
159.08095	0.5
167.10710	0.4
169.12244	0.7
171.10190	4.5
173.11713	0.4
183.08049	0.5
185.06010	2.3
185.11722	2.9
187.13310	0.5
200.10455	0.4
201.11244	1.5
215.12816	3.0
222.93878	0.3
227.07097	20.2
228.07426	1.9
229.44270	0.4
243.16006	1.6
245.13686	0.4
246.14807	0.3
271.19278	0.5
273.20483	0.4
281.17685	0.4
283.19150	0.3
301.20175	3.2
311.22586	0.4
327.21725	0.6
329.15875	0.5
329.23376	1.2
341.19647	0.4
341.23233	1.7
343.21115	1.1
347.00931	0.3
347.17090	0.6
359.24359	0.8
369.22791	0.5
371.24438	3.0
387.23932	0.7
389.25464	100.0
390.25806	11.5
390.30927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	22.8
71.01269	25.7
79.95606	33.4
80.44972	18.3
80.96382	100.0
94.97984	20.5
180.59541	21.3
197.11749	38.0
225.00720	32.3
229.23570	28.3
237.22258	24.4
255.23312	45.0
299.04269	25.3
318.57709	21.6
389.19049	44.6
390.19632	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03333	2.8
58.00467	0.6
59.01255	5.7
69.03330	0.7
71.01257	2.9
71.04890	0.9
72.99197	0.2
73.02820	2.3
74.79135	0.2
75.00764	0.3
83.01249	0.5
83.04899	0.9
85.02814	2.2
85.06461	0.6
87.00746	0.6
87.04394	3.0
89.02329	1.3
95.01277	0.3
95.04893	0.5
96.95927	0.3
97.02814	0.3
97.06468	1.3
98.20547	0.6
99.00784	0.2
99.04393	0.3
101.02314	2.3
109.06471	0.3
111.07990	0.4
113.02317	1.4
113.05939	0.3
115.07504	0.5
119.03399	0.7
120.99570	0.4
123.08060	0.8
125.09624	1.3
127.11201	0.3
135.08055	0.6
137.02397	0.2
137.09622	2.7
138.09715	0.2
139.11179	1.9
141.09082	0.4
141.12750	0.9
143.10660	0.3
149.09694	0.3
151.00266	0.7
153.09166	0.4
155.10689	0.6
157.12253	1.7
161.04495	0.9
166.02599	1.2
167.10641	0.5
169.12292	0.9
171.10168	1.3
176.04832	0.3
177.05632	0.3
179.10678	0.2
181.05034	1.5
185.11761	8.4
186.12064	0.6
193.04985	0.4
195.18462	0.2
197.11786	0.2
201.11310	1.6
213.11285	0.7
214.12077	0.6
215.12827	7.7
216.13197	0.5
225.14949	0.4
227.12920	0.2
227.16481	1.0
243.15973	2.8
255.16046	0.5
255.19781	0.2
257.17578	0.3
265.18018	0.4
273.20767	0.3
281.94006	0.2
283.19141	0.8
295.98535	0.3
301.20215	7.8
302.20526	0.7
311.22296	0.9
313.23853	0.3
323.22360	0.3
327.21954	1.2
329.23364	4.0
341.23288	4.4
342.23688	0.3
343.21112	0.4
343.24756	0.5
347.17108	0.6
353.23318	0.7
359.15076	0.2
359.24429	1.0
371.24390	2.4
387.24026	0.6
389.25443	100.0
390.25772	10.4
390.30997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.1
57.03325	4.6
58.00471	4.4
59.01251	83.4
60.01580	1.2
62.28580	0.4
68.99700	0.8
69.03323	0.8
71.01254	100.0
71.30099	0.7
72.01598	1.5
72.99180	6.1
73.02819	21.7
74.03164	0.5
75.00763	1.9
81.03323	0.5
83.01259	11.3
83.06113	0.4
84.02037	0.8
85.02823	36.1
86.03166	1.0
87.00755	5.3
89.02317	51.9
90.02669	0.5
93.03333	0.6
95.01257	7.3
96.95870	0.4
97.02839	1.5
99.00757	9.2
101.02322	71.6
102.02662	1.1
102.05529	0.4
111.00767	1.1
113.02331	40.3
114.02670	1.1
115.03896	0.5
119.03391	22.9
120.03793	0.5
121.02837	0.4
122.05988	1.0
125.02345	2.1
129.01845	1.3
131.03394	2.1
134.03665	0.7
135.04410	0.8
137.02361	0.5
139.00226	0.5
143.03400	6.5
149.02309	0.6
149.04474	1.7
150.03065	1.0
155.10693	0.6
159.02888	6.9
161.04462	32.6
162.05667	0.6
165.05476	1.0
173.04512	0.8
178.02565	0.4
179.05530	5.3
181.12131	0.4
191.05548	2.0
193.04979	0.9
205.03468	1.4
217.72528	0.4
227.16515	1.2
267.11127	0.6
285.12411	1.2
353.08566	0.6
389.21869	15.4
390.22195	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	389.2183
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01757	3.8
57.03327	3.5
58.00465	3.9
59.01254	100.0
71.01257	93.1
71.13891	2.5
72.01591	1.5
72.99183	3.7
73.02822	22.3
83.01253	7.5
85.02825	30.2
86.03168	1.8
87.00760	4.4
89.02322	71.1
90.02682	1.0
95.01257	5.6
99.00759	9.4
101.02327	79.3
102.01656	1.1
102.02691	2.1
110.34486	1.0
113.02335	46.8
114.02716	1.3
119.03394	36.1
129.01845	1.2
131.03407	2.9
143.03436	5.2
149.04463	2.2
159.02910	9.4
161.04471	42.5
179.05569	9.5
192.22946	1.0
204.04172	1.0
205.03372	1.2
242.45836	1.0
264.23560	1.1
358.52435	1.0
389.16919	1.8
389.21829	25.5
390.22028	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	389.2183
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01764	4.3
57.03316	4.0
57.75354	0.4
58.00462	4.4
59.01252	95.0
60.01596	1.1
69.03336	0.7
69.86812	2.3
71.01255	100.0
71.81041	0.4
72.01592	1.9
72.99187	5.6
73.01702	0.6
73.02821	20.3
75.00760	1.6
81.03332	0.5
83.01254	9.1
83.04889	0.5
84.02058	0.6
85.02825	32.0
86.03185	0.9
87.00760	5.4
89.02319	62.7
90.02660	1.6
95.01268	6.2
96.01675	0.4
96.95878	0.5
97.02843	1.7
99.00762	8.4
99.04411	0.7
101.02324	74.9
102.02683	1.8
104.66662	0.3
109.82009	0.3
111.00772	0.6
113.02335	43.3
114.02667	1.6
115.03861	0.6
117.03389	0.4
119.03393	29.6
120.03707	0.4
120.99557	0.5
125.02316	1.9
129.01797	1.0
130.08592	0.6
131.03392	2.5
135.04408	0.5
137.02341	0.7
143.03406	6.2
145.02785	0.9
146.82828	0.3
147.04427	0.8
149.04427	2.4
151.03865	1.0
159.02896	7.1
161.04469	32.9
162.04814	1.1
163.03896	1.0
171.10106	0.7
174.03137	1.0
175.03925	3.7
176.04666	1.1
179.05521	7.2
180.04265	2.0
184.05199	1.1
185.11777	1.9
188.04773	0.5
189.05455	1.6
190.06236	3.2
191.07050	2.6
193.04988	1.9
194.05762	0.9
201.11235	0.5
205.03435	1.3
205.08612	2.5
207.06551	1.4
208.07260	1.3
215.12956	0.4
225.14998	0.5
247.17311	0.4
329.16110	0.4
347.17328	1.8
347.20810	0.6
374.13873	0.6
389.15936	3.8
389.21567	17.1
389.25534	7.3
390.16806	0.6
390.21866	1.9
390.26208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72179	4.1
56.11889	4.0
57.03331	6.2
59.01254	37.9
59.46218	4.2
61.98699	13.7
65.03838	42.5
71.04887	24.0
71.58057	4.3
71.58440	5.1
77.80402	3.8
79.95612	58.4
80.96420	5.6
94.78690	4.1
96.95889	100.0
97.06452	48.9
107.04895	4.0
116.17565	4.5
119.08566	25.0
121.06474	60.8
123.08073	5.1
125.09607	41.9
135.08061	31.1
139.11163	4.7
169.15361	3.9
171.10165	11.5
185.11786	35.8
189.12764	18.8
190.01012	4.2
191.03668	3.7
193.08319	9.3
207.09952	67.9
209.11755	31.7
211.13310	20.7
235.13356	47.4
257.11563	59.4
271.13089	6.5
289.18140	36.3
307.19171	45.7
311.16269	12.4
329.17090	75.9
330.17136	6.5
389.16275	52.8
390.16348	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54339	3.3
57.03318	5.4
59.01253	53.9
69.03374	3.3
70.08028	12.9
71.01249	8.7
80.02564	4.2
95.04940	4.4
96.95875	5.5
97.06473	12.7
98.20422	4.0
111.08039	7.1
120.13535	3.0
122.19532	3.4
123.04407	9.3
125.09630	5.1
128.80713	3.0
143.28827	3.6
149.09616	9.4
151.11169	8.5
153.09067	3.3
163.11198	8.2
165.12746	14.3
179.10727	7.9
181.12296	25.5
191.10669	9.6
191.14272	4.0
193.12267	5.4
201.08995	3.8
209.11748	63.9
217.08434	27.0
231.10025	23.4
233.11559	100.0
245.19077	8.6
249.10907	5.5
253.10524	16.7
259.13181	4.3
263.12744	4.3
264.09885	6.6
267.12167	5.9
283.16788	7.9
285.18430	10.0
289.18002	12.1
290.53717	4.2
307.19046	12.7
315.15662	4.5
317.17401	27.3
329.17502	23.4
330.17587	3.9
389.18329	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	389.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	8.8
59.01257	49.1
69.03337	4.4
69.76556	13.0
69.76961	4.5
71.01246	12.6
80.02543	3.6
83.04909	3.8
95.04880	5.2
97.06470	20.4
111.08020	5.8
123.04425	4.6
125.09599	5.4
136.81917	2.5
137.09612	3.1
140.46582	2.4
141.82224	2.4
149.09590	3.2
151.11195	24.1
153.09076	3.0
153.12749	3.3
155.10754	6.2
161.09715	2.5
163.11139	6.6
165.12753	27.0
167.10664	3.2
177.12845	2.5
179.10683	12.2
181.12279	35.8
182.87483	2.5
191.10754	17.0
191.14340	4.6
195.10143	2.5
209.11780	100.0
210.12064	6.0
211.13368	5.0
212.52037	2.7
215.18274	2.6
217.08466	6.0
227.12674	3.4
233.11588	11.4
245.19081	19.0
246.19427	5.8
262.94397	2.3
263.19955	5.8
264.09537	4.1
279.19543	4.6
285.18387	2.8
289.18152	31.5
290.18594	4.3
307.19159	37.8
317.17368	5.7
329.17245	10.2
389.19199	8.9
389.27109	7.8
390.23804	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.38378	0.6
57.03325	0.9
59.01252	9.6
69.03324	0.6
71.01256	6.4
71.39136	0.9
72.69347	0.6
73.02798	1.0
73.17323	0.5
73.35731	0.6
79.95635	1.0
85.02830	2.3
89.02337	5.4
93.27121	0.5
95.01282	1.1
96.95987	0.5
99.08771	0.6
101.02330	3.6
109.02921	0.6
111.08059	2.0
113.02338	5.2
119.03382	1.6
125.02328	0.7
161.04420	0.8
165.12764	22.7
166.13095	1.3
179.05400	0.8
179.94337	0.6
183.13834	71.1
184.14238	3.6
184.15601	0.6
195.13702	0.6
197.15387	1.5
207.13828	2.6
209.11774	2.4
225.14940	2.1
227.12848	100.0
228.13170	6.1
247.08809	0.6
251.12862	5.0
269.14093	1.8
290.07550	1.1
291.07693	2.8
293.14127	0.6
389.15298	2.2
389.25406	7.7
389.29736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.4
57.03324	5.2
59.01253	42.9
63.52951	1.4
69.03347	1.8
69.10709	1.3
69.86903	6.4
69.87318	2.2
80.02551	3.4
81.03338	5.7
83.01246	11.9
83.04904	4.9
91.91076	1.6
93.03335	2.5
95.04926	4.3
97.02840	6.2
97.06483	9.2
98.20470	2.3
109.02858	2.8
109.06487	1.7
110.03667	1.5
111.08025	2.0
111.49590	1.4
121.06513	3.3
123.04436	9.5
123.08102	4.4
125.05939	2.0
125.09631	20.8
135.08026	2.1
137.05969	2.3
137.09618	10.8
140.66080	1.5
141.12700	2.0
142.02654	1.6
149.05971	2.8
162.10442	1.5
163.11209	23.0
164.11586	2.1
165.09116	1.8
165.12788	5.4
171.10100	2.3
175.07413	3.0
177.12718	2.5
179.10707	2.7
181.12216	3.2
185.11740	12.7
188.88312	1.7
191.10724	4.0
191.14320	18.6
200.83643	1.6
207.10153	14.0
209.11777	76.8
209.13777	3.7
210.12094	5.0
217.15836	2.0
219.06458	2.2
221.11757	2.1
225.11269	7.3
231.09984	51.4
232.10458	3.5
233.11537	4.7
245.19058	38.3
246.19397	3.3
247.09612	1.4
249.11174	2.7
263.20261	3.4
271.16974	4.5
285.18430	2.8
289.18100	100.0
290.18451	8.5
291.12201	2.4
307.19168	56.7
308.19556	6.4
311.16180	1.7
317.17456	8.0
329.17413	11.9
389.19424	8.1
395.30588	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	389.164
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
59.01252	0.5
59.40777	0.2
64.03826	0.2
71.58681	0.4
79.95613	3.9
80.96398	1.3
96.95893	100.0
97.95837	0.3
100.07723	0.2
103.49438	0.2
122.32086	0.3
123.52853	0.2
135.04387	0.4
147.04456	0.3
155.87630	0.2
171.15988	0.2
199.09813	0.2
243.85292	0.3
283.20667	0.3
309.20685	0.9
317.21088	0.7
327.19647	0.8
338.56174	0.3
345.20731	1.0
360.18311	0.3
371.18326	0.5
389.16360	35.4
390.16727	3.6
390.44260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1091
Annotation	Eustomoside
Peak:m/z	Relative Intensity
54.62865	1.3
59.01256	8.7
70.14788	2.7
70.15192	4.1
71.01250	10.1
72.99158	2.1
73.02827	1.8
78.98563	1.6
83.01252	1.8
85.02818	7.2
87.00736	1.7
89.02323	3.4
94.88606	1.5
95.04925	2.2
98.19827	2.1
99.00838	1.7
101.02303	7.2
107.04922	1.7
109.02833	1.8
111.00780	1.9
113.02302	5.7
121.02782	1.8
123.00715	2.2
123.04432	4.6
125.02352	3.1
137.02333	10.8
139.00240	3.3
139.03914	20.0
140.01028	1.9
147.24895	1.6
149.02330	6.6
150.03111	4.7
151.03944	8.8
152.01019	2.6
152.04631	4.1
153.01833	27.0
155.03407	2.4
165.01828	2.9
165.05495	8.4
166.02603	3.0
167.03419	100.0
168.04195	60.1
169.04572	2.2
183.06529	4.7
184.03661	1.8
193.05090	2.4
194.02141	4.7
197.04608	1.8
209.04501	6.3
211.02414	11.1
212.03212	87.2
212.06616	3.6
213.03629	3.8
219.97040	1.5
226.04724	2.7
227.05585	78.5
227.09003	15.7
228.05937	6.0
330.09225	3.1
374.08575	22.5
385.22791	1.7
389.10828	70.6
390.11295	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	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35236	6.1
58.46900	5.2
61.98702	58.1
64.93920	4.8
71.58541	7.4
73.14610	6.8
79.95609	100.0
80.96391	13.0
96.95881	42.6
149.74486	6.0
248.01251	5.8
290.18463	8.0
354.57697	6.0
389.16397	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	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14378	54.8
62.23013	53.3
66.36056	59.5
71.01260	91.1
74.37616	61.6
101.02335	100.0
102.38917	52.0
387.29187	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25227	33.5
52.08544	38.3
54.37038	45.4
56.34151	34.5
59.01243	100.0
70.84513	35.6
71.01257	69.0
71.58736	40.0
71.73557	42.5
106.69520	43.4
169.32257	36.5
171.24245	37.2
235.17325	39.1
387.20096	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01757	4.3
56.90943	0.5
57.03319	4.5
58.00470	4.7
59.01253	100.0
60.01586	1.4
67.95373	0.4
69.03341	0.8
71.01255	95.7
71.04894	0.9
72.01590	1.5
72.99187	7.0
73.02821	18.0
75.00761	2.1
81.03336	0.8
83.01261	9.2
84.01593	0.5
84.02077	0.9
85.02824	32.7
86.03143	0.8
87.00741	5.1
89.02319	74.2
90.02639	1.2
95.01265	7.3
97.02823	1.4
99.00756	6.1
99.04399	0.9
101.02325	74.8
102.02671	1.5
111.00748	0.9
113.02332	43.4
114.02674	1.3
119.03392	32.4
120.03785	0.7
125.02354	1.9
129.01849	2.1
131.03386	3.5
137.09628	1.0
143.03386	6.2
149.04431	2.6
151.11201	1.5
155.50742	0.5
159.02896	6.0
161.04474	25.9
162.04787	0.6
179.05542	5.8
181.12251	1.6
182.02155	0.6
183.02899	1.1
195.13826	1.7
204.77069	0.5
205.03508	0.9
207.13898	1.2
225.14914	12.7
226.15291	1.0
292.98978	0.5
297.17175	0.9
310.34119	0.6
387.15158	1.1
387.20166	21.6
388.20502	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	387.2025
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01757	6.0
57.03325	14.0
58.00464	1.9
59.01251	36.9
60.01587	0.7
67.01782	0.6
68.99671	0.7
69.03333	2.2
71.01253	100.0
71.04881	6.2
72.01576	0.9
72.99187	4.1
73.02820	22.6
75.00771	0.7
81.03339	2.0
83.01259	11.4
83.04901	1.1
84.02056	1.1
85.02824	55.6
86.03136	1.1
87.00743	5.2
89.02319	18.9
90.57810	0.4
90.84898	0.4
93.97912	0.4
95.01266	15.4
95.04865	2.4
97.02825	5.5
97.06474	1.0
98.03609	2.4
98.19735	0.7
99.00765	8.9
99.04397	2.7
99.08083	1.0
101.02322	35.4
102.02668	0.5
108.02048	0.7
109.02794	0.7
109.06470	2.6
111.00732	0.7
111.04379	1.2
111.08047	1.5
112.01564	1.1
113.02331	68.8
113.05949	1.3
114.02676	1.9
116.20840	0.4
119.03397	5.0
121.06448	0.7
122.03622	1.0
123.04414	0.6
123.08045	4.6
123.76411	0.5
125.02335	1.9
125.06009	0.8
125.09612	2.7
127.07511	1.5
129.01828	1.2
131.03392	1.2
135.08052	1.2
136.01532	2.5
137.02307	3.2
137.05986	1.1
137.09622	6.6
138.06761	19.7
139.00276	0.6
139.07516	1.0
141.09128	5.5
143.03409	3.6
147.11717	1.0
149.09605	1.0
151.03920	7.9
151.07532	1.1
151.11203	4.0
152.08301	0.7
153.09120	47.3
154.09459	1.4
155.10675	1.2
159.02899	3.4
161.04462	18.9
162.04811	0.9
163.11218	3.0
165.09122	6.6
165.12752	0.8
167.10764	1.0
177.01822	1.2
178.02617	0.9
179.05568	1.3
181.12228	1.8
189.12761	4.3
193.04927	0.8
195.13872	4.9
205.03462	0.8
205.12257	0.9
207.13832	9.6
208.14130	0.5
210.05255	2.3
223.13335	2.0
225.07666	2.8
225.14919	62.0
226.15222	4.7
241.14400	1.4
243.15997	33.0
244.16322	2.0
387.20239	25.5
388.20618	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	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07212	1.1
54.03241	0.7
55.36035	0.7
57.03315	2.7
59.01240	3.0
60.51694	0.9
66.24924	1.0
68.51570	0.8
73.92489	0.8
74.16011	0.8
81.03325	3.0
83.01251	4.0
85.02869	1.2
93.03316	2.4
95.01231	0.9
95.04901	5.7
97.02827	8.6
98.20587	1.5
108.02028	1.5
109.02837	32.5
115.00233	1.3
121.02854	5.2
122.03622	1.3
123.04416	20.6
125.02346	18.3
135.04442	4.5
137.02333	10.7
137.05928	0.8
138.03035	1.2
139.03937	5.4
145.02861	1.4
146.03622	1.5
147.04375	1.1
149.02339	6.5
150.03096	1.9
151.03917	13.3
159.04407	3.5
160.05138	2.5
161.02359	0.9
161.06007	8.6
162.03127	3.0
163.03943	1.8
164.01036	2.5
165.01790	3.8
165.05441	1.1
167.03398	2.5
173.06049	1.0
174.03139	1.1
175.02509	1.3
175.03925	2.2
175.07527	1.2
179.03429	7.0
179.07051	1.9
187.03929	7.9
188.04718	4.3
191.07059	1.2
199.07719	1.1
201.05609	1.1
202.06277	2.9
203.07088	19.1
204.07404	1.2
205.05008	13.7
219.06554	1.2
221.08105	3.7
227.07108	2.2
229.36588	1.2
230.05760	1.5
231.03003	1.2
245.08159	23.4
247.06140	1.8
271.06168	1.2
275.12823	1.2
289.07181	100.0
290.07602	7.6
299.12784	2.4
343.11874	14.1
343.15701	1.1
344.12039	1.5
369.13504	1.0
369.22858	1.2
387.14462	39.7
387.23657	9.0
388.14862	4.1
388.23947	1.0
397.57379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01760	4.7
57.03331	4.8
58.00473	4.4
59.01253	100.0
60.01583	0.9
69.03332	0.8
69.52292	2.0
69.52716	1.6
71.01256	90.1
71.04897	0.8
72.01585	1.4
72.99184	6.2
73.02822	16.4
75.00755	0.8
83.01260	8.6
84.02041	0.5
85.02824	29.6
86.03149	0.6
87.00754	5.0
89.02322	54.5
90.02657	1.0
95.01262	6.3
96.95879	0.5
97.02853	1.5
97.29502	0.5
99.00769	7.0
101.02325	55.9
101.97124	0.5
102.02657	1.1
113.02332	33.7
114.02641	1.0
119.03394	24.4
120.03751	0.6
125.02367	1.3
129.01830	1.0
131.03410	2.5
137.09679	0.9
139.00259	0.6
143.03430	5.2
148.17883	0.5
149.04463	1.4
151.11192	1.5
153.09219	0.8
159.02925	4.0
161.04471	19.9
162.04750	0.7
179.05565	4.3
181.12283	1.1
189.12842	1.1
195.13863	1.3
205.03404	0.7
207.13811	1.3
223.13374	0.6
225.14917	8.8
282.13818	0.4
297.17041	0.6
343.33005	0.4
347.05804	0.5
387.20215	17.0
388.20416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46362	1.0
57.03325	3.9
59.01260	6.9
61.74833	0.9
65.03841	2.8
67.01757	1.1
69.03345	1.3
69.11379	1.2
71.01246	3.1
71.59482	1.8
73.02811	2.1
81.03339	3.1
83.01263	5.2
83.04890	1.2
85.02824	2.0
93.03349	3.0
95.01268	1.8
95.04913	3.8
97.02840	10.1
101.02337	1.5
108.02084	1.6
109.02842	77.6
110.03168	2.3
111.08022	1.1
113.02357	1.5
121.02873	6.3
122.03660	1.8
123.04420	23.3
125.02340	21.2
133.37117	1.1
135.04445	9.0
135.08035	1.1
137.02351	12.8
138.02908	1.0
139.03903	3.7
139.07556	1.5
142.69965	1.0
146.03627	2.2
147.04388	1.6
149.02338	7.9
150.03145	1.7
151.03915	12.9
159.04427	3.1
160.05244	2.1
161.02356	4.6
161.05974	6.9
162.03093	2.4
163.03961	4.1
164.01062	3.6
164.04695	2.4
165.01915	6.1
167.03465	1.8
168.08266	1.1
173.05952	1.4
174.03154	2.3
175.02580	1.4
175.03893	5.6
175.07579	1.5
177.05464	1.8
179.03427	8.4
179.07095	3.2
180.04103	1.7
185.05991	1.5
185.11771	1.4
186.06842	1.2
187.03941	8.1
188.04692	4.3
191.07124	3.5
199.07578	2.3
201.05499	1.6
202.06161	1.5
203.03656	1.2
203.07076	22.8
204.04237	1.1
204.07474	1.8
205.05008	15.6
219.06522	2.1
221.08179	4.9
227.07117	3.4
231.02940	2.4
243.15964	1.3
245.08188	20.9
246.08543	1.6
247.06078	3.2
262.08487	1.8
271.06049	2.3
277.10818	4.1
289.07199	100.0
290.07480	7.6
299.12982	2.3
343.11884	13.9
343.24930	7.2
344.12082	1.4
369.22824	3.0
385.14716	1.4
387.14508	44.7
387.23700	15.3
387.27850	1.6
388.15009	4.3
388.23923	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.6
59.01244	1.4
60.10737	1.0
66.78974	1.0
66.86985	1.1
69.03320	1.3
70.56429	4.4
81.03309	3.5
83.01269	5.4
87.00751	1.1
90.42593	1.1
91.69590	1.4
93.03337	1.7
95.04912	3.8
97.02814	10.3
102.28646	1.3
109.02839	33.3
115.00256	3.0
121.02843	4.5
122.03674	2.3
123.04427	22.9
125.02332	23.3
135.04440	4.0
137.02348	11.1
139.03886	5.6
145.02917	1.5
146.03653	2.1
149.02380	7.8
151.03912	12.1
157.89673	1.1
159.04431	4.6
160.05200	2.7
161.02341	1.3
161.06035	8.5
162.03131	3.2
163.03934	2.5
164.01097	5.2
165.01819	5.9
166.02623	1.6
167.03407	1.9
173.06027	1.5
175.02405	3.2
175.03944	2.8
175.07573	2.3
177.05466	1.7
179.03465	7.0
179.07068	2.6
185.06038	1.3
187.03993	6.5
188.04704	5.9
191.07066	1.6
201.05476	1.2
202.06256	3.2
203.07062	19.0
205.05008	14.9
206.05449	1.2
219.06586	1.5
221.08144	4.7
227.07152	2.5
231.02907	2.7
237.30408	1.2
245.08148	27.1
246.08250	1.6
247.06146	2.4
289.07187	100.0
290.07703	8.1
299.12878	2.4
310.37198	1.1
343.11786	15.1
343.15414	2.4
344.12231	1.4
387.14508	45.0
387.23801	2.7
388.14572	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	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63359	0.4
55.15012	0.5
57.03323	3.6
59.01248	3.8
62.75600	0.5
64.81938	0.4
69.03312	1.6
69.47916	2.8
69.48323	1.0
71.01241	0.9
73.02806	1.2
81.03339	2.3
83.01251	5.0
83.04887	0.5
83.55427	0.4
85.02792	0.8
89.02322	0.8
93.03325	1.5
95.01272	0.8
95.04904	5.2
96.95899	0.7
97.02834	8.4
97.06483	0.4
98.20708	0.8
99.04372	0.7
101.02325	0.7
107.04859	0.7
108.02047	1.1
109.02840	34.1
110.03142	0.6
114.66341	0.5
121.02843	5.4
122.03619	1.7
123.04417	22.5
125.02348	19.0
126.02666	0.9
133.02888	0.6
135.04428	3.2
135.08047	0.9
137.02353	12.3
137.05965	0.6
138.03072	0.8
139.03900	5.0
143.04852	0.6
145.02867	2.3
146.03619	2.1
147.04364	0.9
149.02361	7.0
150.03050	0.8
151.03922	11.5
152.04297	0.6
152.40288	0.5
153.09215	0.6
159.04399	3.7
160.05164	1.9
161.02335	1.7
161.06003	7.1
162.03157	2.6
163.03865	1.8
164.01089	3.8
164.02293	0.7
165.01859	5.3
166.02588	0.8
167.03389	2.1
171.10190	0.9
173.05946	1.3
174.03130	0.8
175.03961	2.9
175.07556	2.6
177.05457	1.4
179.03432	7.7
179.06920	2.3
181.12273	3.8
185.05997	2.0
187.03937	7.2
188.04698	5.9
189.05397	0.5
191.07002	1.2
193.08606	1.0
199.07607	0.8
200.49324	0.4
201.05482	1.1
202.06267	2.6
203.03290	0.8
203.07077	19.6
204.07423	0.7
205.05003	15.2
212.04686	0.6
217.08586	0.7
218.05806	0.5
219.06541	1.2
221.08163	5.5
225.11275	5.7
227.07076	2.6
230.05827	0.8
231.02934	1.4
232.50780	0.4
233.08214	0.8
235.09769	0.5
245.08165	22.9
246.08394	1.5
247.06134	2.7
257.11789	0.5
271.06000	1.0
285.10574	0.5
289.07184	100.0
290.07532	7.7
299.12967	2.5
325.14307	1.0
327.21829	1.1
343.11841	13.4
343.15701	0.7
344.12164	1.5
369.13440	1.5
369.22672	1.2
387.14511	43.8
387.23749	11.0
388.14783	6.1
388.23911	0.6
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
55.68828	0.7
57.03321	3.7
59.01234	1.7
65.00240	0.7
69.03308	0.7
69.24830	7.8
73.02789	1.2
74.15223	0.7
81.03328	3.8
83.01247	4.6
85.02796	1.2
90.52727	0.7
93.03328	1.7
93.56315	0.7
95.01242	0.8
95.04913	4.9
97.02838	8.3
97.06431	1.5
107.04858	0.9
108.02023	1.2
109.02834	29.7
121.02793	3.4
122.03584	1.8
123.04411	20.6
123.08003	0.9
124.01490	0.8
125.02345	17.0
125.05919	0.8
135.04347	3.2
137.02339	11.9
138.03091	1.5
139.03917	4.1
145.02782	1.8
146.03610	1.7
147.08000	1.0
149.02351	7.0
150.03024	1.8
151.03926	11.9
151.07570	0.8
159.04359	4.0
160.05115	2.3
161.02309	1.6
161.04980	0.7
161.05998	8.1
162.03082	2.4
163.03864	1.8
164.01033	3.6
165.01811	4.6
166.02357	0.8
167.03360	2.8
171.10147	2.9
174.06769	0.9
175.03886	2.2
175.07539	1.9
177.05504	1.5
179.03438	6.3
179.07027	2.3
185.05977	1.7
187.03929	6.5
188.04739	5.7
191.07037	1.2
202.06236	2.9
203.07074	18.7
204.07347	1.5
205.04994	12.7
206.05414	0.9
217.08571	1.1
219.06659	0.8
221.08109	3.7
227.07037	2.9
231.02908	1.2
233.08090	0.9
233.86183	0.7
245.08147	22.5
246.08507	2.1
247.05998	2.0
271.06055	1.6
281.17859	1.0
289.07184	100.0
290.07529	7.9
299.12943	2.4
327.21838	1.0
343.11798	14.4
344.12369	2.0
369.13419	1.7
369.22629	1.0
383.54013	0.9
387.14532	43.0
387.23788	26.1
387.28625	1.4
388.14844	5.5
388.24213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
52.58131	8.4
59.01243	12.0
72.89487	8.4
73.65184	8.8
77.16761	8.1
83.01246	10.5
89.27835	7.4
93.03333	77.7
108.02039	22.5
119.04914	64.1
121.02853	100.0
134.03621	9.2
135.04352	20.9
147.04398	31.9
149.02345	26.4
149.05975	17.5
150.03209	10.3
151.03885	27.8
153.01767	9.9
163.03867	13.5
164.04695	13.2
167.03323	7.8
175.03938	14.6
177.01862	52.8
177.05338	9.5
179.03444	22.0
179.07028	18.9
191.03505	9.1
192.04243	15.5
193.04935	9.7
194.32559	9.0
217.08624	13.2
219.06415	9.3
220.03613	11.3
232.18462	12.1
237.07660	14.9
239.06947	9.5
249.11191	10.2
267.06363	10.4
268.07541	11.4
296.06812	25.8
299.09305	13.6
310.08664	11.2
311.09283	15.4
312.22562	9.5
314.08078	10.9
329.10501	9.3
350.27481	8.6
354.44684	8.5
369.13354	23.5
387.14349	32.4
390.90613	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1298
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
50.37296	1.8
51.83030	1.9
55.01763	2.6
57.03318	4.0
59.01243	32.7
69.03321	1.8
71.01259	44.1
71.57521	2.2
72.99182	2.4
73.02817	14.5
81.84209	1.9
83.01260	5.6
85.02817	22.4
87.00751	5.4
89.02300	14.4
93.03337	100.0
94.03665	3.0
95.01238	5.1
96.95898	3.1
98.74772	2.0
99.00768	16.7
101.02320	29.2
109.02846	2.1
113.02335	18.6
119.03371	3.5
123.00797	3.2
123.04416	11.4
125.02364	6.1
143.03375	4.2
151.00262	4.4
151.03915	36.5
157.01021	1.9
159.02864	3.1
161.04472	39.4
165.05446	6.1
166.06268	15.2
168.71022	2.0
173.04471	3.5
177.01874	7.9
181.08612	2.6
182.02106	5.3
183.02907	2.7
191.05563	35.3
192.04205	16.2
195.02875	5.5
205.03506	3.6
207.06560	29.0
210.05214	14.1
225.07646	71.2
226.07899	5.9
255.08652	9.0
369.08084	3.5
387.13037	42.7
388.13492	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
58.00464	1.1
58.47655	0.8
59.01247	9.1
61.05397	0.9
61.76066	0.8
62.75922	0.9
69.37450	8.6
71.01242	2.7
71.96386	1.0
83.04878	1.1
85.02823	4.2
89.02321	3.3
91.03886	11.1
98.20612	1.3
99.08023	2.5
113.09596	3.2
121.02898	1.4
123.96684	0.9
129.09120	6.2
137.02373	1.8
149.02284	1.1
151.11197	1.0
153.12814	0.9
169.12283	1.5
171.10156	2.8
181.12250	5.2
183.13835	2.7
191.01932	1.4
193.08687	1.4
193.12263	2.4
197.11758	9.4
199.13330	4.0
211.13332	17.8
212.13742	1.7
227.12943	1.0
268.77280	0.8
275.20166	1.7
293.21213	15.2
293.45950	0.9
294.21445	1.2
311.22278	100.0
312.22574	9.8
385.12659	1.8
385.26199	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	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.6
68.36694	0.4
69.28191	4.7
71.01275	0.6
84.13287	0.4
85.02828	1.3
86.23932	0.4
89.02325	0.5
91.03884	1.4
97.06443	0.6
98.20570	0.9
113.09579	0.6
115.07509	0.8
119.04938	0.6
121.02831	3.3
128.08307	0.6
135.91327	0.5
139.11128	0.5
142.77827	0.4
155.28941	0.4
167.14326	2.7
171.10263	0.6
183.13881	1.1
191.03459	0.7
193.04926	0.6
193.08621	1.6
195.13841	11.4
196.14169	0.8
211.13339	1.1
213.14864	0.9
241.14395	0.5
242.15138	1.1
249.22116	1.0
265.21600	0.7
275.20242	0.6
283.22418	0.5
287.05664	0.5
293.21194	11.1
294.21677	0.9
311.22269	100.0
312.22589	9.7
313.07346	0.9
345.79288	0.5
385.08817	0.5
385.23865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
58.71089	0.7
59.01256	9.0
59.63328	0.7
71.01268	2.3
71.16962	1.7
72.69051	0.7
73.02805	1.6
74.53332	0.7
77.31891	0.7
80.41591	0.7
83.04965	0.7
85.02813	3.7
89.02322	3.0
91.03884	12.0
99.08031	2.6
109.02811	0.9
113.09621	3.0
121.02889	1.3
123.08128	1.4
124.01531	1.8
127.11154	0.9
128.50392	0.7
129.09093	4.1
137.02380	2.7
138.03146	1.7
139.11234	1.4
149.02361	6.7
151.11221	1.4
169.12314	3.4
171.10158	2.2
181.12288	6.5
183.13832	2.1
192.07866	1.5
193.12279	2.6
197.11778	9.7
199.13307	4.9
201.11316	1.0
207.10213	6.2
211.13358	22.9
211.15392	1.2
212.13722	1.5
213.11261	1.1
219.06549	1.6
223.09520	1.6
227.12877	0.9
235.09564	1.6
275.20212	2.1
291.19537	1.0
293.21249	17.7
294.21411	1.0
309.20609	1.1
311.22275	100.0
311.71521	0.7
312.22641	9.3
327.21872	2.7
331.18719	1.0
338.56439	0.9
355.86139	0.8
357.13638	4.6
385.12927	1.8
385.17627	2.2
385.26031	5.8
386.26584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2233
Annotation	Oleandolide
Peak:m/z	Relative Intensity
53.57569	0.5
56.30348	0.5
57.03312	0.7
58.96776	0.5
59.01249	3.4
61.51620	0.4
65.09283	0.4
69.12199	0.4
71.01260	0.8
85.02850	0.6
89.02319	1.0
91.03897	3.6
92.06598	0.5
97.06476	0.8
97.66373	0.5
98.20571	0.8
118.38589	0.5
119.04935	0.6
121.02850	1.8
122.03657	1.2
125.02338	0.6
135.04422	0.7
136.05220	1.2
138.62637	0.4
149.05983	0.9
163.07472	0.5
167.14328	3.8
168.04231	1.0
193.15967	1.3
207.17546	1.8
223.20607	2.5
231.17645	0.9
233.15254	0.6
249.18552	7.6
250.18871	1.0
267.19656	100.0
268.20023	7.4
274.10403	0.5
275.16559	12.0
276.16913	1.1
293.17603	74.7
294.17947	6.0
311.18637	15.7
312.18936	0.9
367.21271	8.8
368.21634	0.7
385.22305	48.9
386.22653	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	385.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07230	0.4
50.52698	0.4
57.03327	1.2
58.74199	0.5
59.01253	4.7
60.13707	0.4
69.87780	2.7
71.01266	1.2
73.02775	0.4
85.02814	2.8
89.02346	1.5
91.03877	2.6
96.95856	0.5
97.06507	0.7
101.81683	0.4
121.02881	1.1
122.03650	1.5
123.04398	0.4
125.02343	1.0
126.03065	0.6
127.65334	0.5
135.04408	0.6
136.05165	0.4
164.08235	0.4
167.14322	3.1
168.04196	0.9
171.10219	0.4
186.66374	0.5
191.01927	0.7
193.15907	1.3
201.01849	0.4
207.17494	1.1
215.12741	0.5
223.20638	1.7
231.17477	0.9
233.15445	1.1
249.18541	7.0
250.18837	0.9
267.19650	100.0
268.19974	7.1
275.16547	11.5
276.16885	1.0
293.17590	71.9
294.17908	6.6
311.18661	14.8
311.21899	0.3
312.19000	1.6
323.25946	0.7
341.26965	1.2
349.24152	0.6
367.21136	7.1
367.24860	0.7
368.21744	0.5
385.22269	38.5
385.26227	7.5
386.22446	3.9
386.26929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69729	0.8
59.01253	100.0
60.01575	1.2
66.06700	0.8
69.58958	7.6
71.01235	1.3
73.09768	0.8
85.02822	3.1
90.02628	0.8
120.26136	0.8
128.65244	1.0
137.02357	1.2
161.57117	0.9
179.10713	2.4
183.94382	0.9
185.56091	1.0
363.73700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79455	0.4
59.01252	100.0
60.01601	1.0
66.08198	0.4
69.59061	2.4
69.59466	0.8
71.01273	1.6
73.02825	0.9
83.01264	0.6
85.02807	2.3
87.00741	0.5
89.02325	0.6
95.06323	0.4
97.02840	0.5
101.02366	1.1
108.65949	0.4
113.02353	0.6
119.03442	0.4
119.95066	0.4
125.02340	0.6
125.57938	0.4
135.11670	0.5
137.02382	1.4
150.03148	0.5
161.04483	0.5
163.03911	0.5
165.01920	1.4
167.40663	0.4
173.01093	0.4
175.07539	0.3
179.05583	0.7
179.10710	3.4
180.11018	0.4
201.70738	0.4
223.09677	0.6
226.53435	0.4
247.09735	0.5
265.10797	0.5
305.19250	0.5
385.13101	0.9
385.22522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26897	0.7
53.79324	0.7
54.22509	0.8
57.03318	2.3
58.00455	1.1
59.01252	37.1
60.01600	0.8
67.48640	0.9
67.55396	0.8
69.03315	1.0
70.56265	2.9
71.01254	17.0
72.99190	1.9
73.02822	1.2
75.00742	1.8
83.01260	1.8
85.02827	11.1
87.00787	1.1
89.02314	12.4
93.03342	1.0
95.01273	1.7
96.95869	1.0
97.02825	1.2
97.06464	1.0
97.52831	0.9
98.95491	0.9
99.04396	1.5
101.02341	6.8
109.02817	2.3
110.43024	0.8
113.02326	9.1
119.03383	3.2
123.04459	1.5
125.02345	5.2
135.02908	6.9
135.04459	0.9
135.11714	10.8
137.02357	13.1
143.03389	1.0
148.05208	0.8
150.03062	1.7
151.03900	1.0
151.51874	0.8
159.11639	0.9
160.19771	0.8
161.04451	1.7
161.09592	3.5
163.98195	0.9
165.01790	4.3
167.03363	1.3
173.06047	1.1
174.03113	1.0
175.07491	1.4
179.03404	2.0
179.10703	100.0
180.11063	4.3
181.05046	1.8
187.07582	1.1
191.01881	1.8
193.12247	2.7
196.03702	1.0
201.09088	1.9
203.07118	1.5
203.10652	1.3
205.08728	1.5
221.11804	1.3
223.09705	23.5
223.13213	1.0
224.10123	1.3
226.92538	0.8
229.08591	1.6
247.09714	3.1
265.10733	3.9
267.12845	1.1
367.11948	1.2
385.12961	3.5
385.22314	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	9.5
59.01255	100.0
69.03304	3.8
70.92761	4.6
70.93085	6.4
71.01260	14.7
73.02819	5.4
75.00748	6.4
83.01283	5.2
85.02826	47.9
89.02321	6.1
93.03345	4.0
96.95908	5.7
101.02332	3.9
105.44544	3.8
109.02812	7.3
111.00743	4.0
113.02314	7.9
119.03411	4.5
121.02859	8.7
124.54214	3.5
125.02357	18.5
129.01875	4.2
134.03642	4.9
135.02907	5.1
137.02336	34.1
138.03241	3.9
145.80606	3.6
146.03572	4.9
149.06012	4.0
150.03139	5.2
151.03894	4.4
164.01123	5.6
165.01849	15.6
167.03470	7.5
174.03093	4.3
175.07526	8.3
177.01930	4.9
179.03339	6.2
179.10710	6.2
188.91412	3.7
191.01886	10.4
205.08769	5.1
209.03036	5.5
223.13173	3.9
247.09756	6.7
323.13049	4.2
385.13977	11.4
385.22488	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	385.1141
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
51.03006	0.4
52.20080	0.3
57.03315	0.9
58.00452	0.6
59.01251	10.5
65.38578	0.4
69.88969	0.8
69.89385	1.6
71.00891	0.6
71.01250	6.9
72.99181	0.8
73.02740	0.5
83.01244	1.2
85.02821	8.3
87.00716	0.6
89.02308	4.8
91.01742	0.9
93.03323	0.5
96.95862	0.5
101.02315	2.5
104.63371	0.4
111.00756	2.2
113.02326	1.9
119.01265	4.0
119.03348	1.3
121.02856	1.0
121.73879	0.4
125.69643	0.4
129.01787	1.6
135.04416	0.5
147.00771	2.8
147.02888	0.4
149.02341	4.9
161.02441	0.4
162.02972	0.5
163.03838	0.8
164.04713	6.0
165.01788	1.4
165.05002	0.5
175.00285	25.5
176.00648	1.1
179.03365	1.1
179.07079	1.9
181.04953	0.8
189.01848	0.7
190.02638	69.0
191.03098	4.0
191.05498	0.5
193.01369	0.6
205.05003	100.0
206.05373	5.8
208.03651	0.5
217.01295	0.7
221.08139	1.8
223.04427	5.6
223.06111	13.9
224.06528	0.9
232.03772	1.2
247.06126	5.6
248.06464	0.6
265.07147	2.9
268.28049	0.4
289.07272	0.5
295.08197	0.7
325.09293	2.5
385.11368	4.2
386.11658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76006	0.5
55.01747	2.0
57.03324	13.2
59.01249	7.1
68.99692	1.0
70.91201	1.4
71.01239	5.1
72.99174	2.1
75.00745	2.0
83.01244	2.7
84.02037	2.5
85.02821	100.0
86.03153	1.8
87.00767	2.0
93.03355	1.9
95.57240	0.6
101.02334	1.0
103.00236	2.2
111.00778	5.4
121.02837	1.2
129.01840	9.5
133.01364	1.2
134.03662	3.5
139.03880	1.6
147.02907	8.5
149.02351	1.6
167.03372	1.3
173.00847	0.7
173.04449	2.9
175.03952	0.7
191.01895	22.3
191.05521	7.9
193.01329	2.8
193.04977	2.1
205.03459	3.2
209.00999	1.2
209.02965	22.8
210.03304	0.7
223.04512	11.6
264.62152	0.6
289.99561	0.6
328.55518	0.6
385.07660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53142	0.9
57.03327	2.8
59.01242	3.6
60.99175	1.5
67.01764	4.3
68.99680	0.9
69.03330	2.6
69.69357	2.1
69.69780	4.2
71.01250	4.1
72.99170	4.3
81.03303	2.0
83.04910	1.5
85.02824	24.7
86.03197	1.3
87.00758	8.0
92.03064	0.9
93.03339	32.5
95.04921	2.8
100.98711	1.2
105.03364	2.4
108.02010	0.9
109.02831	5.5
111.04401	5.0
121.02850	12.2
123.00790	3.0
123.04397	2.7
124.01549	1.2
125.02357	1.9
127.03866	2.2
129.01843	3.0
135.04425	1.5
136.01575	1.6
137.02353	12.8
138.03162	1.3
139.03911	19.5
147.02893	1.0
148.01530	2.8
149.02351	29.7
151.03828	1.2
155.03389	1.1
165.01872	7.5
167.03406	12.1
173.04469	18.8
175.04456	0.9
190.02582	1.3
191.01964	2.7
191.05544	100.0
192.05911	5.0
193.01357	27.6
205.04974	1.2
209.03069	1.4
211.02452	3.4
223.04401	1.0
247.04620	1.5
273.70996	1.1
329.33670	1.0
367.06693	2.7
385.07654	13.7
386.08420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.8
57.03322	14.1
59.01252	7.1
63.26412	0.9
70.13399	4.0
71.01253	2.5
75.00755	1.1
81.50327	0.8
83.01253	1.9
84.02029	1.8
85.02823	100.0
86.03159	1.6
87.00744	1.2
89.02293	0.9
92.66660	1.0
97.73943	1.0
101.02314	0.9
103.00233	1.4
110.17355	0.8
110.58883	0.8
118.98069	0.9
129.01819	5.9
134.03624	4.7
142.62032	0.9
147.02907	7.7
161.23650	1.0
191.01910	21.5
192.02295	1.3
193.04965	3.1
209.02980	10.0
223.04514	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	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67733	0.4
55.01762	3.0
57.03329	12.7
59.01246	6.5
60.55618	0.4
68.99690	0.6
71.01253	4.7
71.57539	0.4
71.57908	0.8
72.99189	1.2
73.02817	0.7
75.00742	1.5
83.01273	2.2
84.02042	2.2
85.02824	100.0
86.03165	1.7
87.00772	1.7
89.02328	0.9
101.02332	1.8
103.00229	1.6
111.00045	0.9
111.00761	5.3
115.00249	0.6
129.01839	8.7
133.01297	0.7
134.03622	4.5
135.04356	0.6
147.02896	7.5
149.06065	0.6
152.43512	0.5
173.04512	0.5
179.03357	0.5
187.02548	0.7
191.01918	21.0
191.05551	1.7
192.02246	0.8
193.04953	3.0
205.03496	4.5
207.60898	0.5
209.02980	9.6
223.04544	22.8
224.04903	0.8
306.24353	0.5
374.00009	0.5
378.96915	0.5
385.07214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99930	0.5
55.01755	2.3
57.03325	15.8
59.01254	7.6
69.50501	0.5
71.01268	3.0
71.37926	1.1
72.99184	1.6
75.00751	1.3
83.01248	2.2
84.02020	2.9
85.02828	100.0
86.03152	1.4
87.00771	2.1
93.03358	1.6
95.04875	0.7
101.02325	1.2
103.00243	1.2
111.00769	2.3
121.02804	1.4
129.01851	5.4
134.03659	5.1
137.02357	0.9
139.03857	1.4
147.02892	6.1
149.02365	2.4
173.04434	1.6
191.01906	17.4
191.05553	4.0
192.02336	0.9
193.01355	1.4
193.05008	2.5
205.03456	1.6
209.02980	6.7
223.04604	5.9
224.56874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.4
58.00468	1.3
59.01252	11.3
60.42538	1.2
66.37801	1.0
67.86782	1.1
68.90439	1.1
69.03331	1.0
69.34603	2.6
69.35003	10.2
71.01258	4.0
83.04903	1.7
89.02305	5.8
91.03885	20.7
97.02818	1.7
100.06702	1.3
107.25040	1.1
109.06478	1.7
111.08039	37.5
125.58604	1.1
127.07557	1.4
132.21736	1.1
137.09537	1.4
151.11223	1.6
153.12738	2.4
159.66229	1.2
165.12766	1.9
169.12286	7.9
171.10172	3.3
181.12248	2.0
183.13847	2.4
193.12355	1.3
197.11775	96.0
198.12106	3.1
199.13327	6.4
209.11659	2.0
211.13338	9.9
225.14932	1.1
227.12819	6.4
247.20573	1.9
263.20117	9.7
265.18085	3.3
273.18582	3.7
291.19666	51.9
292.19937	3.8
309.20712	100.0
310.21008	8.6
341.10941	1.9
383.24490	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38710	1.1
59.01258	7.5
60.44733	1.1
71.01252	4.6
71.59304	2.5
78.29725	1.2
89.02319	4.2
91.03885	5.2
95.04915	1.2
97.06480	2.3
101.90437	1.1
111.08051	5.4
113.09631	3.2
115.07537	1.3
119.08562	1.2
122.73310	1.1
125.09596	1.3
127.07576	1.8
133.43936	1.1
137.09630	2.6
141.09120	2.4
151.11174	1.3
164.03206	1.1
165.12761	2.1
167.14247	2.8
171.10162	1.8
179.05385	1.4
181.12247	2.0
183.13829	1.1
193.12309	2.9
195.13858	2.5
197.11743	15.1
201.11217	2.0
211.13297	3.7
217.08577	2.2
217.45784	1.2
221.15329	3.7
245.02589	8.5
247.20634	2.9
263.20282	2.1
273.18604	1.9
291.19659	39.4
292.19992	3.9
302.06567	1.3
303.45932	1.4
303.57367	1.3
309.20709	100.0
310.20959	8.2
383.14706	1.6
383.24420	21.9
384.24533	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	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62600	0.7
55.01743	2.4
57.03330	11.3
58.00459	0.7
58.88585	0.7
59.01251	8.5
68.65463	0.7
69.71500	2.9
69.71922	1.8
71.01258	8.5
72.99189	3.6
73.88211	0.6
75.00746	2.3
81.69162	0.7
83.01261	2.5
84.02042	3.5
84.72945	0.7
85.02825	100.0
86.03145	1.6
87.00729	1.9
89.02317	2.8
92.64911	0.6
93.03332	0.9
101.02325	1.5
103.00266	1.4
111.00784	5.5
115.00258	0.8
119.76179	0.6
121.02866	1.5
128.25348	0.7
129.01831	7.9
133.01337	4.9
134.03651	4.2
139.04018	0.7
147.02890	7.0
149.02370	6.5
164.04712	7.4
179.07126	1.9
191.01897	21.6
191.05586	3.0
193.01428	1.8
193.05005	1.5
205.03461	3.7
208.03777	2.0
209.02966	46.8
210.03326	1.8
223.04265	12.9
223.06181	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	382.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01773	4.2
59.01244	4.9
66.24500	2.4
71.01259	3.4
71.58504	4.4
87.99468	100.0
88.00011	5.1
101.66670	2.6
143.03714	82.8
144.04070	3.9
183.03874	3.1
187.02715	59.5
295.69464	2.8
382.13449	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	382.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
66.69639	1.3
67.35856	1.0
68.06595	1.1
69.43546	2.5
69.43958	9.1
71.01255	1.5
82.75889	1.1
83.01276	1.3
87.99469	2.9
101.02283	1.3
102.43497	1.3
103.50707	1.2
113.02299	1.3
125.93442	1.3
143.03740	2.8
152.52386	1.3
209.73096	1.1
314.23795	1.6
323.09933	1.4
371.84940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0772
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
55.94887	0.7
59.01233	3.2
68.99694	1.3
71.01216	1.3
71.90063	0.8
74.90012	0.8
76.32771	0.9
91.72324	0.8
101.02307	1.0
113.02310	1.0
119.26591	0.9
121.02844	100.0
122.03155	3.4
147.04411	1.9
149.02347	2.4
173.02307	1.2
176.79250	0.8
180.05623	1.3
181.06467	3.2
191.03433	9.0
214.34216	0.8
225.05515	7.8
229.46222	0.9
251.07077	3.4
285.05786	1.1
291.19629	3.4
292.70038	0.9
295.06061	11.8
296.06595	0.8
309.20627	3.1
311.09256	14.1
312.09445	1.1
313.07175	20.1
314.07458	2.7
339.08728	16.0
340.08862	1.8
341.10800	1.3
383.07690	24.4
383.23514	1.5
384.07941	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41453	1.3
57.03299	1.9
59.01263	7.9
67.75493	1.3
69.03318	2.8
71.01264	1.8
71.04884	1.4
75.37386	1.2
83.04885	2.1
89.02314	2.7
91.03867	12.3
93.06928	1.3
97.02825	2.7
111.08038	35.5
122.30305	1.3
137.09636	2.9
149.05983	6.0
153.12820	1.6
157.12383	1.3
161.05936	1.4
165.12770	2.4
169.12271	6.5
171.10187	4.7
172.95305	1.3
181.12231	1.8
183.13788	1.8
197.11769	88.6
198.12132	3.6
199.13316	5.0
209.11751	3.9
211.13399	6.4
225.05437	1.7
227.12842	12.2
239.06970	1.5
240.07823	3.2
247.20619	2.6
263.20123	5.4
265.18042	3.7
273.18503	3.2
291.19662	51.3
292.19839	3.9
309.20706	100.0
310.21030	9.4
312.52469	1.3
337.17935	1.7
355.19037	2.4
383.18872	14.6
383.24072	2.8
384.18930	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.3
65.07037	0.9
69.87704	2.6
69.88120	2.6
74.80655	0.9
78.14912	1.0
78.95778	18.3
91.35975	1.0
96.96865	1.8
98.20464	1.4
110.09128	0.9
126.95311	0.9
133.41341	0.9
149.05997	1.3
151.07588	1.2
152.99495	35.1
170.05791	4.2
171.00525	1.5
174.99261	1.3
199.13368	2.0
217.00270	6.8
233.18979	1.3
251.20107	3.3
277.18082	81.0
278.18375	6.7
279.16559	1.6
279.19659	26.8
280.20029	2.7
295.19135	100.0
296.19434	9.6
363.25412	15.6
364.25888	2.4
381.26373	5.5
381.34427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.1
65.03274	0.5
69.00582	0.6
71.01250	9.2
71.37547	0.9
72.99186	3.1
73.02804	1.7
75.00748	19.3
75.33906	0.5
83.01269	1.6
83.04963	0.5
85.02825	4.2
87.00753	15.4
89.02340	4.9
91.28181	0.7
96.95911	1.1
97.90636	0.5
98.02361	2.2
99.00777	0.9
101.02319	5.0
111.00695	0.7
113.02327	2.6
115.05428	7.7
116.04929	2.9
119.03415	1.3
119.04905	0.6
121.02856	0.6
127.57812	0.5
128.04970	0.8
130.06511	8.1
131.06865	0.6
132.04451	27.7
133.02856	0.8
133.04750	0.9
135.04439	1.0
144.04451	2.1
157.05186	1.1
158.06026	100.0
159.06361	4.6
161.04582	0.8
174.05489	3.6
176.07141	0.7
177.01813	0.6
191.05548	1.1
202.05035	46.2
203.05357	2.4
220.06096	9.7
237.06117	7.8
249.06096	9.6
262.07101	0.8
377.83020	0.6
382.11438	46.3
383.11789	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	381.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.6
59.01257	18.6
64.62144	1.8
69.69759	2.7
69.70167	8.8
81.03335	3.1
83.04899	3.4
95.04900	2.3
97.02844	2.6
97.06477	18.8
98.88597	1.5
109.02831	4.2
110.03199	1.9
110.40496	1.6
111.07993	3.1
119.05061	1.9
121.02856	3.3
122.03215	2.2
123.04397	3.2
123.08060	2.6
125.09610	6.8
125.51931	1.4
135.04408	2.7
137.06036	1.8
137.09633	4.9
141.12706	2.1
149.05972	2.2
149.09607	2.5
151.11195	7.7
155.10674	2.1
161.09766	1.6
163.11183	5.9
165.12790	8.7
169.12248	2.4
173.05905	1.6
174.99178	3.9
179.10732	3.3
181.12250	7.4
185.11792	6.1
189.12834	1.7
191.10707	5.2
191.14365	11.5
207.10237	2.2
209.11778	24.3
211.13318	2.6
217.00261	17.3
217.16032	1.6
223.93306	1.8
225.11316	4.3
242.05444	2.6
243.05698	2.8
245.19073	24.8
246.19408	2.5
263.20197	7.4
267.91016	1.6
271.16818	5.0
279.19592	3.2
289.14767	3.0
289.18088	82.9
290.18475	8.2
307.19168	100.0
308.19540	11.4
339.18723	1.6
381.19525	19.8
394.83093	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	381.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.6
59.01257	18.6
64.62144	1.8
69.69759	2.7
69.70167	8.8
81.03335	3.1
83.04899	3.4
95.04900	2.3
97.02844	2.6
97.06477	18.8
98.88597	1.5
109.02831	4.2
110.03199	1.9
110.40496	1.6
111.07993	3.1
119.05061	1.9
121.02856	3.3
122.03215	2.2
123.04397	3.2
123.08060	2.6
125.09610	6.8
125.51931	1.4
135.04408	2.7
137.06036	1.8
137.09633	4.9
141.12706	2.1
149.05972	2.2
149.09607	2.5
151.11195	7.7
155.10674	2.1
161.09766	1.6
163.11183	5.9
165.12790	8.7
169.12248	2.4
173.05905	1.6
174.99178	3.9
179.10732	3.3
181.12250	7.4
185.11792	6.1
189.12834	1.7
191.10707	5.2
191.14365	11.5
207.10237	2.2
209.11778	24.3
211.13318	2.6
217.00261	17.3
217.16032	1.6
223.93306	1.8
225.11316	4.3
242.05444	2.6
243.05698	2.8
245.19073	24.8
246.19408	2.5
263.20197	7.4
267.91016	1.6
271.16818	5.0
279.19592	3.2
289.14767	3.0
289.18088	82.9
290.18475	8.2
307.19168	100.0
308.19540	11.4
339.18723	1.6
381.19525	19.8
394.83093	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02866	2.1
59.01254	100.0
69.95992	1.9
71.01261	4.9
71.45113	3.0
71.45452	3.7
73.02805	2.5
82.31727	1.9
83.01279	6.6
89.02320	4.6
89.03825	2.5
96.95880	4.7
99.00772	6.6
101.02332	3.3
111.00755	16.9
113.02368	2.9
117.03345	3.3
126.03761	3.4
133.02885	7.8
134.03667	19.0
149.05901	2.5
175.04016	2.4
177.01865	84.3
178.02185	4.2
185.05547	2.6
191.05524	2.3
193.04991	14.3
219.02913	2.2
257.76608	2.1
279.14319	5.3
299.91782	2.3
381.08267	2.5
382.10666	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19646	1.1
51.95736	1.0
55.01757	5.0
57.03325	2.8
58.00461	1.3
59.01254	36.0
61.20532	1.0
69.26857	12.8
71.01254	46.6
72.99174	3.0
73.02825	27.6
74.02399	1.3
74.03116	1.3
75.00768	1.6
83.01262	11.3
85.02825	27.6
86.02360	6.1
86.20658	1.1
87.00753	3.6
89.02319	8.9
93.06380	1.2
95.01263	3.7
96.95878	1.7
97.02825	1.6
99.00757	14.4
101.02326	55.1
102.02661	1.0
111.00762	3.5
112.00298	9.7
113.02327	21.9
113.03062	1.9
125.02363	1.7
127.00270	2.4
130.06490	1.3
131.03563	3.4
132.04477	7.2
132.72614	1.1
133.02856	10.6
135.04427	31.8
136.04765	1.4
137.02443	1.3
143.03423	2.5
144.04439	6.2
157.07625	35.0
158.06013	2.3
159.02916	4.1
159.06531	1.5
161.02368	62.3
161.04422	19.8
161.05844	2.4
162.02707	1.8
183.10194	1.1
199.05147	1.2
201.06671	3.8
204.06577	2.1
205.03401	1.6
215.12714	1.0
219.07709	31.4
220.07997	3.2
245.05588	3.1
246.85809	1.2
249.13409	100.0
250.13797	4.8
293.12735	1.8
337.11996	1.9
342.40894	1.5
363.09857	1.6
381.11093	13.4
381.17673	94.1
382.11011	2.4
382.18170	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	381.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50632	0.5
59.01241	3.0
60.16125	0.5
69.56834	4.8
71.01255	1.7
72.00779	1.2
74.02340	3.6
77.72069	0.6
81.19690	0.6
83.18104	0.5
86.02351	10.2
89.02281	0.7
92.04947	2.4
93.03317	0.7
96.95886	6.0
99.44391	0.5
100.00262	1.3
107.69355	0.5
109.02833	1.1
112.00296	12.3
121.02844	0.7
130.06534	1.7
131.03658	4.7
132.02058	0.9
132.04462	11.6
133.02856	20.5
134.03658	1.2
134.05989	1.0
135.04417	44.3
136.04765	2.0
144.04460	9.5
145.04814	0.6
146.04803	1.1
155.06055	0.5
157.07625	63.6
158.06059	3.1
158.08041	2.8
160.03912	0.8
161.02354	100.0
161.06004	2.5
162.02733	4.5
162.05551	0.8
175.08696	2.3
178.04962	1.6
179.03418	1.2
201.06705	3.7
202.05098	1.1
204.06638	2.5
219.07706	54.5
220.08112	3.5
230.04680	0.9
245.05702	4.4
270.51639	0.7
293.12946	0.9
319.10944	1.4
321.13223	0.7
332.09659	0.6
337.11926	2.3
363.09799	3.1
381.10925	23.1
381.15482	0.8
382.11252	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01266	2.0
71.58546	1.0
73.02825	1.4
83.01251	0.6
85.02819	1.5
93.03328	0.7
96.95898	14.0
101.02355	2.0
110.50444	0.6
111.00781	1.1
119.04931	1.3
131.23160	0.7
133.02881	0.9
135.04466	2.3
144.04512	0.8
148.03902	0.6
149.02550	0.6
157.07657	1.9
161.02351	3.2
161.04483	0.7
182.37831	0.6
210.88255	0.7
219.07732	2.3
224.04326	0.6
249.13467	2.8
286.07275	1.2
310.97308	0.7
316.77228	0.7
327.66473	0.7
336.07431	0.7
364.04962	0.9
381.17822	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65082	1.1
55.01757	5.9
57.03317	3.8
58.00472	1.7
59.01251	35.5
62.32662	1.1
69.03330	1.3
70.31996	0.9
71.01255	50.1
71.58251	1.0
71.58712	1.2
72.01614	1.4
72.36125	1.0
72.99182	3.7
73.02821	31.7
74.02361	1.6
75.00728	1.7
83.01254	10.1
85.02823	29.2
85.99953	1.5
86.02351	4.9
87.00765	2.6
89.02310	9.7
92.04932	1.7
95.01254	3.2
96.95906	1.8
97.02808	1.7
99.00747	12.2
101.02325	54.2
102.02646	1.8
111.00764	2.4
112.00292	6.4
113.02343	19.9
118.03494	1.1
119.03394	1.8
125.02319	1.8
127.00280	1.5
129.01816	2.4
130.06552	1.3
131.03520	3.7
131.07047	1.1
132.04439	5.2
133.02850	7.6
134.03560	1.4
135.04430	20.0
141.01813	1.1
143.03409	1.8
144.04445	4.4
157.07620	24.8
157.08817	1.9
158.05992	3.0
158.07967	1.5
159.02888	3.8
161.02364	45.3
161.04420	19.9
161.05817	1.7
162.02684	2.5
163.23805	1.0
175.08740	1.9
201.06639	2.5
204.06715	1.8
205.03534	1.3
219.07707	25.1
245.05544	2.5
249.13405	88.4
250.13689	4.8
293.12561	1.6
381.10718	9.4
381.17654	100.0
382.18030	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	379.1915
Annotation	Chlorophorin
Peak:m/z	Relative Intensity
65.03836	5.9
67.01765	6.1
70.92000	1.6
91.05444	0.8
108.02058	1.4
109.02839	32.3
110.03181	1.0
121.02842	24.7
123.04403	0.8
133.02869	1.6
135.04422	5.8
146.03625	2.3
147.04340	0.7
153.07042	0.6
157.06479	1.0
158.03625	1.7
159.04440	4.8
161.02379	1.9
169.06526	1.0
171.04433	1.7
172.05196	3.6
173.06007	4.3
174.03029	0.6
174.06750	0.6
175.07597	0.8
180.05725	1.4
181.06468	0.7
183.04443	1.9
184.05183	1.1
185.02298	1.4
185.06009	6.2
186.06772	1.5
187.07596	2.7
188.08310	1.9
196.05209	1.1
196.56699	0.6
197.06017	5.9
198.06850	1.4
199.03943	2.5
199.07518	1.4
201.05524	1.6
201.09152	1.0
209.06023	1.4
211.07605	1.1
213.05463	3.1
214.06285	1.2
215.14464	1.1
218.05811	0.8
223.07594	1.6
224.04820	2.9
225.05524	4.6
225.09050	0.9
227.03462	2.7
227.07007	0.8
228.04176	0.7
236.66447	0.6
237.05453	1.4
241.05038	30.1
242.05635	4.5
243.13927	1.5
249.05560	1.8
251.10672	0.7
253.05147	1.7
254.05841	3.8
255.06551	1.9
256.03714	0.8
257.12766	1.0
257.15454	18.1
257.18112	1.2
258.15747	1.0
263.07025	1.0
267.06616	1.7
268.07260	0.6
269.15457	25.8
270.15765	1.8
277.08829	1.4
280.60214	0.5
293.19095	0.9
295.17010	1.7
309.18692	1.7
311.20197	6.3
312.20563	0.7
317.19110	1.3
335.20154	4.1
336.20432	0.6
337.18066	13.8
337.22134	0.9
338.18527	1.4
351.19931	1.1
361.18115	7.9
377.17526	5.7
379.19128	100.0
380.19482	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	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01589	1.7
71.01261	1.6
71.58869	2.0
79.97336	1.2
96.95898	1.8
98.51857	1.1
146.15533	1.2
180.25125	1.2
340.90628	1.2
379.21280	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	380.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
78.95789	7.3
83.71502	2.7
84.21774	3.0
139.28484	2.7
140.25906	2.6
152.99481	17.0
192.56752	2.9
211.03271	2.2
217.00203	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	379.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76087	0.7
59.01248	1.3
65.03859	3.3
67.01756	2.0
69.69534	3.2
69.69946	1.1
75.72198	0.5
93.03345	0.8
96.95902	1.5
108.02089	0.7
109.02839	21.6
110.03148	0.6
121.02849	25.0
122.03651	0.9
123.04430	0.9
133.02837	2.1
135.04416	5.5
146.03604	1.9
156.05733	0.9
157.02852	1.6
157.06497	1.1
158.03627	0.7
159.04417	6.8
161.02357	2.4
161.05911	0.7
169.04907	0.6
169.06523	1.0
171.04433	1.7
172.05228	5.0
172.75043	0.7
173.05992	6.3
174.03099	1.1
174.06798	0.9
175.07581	0.9
180.05688	2.6
181.06502	1.7
183.04434	1.8
185.02394	3.4
185.05989	3.7
186.06802	0.9
187.07632	2.8
188.08272	0.8
189.09126	0.6
196.05150	1.2
197.06006	8.8
198.06757	2.4
199.03922	2.3
200.04578	1.0
201.05522	1.6
201.09091	0.9
204.04295	1.1
206.76370	0.6
209.06073	1.1
211.07561	1.1
213.05495	5.5
214.06203	1.4
215.14331	1.5
224.04735	5.6
225.05569	6.9
225.09184	2.3
226.05830	1.0
227.03470	3.3
227.07074	1.0
227.10695	0.8
237.05568	1.4
241.05029	53.2
242.05681	9.1
243.13763	0.9
249.05565	1.2
251.10596	1.2
253.04956	1.0
254.05879	1.3
255.06499	1.7
256.03766	2.3
257.15479	22.7
258.15878	1.8
265.12390	0.7
267.06592	0.9
269.15466	11.7
270.15771	1.2
277.08624	1.8
291.10385	0.9
295.17004	2.2
305.21085	1.2
309.18509	2.0
311.19940	9.3
312.20493	1.0
317.19049	2.2
322.94412	0.7
335.20203	5.8
336.20380	0.7
337.18079	7.9
338.18509	1.3
361.18073	7.5
377.17575	2.3
379.19131	100.0
380.19473	13.5
388.92645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67561	0.2
62.19418	0.2
65.00207	0.3
65.03835	0.5
67.01759	0.4
70.73998	0.5
70.74366	0.5
81.03313	1.3
83.01254	2.3
84.41773	0.2
86.36700	0.2
88.22083	0.3
90.14021	0.2
91.05448	0.3
93.03331	0.6
96.95884	0.3
107.04926	0.6
108.02052	0.7
109.02842	3.7
115.05390	0.4
121.02847	12.7
122.03745	1.3
123.04427	0.4
129.07033	0.3
131.78070	0.3
133.02841	0.9
133.06487	1.4
135.04408	1.4
143.04953	0.3
145.02843	0.4
146.03662	0.4
147.04395	0.5
148.05194	0.8
153.07019	0.4
155.08595	0.5
156.05635	0.5
157.02852	0.6
157.06497	5.9
158.03711	0.7
158.06815	0.4
159.04431	6.1
160.05107	0.3
161.06001	0.4
169.06508	0.7
171.04425	3.0
171.08107	0.4
172.05196	1.3
173.06007	4.6
177.12798	1.3
180.05675	1.0
181.06540	2.1
182.07022	0.3
183.04413	2.3
183.08043	0.5
184.05173	0.3
185.02405	1.2
185.05978	1.2
186.06729	0.5
187.03825	0.4
187.07568	1.4
188.08360	4.6
189.08934	0.7
193.06430	0.3
194.07195	0.3
195.04445	0.4
196.05183	1.0
197.06013	4.7
198.06764	1.5
199.03989	1.3
199.07567	1.5
200.04776	0.6
201.05531	4.0
202.05905	0.4
209.06070	0.9
209.09607	0.3
210.06726	0.6
211.07574	4.7
212.04742	0.4
212.08276	0.9
213.05539	4.5
214.06209	1.3
223.07578	1.1
224.04832	0.4
225.05544	3.0
225.09120	2.1
226.06190	0.5
226.09698	0.3
227.03453	1.2
227.07069	1.0
228.04105	0.2
229.15868	0.3
233.09726	0.4
236.08549	0.4
237.05486	2.0
237.09146	0.4
238.06277	0.6
239.07042	0.5
240.04407	0.4
241.05026	25.5
242.05617	2.5
243.06525	0.3
249.05595	0.3
251.10689	1.6
252.11452	0.3
253.05066	0.6
254.05721	0.5
255.06606	16.8
256.07028	1.4
257.15472	4.0
263.10590	0.3
265.12344	1.1
267.06598	2.9
269.15479	0.6
270.05554	0.3
277.08829	0.6
291.10254	0.5
293.19131	0.9
295.09772	1.0
295.17007	2.6
309.11172	1.7
309.18631	0.5
311.20108	3.6
312.20560	0.4
317.19092	3.0
335.16162	0.4
335.20151	7.8
335.23993	0.5
336.20563	0.9
337.18140	3.6
338.18323	0.3
351.19730	0.6
361.18124	4.9
362.18372	0.4
379.19128	100.0
380.19476	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	379.1913
Annotation	Norbixin
Peak:m/z	Relative Intensity
50.35050	0.3
59.01251	1.0
65.03831	0.7
67.01765	0.4
71.04887	0.4
71.16954	0.7
79.05410	1.0
79.83582	0.3
80.96395	1.8
108.02058	6.0
109.02839	1.9
119.08543	4.6
119.09325	0.5
121.02834	3.7
121.06489	4.2
128.06218	0.3
133.02858	0.6
135.04387	0.3
135.08099	0.3
145.10062	0.4
146.03670	4.4
147.04420	1.2
147.08072	0.7
148.05196	2.8
158.03654	0.4
159.04436	2.0
160.05211	0.7
163.07559	100.0
164.07906	4.8
172.05211	10.3
173.05766	0.5
188.08232	0.5
189.09164	0.5
213.11218	0.4
213.83122	0.3
215.10728	29.8
216.11072	1.9
239.07124	0.4
243.17484	0.8
253.05006	0.5
257.15463	3.9
267.06616	1.5
269.15536	0.5
287.16541	1.5
305.17560	2.4
379.19110	41.4
380.19458	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	379.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94240	0.9
59.01273	1.9
63.33329	0.9
70.42118	0.8
71.59314	1.2
73.97353	1.0
81.03327	2.3
93.03335	1.8
96.95889	2.3
107.84020	0.9
109.02848	3.7
115.74189	0.9
118.17998	0.9
119.04915	1.7
121.02847	12.2
122.03596	0.9
126.82182	0.8
133.02850	1.0
133.06493	1.5
135.04459	1.5
157.06485	6.6
159.04425	7.1
161.02397	1.2
171.04312	1.9
172.05280	1.3
172.39397	1.0
173.06020	6.9
177.12752	1.4
181.06499	2.7
183.04437	2.5
185.02351	2.0
185.05919	1.6
187.07454	1.5
188.08344	2.9
189.05470	1.7
197.06081	5.8
198.06841	0.9
199.03954	1.0
199.07503	1.2
201.05518	4.6
203.07077	1.3
210.06706	1.3
211.07570	2.3
213.05524	6.0
214.06285	2.9
223.07571	1.0
225.05484	3.6
225.09134	3.7
227.03435	2.2
237.05591	1.5
238.06293	1.0
241.05028	32.8
242.05666	4.2
251.10585	2.0
255.06557	7.7
257.15479	5.3
267.06622	4.2
283.13330	1.1
295.17050	4.4
310.12024	2.4
311.20200	3.2
317.18936	4.7
335.20190	11.5
336.20499	1.2
337.18130	5.2
361.18030	7.7
362.18729	1.3
379.19104	100.0
380.19437	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	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03309	0.9
58.00466	1.1
59.01254	28.0
68.69987	0.6
71.01253	15.0
71.58193	0.8
72.99174	1.5
73.02808	2.6
75.00743	0.9
80.96358	0.6
83.01259	1.4
85.02821	3.7
87.00742	2.2
88.62592	0.6
89.02317	10.2
93.03310	1.0
95.01279	1.4
99.00754	1.5
101.02322	9.9
111.00760	0.6
113.02342	4.2
119.03377	3.6
120.97765	0.6
125.02385	0.6
125.09644	1.1
127.11159	0.9
137.09616	2.5
143.03326	0.7
155.10683	34.3
156.11032	0.9
161.04512	0.7
170.22470	0.6
171.10185	21.1
172.10510	1.1
173.11742	2.5
178.58098	0.7
181.08548	0.8
185.11743	1.8
191.05511	1.8
199.09729	10.2
200.10121	0.8
201.11264	2.7
213.11229	6.9
217.10767	54.2
218.11143	3.5
223.09842	0.9
231.12305	0.9
233.06718	1.3
247.12019	0.8
259.11829	10.3
263.39029	0.7
285.08759	1.9
287.67242	0.6
319.14035	1.4
361.14920	1.3
379.16074	100.0
380.16428	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.03322	2.2
58.00465	3.6
59.01254	81.3
66.15809	1.2
71.01257	56.4
71.58500	1.6
71.58958	2.1
72.99172	5.7
73.02824	21.0
75.00780	1.7
83.01261	2.9
84.40295	1.3
85.02827	14.6
87.00753	4.0
89.02322	59.2
95.01269	6.1
99.00761	67.4
101.02321	24.0
113.02335	28.1
114.25294	1.3
119.03384	14.3
130.85739	1.8
131.03374	9.4
135.04440	1.8
141.21899	1.3
143.03355	3.9
149.04474	25.9
155.10672	27.7
161.04491	13.5
171.10172	19.5
173.11765	3.0
179.05530	4.4
191.05553	30.4
199.09721	11.3
201.11330	1.8
213.11279	4.1
216.25606	1.7
217.10762	46.8
218.11174	2.0
233.51343	1.4
247.11893	2.6
248.09195	2.5
259.11871	5.5
285.08740	4.3
361.14520	2.3
379.16049	100.0
380.16510	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	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.30551	0.7
55.01747	1.3
55.95254	0.7
57.03316	1.5
58.00460	3.6
59.01250	88.0
59.53739	0.7
60.01565	0.9
63.10383	0.8
63.43396	0.7
71.01255	61.9
71.44509	1.0
71.44827	1.0
72.01595	1.0
72.99169	4.1
73.02819	30.5
75.00707	0.9
81.42316	1.1
82.94327	1.1
83.01246	3.1
85.02825	15.9
87.00742	2.5
89.02319	73.4
90.02647	1.6
95.01252	5.5
96.95883	1.4
99.00757	100.0
100.01111	2.2
101.02323	30.2
113.02332	47.1
119.03390	17.8
119.30422	0.9
125.02366	1.4
131.03401	16.5
143.03391	5.4
149.04463	35.6
150.04811	1.0
155.10655	1.3
157.08617	2.7
161.04474	22.2
162.04846	1.3
170.26050	0.8
175.03322	0.8
179.05554	8.8
187.52762	0.8
191.05547	38.7
192.05957	1.0
217.10841	2.5
233.06581	4.0
247.11761	2.9
285.21417	0.8
319.14075	1.6
379.11844	1.5
379.16071	34.5
380.16397	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	379.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35126	0.7
59.01252	8.7
71.01243	2.9
71.57924	0.7
73.02815	0.7
85.02832	1.6
87.00731	0.8
89.02319	1.2
92.88556	0.6
93.03309	1.3
95.04833	0.7
96.95889	1.9
101.02317	2.3
108.02042	1.5
109.02843	8.6
113.02328	1.5
115.07435	0.7
117.03310	0.8
121.02835	2.9
123.04413	3.3
132.04468	1.3
133.02850	6.1
135.04396	2.4
136.04019	0.8
144.04440	5.1
146.02357	2.0
147.00775	2.2
147.03166	10.8
149.02400	0.7
154.05257	1.3
158.06013	1.2
159.05489	0.9
160.03951	2.1
161.02354	1.6
161.04424	1.4
161.06024	1.0
164.03448	3.0
169.04001	4.0
171.05577	1.1
175.03926	0.8
183.05553	1.3
185.03506	2.1
186.05582	3.9
191.05547	1.4
194.06017	1.8
196.07578	2.6
198.04277	29.3
199.05051	13.1
200.05333	1.1
203.04578	1.4
208.07654	5.8
209.06012	1.7
211.05025	2.1
218.06067	2.8
224.07150	2.9
227.07089	1.8
234.05478	1.3
235.06401	1.4
236.07152	15.7
237.07571	1.0
246.05539	5.6
247.06367	2.5
252.06613	4.5
261.06683	0.9
262.05121	1.7
263.05869	3.8
264.06647	12.9
265.07108	1.9
266.08231	2.0
279.07693	1.9
280.05936	1.3
289.06351	0.8
306.06369	1.5
307.07251	73.4
308.07587	6.8
317.09500	1.3
319.17670	1.7
333.08719	1.6
335.10379	16.6
336.10791	2.2
379.09348	100.0
380.09720	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	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	6.2
59.01253	100.0
61.09544	4.5
69.29685	55.0
71.01251	54.4
72.99197	5.6
73.02827	30.5
83.01243	6.8
85.02813	16.9
87.00770	5.6
89.02320	44.0
96.95910	13.9
98.20620	8.9
99.00751	35.4
101.02325	32.5
104.08413	4.4
113.02344	32.4
119.03443	4.9
125.02327	8.1
128.03453	14.4
137.02341	9.0
137.55844	5.1
149.04448	10.7
155.10632	14.5
157.08597	17.9
161.04437	12.1
191.05539	14.0
215.75058	4.7
217.10780	36.6
217.95164	5.2
247.11819	11.0
379.16125	26.9
379.23453	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
70.92245	15.6
70.92612	16.1
71.01262	10.6
71.73692	6.9
75.13293	7.9
87.23495	7.6
96.95862	7.7
112.09808	8.0
115.50348	7.8
155.02310	7.5
201.38658	7.5
211.13316	13.4
277.95996	7.4
290.75647	6.5
341.10956	9.5
361.67990	7.5
377.14020	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	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75710	0.6
59.01252	23.8
69.03341	0.8
70.60671	1.8
70.61033	0.9
78.61936	0.7
86.21393	0.6
95.04912	1.1
125.09628	1.6
141.09212	0.7
141.12714	1.2
151.11215	2.0
155.79343	0.6
171.10187	33.7
172.10570	1.5
209.07915	1.3
219.98250	0.7
249.22057	1.6
253.09341	0.7
277.21732	39.8
278.22028	4.1
295.22784	100.0
296.23166	9.7
317.20990	30.3
318.21338	3.0
333.22815	0.8
335.20737	1.4
361.20007	3.6
377.22791	18.8
378.22644	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	378.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66223	0.4
54.33672	0.5
59.01254	100.0
60.01583	1.1
71.01247	1.0
71.58987	0.7
71.59384	0.6
71.97593	0.5
73.02823	0.5
75.00738	0.7
75.15353	0.6
82.04597	0.5
94.84147	0.5
99.70306	0.5
135.08017	1.2
146.04514	0.6
146.61052	0.5
148.46590	0.6
287.16644	1.3
290.67584	0.6
305.17786	1.4
332.92429	0.5
378.15109	0.7
379.21451	0.9
402.23352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80911	0.3
59.01252	100.0
60.01592	1.2
61.35670	0.3
69.63720	1.1
69.64130	1.3
71.01254	1.0
73.02802	0.3
96.95879	0.3
101.02335	0.5
102.31442	0.4
115.35384	0.4
214.79034	0.4
276.10971	0.6
342.52042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70044	0.6
59.01253	100.0
60.01584	1.6
71.01261	1.7
72.99160	0.6
73.02853	0.8
80.68964	0.5
83.37142	0.6
85.02805	0.6
88.37590	0.6
88.55749	0.6
89.02319	0.7
93.03343	0.6
95.71869	0.6
96.95898	1.4
101.02348	1.6
113.02354	1.2
117.03353	1.6
123.04383	0.7
132.04466	1.1
133.02849	1.0
135.04436	1.7
149.02296	0.7
153.00262	0.5
153.09242	0.5
161.02357	2.4
161.06041	0.9
173.04465	1.1
175.04024	0.9
183.44885	0.6
198.04279	1.2
204.06694	0.7
236.07115	0.8
246.04265	0.8
250.64064	0.6
276.10980	0.8
297.60867	0.6
307.07309	2.4
335.10455	1.2
336.17612	0.9
378.19022	1.9
378.26135	0.6
379.09079	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	377.176
Annotation	Mulberrofuran L
Peak:m/z	Relative Intensity
52.03457	0.7
54.92962	0.8
59.01250	2.6
59.35090	0.7
61.98706	2.4
66.84739	0.8
68.65447	0.7
70.82124	2.3
90.57883	0.7
93.03341	1.1
96.95895	1.7
99.01914	0.7
114.31073	0.8
157.02885	1.0
177.12737	2.1
185.40520	0.8
198.03337	0.9
199.03906	2.6
203.68925	0.7
211.07541	1.4
225.05534	8.1
226.06294	9.1
230.88910	0.8
240.04280	1.8
241.05060	2.2
246.07271	0.8
249.09244	1.1
253.05049	8.8
254.05798	13.8
255.06569	3.6
265.05112	4.1
265.14764	1.8
266.05811	1.0
267.06674	1.5
286.04800	3.2
293.08224	2.0
295.22781	1.1
295.94073	0.8
307.09784	1.5
308.10297	1.0
316.56171	0.9
341.10690	1.2
377.17578	100.0
378.17926	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	377.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03313	0.5
59.01252	100.0
60.01592	0.8
60.27563	0.3
69.36331	0.9
69.36758	1.9
71.01254	8.9
71.28415	0.3
72.99196	0.3
73.02814	2.0
83.01263	1.5
85.02828	6.1
87.00771	0.6
88.07559	3.9
89.02326	2.6
95.01266	2.2
97.02827	0.3
99.00740	1.4
101.02323	5.2
113.02331	7.6
114.05488	3.9
125.02380	0.6
132.06573	0.5
143.03421	0.9
159.02997	0.4
161.04466	2.5
173.12869	14.6
174.13272	0.5
184.09671	0.3
192.06677	0.3
226.88612	0.3
232.11853	3.5
250.12881	2.4
254.47325	0.3
258.09863	1.0
276.10892	1.4
317.17166	9.9
318.17569	0.9
335.18207	6.6
336.18512	0.4
377.19107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55735	0.2
57.03323	1.9
58.00474	0.2
59.01247	0.9
67.24296	0.2
69.03335	0.3
69.39463	1.6
71.01240	0.4
73.02810	0.4
83.04945	0.2
87.04395	0.9
97.06470	0.5
99.08018	0.3
100.35780	0.2
106.12390	0.2
109.06471	0.6
111.08047	0.3
113.09603	0.5
123.08061	1.2
135.04462	0.2
135.08041	0.6
138.06770	0.3
139.11211	1.0
141.09126	0.4
141.12749	0.9
151.00322	0.2
151.11188	0.2
153.09111	0.6
157.12251	2.1
169.12294	1.3
185.11763	2.4
187.13161	0.2
213.11229	0.3
214.12129	0.2
215.12820	1.6
217.00294	0.4
251.20158	0.4
283.16095	0.2
285.65472	0.2
293.21323	0.2
311.22437	0.6
315.78082	0.2
327.21689	0.6
327.25327	0.5
329.23288	3.0
330.23792	0.3
339.25418	0.6
355.24789	0.3
357.26434	3.6
358.26923	0.3
371.24365	0.2
373.25931	3.0
374.26370	0.5
375.27505	100.0
376.27841	10.1
376.32764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1426
Annotation	Go 6976
Peak:m/z	Relative Intensity
52.05138	0.6
64.89156	0.6
65.10332	0.6
71.57875	0.6
77.29298	0.6
77.98672	0.6
99.92461	82.7
100.92483	3.6
100.93217	1.5
115.91114	1.3
115.91961	42.6
116.92744	100.0
117.92768	5.0
277.21692	1.2
282.05612	0.7
290.06058	1.0
299.05655	0.9
308.07166	2.3
309.07809	0.8
315.13959	1.0
333.15237	1.1
333.24625	0.7
359.13309	1.6
373.11032	3.2
374.11520	0.8
377.14240	42.4
378.14462	7.1
391.12277	3.8
392.12714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97248	0.2
57.03328	1.8
58.00459	0.4
59.01246	0.4
69.03310	0.4
69.35260	0.9
69.35690	1.2
71.04892	0.3
73.02813	0.4
82.86613	0.2
87.04393	1.4
97.06467	0.9
99.08051	0.3
109.06463	0.6
111.08023	0.4
113.09599	0.3
118.15839	0.2
123.08030	1.4
125.09638	0.3
135.08043	0.4
139.11206	0.7
141.09106	0.5
141.12758	0.7
151.04140	0.2
153.09120	0.7
157.12256	2.0
169.12259	1.2
185.11752	2.6
215.12903	1.8
251.20158	0.5
268.78882	0.2
269.21136	0.2
285.20856	0.3
311.22272	0.7
327.21677	0.4
327.25320	0.6
329.23325	3.4
339.25336	0.7
357.26443	4.2
358.26913	0.5
373.25964	2.6
375.27502	100.0
376.27866	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	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08625	0.2
56.72491	0.2
57.03332	1.6
58.00462	0.5
59.01233	0.5
69.03323	0.3
70.92036	0.4
71.01259	0.2
71.04897	0.2
73.02819	0.6
74.63194	0.2
77.54308	0.2
83.20825	0.2
85.02851	0.2
87.04386	1.0
97.06467	0.8
101.02309	0.2
109.06479	0.6
111.08053	0.2
113.09601	0.4
123.08047	1.1
125.09642	0.3
135.08023	0.4
137.09555	0.2
138.06757	0.4
139.11154	0.6
141.09125	0.5
141.12766	0.7
144.32281	0.2
151.11217	0.3
153.09116	0.6
155.10701	0.3
157.12245	2.0
162.41890	0.2
169.12228	1.3
171.13809	0.2
185.11771	2.7
199.13364	0.2
215.12859	1.3
251.20134	0.4
269.21365	0.2
285.20508	0.2
293.21393	0.3
311.22290	0.7
312.70737	0.2
327.21982	0.4
327.25357	0.6
329.23322	3.1
339.25378	0.6
357.26450	4.0
358.26761	0.3
373.25940	3.1
374.26208	0.3
375.27505	100.0
376.27841	9.5
376.32678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	6.6
59.00993	2.3
59.01253	32.2
61.98697	2.3
64.47291	1.8
64.65824	1.5
71.58391	2.2
73.19395	1.5
80.96400	1.5
90.07907	1.4
91.18836	1.4
113.09619	22.3
119.14380	1.5
121.06468	2.7
121.10112	2.0
132.80042	1.7
135.04379	3.6
142.75049	1.7
149.09618	1.6
156.17381	1.4
161.02319	1.7
167.10652	3.4
171.10178	5.6
177.12692	1.7
179.10690	2.4
195.13872	3.7
201.01643	2.1
217.00246	5.7
242.30171	1.6
247.20888	1.7
249.11136	2.7
255.00412	1.9
272.14172	1.6
275.20190	8.0
293.21228	89.1
294.21542	8.7
315.19406	93.1
316.11215	2.1
316.19699	6.4
317.12234	3.6
331.13824	5.2
345.15308	24.7
346.15594	5.5
375.07031	3.7
375.19998	100.0
376.20416	11.3
378.15161	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.4
59.01243	1.7
69.03348	0.4
69.47120	2.3
71.01254	0.7
73.02802	0.6
83.04900	0.3
85.02809	0.4
87.00764	0.3
87.04395	1.0
88.68417	0.3
95.04912	0.3
96.95869	0.3
97.06456	0.9
101.02367	0.3
109.06479	0.6
111.08044	0.4
113.09607	0.4
123.08055	1.6
135.08102	0.6
139.11182	0.8
141.09155	0.3
141.12807	0.5
153.09142	0.9
155.39586	0.3
157.12244	2.0
169.12251	1.5
171.10173	0.5
171.13857	0.4
172.26370	0.3
185.11761	2.8
215.12828	1.0
251.20053	0.3
277.15240	0.3
327.21732	0.5
327.25266	0.5
329.23322	3.1
330.23572	0.4
339.25583	0.5
357.26468	3.7
373.25967	3.3
375.27502	100.0
376.27859	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08493	0.6
52.31740	0.6
56.64593	0.7
57.03353	1.5
57.09381	0.6
58.43340	0.5
59.01250	14.7
70.65260	2.2
79.95646	0.8
97.06511	1.3
114.64256	0.6
123.08102	1.0
125.09617	4.3
139.11282	0.8
141.12785	0.8
149.09610	1.8
185.11737	11.0
186.12059	1.0
197.11778	3.0
198.90631	0.7
209.07896	0.7
217.00259	2.5
238.62437	0.6
247.20683	1.4
249.22142	0.8
254.69385	0.7
293.21228	100.0
294.21548	9.3
315.19400	31.8
316.19739	3.1
317.12320	3.0
331.13791	3.5
345.15259	18.4
346.15811	2.9
348.10059	0.8
359.16727	1.5
375.19971	60.6
376.20334	7.3
378.14914	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	43.0
63.37698	0.9
71.18848	2.5
73.08882	0.9
95.04895	3.5
99.92471	1.3
117.00292	1.1
121.10114	26.7
122.10396	1.3
125.09626	1.4
127.11204	1.1
149.09631	1.8
159.01337	1.1
171.10188	59.6
172.10481	2.3
174.99220	1.3
183.13847	2.3
185.11719	2.3
200.63890	0.9
207.10069	2.3
217.00253	4.3
231.21129	5.9
253.09302	2.8
275.20157	100.0
276.20505	8.0
278.11337	11.5
281.59802	1.2
293.21228	76.4
294.21658	7.2
297.18359	2.1
313.02838	1.0
315.19412	38.4
316.19745	4.3
329.17148	2.1
359.18372	5.2
361.44418	1.1
375.06833	1.3
375.21219	28.5
376.20959	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84753	0.8
70.33767	3.1
73.01531	0.9
74.98949	1.9
88.07545	0.7
92.99994	1.2
96.29231	0.7
98.22574	0.8
129.84924	0.7
159.08409	9.2
161.06284	3.3
164.89780	0.9
209.01183	2.1
217.07108	1.2
277.07477	1.9
289.07480	1.9
291.09103	91.3
292.09256	10.6
309.10052	1.8
357.13745	2.2
359.15341	100.0
360.15527	15.8
375.18491	4.9
377.16547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.7
66.52248	0.5
67.16245	0.6
69.27104	5.7
71.01253	13.2
98.19815	0.8
99.92488	1.1
103.76434	0.5
112.28219	0.5
127.07558	1.4
128.36752	0.5
151.07542	0.5
153.01627	0.7
160.78590	0.5
164.08315	1.3
174.99216	2.3
177.09184	4.6
190.09924	2.8
191.10466	0.5
192.11469	9.7
193.12045	1.1
203.39107	0.5
205.12267	3.8
207.13860	2.1
210.44336	0.5
217.00275	8.2
218.09454	2.4
220.14644	42.4
221.15414	100.0
222.15755	7.3
235.13342	2.2
235.15472	0.6
236.10501	93.6
237.10863	7.6
264.08569	1.0
275.16440	0.6
292.11661	0.8
293.17606	38.4
294.17914	4.2
316.35910	0.7
318.09497	6.6
319.09717	1.1
321.15482	2.1
335.13501	0.6
375.06940	0.6
375.17831	6.5
375.54163	0.6
376.17944	0.9
382.48187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62880	8.1
58.00453	11.7
59.01257	100.0
59.28901	7.9
63.54090	8.1
70.04919	22.2
70.05348	29.9
71.01249	89.4
72.99174	13.5
85.02837	27.5
87.00769	11.2
89.02325	99.4
101.02341	38.4
113.02332	26.0
119.03410	44.4
121.02905	12.0
123.00696	12.1
125.02324	9.0
133.02869	9.2
134.03703	10.4
135.04460	11.2
145.02914	55.4
146.03600	12.2
147.04404	12.8
153.01836	29.9
161.02325	76.6
162.03157	70.7
171.76637	7.9
172.70050	8.3
177.05466	41.4
179.05527	10.7
180.04184	11.8
181.73727	8.4
195.06607	29.8
271.40799	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	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07487	0.2
50.74860	0.2
59.01244	1.8
70.87041	0.4
70.87430	0.5
82.57846	0.2
97.84424	0.2
100.07565	0.4
101.05948	1.0
114.71320	0.2
120.96537	0.2
124.07555	0.8
165.10217	0.3
174.99138	0.6
189.10355	0.5
199.16824	0.2
205.12239	0.2
217.00240	2.8
232.10889	10.0
233.11137	0.7
272.17706	0.4
282.69040	0.2
289.17908	1.8
290.18741	2.7
290.39920	0.2
316.16681	1.6
318.18213	0.6
320.11298	0.3
330.21399	0.3
352.66830	0.2
358.21286	0.8
374.24478	100.0
374.99274	0.2
375.06866	0.4
375.24783	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	373.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16977	0.3
57.03320	1.7
58.00446	0.7
59.01257	2.1
69.24325	3.7
71.01247	1.2
71.04894	0.4
73.02816	1.4
79.00814	0.4
82.89407	0.3
83.43633	0.3
85.02826	0.9
87.04375	1.0
88.44447	0.3
89.02286	0.4
97.06466	0.9
101.02349	0.6
109.69019	0.3
121.10107	1.0
123.08037	1.3
125.09650	1.6
127.07584	0.4
127.11163	0.6
133.91141	0.3
137.09651	0.6
139.11176	1.4
141.09055	0.4
141.12755	0.9
155.10690	0.9
157.12245	1.3
167.10701	0.3
169.12247	1.7
171.10179	2.4
185.11743	5.2
197.11688	0.5
199.13277	0.3
201.11281	1.3
211.06326	0.4
213.11234	0.5
214.12054	0.4
215.10925	0.5
215.12856	7.3
215.14943	0.4
222.29950	0.3
229.14369	0.5
236.32260	0.3
265.18124	0.4
289.46808	0.3
295.22656	0.3
307.22964	0.4
311.22147	0.5
313.23776	1.7
325.23865	1.7
327.21814	0.6
329.23325	0.4
341.23297	1.0
343.21017	0.6
343.24908	7.9
344.25256	0.6
355.24896	3.8
371.24304	1.5
373.25943	100.0
374.21490	0.7
374.26245	11.4
381.33212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	oscr#24
Peak:m/z	Relative Intensity
53.67408	0.2
53.67718	0.2
57.03332	1.6
58.00463	0.6
59.01257	3.7
60.40835	0.3
66.56071	0.3
69.03342	0.3
71.01254	0.9
71.04907	0.5
73.02823	1.2
75.24068	0.3
76.72723	0.2
79.43423	0.2
85.02824	0.9
87.04385	0.9
97.06478	1.0
101.02314	0.4
109.06451	0.4
111.08057	0.3
113.02305	0.3
121.10112	1.6
123.08040	0.9
125.09598	1.1
127.07562	0.3
127.11192	0.3
137.09604	0.5
139.11215	1.3
141.12737	0.7
152.04738	0.3
155.10681	0.5
157.12292	1.9
167.10612	0.3
169.12285	1.3
171.10170	1.8
171.13786	0.3
185.11743	4.3
187.74345	0.4
196.03784	0.4
199.13373	0.4
201.11357	0.3
213.11311	0.4
215.10916	0.5
215.12851	8.0
216.13135	0.7
225.14899	0.3
265.18057	0.4
267.19586	0.3
271.19150	0.3
285.20749	4.2
286.21094	0.4
295.22879	0.5
297.24225	0.4
307.22748	0.8
309.24268	0.3
311.22290	0.9
313.23837	2.9
314.24469	0.4
319.30658	0.3
325.23868	4.7
326.24316	0.6
327.21707	0.3
327.25357	0.5
337.23975	0.6
341.23425	0.9
343.24887	6.2
344.25177	0.8
355.24896	3.1
356.24728	0.4
371.24478	0.9
373.25943	100.0
374.26282	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	373.2596
Annotation	oscr#24
Peak:m/z	Relative Intensity
51.61460	0.3
53.87292	0.3
57.03306	0.9
58.00458	0.5
59.01234	1.2
71.04871	0.4
73.02806	0.6
84.89178	0.3
85.02814	0.7
87.04390	0.9
87.24577	0.3
97.06482	0.8
107.04928	0.4
109.02828	0.3
117.03338	0.3
121.02848	0.4
121.10129	1.0
123.08057	1.0
125.09602	1.1
127.11219	0.8
136.01604	0.4
137.02357	0.3
137.09517	0.4
139.11197	1.6
141.12738	1.1
148.05168	0.4
151.03979	0.7
155.10701	0.9
157.12248	1.3
159.04434	0.4
161.02347	0.8
166.02667	0.3
169.12277	1.1
171.10136	1.0
174.03146	0.4
175.03973	0.5
181.05002	0.5
184.05153	0.4
185.11749	4.5
187.04018	0.5
188.04700	0.4
189.01854	0.4
196.03662	0.6
197.11848	0.4
199.03976	0.6
200.04785	0.4
201.11276	0.6
213.05534	0.5
213.11304	0.6
214.12086	0.6
215.12820	8.9
216.13258	0.4
217.01302	0.6
217.91563	0.3
227.03560	0.4
229.08765	0.5
229.12366	0.5
231.10190	0.3
241.08685	0.4
243.03020	0.5
243.10361	0.4
245.11824	0.3
257.08173	0.4
258.05341	0.5
259.09760	0.7
269.11789	0.7
283.19153	0.4
285.11319	0.4
286.08344	0.7
297.11346	1.2
302.71368	0.4
307.22806	0.5
313.10876	2.0
313.23880	1.5
323.08841	0.4
325.23862	1.8
329.13995	1.4
341.10272	0.5
341.23315	1.3
343.24847	8.4
344.25357	0.8
353.23172	0.5
355.24933	2.6
356.25314	0.5
371.24475	1.6
371.28558	0.3
372.24606	0.4
373.13260	1.7
373.25931	100.0
374.26324	12.5
384.95914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.8
59.01258	2.1
69.03326	1.3
70.03129	0.4
70.03462	1.9
70.30040	0.3
71.01258	0.8
71.32367	0.3
72.42619	0.3
80.47665	0.3
83.04902	0.7
84.98348	0.4
85.02835	1.1
87.00806	0.4
87.04396	0.4
96.95902	3.1
97.06491	1.0
109.06469	0.5
119.04922	0.8
121.02832	3.6
123.04409	0.4
123.08031	0.5
125.09650	0.4
127.07539	0.4
132.99556	0.4
135.04402	0.9
139.11183	1.4
151.00415	0.5
151.03876	1.1
155.14046	0.4
163.03972	0.5
165.01837	1.7
171.10080	0.8
183.13826	1.3
185.11777	6.7
196.03676	0.8
199.13351	0.9
204.13824	0.4
221.15428	0.8
225.08018	1.0
225.15016	1.9
231.52269	0.4
243.16101	0.5
258.27255	0.4
265.18143	0.8
271.83163	0.4
285.20694	12.4
286.21021	0.8
288.19476	0.7
295.22693	0.4
297.21310	0.5
297.24405	1.5
307.22534	0.7
311.22299	1.6
313.23831	4.8
314.24521	0.4
325.23831	11.5
325.27548	0.8
326.24191	1.0
327.25439	1.1
337.23914	0.9
343.24890	1.5
355.24792	1.1
373.16376	2.4
373.25934	100.0
374.26407	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	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.8
58.00466	1.8
59.01257	9.2
69.03339	0.9
71.01254	4.9
73.02835	0.9
85.02861	1.0
85.06473	1.8
87.00745	1.3
87.04376	1.0
93.03291	1.0
95.04876	1.5
97.06467	8.0
98.20654	1.8
99.00795	0.9
101.05959	3.0
108.02080	0.8
109.02787	1.4
109.06485	10.3
111.08061	1.4
116.15981	0.9
121.06505	2.2
123.08029	3.1
125.06010	2.0
125.09615	27.5
127.07547	100.0
127.11195	3.2
128.07870	2.8
135.04379	1.3
136.01541	1.3
137.02295	1.3
139.07550	5.3
139.11169	1.2
141.09129	2.0
151.03914	3.9
152.01096	1.2
155.10684	1.5
157.08672	0.8
161.02345	1.2
167.06982	0.9
171.06544	36.6
171.10190	20.7
172.06938	0.9
185.08095	3.0
185.11800	1.2
187.09694	22.2
196.03667	2.6
201.11278	33.9
202.11523	1.0
203.09187	2.0
209.08150	1.0
211.06105	2.2
211.13426	0.9
221.08174	1.1
229.27496	0.9
243.02998	2.1
251.16484	1.4
257.17560	8.1
267.16086	1.3
275.16528	0.9
285.17065	1.0
285.20660	1.7
286.04742	1.8
293.17679	4.3
311.18582	1.2
313.23889	1.4
325.23859	0.9
337.16476	2.6
343.24768	3.5
355.11749	1.2
355.17755	1.2
355.24857	2.0
373.12692	3.7
373.18610	12.8
373.25949	49.4
374.19305	1.1
374.26245	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	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01757	1.0
57.03330	1.1
59.01254	100.0
60.01596	1.1
68.11868	0.5
69.53329	1.4
69.53745	3.5
71.01257	14.1
72.99213	0.6
73.02817	5.1
80.10769	0.6
83.01287	1.6
85.02816	5.8
87.00787	1.5
89.02316	3.3
95.01288	1.0
95.20641	0.5
95.71311	0.7
96.95913	1.4
97.02886	0.7
99.00789	1.8
101.02333	8.9
109.02865	0.6
113.02325	5.0
119.03385	1.2
124.86453	0.6
135.04443	0.9
137.02342	1.2
151.03972	2.0
152.04736	1.0
159.02979	0.8
161.02232	0.6
161.04491	3.4
196.03784	1.9
211.06117	1.1
246.43251	0.7
373.12692	0.7
373.17307	1.3
373.26120	1.9
382.27887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1657
Annotation	Liliflone
Peak:m/z	Relative Intensity
59.01259	1.1
59.43559	0.5
59.97144	0.5
65.03828	2.1
68.14899	0.5
69.06049	0.5
71.59429	0.9
72.80413	0.5
73.53132	0.6
80.80367	0.5
87.04388	0.6
91.05411	11.7
93.03321	3.0
103.84879	0.5
105.14866	0.5
105.80795	0.5
109.02840	14.3
121.02853	7.3
122.03648	0.9
122.61984	0.6
135.04422	100.0
136.04741	3.6
137.05966	0.9
140.75053	0.5
147.04440	1.4
148.05202	7.5
159.04408	2.0
163.07568	12.0
215.10692	0.8
225.11305	1.2
233.11858	3.6
251.12886	20.7
252.13269	1.7
373.16513	19.6
373.21155	1.1
373.25922	1.5
374.16803	2.3
381.42548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22025	0.7
70.32499	1.9
70.32857	1.5
71.01247	0.8
81.03333	1.4
85.02803	0.8
85.80055	0.7
92.51786	0.9
109.02839	1.8
123.00826	0.9
123.04407	15.8
124.01590	2.5
135.04419	1.6
136.01540	1.4
137.02345	35.9
138.02716	1.7
139.03908	3.6
150.03152	1.0
151.03918	51.7
152.04715	47.4
153.05042	1.3
167.07016	6.8
177.01846	2.9
178.02638	4.1
191.05542	2.1
193.04985	3.2
195.02890	7.5
196.03708	100.0
197.04051	4.3
211.06067	81.3
212.06432	4.7
265.66968	0.7
286.61664	0.8
346.01630	0.8
358.09045	11.8
373.11401	34.0
374.11639	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	373.1139
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
71.01243	1.4
79.05405	0.4
79.59484	0.5
81.03329	2.1
86.09573	0.5
95.04904	1.0
107.04923	0.9
108.02039	1.4
109.02795	2.7
122.03633	0.9
123.00760	1.4
123.04413	35.2
124.01538	4.1
124.04738	1.3
133.02852	1.8
135.04453	1.2
136.01541	2.2
137.02348	60.0
138.02686	1.5
139.03886	3.1
150.03134	1.8
151.03918	85.3
152.04707	60.1
153.05049	1.7
167.03400	1.4
167.07057	11.1
177.01830	2.9
178.02647	3.2
193.04982	3.4
195.02913	9.7
196.03709	88.7
197.04037	3.0
211.06065	100.0
212.06390	6.3
229.18575	0.5
268.99176	0.6
286.41266	0.7
358.09070	25.9
359.09372	2.2
359.44641	0.5
373.11392	62.7
374.11713	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	371.2437
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
57.03316	1.2
58.00447	0.4
59.01252	2.9
61.77334	0.3
69.03326	0.4
69.42834	0.6
69.43253	2.1
71.01252	0.5
71.04890	0.7
73.02810	1.4
79.50070	0.3
83.04900	0.4
85.02831	0.8
87.04372	1.1
93.06967	0.8
97.06473	1.4
101.05960	0.4
103.30712	0.3
109.02824	0.7
111.08039	0.4
113.05938	0.4
119.04924	0.5
121.02888	0.5
122.65017	0.3
123.04417	0.3
123.08030	1.5
125.09618	3.1
135.04436	2.2
137.09596	0.8
139.07559	0.3
139.11163	1.3
141.09096	0.5
141.12762	1.1
143.10660	0.6
149.09587	0.3
151.11203	0.7
151.67784	0.3
153.09122	0.8
155.10667	0.5
163.00258	0.6
169.12250	0.8
171.10188	11.6
172.10403	0.3
185.11748	1.2
191.05382	0.3
197.11818	0.4
200.10469	0.5
206.45100	0.3
209.02887	0.4
213.05638	0.3
215.12798	1.0
227.12769	0.6
228.13742	0.6
241.14549	0.4
269.17450	0.3
311.22302	1.1
323.22293	0.9
341.23294	6.6
342.23535	0.9
353.23306	2.0
364.21841	0.3
369.22913	0.9
371.11920	1.4
371.24356	100.0
372.19827	0.6
372.24698	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	371.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.0
57.17902	0.2
58.00474	0.3
59.01257	2.3
68.07787	0.2
69.03328	0.2
71.01247	0.6
71.04887	0.5
73.02824	1.8
80.96389	8.3
81.03350	0.2
81.96340	0.3
82.95992	1.2
82.96764	0.2
83.04889	0.8
85.02829	0.8
87.04384	1.1
93.03345	0.3
93.06974	0.7
95.04910	0.5
97.02825	1.2
97.05937	0.2
97.06477	1.1
99.08029	0.3
101.02316	0.3
101.05954	0.3
107.04926	0.3
109.02826	0.2
109.06471	0.6
119.04911	0.4
120.99593	0.2
121.02840	0.2
121.06532	0.2
123.04395	0.5
123.08067	1.6
125.09626	3.1
127.11207	0.4
135.04427	0.4
135.08055	0.2
137.02327	0.6
137.09581	0.6
139.03905	0.3
139.07581	0.2
139.11182	1.3
141.09119	0.7
141.12743	1.2
143.10646	0.7
151.03928	0.4
151.11163	0.7
153.09088	0.8
155.10661	0.6
161.05957	0.2
163.11018	0.3
169.12273	0.8
171.10181	11.8
172.10486	0.6
185.11729	0.6
186.02180	1.1
187.02516	1.0
187.07524	0.4
188.01794	0.4
189.05495	0.5
190.05946	0.2
191.07005	0.7
197.02675	0.3
197.11777	0.4
200.10510	0.5
201.11215	0.3
205.08635	0.4
209.02908	0.4
213.11311	0.3
215.12810	0.7
217.10825	0.2
227.12842	0.4
228.13612	0.9
229.08698	0.3
231.06531	0.3
235.09767	0.2
241.14337	0.2
271.07544	0.6
272.07806	1.5
273.07687	3.0
281.17642	0.3
293.42233	0.2
297.07489	0.3
302.04327	0.2
305.21109	0.2
311.22314	1.1
323.22241	0.8
327.12424	1.0
335.22391	0.4
341.23288	7.1
342.23611	0.5
353.23398	1.8
369.22894	1.1
371.14734	4.2
371.24353	100.0
372.14874	0.6
372.24683	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	371.244
Annotation	TXB1
Peak:m/z	Relative Intensity
53.50092	0.2
57.03314	1.0
59.01258	1.6
69.03339	0.3
71.01257	0.2
71.04887	0.7
73.02825	1.5
83.04900	0.7
85.02812	0.4
87.04397	1.1
92.09286	0.2
93.06946	0.7
93.34647	0.2
95.04926	0.4
96.77347	0.2
97.06459	1.5
99.08023	0.3
100.83094	0.2
101.05914	0.2
105.11698	0.2
111.72820	0.2
113.05997	0.5
113.96507	0.3
119.04908	0.2
123.08052	1.8
125.09615	4.3
127.11217	0.3
127.35969	0.2
135.04419	0.5
137.09586	0.6
139.07414	0.3
139.11159	1.4
141.09116	0.9
141.12737	1.4
143.10684	0.6
151.11189	0.5
153.09114	0.7
154.03452	0.2
155.10684	0.6
169.12231	0.6
171.10184	12.8
172.10553	0.4
185.11763	0.8
197.11784	0.9
199.09702	0.5
200.10477	0.8
213.11230	0.2
215.12852	0.6
227.12865	0.6
228.13637	0.9
235.15013	0.3
265.18073	0.6
305.21259	0.3
311.22321	1.0
323.22357	0.7
335.22418	0.4
341.23309	6.8
342.23749	0.4
353.23392	1.6
369.22806	1.4
371.24368	100.0
372.24722	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	371.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25502	0.2
57.03323	1.2
59.01255	2.1
62.63518	0.3
69.03304	0.3
69.59677	0.8
69.60099	1.3
71.01256	0.4
71.04909	0.6
73.02815	1.3
83.04907	0.6
85.02821	0.5
87.04375	1.5
97.06493	1.7
111.91321	0.2
113.05972	0.6
119.04870	0.3
123.08046	2.0
125.09615	5.1
127.11176	0.4
135.04391	0.6
137.09613	0.8
139.07617	0.3
139.11179	1.3
141.09128	0.8
141.12733	1.4
143.10681	0.7
151.11197	0.7
153.09039	0.7
155.10646	0.6
169.12231	0.6
171.10188	12.8
172.10558	0.5
185.11742	1.5
197.11740	1.0
200.10411	0.8
200.94666	0.2
215.12817	0.9
227.12891	0.5
228.13663	1.1
231.82257	0.3
265.18155	0.5
277.21759	0.3
281.17743	0.3
306.79941	0.3
309.20493	0.3
311.22318	1.3
323.22284	1.2
341.23303	7.4
342.23660	0.7
353.23309	2.4
369.22800	1.1
371.24368	100.0
372.24704	11.0
381.72925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09113	0.2
57.03328	0.8
59.01253	100.0
60.01592	1.2
62.97710	0.3
69.03357	0.3
71.38560	0.5
85.02843	0.5
97.06483	0.3
98.53162	0.2
99.04387	0.5
101.02360	0.3
123.08054	0.5
125.09619	0.7
125.75397	0.3
134.88055	0.2
144.81610	0.2
171.39977	0.2
184.76575	0.2
185.11780	1.0
197.11765	0.7
199.13287	0.3
203.32887	0.2
207.13850	7.1
208.14120	0.6
225.14922	2.1
251.12724	1.3
265.18121	3.9
266.18378	0.4
267.15997	1.3
309.20584	0.4
311.15002	0.7
311.22348	0.9
323.22122	0.7
329.16162	0.3
341.23584	0.3
347.58047	0.3
353.23398	0.5
371.24347	21.2
372.24695	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	371.1861
Annotation	(-)-7R-Cannabicoumarononic acid A
Peak:m/z	Relative Intensity
52.45034	0.5
57.03305	1.3
59.01254	13.4
65.03818	0.6
67.01772	0.6
69.03338	0.9
71.01262	1.1
71.57957	0.6
73.02794	0.7
80.02532	0.7
81.03328	1.0
83.04919	1.2
85.02830	0.7
90.26205	0.6
93.03374	1.3
93.06991	3.7
95.04900	1.9
97.06488	2.2
107.04922	1.2
108.02089	0.8
109.02850	3.5
109.06451	1.4
110.03194	0.8
111.08025	0.7
119.04908	1.4
119.08547	0.8
120.05709	1.4
121.02805	1.4
121.06513	0.9
123.08006	0.7
128.73824	0.6
133.06479	1.3
134.03539	0.7
135.04419	2.6
135.08028	0.8
137.02328	1.9
137.09763	0.6
141.13957	0.6
143.04932	2.0
145.02878	3.5
145.06554	1.2
145.10155	0.7
146.07196	0.9
147.04407	1.1
147.08080	1.7
149.02333	0.7
149.09662	1.0
151.03903	1.3
157.06497	2.1
158.03659	1.1
159.04445	4.4
159.08089	0.8
161.02385	0.6
161.06007	0.7
161.09665	0.8
163.03926	1.1
169.06433	0.7
171.04417	3.5
171.08107	1.1
172.08868	1.0
173.02373	4.9
173.05975	1.7
173.09634	2.6
175.03876	0.8
183.08084	1.6
184.08815	1.1
185.05998	1.6
185.09618	2.3
186.10432	2.7
187.03972	3.1
187.07603	1.9
187.11198	4.0
188.11955	2.2
189.12750	6.0
191.14372	4.9
197.09628	0.9
199.03902	3.2
199.07591	2.4
199.11218	2.4
200.08365	1.2
200.11977	0.9
201.09235	0.8
201.12804	1.9
207.09961	2.8
211.11177	1.0
212.12000	1.0
213.05515	1.1
213.09172	1.3
213.12738	1.1
214.13554	2.3
215.06920	0.7
215.10696	0.8
215.14304	2.4
217.08734	1.6
217.12283	0.8
227.07166	1.6
228.07877	3.6
229.08540	1.2
229.15906	2.4
233.11745	0.7
235.09506	0.7
235.13335	1.2
239.14417	0.8
241.08530	0.7
254.13109	0.6
254.16917	0.8
255.17528	2.8
261.11215	1.4
265.19614	1.7
267.17441	0.8
268.18155	0.9
281.19089	1.5
283.20663	47.9
284.21008	4.9
297.18542	0.9
299.20074	2.0
300.13879	0.9
309.18616	14.7
310.18854	1.6
325.18082	6.8
327.19641	51.3
328.19922	5.1
343.19110	7.6
353.17459	2.1
371.18619	100.0
372.19019	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	371.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74250	0.2
57.03325	1.2
58.89748	0.3
59.01251	100.0
59.42379	0.2
60.01585	0.9
69.30781	2.6
70.98273	0.2
71.01246	0.3
83.01289	0.3
91.26096	0.2
91.84783	0.2
94.72491	0.3
97.06463	0.4
98.20636	0.3
123.08083	0.3
125.09624	0.9
135.04475	0.3
185.11687	0.8
197.11708	0.5
207.13863	6.4
209.03041	0.3
225.14873	1.6
251.12833	1.6
265.18103	3.4
267.16013	1.5
269.13937	0.4
311.15146	0.6
311.22311	1.0
323.22128	0.6
327.25513	0.3
335.21793	0.3
341.23328	0.3
353.23264	0.5
371.24350	17.2
372.24445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15371	0.4
57.03321	1.2
58.00443	0.4
59.01254	4.5
65.03837	2.8
67.01749	0.7
69.96305	2.5
70.74120	0.4
71.01254	3.8
73.02822	1.0
74.96465	0.4
79.88655	0.4
83.01245	0.7
85.02828	1.7
89.02341	2.6
91.05411	14.9
92.05759	0.7
93.03333	3.7
94.36514	0.5
95.70085	0.4
97.06471	0.4
98.19859	0.6
101.02318	2.3
109.02840	31.9
110.03149	0.6
113.02308	1.4
119.03385	0.9
119.04928	3.4
121.02847	30.8
122.03632	1.4
123.04409	1.4
125.02397	0.8
125.09611	1.1
132.12662	0.4
134.03658	0.8
135.04419	100.0
136.01555	0.5
136.04730	4.3
137.02318	4.6
137.05977	0.7
138.03140	3.3
144.27722	0.5
147.04424	7.8
148.05206	1.3
149.02348	3.7
149.05974	1.9
150.03143	5.2
151.03908	4.4
152.04692	1.0
153.05452	0.8
159.04414	1.5
161.02357	1.1
161.04462	0.9
163.03937	3.7
164.04704	38.8
165.05502	7.4
167.07040	0.5
175.03954	1.9
176.04732	2.3
179.03450	1.2
179.07065	13.4
180.07355	0.6
182.02130	1.3
191.03526	0.8
191.07072	11.3
192.07388	0.7
193.05098	1.1
196.03851	0.6
197.11710	0.5
203.07077	0.5
207.06532	1.3
216.07877	0.7
220.07509	0.5
221.08130	1.3
222.08870	1.3
223.09698	0.6
231.10327	0.5
233.08154	1.3
234.08948	1.4
235.07468	0.8
235.09737	9.9
235.12100	0.7
249.11302	9.4
250.11707	0.7
251.07057	0.7
254.05742	1.0
255.06519	0.6
261.11282	2.3
265.18100	1.8
269.08292	3.0
279.06500	0.7
280.07355	1.5
298.08426	0.7
301.10806	11.2
302.11099	1.2
303.16150	0.9
311.22394	0.7
356.12515	1.7
371.03000	0.5
371.11227	0.6
371.15057	10.0
371.19434	0.6
371.20251	0.6
371.24380	14.7
371.28592	0.9
372.15341	1.3
372.24719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1499
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
54.72181	1.6
56.34588	1.9
59.01251	9.1
65.00214	3.6
65.66820	2.1
68.99691	7.7
69.03333	2.0
70.33571	7.7
71.01245	2.5
71.04881	2.2
75.47468	2.0
77.22147	1.9
78.84943	2.1
79.01768	7.3
81.03343	3.3
83.01263	2.9
93.03333	63.7
95.04897	2.3
97.02802	9.9
97.59484	1.9
98.50378	1.7
106.50424	2.6
107.04935	3.3
108.02061	8.3
109.02864	4.1
109.06448	2.8
110.00011	5.7
111.00768	2.9
113.02303	2.7
119.04915	73.9
121.02798	9.9
123.00794	5.5
123.04396	5.2
125.02357	3.0
135.04410	6.2
136.01561	6.1
137.02356	3.9
137.99501	6.1
139.03915	13.9
143.04926	3.8
145.06432	4.3
147.04416	2.1
149.02341	4.5
150.03154	2.1
151.00357	2.5
151.03885	3.7
153.04173	2.2
156.05754	10.8
156.06796	2.3
157.06506	22.4
158.07202	2.1
159.04416	2.6
161.05923	2.9
162.03127	2.3
163.00272	2.0
163.03935	6.2
163.07614	5.0
165.01843	24.8
167.03409	100.0
168.03824	3.1
171.04424	3.2
171.08125	2.4
173.05946	4.3
178.06346	3.7
179.07060	7.8
181.01320	2.4
181.06622	2.3
184.05148	2.8
185.05997	15.4
187.03967	4.2
188.04758	5.0
189.05492	6.1
189.09146	2.8
191.03400	2.4
191.07228	3.2
191.13577	2.3
197.06053	4.7
199.07570	7.5
203.07118	21.5
204.07709	4.6
205.08633	25.5
206.05800	9.2
207.06563	9.2
213.05566	3.8
217.08667	2.8
221.13892	2.4
225.05492	4.4
226.06343	3.4
227.06815	2.0
229.05014	34.6
231.06728	3.1
231.10132	13.9
241.04990	4.8
242.05794	3.2
254.05727	2.1
257.04547	8.3
267.14096	3.9
270.05328	5.4
275.09262	10.5
295.13312	7.5
299.12814	4.7
309.11426	13.7
309.14423	2.3
311.12875	17.5
312.12997	2.3
327.12357	6.6
339.12390	52.7
340.12625	5.9
356.93265	2.2
371.11169	9.6
371.15054	48.3
372.15237	6.6
375.32837	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	371.15
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
55.36166	0.6
57.03320	1.6
59.01251	4.6
65.03837	4.0
67.01779	0.7
69.39242	4.1
69.39668	2.4
71.01266	1.5
71.04897	0.9
72.89107	0.6
73.02811	1.0
80.96362	0.7
81.03315	0.7
85.02823	1.1
89.02270	0.8
91.05408	15.2
93.03339	4.2
97.02800	0.8
101.02325	0.7
106.33341	0.6
107.04896	1.2
109.02838	39.6
110.03164	0.9
119.04930	2.8
121.02840	30.3
123.04409	1.5
125.09586	1.2
133.02846	1.1
134.03651	0.7
135.04413	100.0
136.01680	0.7
136.04752	4.3
137.02353	1.7
139.03915	1.0
142.93233	0.6
147.04431	6.2
149.02341	3.8
149.06000	1.3
150.03162	1.5
151.03912	3.2
159.04471	1.2
161.02341	1.0
161.04634	0.8
161.05931	1.4
163.03906	3.2
164.04733	1.3
165.01843	1.6
173.05986	0.9
175.03906	4.0
175.07545	2.0
176.04636	1.3
177.05458	1.6
179.03413	1.1
185.11777	1.0
187.03940	0.9
187.07597	2.2
188.08354	2.1
189.05522	2.3
189.09097	2.7
190.06270	1.9
191.07074	3.0
192.07945	0.9
199.07684	1.0
202.06171	0.8
203.07060	4.4
204.07944	5.0
205.08565	1.5
207.06499	3.3
215.07069	1.6
216.07855	8.9
217.08620	11.9
219.06595	1.0
219.10248	3.0
220.07385	1.9
221.08131	3.3
222.08867	2.6
223.09683	1.6
229.08560	1.6
231.10202	5.8
233.08061	1.8
234.08934	13.5
235.09686	15.1
236.10138	0.9
243.10222	1.0
246.08859	1.2
249.11295	15.7
250.11568	1.2
261.11322	9.1
273.07785	1.3
285.07556	1.6
286.08389	0.7
311.22119	1.4
339.12308	2.4
341.10199	0.9
341.13916	1.7
341.23154	0.9
353.14005	1.7
353.23325	1.8
356.12747	2.8
371.11121	4.0
371.15045	17.8
371.19247	0.8
371.20221	0.8
371.24298	20.0
372.15454	2.0
372.24609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70919	0.4
59.01254	100.0
60.01578	0.9
60.60374	0.4
63.28138	0.3
71.01266	0.9
85.02832	0.5
98.20538	1.5
101.02341	0.9
147.97858	0.4
160.03238	0.4
161.04515	0.5
167.03436	0.6
207.07152	0.4
210.60889	0.4
224.43312	0.4
253.64630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00626	1.7
51.20437	1.6
59.01251	100.0
69.52216	15.0
71.01248	2.4
73.02827	3.0
82.75485	2.1
83.59310	2.1
85.02789	4.0
87.00746	1.7
87.85960	1.5
93.03323	1.8
98.19799	3.2
118.20206	1.7
121.02866	4.0
173.04474	2.8
191.05495	13.1
246.64091	1.6
279.78421	1.7
303.06717	1.7
341.10162	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02255	0.5
51.60559	0.3
55.01751	0.3
59.01252	4.3
69.03330	14.9
71.01256	1.8
71.57994	0.5
72.94569	0.3
73.02840	0.5
79.01740	2.3
79.32952	0.3
81.03336	1.2
83.01254	0.4
85.02829	1.4
91.01794	0.7
93.03352	0.6
95.01256	1.9
96.95905	0.8
97.02830	7.8
98.95481	3.3
98.96313	0.6
100.95349	0.4
100.95907	1.0
101.02363	0.7
107.00528	0.5
107.01274	9.9
108.02057	1.0
109.02856	0.5
113.02324	1.4
121.02835	1.3
123.00762	2.8
123.04488	0.3
125.02348	25.7
126.02665	1.2
133.02870	0.8
134.03693	0.5
135.00783	13.9
135.04395	0.4
136.01576	1.5
149.02351	1.0
151.00279	17.2
151.03929	0.4
152.00679	0.6
153.01840	0.7
161.02321	0.4
162.03157	0.4
163.03954	1.2
166.02635	100.0
167.03409	26.3
168.03777	1.2
170.40132	0.3
177.01866	3.5
179.03410	0.7
189.01817	0.4
191.05510	0.4
193.04929	0.4
209.04530	3.6
210.04868	0.3
221.04559	0.7
311.07806	0.9
339.07108	0.9
371.09879	7.5
371.24323	0.4
372.10312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02292	0.3
55.01744	0.2
55.87777	0.2
59.01255	3.6
62.52066	0.2
63.52891	0.2
69.03328	15.8
69.24537	1.8
69.24960	0.6
70.03687	0.3
70.45355	0.2
71.01263	1.4
73.02826	0.8
79.01747	2.3
79.02125	0.2
81.03327	0.9
83.01254	0.5
85.02824	1.3
89.02336	0.4
91.70904	0.2
93.03336	0.5
95.01269	1.7
96.95898	0.4
97.02837	9.1
98.03140	0.2
98.19807	0.3
98.95468	0.6
99.00780	0.4
100.95892	0.2
101.02335	0.8
106.94088	0.2
107.01270	9.8
107.04920	0.2
108.02119	0.9
109.02853	0.4
113.02335	0.9
119.04922	0.3
121.02830	1.3
122.03690	0.4
123.00780	2.7
123.04382	0.3
125.02344	27.5
126.02665	1.0
133.02844	0.7
135.00778	12.5
135.04448	0.3
136.01614	1.5
137.02359	0.4
145.02821	0.2
146.33855	0.2
149.02324	1.0
150.03073	0.2
151.00279	19.0
151.03844	0.5
152.00662	0.7
153.01831	0.6
161.02350	0.5
161.04448	0.3
162.03192	0.2
163.03914	1.5
165.01866	0.8
165.09158	0.2
166.02632	100.0
167.03406	21.2
168.03802	0.7
173.76184	0.2
177.01849	3.0
179.03357	0.7
191.03432	0.6
191.05524	0.3
193.05029	0.3
209.02769	0.2
209.04527	2.8
221.04482	0.6
269.17654	0.5
273.94589	0.2
339.07275	0.5
339.27170	0.2
355.13654	0.2
371.09866	6.3
371.20398	0.3
371.24469	0.4
372.10056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48395	0.3
55.01751	0.5
57.03328	4.4
58.99471	0.7
59.01252	6.3
60.99162	0.4
67.01772	1.4
68.99697	0.4
69.90672	1.7
71.01257	7.8
72.99178	1.8
73.02819	0.7
75.00739	1.0
81.03328	0.3
83.01260	1.0
83.04910	0.7
83.57587	0.3
84.02045	1.0
85.02827	48.8
86.03159	1.0
87.00755	5.0
89.02304	3.6
90.21039	0.3
93.03339	10.4
94.03658	0.4
96.37074	0.4
101.02334	0.6
103.00244	1.3
109.02838	2.0
111.00751	0.5
111.04407	2.4
113.02334	0.9
115.00277	0.4
119.04243	0.3
122.03627	0.4
122.05997	0.4
123.04417	0.5
125.02311	0.4
127.03928	1.9
129.01825	2.5
133.01329	4.2
133.02864	0.7
134.03629	1.0
135.04419	44.5
136.01521	0.4
136.04770	1.8
136.07581	0.3
137.02322	2.1
147.02887	2.0
149.05922	0.3
150.05531	1.0
151.03902	0.4
155.03392	1.3
161.02353	3.3
167.03410	0.4
171.02939	0.4
173.04477	18.5
174.04816	0.5
179.03400	3.7
191.01967	9.3
191.05542	100.0
192.05916	4.0
197.04492	1.1
209.02979	51.5
210.03314	2.0
213.35985	0.3
235.06116	0.7
296.34158	0.3
353.08789	4.2
354.12039	0.4
358.58066	0.3
371.09848	10.9
372.09985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03328	6.1
59.01248	6.8
67.01749	1.0
70.04723	0.9
70.05114	0.7
71.01258	9.3
72.99165	2.5
73.02842	1.0
75.00750	1.0
80.12958	0.3
81.03307	0.4
83.01276	0.9
83.04927	0.5
84.02046	1.1
85.02826	48.8
86.03148	1.3
87.00758	4.7
89.02304	3.4
93.03337	9.6
101.02330	0.9
103.00260	1.1
109.02856	2.5
111.04391	2.1
115.00274	0.5
122.03575	0.6
123.04459	0.9
127.03919	1.4
129.01819	2.3
133.01323	3.9
133.02837	0.8
134.03638	0.9
135.04422	39.9
136.04771	1.7
137.02330	2.3
147.02866	2.3
150.05522	0.7
153.05371	0.5
155.03404	1.3
161.02345	3.2
173.04489	19.8
179.03423	4.0
191.01970	11.5
191.05551	100.0
192.05931	2.9
197.04443	2.0
209.02982	86.0
210.03419	2.5
235.06029	0.7
341.08588	0.5
353.08801	5.1
354.12003	0.6
371.09802	15.0
372.10138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30066	0.2
52.39991	0.2
59.01243	1.0
73.02836	0.3
79.95636	1.0
79.99422	0.3
80.96391	100.0
81.96351	0.3
82.81451	0.2
85.02807	0.3
95.22608	0.2
97.02858	0.3
109.02908	0.2
113.27396	0.2
119.04869	0.2
121.02956	0.3
123.04391	0.5
133.02864	0.2
137.02332	1.2
149.02393	1.3
151.03935	1.1
158.03699	0.2
161.02386	0.2
171.10153	0.5
175.03903	0.3
180.92496	0.2
186.02231	25.6
187.02539	0.8
191.07103	0.9
201.01897	0.3
210.94211	0.2
212.04556	0.2
214.06297	0.3
232.15503	0.3
235.17313	0.3
243.02826	0.3
256.03616	0.3
257.04578	0.8
271.07584	23.7
272.07944	1.6
273.07648	0.5
277.98257	0.2
282.05832	0.3
284.03320	0.6
285.04056	3.5
285.08978	0.6
287.01990	0.6
302.04282	3.5
323.09271	0.4
325.10764	0.6
341.23318	0.6
353.23410	0.3
369.22702	0.3
370.14398	13.5
371.11279	0.4
371.15021	5.2
371.24387	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	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55448	1.3
55.01756	2.1
57.03327	13.1
59.01254	11.8
67.01766	1.5
67.43366	1.4
68.99676	2.1
70.15810	1.5
70.92433	3.2
71.01261	16.6
72.99186	1.6
73.17950	1.4
83.01250	1.7
84.02035	2.8
85.02827	100.0
86.03156	1.4
87.00761	5.7
89.02307	9.7
93.03328	5.3
101.02377	1.8
103.00256	2.1
129.01845	3.8
133.01373	10.4
135.04420	16.4
137.02292	1.4
147.02910	3.7
150.03183	1.8
173.04442	9.9
179.03415	3.0
189.23917	1.3
191.01903	16.0
191.05545	22.2
209.02979	89.9
210.03241	3.3
243.24530	1.4
297.80817	1.5
371.09689	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	369.2281
Annotation	Thromboxane B2
Peak:m/z	Relative Intensity
55.90894	0.4
59.01246	2.6
61.81292	0.5
69.68791	1.0
69.69200	2.6
71.01273	2.2
85.02879	0.9
89.02334	1.3
91.03883	2.6
97.70171	0.5
98.19897	1.1
109.02897	1.2
135.80499	0.5
151.03888	0.6
151.07629	1.4
155.60461	0.6
167.10733	0.7
170.05753	3.6
171.10243	1.7
195.13869	3.1
215.75609	0.5
221.15245	0.7
222.08711	8.2
233.19095	1.5
236.10324	2.8
249.18597	0.7
251.20212	1.9
254.07654	0.6
258.05185	1.2
272.06799	0.9
277.18103	100.0
277.21405	4.8
278.18475	9.9
293.21320	0.7
295.19171	54.6
295.22784	26.8
296.19501	5.4
296.23129	2.3
311.22302	7.8
312.22797	0.9
333.16986	0.4
333.20462	15.8
334.20798	2.1
369.22794	70.0
370.23148	7.6
385.07202	0.5
389.01309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55063	0.7
56.31843	0.8
57.03318	1.3
57.40245	0.8
59.01253	4.3
63.12141	0.8
69.49605	4.9
69.50011	1.7
70.14838	0.8
71.01266	1.5
85.02809	1.6
89.02309	3.2
91.03888	8.7
113.09634	1.9
135.04433	5.6
149.05956	2.2
149.09732	1.0
193.08630	8.6
195.13843	13.9
196.14131	1.2
218.54175	0.9
234.73245	0.9
248.94098	0.8
261.43710	0.9
277.18491	1.4
277.21707	13.4
278.22125	1.2
295.06158	1.4
295.22778	100.0
296.23151	10.5
369.22345	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	369.1816
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
52.31083	2.4
59.01247	6.1
69.63881	13.9
69.64303	5.6
84.99067	2.2
85.02835	6.0
97.06463	10.8
98.20515	4.8
109.02838	5.6
119.04955	5.0
125.09590	5.8
128.80411	2.2
129.01823	2.3
134.03529	2.6
135.08043	9.3
154.09966	2.3
169.70102	2.4
171.05765	2.3
177.12769	2.7
183.01129	2.6
195.13763	4.6
197.02727	7.2
205.03331	4.3
215.07076	3.6
215.10582	2.8
219.10110	3.0
241.22737	2.5
243.65068	2.7
262.11935	4.4
277.18054	12.4
287.16635	3.3
293.21252	82.3
293.51740	2.3
294.21515	6.0
295.06097	5.4
305.17493	10.4
311.22272	100.0
312.22531	9.7
315.19272	5.0
321.94110	2.5
333.20422	57.7
334.20380	9.4
354.11124	2.7
369.13351	3.7
369.17984	89.2
369.22675	51.0
370.18332	9.9
370.22812	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	369.1343
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
57.03298	1.3
59.01259	5.8
69.99167	5.8
71.01253	4.9
72.26732	1.1
73.02797	1.5
83.01251	2.1
85.02818	4.9
87.78473	1.1
89.02319	2.1
93.03352	1.9
96.95893	2.2
97.02839	1.5
101.02319	2.1
103.39476	1.0
109.02842	5.5
113.02319	2.2
114.62518	1.1
123.04426	3.7
129.01804	1.0
132.02046	3.9
135.04393	2.5
139.03915	1.2
143.76541	1.1
145.02850	1.3
146.03662	2.7
151.03922	1.3
159.04549	1.3
160.01556	10.6
161.02281	1.2
161.05952	1.9
162.02995	1.3
164.04630	2.2
164.11253	1.2
171.28853	1.1
179.07027	8.8
191.05540	2.5
203.07147	1.4
205.08690	1.3
209.06064	1.6
211.07527	1.5
221.06088	4.1
222.06732	6.0
223.04453	1.7
223.07573	3.2
224.08417	3.0
225.05493	3.3
226.06248	1.4
235.07607	2.0
237.05545	1.8
238.06163	2.6
239.07098	3.1
240.07880	10.5
243.06635	6.1
244.07428	6.2
249.05594	2.7
250.06326	2.1
251.07124	4.7
255.10306	5.4
262.06332	1.9
263.07202	2.3
267.06754	3.3
267.10318	2.0
268.07419	20.4
269.07675	1.8
278.05801	2.4
279.06647	5.6
280.07404	20.1
281.08105	3.2
283.09799	16.1
284.10059	1.6
291.06677	2.9
293.08261	3.9
294.08911	2.6
295.06094	3.5
296.06854	14.1
306.05600	1.2
307.06021	4.1
308.06903	20.5
309.07654	13.1
310.08267	1.5
311.09225	7.7
312.09726	1.5
321.07755	3.9
322.08582	7.4
323.09232	33.9
324.06348	18.3
324.09998	15.9
325.06912	2.3
325.10626	1.3
337.10876	8.5
338.11572	21.1
339.08722	100.0
339.12180	7.3
340.08945	9.5
353.10281	8.0
354.11090	62.2
355.11353	6.8
369.13431	57.1
369.18286	2.1
369.23004	3.2
370.13809	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	369.1341
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
53.39442	0.9
55.69469	0.9
59.01191	1.2
85.02807	2.5
93.03301	1.3
97.02807	1.8
98.20591	2.0
105.03339	18.1
109.02805	3.2
121.02845	12.1
122.03585	2.9
123.00739	1.3
125.02345	1.1
129.01828	1.1
133.02788	1.1
134.03632	38.1
135.04439	19.6
136.01521	4.1
137.01378	1.6
137.02339	14.9
149.02354	33.5
149.04880	1.7
149.05989	26.8
150.03011	2.4
157.06502	5.4
161.02303	2.5
162.03177	6.0
163.03828	3.3
167.02144	1.3
167.03419	18.9
170.28108	1.1
175.03932	1.6
183.01112	1.3
194.02126	11.6
201.05496	5.7
204.07927	1.8
205.08589	4.5
219.06667	6.4
219.10155	7.6
223.04562	1.6
229.05486	1.3
237.07578	4.5
241.04868	1.3
255.06483	1.4
262.11890	11.4
283.06207	5.3
284.06784	3.4
291.19681	11.2
295.06110	1.2
299.09323	10.7
309.20703	7.5
331.18976	6.0
336.10022	1.6
351.12424	6.3
369.13284	100.0
369.21048	2.7
370.13632	11.7
370.17563	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	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59889	0.9
58.91025	0.8
65.03839	3.5
67.01762	0.9
69.85475	5.6
85.02834	1.4
91.05409	17.2
91.05954	1.3
91.51537	0.8
93.03350	3.9
94.14891	0.9
108.02070	2.3
109.02843	10.1
109.99991	2.5
119.04922	8.4
121.02830	4.5
123.00801	1.9
125.09676	0.9
133.02872	2.2
135.04416	100.0
136.01588	4.6
136.04758	3.6
147.04425	5.0
149.02347	1.5
149.05981	1.2
150.06534	1.7
151.00275	1.6
159.04439	1.1
161.02368	4.5
161.06006	1.8
163.00331	0.9
163.03947	2.1
171.10184	3.7
173.05968	1.9
175.07571	1.2
176.01083	2.5
176.08244	1.1
177.01785	1.3
177.05417	1.1
178.06287	2.8
185.05971	1.7
189.05493	11.2
191.03455	5.9
191.07083	1.4
193.08548	0.9
197.11755	1.1
203.07106	5.2
204.07857	6.9
206.05829	4.0
207.10172	1.6
211.13269	1.1
213.05522	1.2
215.07069	3.0
217.08704	3.8
218.05746	2.2
221.08142	17.0
232.07379	12.6
233.08174	5.1
235.09676	1.1
247.09708	16.6
259.09818	1.4
268.03943	2.4
269.04489	0.9
269.07922	1.6
285.04132	5.4
293.21191	1.7
300.06418	4.1
305.11816	1.1
311.22293	11.9
337.10724	2.3
337.14545	3.2
338.11234	1.0
354.11011	2.8
369.13358	10.4
369.18060	23.1
370.14020	1.8
370.18210	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	369.1342
Annotation	5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
Peak:m/z	Relative Intensity
57.03300	1.1
59.01239	1.5
59.86181	1.1
69.03319	1.7
69.56569	5.4
69.56989	2.3
72.15810	0.8
81.03334	1.4
83.01262	7.2
85.02811	4.6
93.03349	4.3
95.01267	1.1
95.04912	1.4
97.02825	10.8
108.02059	3.5
109.02839	43.6
111.00766	1.4
117.03323	2.3
119.04922	2.5
121.02834	6.6
121.06485	5.4
121.08216	0.9
122.03616	3.8
123.00812	1.3
123.04410	29.6
124.01569	1.3
125.02321	4.0
133.02829	3.1
135.04433	4.9
137.02374	3.0
137.09615	1.7
139.03928	5.3
139.11159	1.0
145.02831	2.3
145.06509	1.2
146.03653	3.0
147.04428	3.2
149.02335	10.3
149.06018	2.3
150.03079	2.2
151.03929	12.3
159.04439	6.0
160.05209	1.5
161.02361	7.1
161.06018	7.9
161.09624	3.7
162.03156	3.5
163.00160	1.0
163.03915	4.0
163.07564	3.4
164.04683	1.3
165.09149	1.3
174.06799	1.3
175.03935	2.9
175.11240	1.2
176.01070	1.8
176.04817	0.9
177.01848	1.2
177.05530	3.3
177.09116	1.1
179.07056	1.3
185.06030	1.7
187.03944	4.4
188.04677	2.5
189.01880	1.1
189.05516	5.0
190.02553	1.7
190.06090	1.6
191.03519	1.4
197.05922	1.0
199.07634	1.2
201.05562	1.9
203.03458	4.0
203.07069	10.0
203.10715	1.5
205.05040	13.4
205.08627	10.7
207.10205	8.9
211.07578	1.3
213.05530	3.2
215.10754	1.5
216.04120	1.6
217.08670	8.1
219.10159	4.7
223.04530	1.6
229.05038	1.3
231.06590	2.3
239.07091	1.4
241.05084	1.9
244.07382	2.9
245.08238	5.4
246.08942	3.6
247.06113	9.1
247.09654	3.7
255.06567	2.8
259.09778	4.6
260.10263	1.2
267.10355	1.2
283.06201	1.9
283.13498	2.5
285.03967	8.5
299.05737	2.1
300.06409	8.2
301.14514	2.2
307.13184	1.3
307.26526	1.4
325.14438	15.1
325.27496	4.2
326.14899	1.8
333.24432	1.6
351.12589	1.4
351.25473	1.3
353.10321	1.7
369.09940	4.9
369.13452	100.0
369.26410	12.4
370.10107	1.3
370.13892	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	369.0978
Annotation	Oxidihydroartocarpesin
Peak:m/z	Relative Intensity
50.78540	0.2
52.98720	0.2
54.38672	0.2
55.35400	0.2
56.95318	0.2
57.03315	0.5
59.01251	0.6
69.27188	0.9
69.27615	1.4
74.89811	0.2
85.02837	0.8
89.03837	1.0
91.01768	0.5
93.03329	0.4
95.04900	2.6
98.72533	0.2
105.03341	1.0
109.02813	0.3
121.02830	0.7
123.04411	10.2
124.04750	0.3
132.02119	0.5
133.02850	100.0
134.03183	3.7
135.04384	0.6
149.02335	1.0
157.02832	0.3
159.00896	0.3
177.01897	0.8
195.02861	0.4
209.08066	0.3
223.04404	0.2
223.56291	0.2
232.28287	0.2
235.06055	1.8
239.07091	0.5
249.05502	0.7
251.03537	0.2
253.07138	1.3
255.45244	0.2
265.05063	0.5
267.06680	0.4
269.04465	0.4
283.06180	0.4
293.04568	6.0
294.04758	0.3
297.04108	0.9
311.05566	1.0
333.07578	0.3
351.08759	1.2
352.09082	0.3
369.09769	26.7
369.22406	1.4
370.09967	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	4.2
57.03323	19.7
59.01255	3.0
61.22492	1.0
67.01761	1.6
68.49849	1.0
71.01246	5.9
71.32084	1.6
72.99187	1.3
73.02803	1.3
75.00761	1.2
83.01254	8.8
84.02065	2.4
85.02826	100.0
86.03160	2.5
87.00818	0.9
93.03329	1.4
95.98151	0.9
101.02342	5.1
111.00768	24.3
119.04944	9.0
123.04426	2.1
129.01834	40.6
131.03403	1.9
145.02763	1.5
146.12184	0.9
161.04475	2.2
163.03906	9.0
173.04536	2.3
177.03790	1.1
187.02406	1.9
191.05507	4.1
195.05490	0.8
205.03471	24.4
221.18465	0.9
223.04555	39.9
224.04819	1.1
324.61649	0.9
338.79459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95651	1.2
57.03320	5.0
59.01250	2.0
67.01746	4.7
69.70831	5.7
69.71257	2.9
71.01237	2.0
83.01250	1.7
85.02826	32.3
87.00745	7.3
90.21254	1.1
93.03338	22.9
103.74657	1.3
105.03339	1.6
109.02833	1.5
111.00790	7.5
111.04398	3.6
113.70667	1.5
119.04883	2.2
123.04420	25.4
127.03828	1.6
129.01840	11.9
131.03513	1.4
133.02847	9.6
135.04440	1.4
147.27419	1.3
149.02344	1.3
151.03964	1.9
163.03886	1.7
173.04460	39.2
174.04782	2.3
177.01869	9.3
181.78441	1.2
188.31992	1.3
191.05540	100.0
192.05812	5.3
195.02930	17.5
195.07291	1.4
205.03471	10.4
215.05501	3.5
223.04530	31.1
232.02498	1.2
235.31090	1.2
250.52676	1.1
270.54480	1.3
351.07056	3.4
369.08231	32.3
370.08655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.5
56.99419	2.0
57.03327	10.9
57.55790	2.1
59.01247	2.2
63.65347	1.6
67.01770	3.4
69.47967	15.1
71.01260	4.6
83.01275	7.3
85.02827	75.5
86.03179	2.3
93.24840	1.7
101.02322	4.5
111.00758	20.7
114.19547	1.9
114.60245	2.0
119.04913	5.1
120.29049	1.9
129.01834	33.9
133.02907	2.3
136.77534	1.8
142.55284	1.8
145.02943	1.8
161.04442	3.2
163.03902	4.2
173.04465	12.6
187.02452	1.7
191.05524	6.8
195.02992	3.5
205.03456	27.8
219.37080	2.2
223.04549	100.0
224.04848	4.7
329.90982	1.8
369.07996	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05714	1.0
55.01758	3.9
57.03327	19.0
59.01251	3.4
67.01770	1.9
67.39314	0.9
70.57064	1.9
70.57449	2.2
71.01242	7.7
72.99178	2.5
73.02830	2.2
75.00758	2.2
79.12512	1.0
83.01257	10.7
84.02039	2.8
84.58424	1.0
85.02824	100.0
86.03174	1.8
87.00761	1.7
89.02290	1.2
93.03336	6.5
95.78195	1.1
99.00773	1.1
101.02319	5.0
101.22244	1.1
105.03354	2.2
109.02810	1.6
111.00764	24.2
119.04905	10.4
122.03661	1.5
123.04433	5.3
129.01837	32.3
130.02159	1.1
133.02843	12.0
135.04260	1.2
145.02959	1.2
147.02908	3.5
151.03999	1.1
158.88496	1.0
161.04469	2.5
163.03914	7.6
173.04460	3.8
177.01831	2.5
187.02345	1.2
191.01894	3.8
191.05554	16.2
192.05919	1.6
195.02876	3.5
205.03488	17.7
218.52386	1.1
223.04553	29.3
233.72984	0.9
301.00665	1.1
325.57681	0.9
369.08212	1.4
380.48999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.2
57.03327	18.9
59.01253	6.7
67.01734	1.6
70.74742	2.9
71.01250	8.9
72.99197	2.1
73.02801	2.3
75.00758	3.3
77.58662	1.2
83.01256	14.5
84.02041	3.0
85.02828	100.0
86.03149	1.5
87.00755	3.1
93.03360	1.5
99.00769	1.7
101.02335	8.3
111.00774	35.2
112.01075	1.3
119.04924	14.5
129.01839	31.4
136.17926	1.1
137.05139	1.1
140.22946	1.1
143.03398	2.0
145.02806	1.3
147.02907	3.3
150.03104	3.3
161.04425	1.8
163.03947	11.3
165.05490	4.6
191.05545	2.0
205.03470	28.5
206.03925	2.1
223.04547	81.5
224.04889	2.2
240.53004	1.2
270.87897	1.2
277.97290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81867	2.4
55.01759	7.7
57.03323	26.9
59.01238	2.8
60.99155	3.6
67.01752	10.1
69.28943	33.1
69.29290	4.9
71.01247	10.5
83.01269	9.9
85.02824	94.4
87.00755	13.1
89.55352	3.0
93.03333	55.2
100.14156	2.5
101.02338	6.3
109.02808	3.9
111.00779	28.7
111.04391	9.5
119.04940	11.4
123.04424	57.7
127.03828	5.0
129.01843	28.1
133.02850	21.5
149.54132	2.8
151.03926	3.3
160.20583	2.8
163.03932	7.9
173.04468	18.3
177.01872	8.9
191.05537	100.0
192.05879	4.3
195.02863	5.9
205.03421	15.9
207.26523	3.4
215.08794	3.1
223.04541	23.2
329.89874	3.0
369.08109	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04832	0.6
52.43776	0.6
54.59465	0.6
57.21966	0.6
59.01252	5.9
70.47634	0.8
70.94482	1.6
71.01257	1.7
81.70293	0.7
86.54765	0.7
87.06625	0.7
89.02321	3.6
91.03883	13.1
95.04886	1.1
96.95909	1.1
97.02838	1.3
97.06478	0.8
121.02843	1.5
133.02827	1.7
149.06003	2.9
158.08264	0.6
167.10609	0.7
171.10135	1.4
179.14474	1.2
182.12100	0.8
193.08376	0.9
195.13844	7.2
222.08763	5.7
223.09468	2.0
223.13310	5.6
228.13670	0.8
256.13156	1.3
258.05035	1.6
261.11026	1.7
262.11847	4.3
275.20178	6.8
276.20432	1.0
293.21228	100.0
294.21652	8.4
297.17065	0.8
309.20657	4.8
331.18875	10.7
332.19293	1.9
337.11072	0.8
367.11743	4.5
367.15894	1.7
367.19934	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	368.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	6.2
69.82414	1.8
71.18102	3.9
79.95593	3.1
80.96387	2.9
83.01231	3.5
83.04882	2.2
85.02831	8.7
85.06452	4.1
94.06488	2.1
95.04892	2.6
97.02837	4.1
108.02077	2.0
109.02837	13.0
119.04927	19.8
120.05257	7.5
121.02830	4.7
121.54226	2.5
123.04398	14.5
133.02853	79.4
134.09633	4.2
135.04402	3.3
136.01585	2.6
139.03922	2.1
149.02327	3.9
151.03790	2.5
161.02338	3.6
162.12827	22.4
164.14348	19.8
165.01886	3.2
171.10156	2.5
172.11221	3.6
190.12305	75.6
191.12679	4.9
203.07127	3.2
205.05038	4.5
205.08809	3.5
206.15454	5.7
208.13368	54.2
209.13635	2.2
232.17035	90.6
233.17398	8.3
246.08743	2.5
247.06209	3.0
250.18114	3.5
269.04596	2.3
276.16052	99.2
277.16391	9.0
293.04538	21.2
294.17099	100.0
295.17334	9.1
297.03937	3.3
298.04764	3.6
299.05676	4.8
312.80182	1.9
325.14514	4.9
349.57825	2.1
351.08618	3.0
359.30994	2.2
368.20782	97.3
369.09692	33.5
369.13556	26.8
369.21301	10.9
369.26434	3.9
393.52988	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	367.2025
Annotation	Methoxyfenozide
Peak:m/z	Relative Intensity
51.64237	0.4
57.08718	0.4
70.87439	0.9
105.06992	7.8
140.41716	0.4
146.02397	1.3
149.05989	100.0
150.06339	4.3
165.05540	1.0
171.02634	0.5
204.13829	2.1
215.52797	0.6
311.13974	1.8
339.96881	0.6
367.20245	21.1
368.20715	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04832	0.6
52.43776	0.6
54.59465	0.6
57.21966	0.6
59.01252	5.9
70.47634	0.8
70.94482	1.6
71.01257	1.7
81.70293	0.7
86.54765	0.7
87.06625	0.7
89.02321	3.6
91.03883	13.1
95.04886	1.1
96.95909	1.1
97.02838	1.3
97.06478	0.8
121.02843	1.5
133.02827	1.7
149.06003	2.9
158.08264	0.6
167.10609	0.7
171.10135	1.4
179.14474	1.2
182.12100	0.8
193.08376	0.9
195.13844	7.2
222.08763	5.7
223.09468	2.0
223.13310	5.6
228.13670	0.8
256.13156	1.3
258.05035	1.6
261.11026	1.7
262.11847	4.3
275.20178	6.8
276.20432	1.0
293.21228	100.0
294.21652	8.4
297.17065	0.8
309.20657	4.8
331.18875	10.7
332.19293	1.9
337.11072	0.8
367.11743	4.5
367.15894	1.7
367.19934	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	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.1
59.01251	3.7
71.01251	0.9
71.58139	1.2
74.26919	0.7
83.04904	1.2
89.22561	0.7
91.03882	0.7
93.03383	1.0
105.06982	1.5
113.09615	16.6
121.02837	1.2
137.09579	1.7
139.11186	2.1
149.05989	39.3
150.06351	2.1
153.09094	0.7
155.10678	1.8
165.05493	0.9
167.10687	2.6
171.10197	1.0
179.10695	2.7
193.08649	0.7
195.13846	3.2
195.95979	0.6
204.13951	1.4
225.74722	0.7
249.22165	1.8
275.20215	1.2
291.19788	1.9
293.21234	100.0
294.21582	9.5
307.43695	0.7
309.20740	4.0
330.05521	1.0
331.18900	2.4
367.16394	6.6
367.20306	6.6
368.16690	1.3
368.20987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1658
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01247	9.2
71.58140	3.1
71.58496	3.6
73.15243	2.8
82.76415	3.2
96.95885	6.2
99.13403	3.4
111.08031	12.8
121.02840	7.9
149.06020	5.7
151.03909	3.8
169.12242	4.4
197.11768	54.6
211.13347	4.8
219.09970	7.4
246.52914	3.2
269.08002	12.0
291.19510	7.7
309.20712	35.4
310.20938	4.7
331.18750	4.3
343.11795	3.6
367.16409	100.0
368.16763	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	367.1655
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
57.03330	2.0
59.01250	5.2
69.82170	10.5
74.96063	3.1
81.83624	1.8
85.02819	2.0
93.03338	1.9
96.95871	2.9
97.37392	1.7
104.16143	1.7
119.08551	8.3
121.02828	1.9
125.09582	2.5
135.04398	1.9
137.09610	13.3
168.68474	1.6
171.08743	3.3
171.10173	40.2
172.10551	2.7
173.04515	1.8
183.10226	1.8
185.11740	7.6
197.11798	2.1
201.11235	4.1
207.10002	5.6
221.08206	2.6
229.04854	7.8
273.18436	4.3
291.19656	12.8
293.21234	4.2
309.20670	26.7
310.21204	2.4
313.17923	7.6
331.17862	3.2
367.16522	100.0
368.17105	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	367.1655
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01254	3.3
69.03309	2.5
69.23915	9.8
69.24339	11.4
71.01289	1.8
72.99178	2.8
79.31287	1.8
85.02809	2.2
96.95919	2.5
97.02832	12.5
97.06497	1.8
111.04404	4.5
121.02879	2.3
123.08047	4.2
124.45002	1.8
151.11166	5.3
177.12772	2.3
178.44974	2.0
185.11661	2.6
195.13814	3.2
221.11739	5.2
233.11575	3.6
239.12776	2.3
240.13681	3.0
247.20650	8.1
260.73984	2.1
261.11017	4.5
261.92343	1.9
262.11856	93.6
263.12280	4.2
291.19687	100.0
292.19992	5.9
293.21216	7.5
309.20724	68.7
310.21042	6.6
313.17737	3.1
331.18918	71.2
332.19061	7.2
343.31815	1.8
367.16531	74.7
368.16864	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86139	1.2
55.01751	6.4
58.00460	1.5
59.01252	34.2
68.05125	1.4
69.12281	1.4
69.50372	10.0
69.50777	2.3
71.01254	52.3
72.01573	1.5
72.99179	2.1
73.02825	32.2
83.01257	13.6
85.02339	2.8
85.02822	31.4
87.00738	3.4
89.02314	10.6
93.03311	1.9
95.01257	3.1
97.02806	1.9
97.77405	1.6
99.00756	14.7
101.02323	66.9
109.52712	1.3
111.00751	2.3
113.02337	23.6
119.04922	1.6
125.02338	2.7
129.01793	1.5
131.03381	1.6
134.03656	1.4
143.03433	3.5
149.02361	1.9
150.07684	1.3
153.98553	1.7
154.48137	1.4
159.02885	4.6
161.04460	21.8
169.08556	2.7
191.05571	4.9
193.04985	2.6
235.11823	100.0
236.12245	4.6
279.11072	1.4
297.90567	1.3
367.16071	92.9
368.16458	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	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.7
57.03322	5.2
59.01255	53.2
67.01756	2.1
71.01257	54.7
71.44407	3.3
72.94023	1.9
72.99176	4.5
73.02821	31.5
75.00721	1.8
83.01242	11.9
85.02827	43.9
87.00750	5.2
89.02322	13.3
93.03330	13.9
95.01276	5.0
96.95911	3.8
99.00780	14.2
101.02333	53.6
113.02338	23.1
117.03387	3.0
119.04934	9.8
121.02853	6.3
122.03616	2.6
129.01859	3.7
131.03307	2.2
134.03638	34.8
137.02327	5.3
139.03873	3.0
143.03455	2.0
149.02344	12.0
149.05948	3.3
151.03909	3.2
159.02925	8.1
161.04492	25.0
163.03891	5.4
170.81354	1.9
172.86020	2.1
173.04501	8.9
175.00221	3.2
181.23189	1.8
191.05548	33.0
192.05919	2.6
193.01355	5.5
193.05029	34.6
225.32640	2.3
235.11824	100.0
236.12163	4.2
243.35516	2.0
323.10306	3.0
367.16080	99.4
368.16577	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	367.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78328	0.2
56.17541	0.2
59.01250	1.7
63.41012	0.2
64.81237	0.1
65.52938	0.2
69.54184	1.0
69.54614	0.3
72.15170	0.2
79.95194	0.2
79.95600	1.2
96.95891	100.0
97.95840	0.3
209.11778	0.3
227.12813	1.2
251.56882	0.2
252.91025	0.2
254.49693	0.2
287.14984	2.9
367.10645	11.3
368.10989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40577	0.5
57.03316	1.6
59.01251	2.7
60.99158	1.5
67.01767	7.9
69.03320	2.6
69.36311	6.2
71.01270	3.4
71.60539	0.7
81.03325	1.6
83.04890	1.5
85.02827	3.5
87.00743	1.9
89.03860	0.7
90.01549	0.6
93.03341	42.4
94.03678	1.3
96.95906	1.2
102.82407	0.6
109.02813	1.7
111.00757	1.4
111.04417	7.5
117.03344	4.5
127.03957	0.7
132.10806	0.6
134.03636	29.8
136.75688	0.6
137.02350	6.5
149.06013	1.3
155.03442	4.7
173.04478	100.0
174.04852	3.4
191.05544	19.3
193.04984	19.2
194.05457	0.8
272.97754	0.7
367.10336	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83944	0.5
57.03315	0.5
59.01239	1.8
60.05871	0.5
67.01760	1.8
69.03281	0.6
69.25328	5.1
71.01254	1.3
73.02819	0.8
81.03341	0.6
85.02827	9.9
87.00751	3.4
93.03338	10.2
96.95890	1.8
99.04427	0.7
109.02818	0.7
111.04406	1.8
127.03888	1.5
129.01801	0.8
134.03624	5.4
171.02840	0.8
173.04485	4.3
175.03955	0.7
191.05542	100.0
192.05923	3.3
193.05011	2.2
366.76102	0.5
367.10461	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	367.1034
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
53.48254	0.4
54.12966	0.4
59.01254	8.3
67.99864	0.4
69.52514	3.4
71.01276	0.9
83.04900	1.6
85.02815	1.9
87.00755	0.5
89.03852	2.5
93.03347	3.2
98.19849	0.5
99.00771	0.5
101.02424	0.5
106.04169	0.4
111.04405	2.8
117.03358	8.7
118.03739	0.6
119.04932	0.7
129.01843	0.4
134.03632	100.0
135.03957	3.1
137.02348	1.0
143.03456	0.4
149.02361	1.0
149.05995	6.6
155.03395	2.8
161.04457	0.5
163.03871	0.4
173.04453	5.4
178.02586	0.6
191.01825	1.0
191.05527	6.3
193.04993	99.7
194.05319	4.6
194.50063	0.5
252.07668	0.4
265.13019	0.6
302.26782	0.4
367.10361	3.7
367.15152	0.6
368.10452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.8
60.50608	0.3
61.65744	0.4
69.90888	0.7
69.91304	1.2
70.02844	0.5
88.15012	0.4
91.05418	0.5
102.03381	0.6
104.04974	0.8
105.06974	0.7
106.06512	0.6
108.00391	0.4
119.04932	0.6
120.04445	1.4
121.02837	0.5
130.06570	0.8
132.04433	1.7
146.06033	4.1
148.07591	51.1
149.06017	1.9
149.07938	2.2
162.05602	0.4
164.03426	0.4
190.95897	0.3
192.06796	0.5
233.19087	0.5
262.56046	0.3
266.91882	0.3
283.50516	0.3
293.21313	0.6
348.26096	0.4
349.13940	0.4
366.24384	100.0
367.20819	0.5
367.24738	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	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18380	1.5
55.01751	3.0
57.03317	12.2
59.01253	16.6
67.01753	6.9
68.32184	1.6
71.01247	11.4
71.58423	2.0
72.99211	2.5
73.02813	3.1
81.03317	2.4
83.01262	3.1
83.04909	2.0
85.02824	69.4
87.00751	4.5
89.03841	3.6
93.03334	44.3
96.95898	13.0
99.00774	3.3
101.02337	3.3
109.02847	2.0
110.34363	1.7
111.00774	9.4
111.04398	8.6
117.03317	9.2
119.04919	22.3
129.01826	21.5
134.03633	100.0
135.03984	4.0
137.02373	5.1
138.05545	1.7
142.06494	1.7
143.07019	1.8
147.02904	4.2
149.02419	2.2
149.06007	6.2
155.03429	4.0
160.01578	5.3
163.03914	16.8
167.32883	1.6
173.00810	3.2
173.04477	96.6
174.04794	2.2
175.03918	3.2
178.02664	3.0
191.01907	17.7
191.03529	1.9
191.03850	2.3
191.05531	23.9
193.04993	80.2
194.05380	5.4
202.77657	1.5
232.47063	1.6
235.11859	3.4
323.07883	3.1
367.10526	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	365.2697
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
56.75367	0.4
59.01236	1.0
59.39305	0.4
69.62617	1.9
69.63040	1.4
76.06216	0.4
85.06465	2.5
106.88263	0.5
120.33062	0.4
199.13362	1.5
219.17545	1.0
251.20003	0.8
261.18646	1.1
279.19666	17.5
280.20020	1.0
283.26404	0.8
292.40659	0.6
332.58417	0.5
347.25885	6.1
348.26273	0.9
363.25531	1.1
365.26962	100.0
366.27286	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
60.36439	0.2
71.01179	0.6
72.99185	0.3
73.02840	0.3
80.07614	0.3
83.01263	0.2
85.02811	0.4
87.00751	0.4
89.02316	0.4
96.95878	0.5
97.03663	0.2
101.02348	0.6
113.02330	0.3
116.01664	1.0
118.02877	1.6
128.07048	1.4
131.03659	1.5
132.04457	6.1
133.04822	0.3
150.05507	0.7
159.03171	22.4
160.03951	100.0
161.04340	4.2
204.02968	7.5
205.03230	0.3
312.11063	0.4
318.89371	0.3
322.09314	17.7
323.09647	1.5
330.11893	0.6
366.08313	13.8
366.13834	0.8
367.08749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63179	0.5
57.03302	0.9
59.01247	4.2
61.98669	0.5
73.63409	0.5
77.85497	0.5
83.04875	0.7
95.04900	0.7
97.06468	1.1
109.06432	0.5
110.96954	0.5
111.08065	2.6
115.03800	0.5
121.10130	5.6
123.08000	0.9
125.09635	4.7
127.11191	0.6
137.09631	0.5
147.08151	0.7
167.10710	0.7
177.12732	0.8
185.11752	8.0
195.13887	2.2
197.11789	1.7
201.02371	0.7
209.11757	2.3
211.13344	0.9
231.09972	0.7
245.19025	0.9
247.20644	2.5
263.20068	1.6
267.07642	2.1
273.18585	2.8
289.18164	2.2
291.19659	100.0
292.20004	8.5
307.18970	0.7
365.15164	5.0
365.19611	0.9
365.23615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
59.01255	5.1
71.01228	0.7
71.06626	1.6
74.26550	0.5
80.23296	0.6
83.04906	1.2
89.02342	0.6
91.03882	1.6
96.95881	1.0
97.06454	1.4
102.40675	0.6
107.08492	0.8
121.10111	3.9
123.08044	0.8
125.09622	4.7
127.11163	1.5
153.12752	1.2
168.35249	0.5
177.12927	0.6
185.11748	4.0
189.25475	0.6
197.11818	0.6
200.18636	0.5
201.02504	1.4
203.14343	1.4
211.13394	1.1
223.13316	0.7
229.19618	1.1
245.19272	0.6
247.20699	3.5
262.49933	0.6
263.20154	10.2
273.18625	10.0
283.26483	0.9
291.19662	100.0
292.19998	10.1
347.25922	4.1
365.23282	4.2
365.27060	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	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
59.01253	4.8
67.31288	0.9
71.04906	3.0
71.59306	1.2
80.96401	1.6
83.04898	1.7
91.03890	1.7
96.95872	2.0
97.06445	1.7
111.08048	6.8
123.72118	0.9
125.09573	1.1
137.09645	1.1
149.19563	1.0
167.10733	1.1
170.70575	0.9
177.12701	1.5
179.10704	2.1
189.06866	1.0
190.57434	0.8
195.12202	1.0
195.13776	4.7
201.02451	1.0
247.20680	3.6
263.20157	2.0
273.18643	2.9
279.84586	0.9
291.19678	100.0
292.19998	8.4
314.16916	1.1
365.23306	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01599	1.3
69.53873	1.9
69.54295	2.9
71.01262	1.2
96.95926	0.8
98.19678	0.6
101.02306	0.7
131.03732	0.6
160.03978	0.7
177.04288	1.6
208.13518	0.7
288.12515	1.1
306.13470	8.0
366.15604	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12505	0.6
57.03328	1.0
59.01257	6.1
69.03326	0.6
71.01287	0.6
71.58040	0.9
73.12257	0.6
80.96391	0.9
82.18022	0.6
83.04899	1.8
85.01047	0.6
89.48782	0.6
89.97207	0.6
91.03860	0.8
93.03354	0.7
109.06448	0.7
111.08035	7.9
125.09602	2.8
127.11158	1.5
127.58056	0.8
135.11699	0.8
137.09592	0.8
143.44775	0.6
149.09636	0.7
153.12756	1.1
167.10687	2.1
177.12788	2.2
179.10683	1.9
184.08578	0.7
195.13835	5.9
229.19571	0.6
247.20657	5.0
263.20157	2.5
273.18604	4.6
274.18814	1.0
291.19666	100.0
292.19995	8.9
365.23398	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86052	0.5
51.91514	0.4
52.32994	0.5
57.03321	1.2
58.00465	1.0
58.26714	0.6
59.01252	28.7
59.65123	0.5
69.66842	3.0
71.01257	18.6
71.04904	0.5
72.99182	2.3
73.02825	1.7
75.00741	0.6
77.10137	0.5
79.27814	0.6
83.01257	2.4
85.02818	4.5
87.00729	1.6
89.02319	15.9
95.01259	1.2
96.95895	5.1
98.20494	1.0
99.00768	1.0
101.02323	13.1
108.44827	0.6
113.02351	6.8
113.56173	0.5
119.03390	6.2
127.11220	3.3
139.11148	0.9
141.12801	0.6
155.10696	2.3
157.12256	18.4
160.03877	0.5
161.04515	0.9
171.13849	1.0
185.11806	2.6
187.13312	1.3
199.11711	0.5
199.13387	2.0
200.20309	0.5
202.97946	0.5
203.12828	48.0
204.13142	2.8
239.01472	0.6
245.13983	1.4
365.18152	100.0
365.59256	0.5
366.18497	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11790	0.5
55.01748	0.7
55.83483	0.5
57.03318	1.3
58.00462	1.5
59.01250	35.4
69.49198	1.1
69.49604	3.4
70.68722	0.6
71.01250	18.9
72.99166	2.1
73.02815	1.9
74.36483	0.6
75.00748	0.7
83.01243	1.8
85.02820	5.3
87.00742	1.7
89.02311	15.2
91.26488	0.5
95.01263	1.4
96.95891	8.4
99.00736	0.9
101.02320	13.4
106.75181	0.5
110.83347	0.5
113.02322	6.0
113.09603	1.0
116.04943	0.7
119.03387	5.2
127.11191	1.6
131.03365	0.7
139.00346	0.5
139.11176	0.5
142.06525	5.3
143.03349	0.8
155.10675	2.4
157.12248	14.5
158.05942	0.7
167.03392	2.2
171.13892	0.8
178.84023	0.6
179.05492	0.9
185.11749	2.7
186.05502	2.4
187.13303	0.8
191.03409	0.9
199.13341	1.8
203.12819	45.1
204.06538	2.1
204.13133	2.3
245.13855	1.4
247.50308	0.5
365.18130	100.0
366.11990	2.9
366.18430	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	365.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.2
68.01296	1.0
69.26096	8.1
71.01260	1.0
72.00786	2.6
73.02811	0.9
74.02354	5.2
86.02351	12.2
92.04938	3.2
93.03340	1.3
96.95906	3.8
98.20526	1.2
100.00324	1.2
112.00285	9.7
116.04974	0.9
117.03355	18.6
118.02875	0.9
118.06510	0.8
119.04920	78.3
120.04465	0.9
120.05262	3.1
129.05643	0.8
130.06522	1.9
131.03677	8.3
132.04456	17.6
144.04471	14.2
145.02861	100.0
145.58707	0.7
146.03239	3.6
146.04803	1.7
146.06021	1.8
157.07626	73.7
158.06033	8.7
158.07948	1.9
162.05507	7.8
163.03845	0.9
173.03496	1.5
173.07037	1.1
174.05504	0.9
175.08638	3.3
188.07144	4.5
190.08627	0.7
201.06619	8.9
202.05107	1.1
208.07298	0.8
219.07701	83.6
220.07997	3.8
224.07086	1.0
224.33241	0.8
232.06163	1.5
245.05661	1.9
250.08762	1.6
277.13297	0.9
285.83606	0.7
293.09274	2.9
303.11417	1.1
321.12686	1.6
347.10449	2.6
365.11417	37.8
366.11938	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	365.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52921	0.9
58.02828	0.8
59.01249	11.5
71.01254	5.2
72.00764	2.2
73.02809	2.1
74.02332	4.7
85.02834	1.8
86.02347	16.1
89.02332	2.8
89.86668	0.9
92.04916	3.0
93.03330	1.9
96.95883	1.5
100.00313	1.0
101.02314	2.1
102.09395	0.9
112.00271	12.7
113.00613	1.0
113.02281	1.5
117.03350	11.7
118.02885	1.9
119.04919	50.8
120.04463	1.6
120.05248	2.1
128.97780	0.8
129.78604	0.9
130.06493	1.0
131.03665	5.5
132.04440	17.3
133.53777	0.9
144.04468	13.1
145.02852	100.0
146.03174	3.6
146.04706	0.8
146.05983	1.0
157.07617	33.3
158.04865	1.2
158.06044	6.5
158.07945	1.5
162.05510	3.5
172.02669	3.0
173.03432	3.7
173.07051	1.1
175.08655	1.7
183.05548	4.1
188.07077	3.0
193.58946	1.0
196.07610	3.8
198.84499	1.0
201.06667	5.9
207.06900	1.0
214.04985	1.1
219.07690	74.7
220.08090	5.3
222.09227	3.7
224.07095	9.9
227.08177	1.1
229.31995	1.2
234.09192	1.4
235.06483	1.2
235.09535	1.2
245.05627	2.7
250.08742	3.9
251.08351	4.4
265.09860	1.1
277.13510	1.1
293.09421	5.4
303.11578	1.4
321.12415	2.3
323.13089	1.7
347.10477	1.9
365.11395	59.9
366.11743	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	365.1143
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
54.66165	0.3
59.01258	0.7
64.82283	0.2
68.44789	0.3
69.91994	0.9
69.92426	1.0
80.97639	0.3
84.04443	0.4
86.02336	0.7
92.04939	1.3
93.03342	1.9
107.34373	0.3
108.73763	0.3
112.00301	1.6
113.70598	0.3
116.04964	0.6
117.03363	1.9
117.04485	0.4
117.46698	0.3
118.06504	0.3
119.04914	100.0
120.05241	3.2
130.06561	0.5
131.03659	6.4
132.04449	9.1
133.04808	0.4
133.06453	0.3
144.04469	2.7
145.02873	15.3
145.03972	2.6
146.05998	1.3
146.07085	0.3
147.08041	1.0
156.50362	0.3
157.07617	6.4
158.06033	7.4
162.05513	18.0
163.03902	2.1
163.05867	0.5
172.07492	0.4
173.03470	1.2
173.07185	0.3
174.05484	0.4
175.08655	0.6
176.07149	0.4
187.05067	0.4
188.07097	3.8
189.07454	0.4
190.08640	1.1
199.63780	0.4
201.06631	6.6
201.08391	0.6
215.08330	0.5
219.07706	9.7
220.08104	0.5
232.06122	1.0
245.05501	0.6
250.08659	2.3
275.11893	1.1
277.13318	0.4
293.09256	3.2
303.11365	2.4
321.12659	1.4
347.10352	0.5
354.10516	0.3
365.11395	39.8
366.11765	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01299	1.5
60.59763	0.3
60.63238	0.4
62.55959	0.3
70.92700	1.1
71.01322	1.0
72.00806	0.4
73.02853	0.9
74.02399	1.5
74.41682	0.3
86.02341	3.2
89.02366	0.7
92.04993	0.6
96.95893	2.0
99.18200	0.4
101.02395	0.6
112.00336	1.7
117.03354	3.8
119.04911	16.3
120.04455	0.4
120.05279	0.7
125.18295	0.4
130.06546	0.4
131.03662	2.1
132.04446	3.2
144.04454	3.2
145.02850	21.2
146.03229	1.1
146.04883	0.5
146.06052	0.9
157.07620	15.4
158.03654	14.8
158.05995	2.2
158.08014	0.7
159.04434	5.4
162.05563	1.5
165.75323	0.4
171.04405	2.0
173.02374	0.6
175.03905	0.9
175.08772	0.5
188.07141	0.7
200.04228	0.4
201.01909	0.9
201.05467	2.0
201.06827	1.2
202.02650	100.0
203.03178	7.3
213.05499	2.9
219.07703	16.6
220.07813	0.6
231.06537	1.1
245.04530	1.2
275.05487	1.4
365.08502	31.6
366.08926	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	363.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00024	11.5
59.01255	26.3
71.45445	22.0
119.08563	86.5
125.09618	39.8
145.41074	11.5
178.65561	12.2
201.11240	46.1
213.11270	26.4
289.18091	43.6
309.20612	16.1
313.86905	11.2
327.21729	100.0
363.21698	96.9
363.25723	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	363.1965
Annotation	Machaeriol C
Peak:m/z	Relative Intensity
58.67432	0.8
59.01255	1.5
70.12382	1.6
70.12748	3.6
93.03331	6.3
96.95905	3.5
107.86060	0.8
135.04398	2.3
137.86131	0.9
145.02872	2.5
146.03624	1.2
146.84146	0.9
147.04411	2.6
157.09555	0.9
159.04401	2.4
169.06487	1.4
173.06024	2.6
180.05824	0.9
187.07578	3.9
195.08060	1.9
197.06059	5.5
198.06822	1.2
209.06136	1.6
210.06653	1.4
211.07646	1.0
225.05507	10.8
226.06232	1.9
234.72589	0.9
237.05516	1.0
238.06357	5.8
239.07109	28.4
240.07587	2.2
241.08664	1.8
251.07149	15.3
252.07777	2.0
253.08704	1.5
257.15466	3.6
279.10236	1.7
295.37344	1.1
363.19626	100.0
363.28180	5.4
364.19922	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	363.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41470	0.5
57.03323	0.6
59.01247	1.6
71.35464	0.9
80.10837	0.5
83.04920	1.0
93.32838	0.5
99.04394	1.6
111.04405	0.9
117.20343	0.5
125.09590	0.9
135.07994	0.5
136.05208	1.5
137.05962	1.8
149.06032	2.7
149.09532	0.9
150.06776	23.7
150.07988	1.2
162.06779	100.0
163.07494	10.9
164.08246	1.1
173.05980	0.7
174.06740	0.7
176.08351	8.0
177.09128	64.3
178.09441	3.8
185.11761	33.5
185.13463	1.2
186.12128	1.8
190.09773	0.7
208.01569	0.5
284.35794	0.6
286.19406	2.0
290.15024	0.7
301.21692	3.4
327.19763	1.2
330.18509	1.4
345.20697	22.7
346.21066	2.9
363.13391	1.0
363.21747	10.8
364.22205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74992	1.0
57.14532	1.3
59.01256	21.1
79.84266	1.0
84.30315	1.0
89.59105	1.0
90.25346	1.0
120.30195	1.2
131.53505	1.0
141.85300	1.0
199.25226	1.3
217.79089	1.1
279.23303	100.0
280.23611	10.7
361.15262	4.4
361.23489	11.8
362.24048	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	361.2748
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
59.01240	0.9
71.01250	0.5
71.53727	0.3
71.58531	0.5
129.22295	0.4
138.84445	0.3
253.42191	0.3
343.46820	0.5
361.27487	100.0
362.27850	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24853	0.5
59.01253	100.0
64.67052	0.5
69.85380	3.5
71.01253	6.3
73.02821	4.2
74.57529	0.5
75.00726	0.5
78.44003	0.5
83.01270	1.6
83.18772	0.5
85.02852	1.5
85.40024	0.5
89.02332	2.8
96.95882	8.6
101.02330	4.6
113.02334	3.0
117.03413	0.8
119.03435	1.5
139.98380	0.5
142.64598	0.5
160.07588	0.8
161.04570	0.9
173.06084	0.6
201.05487	1.3
201.11314	0.9
223.87617	0.5
229.14488	1.4
247.78246	0.5
274.10730	0.7
304.12125	2.3
319.11047	1.1
322.12878	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01590	1.3
60.64826	0.5
68.55491	0.6
69.23898	6.9
71.01272	1.1
73.02803	0.8
85.02873	0.7
96.50233	0.6
96.95946	1.2
101.02332	0.9
104.33614	0.5
105.17732	0.5
117.66109	0.6
117.67068	0.5
145.72723	0.6
152.07501	0.6
187.93549	0.6
201.11296	1.0
278.57690	0.5
363.09955	0.8
363.16882	0.9
363.24042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
71.01245	0.6
72.48653	0.5
74.02341	2.7
81.03337	2.8
95.04951	0.8
98.02364	1.8
105.03311	0.7
107.04942	0.7
108.02064	0.9
109.02829	3.8
114.15437	0.6
121.02847	0.6
122.03608	1.0
123.04415	43.0
124.04761	2.1
125.02341	3.5
133.02855	2.3
135.04399	1.2
137.02325	4.2
150.86795	0.5
151.03918	100.0
152.04294	3.8
153.01700	0.6
153.05489	2.4
154.05783	0.8
163.87262	0.5
177.01793	0.5
194.08267	0.8
195.02936	27.8
196.03674	3.2
197.04501	5.3
207.11369	0.6
229.31392	0.6
242.05814	0.5
263.40915	0.6
269.11450	1.6
304.04929	0.5
314.13596	0.8
358.09033	32.6
358.16107	1.3
359.09631	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	23.8
68.45107	0.6
71.53966	1.0
94.74028	0.6
105.17403	0.5
115.12315	0.5
176.20299	0.5
215.56908	0.6
277.21729	100.0
278.22101	7.6
302.21884	0.6
347.92337	0.6
359.22040	12.7
360.22562	0.8
384.96994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59819	0.4
57.03313	1.7
57.03567	0.4
59.01255	2.5
61.15177	0.4
71.01219	0.4
71.56194	0.4
71.58697	0.8
74.76943	0.4
99.71617	0.4
125.09636	0.4
127.11188	0.7
133.64613	0.4
135.04369	0.7
141.12720	0.4
158.28064	0.4
185.31360	0.4
217.00240	2.0
269.64474	0.4
271.22687	0.7
295.22766	0.7
297.20541	0.5
311.22159	0.7
311.25882	1.0
313.23828	8.8
314.24310	0.7
341.26999	1.6
357.26523	1.2
359.28021	100.0
360.23834	0.6
360.28366	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	359.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91091	0.2
57.03315	1.4
59.01243	0.4
69.03311	0.6
81.85052	0.2
127.11171	0.6
137.09590	0.3
137.73254	0.2
141.12744	0.3
155.14246	0.2
169.04953	0.2
171.10117	0.3
185.11786	0.5
203.68036	0.2
229.20467	0.2
230.92303	0.2
235.27893	0.2
263.73520	0.2
271.22794	0.3
295.22717	0.4
311.22174	0.7
311.26007	1.2
313.23859	8.0
314.24136	0.6
325.23972	0.3
339.24915	0.3
341.26822	1.7
357.26358	1.2
359.28018	100.0
360.28372	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	357.2647
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.06132	0.3
57.03313	0.4
59.01257	0.5
70.34229	1.2
71.04881	0.4
85.02856	0.3
93.03324	0.3
97.06480	0.3
110.66065	0.2
121.02827	0.3
127.11178	0.6
131.35612	0.3
135.04390	0.3
137.02408	0.3
139.11180	0.6
147.04329	0.3
171.10172	1.3
185.11758	3.2
199.13329	0.8
225.14886	0.5
227.16489	0.3
251.42834	0.3
269.17557	0.4
297.24237	2.2
298.24615	0.4
309.24310	2.3
311.25900	0.6
321.24295	0.7
325.23837	1.6
327.25391	20.3
328.25739	1.6
339.21631	0.5
339.25354	4.2
355.24854	1.2
357.26443	100.0
358.26825	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98984	4.2
57.11780	4.7
59.01250	100.0
65.81751	4.2
71.59096	4.8
71.59530	5.2
94.03711	5.0
108.45255	5.1
109.02818	6.0
119.04904	38.9
120.05240	34.3
121.02841	78.2
121.05515	8.7
122.03183	5.5
135.04434	20.8
144.80081	4.9
146.03735	4.7
146.75079	5.9
147.60933	5.3
151.04004	24.9
163.03929	6.0
164.04337	9.1
165.05412	17.2
166.05803	16.6
167.06021	12.3
172.00056	5.1
195.06541	4.8
201.11258	6.5
221.16631	5.2
223.13434	6.1
235.09875	5.3
236.10039	9.3
237.10292	16.0
245.24234	5.5
245.63394	4.9
272.03033	7.0
278.36450	5.0
288.05237	5.7
313.07162	7.0
314.16501	4.6
357.06137	19.6
357.13077	25.0
357.17096	11.6
357.26602	23.1
365.87839	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	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03312	0.5
59.01251	0.5
59.42117	0.2
62.40803	0.3
71.07608	0.7
90.25327	0.3
109.02840	1.1
119.04910	0.4
121.02837	1.9
123.04392	1.1
124.00101	0.3
124.04775	0.3
135.04408	1.0
137.02306	0.3
138.03055	0.4
139.11172	0.9
139.29361	0.3
141.09193	0.3
141.12698	0.6
149.09616	0.4
151.03883	1.1
153.05396	0.5
155.14291	0.3
161.75677	0.3
162.02629	0.3
163.03944	0.3
165.05495	0.5
171.10304	0.5
175.07652	0.4
178.95807	0.4
185.11763	5.0
186.12195	0.4
191.10699	1.7
203.10704	0.4
205.08636	1.1
297.24319	2.8
299.12967	0.4
303.23349	0.4
309.24377	2.8
310.24655	0.3
311.25961	0.5
321.24213	0.6
325.23883	1.4
327.25400	19.2
328.25815	2.1
337.23972	0.3
339.25330	3.3
340.25720	0.5
355.24951	1.1
357.26456	100.0
358.26813	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02634	1.8
57.03311	4.1
59.01242	8.2
69.03292	2.2
69.45139	15.5
71.01250	4.3
71.04885	3.9
73.02808	3.6
79.05407	2.3
80.02546	2.9
81.03321	2.8
83.01251	2.2
85.02822	2.5
85.06453	2.2
87.04394	4.0
90.81543	1.8
91.54942	1.8
93.03310	6.1
95.04912	1.8
97.02844	3.7
97.06473	5.9
98.19820	3.3
106.04220	2.1
108.02061	8.4
109.02856	3.0
109.06473	32.5
113.05927	3.1
115.91583	1.9
119.04871	3.5
121.06493	10.4
123.04447	3.1
123.08045	36.2
125.05956	3.6
125.09634	23.3
127.11175	7.4
137.05986	23.9
137.09589	3.0
138.03111	5.9
139.07549	5.1
139.11153	4.2
141.05495	5.4
149.05965	4.7
151.03922	4.4
151.07507	9.2
155.07094	4.5
155.10706	6.3
157.12271	2.8
167.07051	97.1
167.10637	2.6
168.07353	3.4
169.12251	4.7
171.10191	48.6
177.05414	3.1
183.01109	3.1
183.10037	2.4
185.08174	6.0
185.11713	2.6
187.09755	3.6
191.07162	2.4
199.09721	5.3
201.11258	100.0
202.11668	5.3
203.07028	3.1
213.11253	6.3
215.12843	2.2
217.10699	2.9
221.08072	2.6
229.10767	14.3
239.12859	2.1
242.25626	2.2
251.12912	2.8
251.16319	2.4
251.20090	2.1
277.18103	3.6
285.15088	3.7
293.17654	2.8
303.16031	16.0
304.16220	2.4
321.17041	66.5
322.17340	6.0
327.25433	2.4
329.23233	3.9
339.12445	2.3
339.18286	4.7
357.09634	2.5
357.13504	7.0
357.17523	10.6
357.26447	66.1
358.26801	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.6
69.90381	0.6
71.01245	1.9
72.03951	0.7
73.02814	1.7
79.59484	0.7
84.96698	0.6
85.02850	0.8
93.03314	1.0
95.01270	0.9
95.04887	1.4
101.02351	0.9
109.02842	1.2
122.03638	0.8
123.04412	95.9
124.04748	3.3
135.04422	2.7
137.02385	0.7
151.03967	3.3
153.05490	100.0
154.05855	4.1
173.04495	1.3
195.06621	1.7
199.78590	0.7
203.34973	0.7
234.69601	0.7
237.04013	1.7
251.35631	0.6
298.93353	0.7
315.10956	0.8
357.07904	0.7
357.11929	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	357.1343
Annotation	Margicassidin
Peak:m/z	Relative Intensity
59.01240	1.4
61.70836	0.5
62.71282	0.4
65.03826	2.3
65.65162	0.5
79.05412	0.7
91.05408	14.4
91.05956	1.0
93.03316	2.9
95.04920	0.5
105.03391	1.0
109.02834	14.3
119.04926	3.5
121.02832	10.1
123.04415	3.7
127.60284	0.5
135.04414	100.0
136.04758	3.3
137.02348	1.5
142.70081	0.6
147.04410	1.5
149.02376	0.9
151.03917	0.8
157.08604	0.8
159.04463	0.9
161.02373	0.5
163.03915	25.1
164.04231	1.2
165.05490	2.5
165.59027	0.6
171.10303	1.0
174.03139	1.8
175.03857	0.7
175.07581	2.0
177.05612	0.6
193.08589	2.7
205.08629	1.6
209.08049	1.0
217.08652	3.8
217.10704	0.8
223.09740	1.2
235.09714	24.6
236.10068	1.7
237.11263	2.6
269.08121	0.8
285.07645	0.6
313.14502	2.7
339.12329	1.0
357.06238	1.2
357.13388	21.5
357.16971	1.4
357.26376	4.4
358.13702	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	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.53096	0.9
56.89265	0.9
59.01251	25.3
69.61481	3.9
69.61918	3.8
71.01248	1.3
73.02807	1.2
85.02814	1.3
96.95885	1.4
98.19791	1.5
101.02338	1.4
108.02037	2.7
109.02818	1.7
113.60042	1.0
119.04916	3.2
121.02834	3.3
123.04403	5.6
124.01549	1.5
126.04141	1.0
135.04427	10.8
136.05225	13.6
137.02344	1.6
137.05467	0.9
150.03065	1.8
151.03915	12.1
151.07539	4.2
152.04710	2.3
153.01855	1.5
163.07802	0.9
167.07028	1.0
195.06564	100.0
196.03722	4.5
196.06862	5.8
211.06120	2.1
245.73940	0.9
303.00143	1.0
342.09552	1.8
357.11996	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Junipetrioloside A
Peak:m/z	Relative Intensity
59.01247	1.0
69.03316	1.0
71.01270	1.0
71.58191	1.2
81.03344	1.6
85.02825	1.0
87.45731	0.6
96.95905	2.2
98.02331	0.7
107.04917	1.1
108.02020	1.2
109.02822	4.0
111.00740	1.0
112.03946	0.9
116.53944	0.7
121.02899	1.1
122.03561	0.8
123.00809	1.7
123.04408	30.0
124.01584	2.0
124.04714	0.7
125.02332	2.6
128.35263	0.8
130.08672	0.9
133.02902	1.2
135.04399	2.4
136.01572	1.7
137.02353	20.6
139.00230	1.1
139.03926	2.2
144.01813	0.7
146.78281	0.6
149.02371	1.5
149.06017	0.9
150.03043	1.0
151.03918	100.0
152.04716	29.9
153.01819	3.5
153.05386	2.6
161.02379	1.4
165.01869	1.4
167.07071	13.4
177.01828	1.9
178.02646	2.4
179.03346	0.8
189.01871	0.8
191.03403	0.9
193.04968	3.3
195.02930	13.3
195.06604	2.1
196.03703	45.1
197.04065	2.6
211.06064	26.5
212.06429	1.5
216.03008	0.9
244.20135	0.9
249.28084	0.9
269.11484	1.0
298.10733	1.7
314.13531	1.1
342.05548	1.5
342.09558	26.1
343.09912	2.4
357.11890	40.1
358.05829	1.6
358.12244	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	357.0617
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.88364	0.2
53.08199	0.2
53.50485	0.2
90.45281	0.2
93.03352	2.1
98.19750	0.6
101.34481	0.2
109.02844	0.4
112.35935	0.2
121.02847	100.0
122.03159	3.0
135.04414	0.7
137.02304	0.3
163.03899	0.4
163.07568	0.3
165.01857	1.4
179.41347	0.2
180.05748	1.9
181.06516	6.5
182.06827	0.6
199.07561	0.3
205.08681	0.4
225.05534	6.4
225.07758	0.3
226.05876	0.4
247.09656	0.3
255.14949	0.3
297.24103	0.4
313.07172	6.8
314.07571	0.5
327.25308	2.5
339.25424	0.5
357.06171	23.2
357.13388	1.1
357.26447	9.7
358.06412	2.4
358.26840	0.4
365.71915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45588	4.7
57.03289	6.0
59.01251	40.7
65.42735	4.7
70.58101	11.5
70.58463	12.0
71.01255	32.2
72.99184	9.4
73.02797	5.0
75.00742	54.3
78.95775	5.1
85.02824	21.6
87.00745	19.5
89.02318	26.2
99.00748	9.8
101.02326	18.4
101.66984	4.5
105.01757	5.1
108.90073	7.1
111.00783	6.9
113.02321	11.0
120.47475	5.0
129.01826	22.5
141.01784	6.6
159.02896	8.3
177.74687	5.3
191.05432	5.3
229.61057	4.6
345.98810	5.2
357.10391	100.0
358.10812	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	356.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62567	0.7
59.01246	2.5
64.13902	0.9
71.06353	0.8
71.58464	1.0
73.33839	0.8
74.02348	1.0
84.00769	1.0
85.02828	2.1
86.02354	1.2
96.95869	0.9
100.00261	1.5
113.02267	0.9
116.04993	1.7
121.02811	1.1
129.17558	0.8
130.08649	2.6
132.06543	1.4
136.01602	5.9
142.06543	1.2
151.03908	10.6
153.01904	0.9
165.04512	1.0
167.06068	100.0
168.04514	5.0
168.06380	4.2
169.03963	3.6
179.06053	1.6
181.05234	0.9
181.07573	4.5
182.04707	1.5
192.05620	1.3
193.07617	3.9
194.04716	1.1
195.05548	14.0
196.06203	1.6
197.07158	13.9
197.11838	0.9
198.05569	1.8
206.07173	2.5
207.05550	0.9
209.07121	13.6
210.06720	1.8
211.04962	1.1
222.06650	19.7
223.06857	1.2
223.08965	1.3
224.08226	6.4
225.06673	8.7
234.06697	2.8
236.08260	37.2
237.08553	2.4
238.09789	1.6
240.07877	1.5
240.12305	1.6
248.08221	6.8
250.06110	1.6
250.09894	1.5
252.07805	7.2
254.09357	19.9
255.09584	1.4
264.07779	46.2
265.08105	3.5
266.09341	40.4
267.09720	3.7
268.07327	1.8
269.05627	3.2
276.07822	1.2
280.07324	2.4
282.08865	14.9
284.10410	28.4
285.10703	2.3
294.08847	87.7
295.09055	6.8
298.08475	1.8
308.06793	5.5
312.09921	32.3
313.10254	2.4
326.07809	27.8
327.08136	3.6
338.07813	6.1
342.11057	1.5
356.08875	69.6
356.17105	3.8
357.09244	7.4
357.13586	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.91697	1.2
51.96520	1.1
53.51018	1.1
54.76440	1.2
59.01262	1.5
62.86622	1.0
71.49857	1.9
78.72444	1.1
85.02830	4.2
94.35769	1.2
97.81080	1.2
109.02835	4.2
111.00739	2.0
122.03618	10.3
127.07545	2.3
135.04422	34.2
136.01559	2.0
136.04776	1.4
147.08073	2.6
149.05971	2.2
149.09575	8.4
151.07558	2.7
154.02592	3.6
161.09572	8.4
163.07518	4.4
163.11192	56.5
164.08327	18.3
164.11491	1.6
165.09148	11.6
167.33392	1.1
177.09126	71.0
178.09880	23.2
179.10696	80.8
180.11049	4.6
183.10159	2.5
187.11227	1.4
191.10735	14.1
193.08615	10.8
244.38844	1.3
265.12289	1.8
269.59427	1.3
280.14688	2.9
298.15717	53.1
299.16141	5.6
307.16858	1.7
321.18518	1.6
337.21725	47.6
338.22073	5.4
340.20407	85.4
341.20755	8.7
343.26520	1.2
355.22772	100.0
356.23126	11.3
359.56259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62936	1.0
57.03332	2.1
59.01243	5.2
69.03336	1.1
71.01273	1.5
71.04875	1.4
73.02836	1.6
81.03352	2.3
83.01273	1.4
85.02824	10.4
93.03345	2.5
95.01276	2.8
96.95887	1.4
97.02877	1.9
97.06458	1.2
101.02262	1.0
107.01255	2.0
109.02837	6.2
110.65512	1.0
111.04473	1.0
119.04922	100.0
120.05247	3.7
121.02849	16.8
121.06486	1.5
122.03622	1.4
123.00769	2.1
123.04415	2.0
123.08054	1.4
123.98755	1.0
125.02352	4.1
125.09623	2.8
133.02840	2.1
133.06487	2.0
135.04440	4.4
137.02336	2.8
145.02849	1.4
148.05276	1.3
149.02341	2.0
149.99503	33.0
151.00221	4.5
153.09081	1.3
157.06508	4.7
159.04401	7.5
159.11736	1.1
161.02316	1.6
165.01869	1.6
171.04437	2.9
171.10210	6.0
172.05307	1.5
173.05954	4.7
181.06339	1.1
183.04449	3.3
183.06660	1.0
183.10318	1.5
185.02460	1.3
186.06833	1.2
187.09618	1.2
194.39095	1.0
197.02574	1.1
197.06003	5.0
198.06734	1.3
199.07657	2.2
201.05499	4.9
201.11270	1.4
202.09894	1.4
203.10709	6.4
209.02998	2.2
211.07567	3.6
212.08286	1.5
213.05481	2.6
214.06285	1.7
223.07721	1.4
225.05594	3.2
227.03519	1.1
229.37357	1.2
233.11763	6.1
241.05054	16.9
242.05873	2.0
245.11887	1.1
255.06613	13.6
256.07083	2.1
267.06628	2.6
269.15649	1.5
270.05154	1.0
270.12619	1.4
271.13239	4.8
279.06641	1.5
280.07428	1.1
285.04108	1.2
286.04828	14.7
287.16434	5.6
293.15347	3.3
293.17755	3.6
295.15433	1.6
295.96249	1.1
311.16428	9.5
313.14529	5.1
319.19070	2.1
325.23737	1.0
337.14401	11.5
338.14774	1.6
355.06610	16.3
355.11679	27.9
355.15570	93.8
355.24734	13.8
356.12042	2.5
356.15875	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	355.155
Annotation	4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan
Peak:m/z	Relative Intensity
52.24091	0.5
56.72754	0.5
57.03317	0.8
59.01251	0.9
69.24638	0.7
69.25038	6.0
71.01267	1.2
79.05406	2.0
83.01234	0.6
83.04918	1.8
85.02833	4.7
92.12524	0.5
93.03349	4.3
102.85840	0.5
107.04922	1.0
108.02074	1.3
109.02830	1.4
119.04922	100.0
120.05244	3.3
121.02840	1.6
123.04385	0.9
125.09628	0.9
129.01843	0.8
131.08572	0.8
134.03667	0.6
135.04401	2.0
137.02356	1.6
137.05951	0.6
147.04398	1.2
149.02362	1.3
149.06009	0.7
150.03165	4.8
151.03903	2.5
152.04691	0.9
157.06566	0.8
159.04448	2.7
160.05203	2.4
161.02426	0.6
161.06013	2.8
162.03185	1.1
162.06770	1.1
163.03946	5.2
164.04657	1.1
165.05472	4.7
167.07025	0.6
169.06557	0.7
173.06006	1.1
174.03070	0.8
174.06862	1.2
175.03941	5.8
175.07555	3.6
176.04675	1.0
177.05505	3.3
178.70232	0.5
182.02129	0.7
185.06067	1.8
187.07661	1.4
189.05499	0.7
189.09140	0.8
190.06314	2.4
191.01930	0.9
191.07056	2.0
192.07907	1.9
195.06599	2.0
201.05528	0.7
201.11353	0.6
202.06293	1.5
202.57454	0.6
203.07092	25.4
204.07715	2.0
205.08682	4.3
206.08957	1.0
209.03029	1.7
215.07114	6.8
215.12860	0.9
216.07828	3.2
217.08656	8.7
218.09247	0.6
219.06601	1.0
220.07375	5.8
221.08150	8.0
222.08472	0.9
231.10318	0.6
233.08208	6.1
234.08855	3.2
235.09731	59.3
236.10100	4.2
239.07130	0.8
249.11163	2.7
252.50258	0.6
253.08804	0.7
261.11295	0.6
270.09067	0.6
281.08273	3.1
293.11948	0.7
295.15930	1.3
302.42899	0.6
322.12143	1.2
323.12924	0.9
340.13147	5.5
355.08362	0.9
355.11838	2.2
355.15698	6.0
355.24869	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	355.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77920	0.6
51.13388	0.6
51.24787	0.6
54.20281	0.7
57.03312	0.8
59.01250	2.6
65.03830	1.4
70.35320	2.7
71.01292	0.7
73.02803	1.2
83.04904	1.2
85.02822	2.6
85.71680	0.6
91.05408	2.2
93.03326	4.9
93.03822	0.7
94.45438	0.7
97.02836	0.7
98.20506	0.7
107.33649	0.5
108.02063	1.3
109.02834	7.6
111.00758	0.8
114.54968	0.7
115.91235	0.6
119.04915	100.0
120.05244	4.4
121.02825	6.7
121.06473	0.8
125.09594	1.4
132.98135	0.9
133.02878	0.8
134.03647	0.9
135.04410	17.9
137.02330	1.9
139.07544	1.0
147.04414	1.8
149.02351	1.8
150.03120	2.3
150.06783	2.2
157.06531	1.2
159.04413	4.0
160.05212	1.2
160.55649	0.6
161.02330	1.6
161.05975	1.9
162.03067	0.9
162.06778	0.7
163.03903	4.5
165.05403	0.8
167.07103	1.0
171.10242	0.8
173.06003	2.1
174.06763	2.6
175.03935	14.3
175.07487	3.5
176.04515	1.5
177.05457	8.3
185.06041	1.9
187.07574	1.6
188.04695	0.8
189.05432	1.3
189.09161	0.9
190.06314	2.1
191.01967	1.2
191.07109	1.9
192.07858	2.7
193.06224	0.9
195.06538	1.6
201.09306	1.1
201.11253	1.1
202.06329	2.7
203.07088	15.3
204.07672	2.1
205.05046	1.1
205.08615	4.0
209.03020	1.1
215.07063	5.9
216.07828	1.4
217.08659	13.5
217.10579	1.3
218.09344	3.8
219.10159	2.1
220.07382	5.0
221.08170	5.9
230.09541	1.0
233.08235	6.0
233.11804	2.7
234.08978	2.0
235.09720	67.2
236.10071	5.0
239.07002	1.8
241.05060	1.1
245.11726	1.9
247.09630	0.6
247.88034	0.7
249.11290	2.3
249.96263	0.8
253.08685	1.2
253.16290	2.4
255.06648	1.3
257.10800	0.9
260.15244	1.1
265.08517	1.0
267.06851	0.9
281.08173	6.1
282.09015	1.1
283.06073	19.2
283.08817	2.5
284.06546	1.4
285.07324	0.7
305.11649	0.9
322.12112	1.2
323.12860	1.2
325.23895	1.1
337.10699	0.8
337.14462	1.2
340.13159	7.2
355.11847	22.5
355.15643	6.7
355.19666	0.9
355.24734	5.1
356.12204	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	355.1551
Annotation	4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan
Peak:m/z	Relative Intensity
57.03318	1.8
59.01253	1.1
70.70182	3.0
73.02814	1.3
85.02840	1.8
86.54761	1.1
87.37257	1.1
88.97540	1.1
91.05403	3.8
93.03337	23.7
98.81049	1.2
109.02834	6.1
109.06471	1.6
111.49959	1.3
119.04919	100.0
120.05299	2.9
121.02842	26.8
124.01553	3.3
125.09615	1.6
135.04420	22.5
137.02359	1.4
143.35130	1.2
146.82091	1.2
147.04388	3.6
149.02396	1.6
149.05995	2.2
157.06494	1.6
159.04431	5.4
161.02371	6.9
163.03862	2.4
165.69252	1.3
173.06021	3.4
174.06807	5.2
175.03912	1.8
175.07568	5.1
177.05478	4.1
183.01120	3.9
185.06036	7.1
186.06458	1.6
187.07515	1.9
189.09109	1.5
190.06329	2.1
191.06985	2.0
193.06117	1.3
193.08640	13.9
199.07681	1.7
201.09160	4.2
202.06226	6.1
203.07068	36.0
204.07574	2.2
205.08597	3.8
215.07068	8.9
216.07788	1.8
217.08652	43.4
218.09311	6.9
219.10162	4.8
229.08655	2.2
229.14555	1.7
233.08174	4.6
233.11771	3.3
244.40401	1.2
246.08914	3.5
261.11279	5.8
279.06598	2.6
305.11957	5.4
322.12057	9.5
323.12796	4.2
337.11206	1.1
337.14441	29.0
338.14920	3.4
340.12955	2.6
355.11438	1.7
355.15469	22.7
355.19556	7.9
355.24710	3.1
365.22150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51569	0.3
51.51705	0.3
52.29296	0.3
52.59222	0.3
53.40582	0.3
55.78901	0.3
63.07716	0.3
66.45644	0.4
69.26583	1.0
69.26999	3.0
85.02831	1.4
93.03329	5.3
98.19825	0.7
98.20483	0.9
107.04887	0.7
108.02090	0.6
109.02836	0.5
119.04918	100.0
120.05264	3.7
121.02856	2.8
122.03630	8.1
123.04436	1.3
125.02366	1.8
135.04431	4.1
136.01578	2.1
137.02321	1.4
138.03142	0.9
145.02820	0.6
146.03694	0.4
147.04419	1.5
149.02351	5.5
150.03134	21.9
151.03929	16.3
152.04288	0.7
153.05452	0.8
159.04419	1.2
161.05960	0.5
163.03926	23.9
164.04707	9.0
165.05487	45.0
166.05817	1.5
166.12770	0.3
173.06013	1.6
174.06841	0.4
176.04723	0.6
177.05443	1.0
178.06310	0.4
179.07039	4.3
182.02127	1.5
184.58525	0.4
187.07607	1.2
188.08350	1.3
189.05515	1.5
189.09216	0.5
191.07108	1.1
193.06046	0.4
199.07422	0.4
203.07068	1.1
204.07877	0.8
212.04701	0.4
215.07083	2.0
217.08679	1.4
219.10234	2.8
220.07419	0.7
221.08212	0.9
231.06633	0.4
233.08176	0.4
235.09729	35.9
236.10062	2.4
249.11275	1.1
253.05003	0.7
253.08754	1.3
255.06654	1.0
267.06686	0.4
269.08182	1.5
270.06229	0.5
270.08902	2.6
279.06689	1.3
285.07739	1.4
285.11313	1.6
297.07669	1.0
322.12146	0.6
323.13037	0.7
325.10474	0.5
327.12454	0.5
337.14471	0.5
340.13120	3.0
355.11804	2.4
355.15503	28.0
355.24683	1.8
356.15833	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65656	0.3
65.03834	2.3
70.92810	0.7
70.93150	0.6
91.05409	14.1
93.03345	2.6
109.02832	16.5
110.03204	0.5
121.02843	9.6
122.03621	0.7
135.04413	100.0
136.04744	3.9
137.05945	1.1
138.62843	0.4
147.04408	2.1
148.05199	10.2
149.05940	0.7
163.07561	13.7
164.07851	1.1
168.13301	0.4
200.08463	0.3
201.09106	0.8
205.08740	0.4
207.10245	1.0
215.10724	1.3
218.09421	0.6
219.10248	0.5
233.11787	16.5
234.12122	1.2
243.35309	0.3
309.75989	0.3
355.11401	2.3
355.15527	11.5
355.19815	0.7
356.15872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45108	0.3
57.53811	0.3
58.78662	0.4
59.01248	0.5
65.82710	0.3
70.02323	1.9
85.02818	0.6
93.03326	6.9
98.19937	0.5
104.34245	0.4
107.04897	0.7
119.04914	100.0
120.05251	3.8
121.02831	3.6
122.03631	6.7
123.04386	0.8
125.02359	1.8
125.09533	0.6
131.65959	0.3
135.04408	2.1
137.02303	0.9
138.03119	0.5
147.04439	0.9
149.02354	5.1
150.03125	20.9
151.03917	16.6
152.04239	0.4
153.05478	0.9
154.02664	0.7
155.04941	0.4
156.69707	0.3
159.04445	1.4
161.53061	0.4
163.01891	0.5
163.02502	0.5
163.03918	24.3
164.04707	11.5
165.05482	51.6
166.05763	2.1
175.03896	0.5
176.04704	0.8
177.05461	1.4
178.06285	0.4
179.07066	5.4
182.02145	1.8
190.85629	0.4
191.07040	1.2
199.03874	0.4
202.06335	0.8
203.07047	0.7
215.07095	1.7
216.07739	0.4
217.08624	2.0
220.07401	1.3
221.08144	1.3
222.08942	0.4
227.03528	0.7
233.08113	0.9
235.09711	38.9
236.10098	2.9
241.05028	0.8
242.05840	0.4
243.02963	0.5
249.11302	1.1
253.08694	0.9
269.04724	0.5
269.08130	0.6
270.05441	3.0
270.08923	2.9
271.02463	9.7
272.02844	0.6
285.04471	0.7
285.08002	2.7
285.10822	2.8
286.04816	8.4
286.07831	0.4
287.05331	0.7
322.12033	0.6
337.14435	0.6
340.13010	4.2
355.11792	10.4
355.15594	6.5
355.24786	0.5
356.12149	0.7
356.16003	0.5
357.49554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20408	0.3
65.03837	3.3
67.01763	1.0
68.49460	0.4
69.15544	0.4
70.04078	2.3
73.94898	0.3
73.95315	0.4
91.05405	16.3
93.03331	3.8
98.20526	0.7
99.51913	0.3
108.02071	0.7
109.02837	42.7
110.03188	1.1
121.02842	29.9
122.03194	1.4
135.04413	100.0
136.01578	0.7
136.04739	3.6
139.17238	0.4
147.04430	6.8
148.05037	0.5
149.02351	0.7
149.05902	0.5
150.03123	0.4
163.03941	3.4
175.03923	4.7
176.08327	0.8
179.07056	0.7
179.09291	0.4
185.05940	0.5
189.09131	1.4
190.06308	0.4
191.07068	3.3
192.07794	1.9
201.09140	2.0
202.09967	0.9
203.07088	2.0
203.10733	1.1
204.07848	3.8
205.08644	2.8
206.09422	3.1
207.10179	0.6
213.09180	1.3
217.08652	2.9
218.09421	24.8
219.10179	14.1
220.10616	0.9
229.08659	0.9
230.09462	4.6
231.10059	0.7
232.11026	0.5
233.11786	16.5
234.12134	1.4
245.11804	14.0
246.12140	1.2
262.08600	0.5
267.20825	0.4
323.12961	1.7
340.13107	1.0
355.15430	7.4
356.15891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18565	0.7
64.24988	0.7
65.03837	3.0
67.01744	1.8
70.03405	1.4
70.03823	3.5
74.64074	0.7
85.02856	1.0
91.05409	15.8
91.05958	1.2
93.03355	4.1
108.02075	0.8
109.02837	35.9
110.03175	1.5
119.04905	1.3
121.02843	28.6
122.03153	0.9
125.02376	0.9
133.02861	0.9
135.04417	100.0
136.04774	4.2
137.02339	1.1
139.03920	1.0
147.04413	7.0
149.02371	1.3
150.03162	0.8
151.03889	2.3
163.03911	2.3
167.03340	1.1
174.06519	0.8
175.03934	7.0
176.08385	1.1
177.09164	0.8
189.09117	2.1
190.09795	1.0
191.07146	3.7
192.07826	2.7
201.09090	2.0
203.07079	3.0
203.10812	1.8
204.07809	3.2
205.08583	5.7
206.09416	1.8
207.10161	1.0
212.07823	1.0
213.09106	1.4
217.08624	3.9
218.09430	27.9
219.10162	14.8
220.10536	0.9
230.09338	3.7
233.11801	18.0
245.11775	10.2
249.37349	0.8
279.03082	0.8
284.06351	0.9
323.12787	1.0
336.10748	0.9
337.10568	1.0
340.13168	2.5
355.11325	22.6
355.15570	11.8
355.18997	0.6
355.19693	0.9
355.24716	1.2
356.11395	1.3
356.15631	1.0
374.91483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.03329	1.0
59.01253	10.8
65.94924	0.9
69.56790	6.9
71.01254	7.3
73.02826	1.3
73.65240	1.0
77.49255	0.8
85.02827	13.4
86.03172	1.8
87.00731	1.5
87.03220	2.0
89.02319	3.0
93.03346	4.9
94.03673	1.0
101.02316	1.9
109.02883	0.9
111.04401	1.2
113.02332	1.7
119.03407	1.0
121.02879	1.2
123.04372	1.3
125.02746	1.0
125.35445	0.8
127.03925	1.5
128.04263	1.0
132.02066	15.5
132.02979	1.7
133.02705	0.8
134.03635	23.9
137.02298	2.5
139.03860	1.2
147.04391	0.9
149.05977	6.0
151.03856	1.5
157.62943	0.7
160.01569	64.4
161.01973	2.7
162.02718	1.3
165.97346	0.7
173.04529	1.6
175.03928	100.0
176.04282	4.7
178.02641	6.4
179.03410	0.8
191.01926	1.2
191.05548	38.8
191.07045	2.3
192.05887	31.9
193.04762	16.7
193.06021	43.8
194.06537	1.1
202.02583	1.2
209.02982	1.8
217.05054	4.8
235.06003	2.7
295.08170	1.8
355.10315	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	355.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
59.01246	1.8
60.31161	0.8
62.97114	0.8
65.03829	1.6
67.01735	0.9
79.05409	2.9
85.02829	7.0
91.05415	10.6
93.03334	5.7
105.03346	6.1
107.04890	5.3
108.02072	0.8
109.02848	3.7
117.03388	2.0
119.04922	100.0
119.83624	0.7
120.05263	3.0
121.02860	3.8
123.00768	0.9
123.04417	43.9
124.01643	1.1
133.02858	7.1
134.03610	2.8
135.04422	42.5
136.04713	2.1
137.02318	1.8
145.21210	0.9
147.04430	2.2
149.02417	3.0
149.05994	2.5
150.03108	3.0
151.03903	1.0
157.06503	4.5
159.04486	2.9
161.02359	80.0
162.02798	4.8
163.03856	7.1
165.05434	1.6
167.03461	1.4
173.05975	1.5
174.06802	2.7
175.02768	0.6
175.03938	31.3
175.07568	34.2
176.04553	3.3
176.07954	2.1
177.05496	8.5
189.05400	1.1
189.09175	1.5
191.07088	1.3
192.07828	1.9
193.08638	22.5
194.08800	1.1
195.06587	1.7
202.06354	3.5
203.07089	16.6
204.07579	1.1
205.04991	1.3
205.08690	3.1
207.06541	1.1
209.03004	2.8
215.07101	3.5
216.07761	1.5
217.08656	17.9
217.10754	1.3
218.09128	1.5
219.06517	6.0
220.07407	5.8
221.08141	16.3
222.08495	1.0
223.07658	1.0
233.08176	6.5
234.08865	1.9
235.09721	69.8
236.10065	2.8
237.07658	3.3
239.07123	3.9
240.07881	1.7
241.05049	2.0
244.24286	1.0
247.09497	1.2
253.08768	1.8
254.09265	0.9
255.06714	0.9
265.08682	1.1
266.05612	1.1
267.06674	4.7
268.07327	2.8
269.04532	3.6
270.05301	3.0
281.08212	17.4
282.08902	3.8
285.07697	2.4
285.11285	1.9
312.13461	1.0
319.09799	3.2
323.12820	3.1
337.10904	7.5
337.14438	2.0
339.12253	1.9
340.13181	15.1
341.13321	1.8
355.11658	14.2
355.15582	43.7
355.24786	4.8
356.12054	1.1
356.15851	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	355.0883
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
51.22166	3.2
55.01767	5.7
57.03341	7.6
58.00452	5.0
59.01255	89.4
69.03322	3.5
71.01258	100.0
71.57065	4.8
72.99188	62.4
73.02805	16.3
75.00745	13.6
83.01273	9.2
85.02821	39.7
87.00748	48.7
89.02328	61.3
95.01264	13.2
99.00761	9.9
100.36991	3.2
100.98682	7.2
101.02323	52.5
103.00243	12.8
105.01811	13.1
105.02475	3.2
113.02334	57.8
115.00247	14.8
119.03406	12.6
129.01836	7.1
131.03381	8.9
135.04576	3.6
140.16997	3.6
143.03398	6.8
147.02948	4.6
153.34570	3.1
161.04405	3.5
175.02397	69.4
179.05542	10.5
203.20445	3.1
232.12523	2.9
260.39136	3.3
265.05573	8.0
285.34412	3.7
355.08792	68.1
355.12802	8.2
356.09021	7.1
366.27582	3.4
378.91727	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	355.1036
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
54.30725	0.5
59.01255	10.1
65.16776	0.4
65.62269	0.6
67.58677	0.4
69.53159	3.3
70.84393	0.4
71.01262	5.1
73.16022	0.5
78.36661	0.5
85.02822	1.6
89.02312	2.5
101.02338	1.8
113.02364	1.5
119.03372	1.0
132.02068	14.9
134.03635	9.7
147.04428	0.9
148.05228	0.7
149.05992	1.8
149.68700	0.4
160.01575	71.8
161.01929	3.3
174.03128	0.8
175.03929	100.0
176.04283	5.8
183.88599	0.6
191.07094	1.9
193.04973	15.6
194.05298	0.7
202.02657	0.9
203.84326	0.5
207.06528	0.7
213.58441	0.4
217.05051	5.4
218.05223	0.5
235.06126	2.8
295.08154	1.8
342.66769	0.5
343.29025	0.5
355.10233	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86951	1.0
55.01757	2.5
57.03326	10.4
59.01250	5.8
60.84995	0.9
70.13087	2.3
70.13486	1.7
71.01241	3.1
72.99165	2.0
78.72044	1.0
83.01263	2.0
84.02073	1.3
85.02822	100.0
86.03173	2.9
87.00738	1.8
89.02339	1.1
91.98223	1.0
98.20508	1.3
100.22321	0.9
105.02692	0.9
119.04918	2.7
123.89898	1.1
129.01834	8.8
145.33406	1.1
147.02896	12.2
163.03848	5.3
191.01900	31.3
192.02148	0.9
209.02971	49.7
210.03203	1.6
265.96536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	16.1
59.01235	11.4
69.86086	5.6
69.86488	10.3
71.01233	6.6
73.57954	2.9
78.40383	2.6
85.02821	100.0
92.29320	2.6
119.04976	5.7
121.87068	2.7
129.01828	8.3
147.02876	8.3
163.04018	2.9
191.01942	25.2
195.54741	2.8
209.02956	54.0
283.97144	2.7
376.47998	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	15.2
59.01250	7.4
69.76186	10.6
71.01253	8.7
72.99184	1.7
84.02041	2.7
85.02824	100.0
85.66620	1.7
86.03139	2.6
89.02309	2.3
98.20437	3.2
99.11017	1.5
103.00243	2.9
113.25706	1.5
119.04906	3.3
129.01823	7.3
133.01303	3.9
135.04408	2.6
147.02887	9.9
154.74683	1.7
163.03856	3.3
167.30328	1.8
191.01915	25.0
192.05933	1.6
193.05959	2.4
209.02972	65.9
211.30070	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19008	1.7
54.78434	1.9
57.03334	5.0
59.01253	8.4
67.16473	1.8
69.62818	12.5
71.01239	5.4
77.79178	1.8
85.02825	47.2
86.03168	6.0
87.00764	2.9
87.03250	4.2
93.03310	10.9
94.03666	2.5
102.52352	1.8
109.02892	3.4
110.86968	1.7
111.04360	2.3
127.03937	4.4
129.01857	2.3
134.03644	4.8
135.04440	4.3
136.04813	2.0
137.02380	2.2
144.68237	2.1
173.04454	5.1
175.04933	2.2
179.03435	2.9
191.01942	7.2
191.05548	92.6
192.04596	1.2
192.05898	55.2
193.06026	100.0
194.06418	3.9
209.02994	17.1
240.72087	2.0
355.09698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.6
57.03330	10.7
59.01245	5.9
70.71634	0.5
71.01251	2.7
71.12627	1.3
72.99188	1.1
75.00766	1.2
83.01266	1.4
84.02048	2.2
85.02827	100.0
86.03160	1.6
87.00733	0.9
87.76001	0.6
89.02277	0.6
103.00237	1.6
107.29099	0.7
107.94747	0.5
118.29022	0.6
119.04921	3.5
129.01845	7.3
133.01350	1.2
140.97063	0.6
145.02898	0.8
147.02898	10.9
163.03925	4.6
173.00862	0.6
191.01904	26.6
191.05574	1.9
192.02252	0.7
192.05899	1.4
193.06013	1.9
209.02982	28.3
210.03262	1.1
279.97394	0.6
355.06473	0.9
372.37390	0.6
376.61237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1395
Annotation	Quercetol A
Peak:m/z	Relative Intensity
58.19678	1.0
59.01240	3.4
59.90278	1.0
65.51988	1.0
65.73328	1.0
71.01250	2.1
71.38637	2.0
79.25550	1.0
85.02819	6.1
87.00742	1.8
88.21758	1.0
93.03346	6.8
102.73614	1.1
108.02038	2.4
109.02821	3.5
111.04361	1.0
111.27807	1.0
117.03344	1.9
119.04916	100.0
120.05233	3.1
121.02814	5.7
122.03624	3.5
123.42929	1.1
127.03931	1.5
133.02832	2.3
134.03644	2.2
135.04399	11.4
137.02351	1.5
147.04411	1.8
149.02322	8.4
150.03160	2.3
151.03897	1.4
159.04520	1.7
161.02336	4.2
161.06047	1.1
162.03127	1.7
163.03894	5.4
173.04488	5.4
173.06004	3.1
175.03906	7.1
175.07529	1.6
179.03491	6.4
187.07547	1.5
188.04701	1.9
189.05495	3.7
190.06219	3.3
191.05550	64.9
191.07053	3.9
192.05856	2.7
193.05113	1.4
195.08127	1.2
197.11826	1.6
201.05516	15.4
203.07097	5.9
213.05408	1.4
215.07016	2.6
215.12737	1.2
217.08698	2.1
218.05765	10.5
219.06595	28.3
220.06955	1.8
229.14352	2.5
231.06606	19.2
232.07246	8.1
233.08150	76.6
234.08366	5.4
239.07091	3.3
240.07875	1.6
245.08165	1.7
247.09737	2.9
255.06636	3.3
259.09735	1.2
267.06555	3.9
268.07257	2.1
295.06030	4.0
321.11230	4.5
323.09406	2.6
338.07736	1.9
338.11594	26.6
339.11865	3.0
353.10172	12.9
353.13977	27.3
353.23291	5.5
354.10333	1.3
354.14426	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	353.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39878	0.4
52.94121	0.4
56.84778	0.4
59.01255	0.9
60.36533	0.4
67.19331	0.4
67.90932	0.4
71.07677	1.2
71.28896	0.4
77.98260	0.4
79.95606	13.0
80.96384	1.1
85.02812	1.7
93.03308	0.7
94.97963	1.3
95.95101	2.3
96.95891	86.2
122.97465	4.4
135.04391	1.5
160.68040	0.5
173.04497	0.9
179.03424	1.1
183.01169	0.7
183.17480	0.4
191.05545	16.9
197.02679	2.5
225.68309	0.4
252.74596	0.4
255.19717	0.6
338.57336	0.4
348.36664	0.4
353.20010	100.0
354.20340	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	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
60.68045	0.4
71.01678	0.3
71.06817	1.2
74.86943	0.4
82.80954	0.3
85.02834	1.0
93.03350	0.5
96.95910	1.1
101.32861	0.4
135.04451	1.1
146.92705	0.5
147.07971	0.4
150.85619	0.4
161.02446	0.5
163.11200	100.0
164.11536	5.1
173.04427	0.7
177.09132	70.2
178.09448	4.1
179.03416	0.6
183.50209	0.3
191.05539	14.0
192.05952	0.5
197.02701	1.3
222.09013	0.5
353.21222	98.8
354.17487	0.8
354.21600	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	353.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92171	0.8
57.48195	0.7
59.01238	1.7
71.58427	0.9
81.78892	1.0
85.02821	5.2
87.00758	1.2
87.93627	0.8
93.03311	3.3
96.28261	1.0
107.04914	0.9
109.02849	1.2
109.61777	0.9
119.04942	1.0
121.02818	1.1
127.03922	1.1
133.02914	1.0
134.03636	81.0
135.04430	73.5
136.04742	2.6
143.04942	1.5
149.05988	49.1
150.06320	2.4
157.06465	3.4
159.04376	1.2
159.08052	11.9
161.02345	2.7
173.04427	1.8
175.07607	1.1
179.03392	3.1
183.01180	1.3
185.06052	1.0
187.03824	1.1
191.05545	43.0
192.05791	1.0
197.17494	0.8
201.05467	2.7
203.07069	16.2
215.78650	0.7
216.07802	1.2
217.08652	1.3
221.08150	45.0
221.99179	0.8
222.08473	3.0
239.68964	0.7
248.06815	1.6
269.04593	1.3
281.45917	0.9
283.06223	1.4
293.21146	2.4
295.06168	7.9
327.32819	1.0
338.11572	2.3
353.13907	100.0
354.09964	1.3
354.14212	13.3
354.18451	1.1
368.82211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41553	0.4
59.01244	0.9
59.21960	0.3
62.21814	0.3
65.68811	0.3
70.88505	1.0
85.02839	1.8
89.02291	0.3
93.03336	5.0
108.77316	0.3
109.99992	1.0
111.04363	0.4
115.05409	0.6
119.04922	100.0
120.05257	3.6
123.00767	1.7
129.06958	0.6
129.20610	0.3
133.02866	0.6
134.03554	0.4
135.04422	1.5
136.01567	0.9
138.60249	0.4
141.06985	0.4
149.02353	0.9
150.06775	0.9
157.39522	0.3
162.06735	0.7
163.03926	1.7
171.04500	0.5
173.04494	1.0
173.05942	0.6
175.03920	0.8
178.06300	3.1
179.03433	1.3
183.01251	0.6
185.05922	0.5
189.05472	1.0
190.06247	1.7
191.05548	19.5
191.07091	2.1
192.05869	0.8
193.06389	0.3
193.08659	1.2
195.08072	0.6
203.07072	5.1
205.04959	0.5
206.05829	3.1
213.05458	0.6
217.08669	1.0
218.05785	7.4
219.06552	2.0
221.08136	11.6
223.88954	0.3
231.06607	1.7
232.07376	0.6
233.08141	7.7
234.08487	0.4
242.05888	0.4
251.36722	0.4
255.06741	0.6
267.06604	4.2
271.22812	1.0
279.06668	1.2
295.09793	0.5
310.12030	0.6
321.11362	0.8
338.11636	3.8
353.09573	0.7
353.13995	7.3
353.18036	1.5
354.10867	0.6
354.14676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26574	1.1
59.01242	3.6
71.01245	1.9
71.57906	1.9
85.02824	6.6
87.00749	1.4
93.03337	4.0
109.02814	1.2
110.33356	1.0
110.64086	1.0
121.02806	1.2
132.02094	5.1
135.04442	7.3
148.05296	1.8
160.01578	15.3
160.50948	1.0
161.02179	1.5
163.07571	2.0
173.04506	5.5
179.03459	5.6
191.05547	64.0
192.05934	2.5
200.08394	2.5
208.08881	1.8
224.08360	16.1
225.08737	1.5
227.07104	6.2
228.07814	5.2
235.07690	3.0
236.08339	2.4
237.09099	1.1
237.71394	1.0
239.07056	1.3
239.10727	11.5
240.07872	1.4
251.07111	2.3
251.10661	2.6
252.07886	19.3
253.08243	2.3
263.07083	3.6
264.07935	14.2
265.08621	5.4
265.87979	1.0
267.07019	1.9
267.10263	17.5
268.10587	1.3
269.68979	0.9
269.83694	1.0
271.10272	1.1
277.08615	2.8
278.09436	1.7
279.06604	5.5
279.09372	1.0
280.07404	16.5
281.08005	1.2
291.06671	2.9
292.07419	14.5
293.08240	12.4
294.08786	2.1
295.06628	1.6
295.09698	8.2
305.08133	4.6
306.08926	8.8
307.09738	21.3
308.06891	20.3
308.10455	11.5
309.07269	1.6
309.11050	2.5
319.27917	1.4
321.11414	5.9
322.12103	13.0
323.09262	100.0
323.12750	8.2
324.09656	9.3
335.09250	4.5
337.10791	5.0
338.11588	74.6
339.11884	7.4
353.10202	5.9
353.13977	49.9
353.23398	3.9
354.14267	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	353.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.3
59.32483	1.5
68.02979	1.8
71.01289	1.5
71.59392	2.8
80.41322	1.3
85.02824	8.6
87.00758	2.3
93.03351	9.1
99.04399	1.8
109.02843	6.7
110.15266	1.5
119.04895	11.8
121.02878	2.1
127.03896	2.4
135.04388	11.1
149.05983	50.9
150.06326	1.8
155.41048	1.4
161.02382	2.7
173.04460	8.4
179.03441	8.2
184.93703	1.7
185.06046	2.4
191.05547	100.0
192.05869	3.4
210.39517	1.7
243.06490	1.6
323.09235	3.0
335.47501	1.8
338.11514	4.2
353.10056	6.0
353.14014	21.2
353.23245	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	353.1394
Annotation	Bolucarpan C
Peak:m/z	Relative Intensity
55.95183	1.2
59.01256	1.7
65.03838	4.5
67.01775	3.2
69.70268	8.1
70.60655	1.4
85.02839	4.4
87.00741	1.6
89.03832	4.1
91.05418	1.7
93.03345	3.2
98.20496	2.4
108.02068	6.5
109.02840	100.0
110.03178	2.5
121.02850	10.9
123.04429	2.8
127.03945	2.0
132.02066	3.3
133.02837	18.6
134.03560	1.4
135.04422	12.3
144.05568	1.4
145.02856	2.5
146.03604	1.8
147.04466	2.2
149.02377	1.8
150.03160	1.5
156.42574	1.2
157.06514	2.0
157.10127	14.0
158.03619	2.7
160.01591	4.8
161.02264	1.5
172.05244	1.5
173.02348	6.3
173.05949	2.2
174.03090	2.5
175.03976	1.3
175.07576	3.1
176.08357	1.3
177.09140	3.3
179.03416	1.5
179.40913	1.3
182.02133	1.8
183.01163	3.7
185.02341	11.4
185.06035	5.2
186.03088	1.8
187.07620	4.6
188.08449	2.2
190.06339	1.7
191.05544	54.8
191.06877	2.6
192.05801	2.1
197.05975	2.4
199.03883	3.0
201.05582	1.7
201.09229	1.5
203.07071	12.6
204.07793	4.1
205.08643	23.1
206.08955	1.8
209.06020	2.0
211.07597	4.5
213.05470	2.2
215.07135	3.1
216.07921	8.0
217.08411	1.9
219.10210	8.9
221.05978	2.0
223.07652	6.3
225.05536	2.5
228.07959	6.8
229.08667	60.8
230.09093	4.8
237.05486	2.4
239.07114	2.1
243.10245	56.1
244.10629	5.8
249.05638	2.1
251.07117	2.6
255.06731	1.4
265.05093	5.6
267.03949	1.4
267.06531	6.3
269.04626	2.6
277.05042	6.5
279.06653	5.7
280.07315	2.6
283.06158	7.1
295.06152	43.5
295.09521	2.5
296.06519	3.8
319.09717	1.6
320.10577	3.4
321.11249	4.9
335.12936	12.5
337.10666	6.4
338.11603	77.9
339.11893	9.2
353.13971	55.3
353.17838	4.9
354.14319	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44265	0.5
58.77799	0.4
62.15626	0.4
65.00201	0.6
68.43133	0.5
76.26844	0.4
80.03860	0.4
85.02823	1.0
89.03843	3.3
91.01788	0.8
91.05387	0.5
93.03323	1.6
95.04913	0.9
105.19533	0.5
106.04107	1.2
107.04877	0.7
108.02044	0.6
109.02834	0.6
117.03345	1.6
117.07008	0.6
119.04850	0.6
121.02867	1.4
122.31884	0.5
123.04418	1.5
129.06970	0.6
130.04138	7.1
132.02037	1.4
133.02849	32.7
133.06499	0.6
134.03192	1.2
135.04445	2.8
136.01570	1.2
143.04945	2.3
145.02853	1.1
145.06490	14.2
146.06783	0.8
147.08052	1.3
149.02255	0.6
157.06483	6.5
159.04381	0.7
161.02325	2.7
163.00302	0.5
163.07521	0.8
173.04543	0.5
173.05939	0.9
175.07524	2.2
177.01910	0.6
179.03445	0.8
187.04002	1.0
189.03778	0.6
189.05492	11.5
191.05544	14.9
191.07071	1.3
192.05925	0.7
201.05508	3.8
207.06570	6.7
219.06577	27.8
220.06924	1.2
237.05313	0.8
237.07620	10.2
238.08022	0.5
240.04175	0.7
267.02988	1.2
268.03738	2.3
279.10202	0.5
281.04578	2.8
282.05228	2.1
293.04456	3.2
294.05087	0.6
314.30838	0.5
317.71057	0.5
323.09244	18.5
324.09436	1.9
335.09305	4.3
353.10291	100.0
354.10599	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
59.01252	0.9
83.04899	0.5
85.02825	1.4
89.03846	3.0
91.01773	0.6
93.03355	1.2
95.04895	1.1
106.04127	0.5
107.04865	0.6
108.02064	0.6
109.02874	1.1
117.03326	1.3
117.79283	0.4
119.04921	2.1
121.02834	2.0
123.04394	1.1
129.06996	0.8
130.04123	5.7
132.02094	1.3
133.02846	29.9
134.03200	0.8
135.04420	2.0
136.01578	0.9
138.03146	0.5
143.04887	2.2
145.02855	1.0
145.06494	16.0
146.06808	0.5
147.08040	1.1
149.02351	0.6
157.06480	5.9
159.04424	0.6
161.02342	1.9
161.05933	0.5
173.04526	0.8
173.05939	1.1
174.03174	0.7
175.07504	1.6
177.01880	1.0
179.03423	1.0
185.57097	0.5
187.03905	1.9
189.03775	0.6
189.05498	11.9
190.05943	0.8
191.05525	11.5
191.06990	0.7
192.06026	0.5
199.03854	0.7
201.05501	3.6
207.06546	7.9
208.06949	0.5
219.06567	22.5
220.06921	1.4
229.14430	0.6
230.09596	0.6
233.08125	1.5
237.05315	0.7
237.07652	12.1
256.03778	0.7
257.04526	0.5
267.02884	0.8
268.03674	2.1
279.10120	0.6
281.04327	1.0
282.05371	1.8
293.04483	2.2
311.10995	0.6
321.07819	0.6
323.09235	17.8
324.09595	1.7
335.09232	3.1
338.11429	0.6
353.10284	100.0
354.06250	0.5
354.10635	9.8
354.14709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10651	2.8
59.01252	40.4
70.07426	10.7
71.01250	28.3
73.02811	22.9
80.87022	3.4
85.02823	13.5
87.00766	3.9
89.02317	32.0
93.03334	5.7
97.02818	4.1
99.00762	65.2
101.02313	5.0
113.02322	7.3
125.02333	3.6
127.03871	3.3
131.03400	8.7
135.04387	10.5
143.74289	2.8
149.04427	11.7
171.26498	3.6
173.04480	6.0
179.03409	9.2
191.05540	100.0
310.14798	3.2
353.10022	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61510	1.2
57.03349	1.5
59.01247	1.8
67.01760	3.6
70.11558	2.4
70.11951	3.1
70.65615	1.2
71.01255	3.7
85.02831	10.8
93.03333	22.3
98.20501	1.4
109.02836	2.7
109.04176	1.2
111.04414	3.6
127.03974	1.6
134.03680	3.7
135.04414	60.7
136.04715	2.1
137.02374	5.7
155.03444	4.6
161.02405	4.5
173.04475	92.9
174.04843	5.3
179.03426	65.4
180.03749	2.8
191.05545	100.0
192.05920	4.9
353.08713	12.1
354.09488	1.6
371.28268	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15786	0.2
57.87319	0.1
59.01245	0.5
60.03296	0.2
71.01240	0.2
72.77087	0.1
85.02814	0.8
87.00736	0.2
87.83775	0.1
89.02331	0.2
93.03342	0.7
95.04902	2.9
99.00758	0.3
105.03341	0.4
123.04411	10.0
124.04745	0.3
133.02850	100.0
134.03180	3.7
135.04399	1.0
149.02357	0.2
161.02383	0.3
167.44040	0.2
173.04449	0.4
175.55714	0.2
179.03380	0.4
191.05537	9.6
192.05922	0.5
237.75607	0.2
266.15549	0.2
295.06192	0.3
309.11215	0.8
335.09271	0.3
353.10300	26.5
354.10617	2.8
354.14612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26239	0.3
67.90912	0.3
70.88637	1.0
73.57836	0.4
80.90837	0.4
84.55904	0.3
89.03833	2.9
91.01795	0.7
93.03323	0.7
95.01254	0.4
105.03342	40.1
105.06976	0.3
106.03686	1.0
108.02069	0.5
109.02821	0.7
121.02858	1.0
123.04398	1.4
129.06908	0.5
132.02072	1.1
133.02849	23.3
135.00848	0.4
135.04408	0.7
136.01559	5.7
139.03876	0.4
147.04402	0.6
148.01494	0.5
149.02345	18.2
150.02568	0.8
157.06503	10.8
158.06792	0.7
161.02341	0.6
166.02617	0.7
167.03412	20.7
168.03748	0.7
173.05937	0.6
177.01845	1.9
191.05484	1.5
197.05994	0.5
199.07561	0.5
201.05507	6.9
202.05869	0.4
203.07040	0.6
211.03879	0.4
211.07654	0.5
219.06578	12.0
220.06998	0.4
224.04681	0.7
237.07631	4.4
238.06116	0.5
239.07126	2.4
241.04893	0.5
253.04994	0.6
254.05801	1.3
255.06804	0.5
265.05014	0.4
281.04614	2.0
282.05347	8.4
283.06104	21.6
284.06372	1.3
314.04385	1.2
335.09225	15.0
336.09561	1.3
353.10287	100.0
354.10834	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13362	0.9
57.41994	0.9
57.53024	0.9
59.01254	100.0
67.92188	0.9
69.51225	7.2
71.01234	3.0
73.87565	0.9
85.02824	1.0
87.00776	1.0
89.02307	1.8
93.03321	2.5
95.01254	4.2
95.04895	1.0
96.95901	3.0
97.21723	1.0
99.00773	1.3
99.06201	1.1
101.02347	1.7
109.02863	1.2
110.46790	0.8
111.04399	1.0
113.02370	1.0
123.00774	5.8
133.02869	5.1
135.04500	2.4
141.01819	1.1
151.03972	1.1
173.04507	2.3
177.01846	2.2
179.03368	1.4
191.05545	1.6
203.11084	1.2
211.31740	1.0
215.05460	1.6
226.27168	1.0
235.72766	1.2
263.13388	1.2
270.64395	1.0
276.16800	0.9
277.87711	0.9
318.05280	1.2
319.55026	0.9
351.07309	1.0
351.14355	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	351.1709
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01243	8.3
69.41631	13.2
69.42042	4.2
93.03336	2.5
95.87346	1.8
98.20501	4.5
101.52324	2.0
121.10129	14.1
123.34972	2.1
127.73684	2.6
133.02855	6.2
171.10159	20.4
191.05486	4.2
229.04750	2.1
271.68176	2.6
275.20187	24.0
276.20529	3.4
293.21204	16.6
351.17056	100.0
352.17343	9.1
353.07529	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53788	0.2
55.57309	0.2
57.03316	0.2
59.01239	1.4
67.01752	0.3
68.30162	0.2
69.03342	0.2
70.28741	0.4
70.29132	0.5
71.01248	1.1
73.02809	0.5
79.69758	0.2
81.03329	0.3
83.04913	0.3
85.02822	8.9
87.00751	1.8
93.03342	3.3
94.03664	0.2
98.19931	0.2
99.04427	0.4
101.50353	0.2
107.04958	0.2
109.02833	0.7
111.04429	1.2
125.02345	0.3
127.03898	2.3
133.02861	0.9
134.03598	0.2
135.04416	3.2
137.02322	0.2
155.03409	0.3
161.02325	2.0
171.02916	0.8
173.04486	2.7
179.03412	2.0
191.05537	100.0
192.05873	3.1
197.62259	0.2
273.30411	0.2
353.08661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.1
57.34606	1.0
59.01238	3.6
60.99206	1.0
67.01759	8.6
67.33334	0.9
68.29733	0.8
69.03313	2.7
69.76237	4.6
69.76646	1.9
71.01247	4.0
81.03342	1.5
83.04903	2.8
85.02338	1.6
85.02825	18.3
87.00750	3.4
92.57968	1.0
93.03333	45.6
94.03687	1.7
99.04404	1.6
107.04881	2.4
109.02832	2.8
111.04412	9.3
113.02297	1.1
125.36073	0.9
127.03881	4.0
133.02840	2.9
134.03644	8.4
135.04413	100.0
136.04735	4.3
137.02348	5.1
155.03389	4.2
161.02335	4.5
173.04472	73.3
174.04799	3.2
179.03426	48.8
180.03702	1.7
191.05536	56.8
192.05923	2.8
269.88788	1.0
278.78845	1.0
295.49857	1.1
343.77487	1.0
353.08801	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01251	1.4
67.01746	0.3
69.26974	2.0
71.01253	0.6
73.02811	0.4
76.62596	0.2
81.03336	0.4
83.04897	0.3
85.02819	10.1
87.00748	2.0
88.41577	0.2
91.24200	0.2
93.03330	3.6
99.04406	0.3
101.59305	0.2
109.02834	0.9
111.04391	1.1
121.25092	0.2
125.02293	0.2
127.03903	2.0
133.02852	0.9
135.04413	0.6
161.02338	2.5
171.02873	0.7
173.04451	1.5
178.46480	0.2
179.03421	0.8
191.05537	100.0
192.05899	3.9
236.75455	0.2
245.30870	0.2
353.08795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.2
58.24747	1.3
59.01253	100.0
59.62244	1.3
66.46732	1.3
71.01253	8.4
71.57751	2.6
73.02833	1.5
83.01247	2.4
85.02825	13.0
87.45810	1.5
87.58521	1.1
88.56243	1.4
89.02310	3.7
93.03326	4.7
96.95878	4.5
101.02299	5.1
111.00774	2.0
113.02334	2.9
117.03315	2.6
119.03435	1.9
119.04891	5.7
123.04376	1.8
127.84055	1.5
133.02847	13.0
135.04413	3.6
137.02344	1.9
145.02867	11.1
161.04428	3.0
163.03922	2.2
173.04457	3.0
177.01880	3.7
191.05544	4.5
203.06998	1.6
205.03445	1.8
215.05484	1.7
351.20212	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80946	1.1
55.82660	0.9
59.01253	100.0
60.01577	1.1
62.71214	1.0
66.43922	0.9
71.01266	5.2
71.58684	1.4
73.02816	1.9
77.58012	0.9
77.91991	0.9
85.02831	2.4
87.00735	1.3
89.02321	1.4
89.76828	0.9
90.58798	1.0
91.75566	1.0
93.03329	2.0
95.01270	7.4
96.78892	0.9
96.95893	3.6
99.00697	1.5
101.02321	2.6
109.02796	1.1
110.49973	1.0
113.02351	1.7
121.26176	1.0
123.00787	8.9
128.24307	1.0
133.02834	4.0
135.04454	2.2
141.01828	1.9
146.25990	0.9
149.40508	1.1
161.02403	1.2
161.04297	1.0
173.04547	2.4
177.01814	1.4
191.05504	3.6
203.11040	1.2
215.05530	1.2
301.00610	1.0
351.14771	2.4
351.20993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34531	1.0
59.01251	100.0
60.65211	1.3
63.09295	1.4
69.03324	1.4
69.58528	8.8
71.01253	3.0
73.02802	1.8
85.02824	1.9
86.39037	1.3
93.03327	3.0
95.01225	1.2
96.95881	4.6
97.02843	1.9
98.19819	2.8
99.00769	3.1
101.02335	1.7
109.02882	1.3
111.00732	2.3
113.02344	1.7
119.23154	1.2
125.65604	1.2
133.02850	5.8
139.00201	1.4
141.01825	2.0
163.03940	1.5
173.04425	3.9
186.25998	1.2
190.26999	1.3
191.05507	2.9
201.04013	7.1
201.46581	1.2
215.05498	1.5
248.05582	1.2
323.04053	1.4
326.46320	1.5
351.07156	1.5
351.11047	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
51.86149	1.1
55.01759	1.3
57.03314	3.0
58.00466	3.1
59.01250	100.0
71.01254	58.7
71.58673	1.0
72.01588	1.1
72.99178	4.9
73.02818	7.7
83.01272	5.3
85.02824	16.8
85.89078	0.9
87.00745	1.8
89.01760	1.9
89.02316	38.0
92.42952	0.9
95.01259	3.3
96.95870	2.7
98.80484	1.0
98.95458	2.2
99.00775	3.6
99.30600	1.1
101.02325	37.7
113.02334	24.5
118.55560	1.0
119.03383	17.6
125.02380	1.7
131.03438	2.1
134.02399	1.6
134.03542	0.9
136.07582	1.1
140.82004	1.0
143.03421	2.7
149.04451	1.7
149.05954	1.2
159.02985	2.4
161.04474	13.1
164.72739	1.0
179.05484	5.1
187.13321	4.0
202.04996	2.6
307.17593	4.5
334.09518	5.2
349.12106	4.2
349.18524	5.7
350.19171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76029	2.4
57.14176	2.5
59.01254	100.0
62.30974	2.2
67.17816	2.3
69.60155	19.5
71.01261	16.9
73.02826	5.3
83.01281	2.6
85.02823	4.6
89.02316	6.7
95.01281	3.9
96.95917	4.1
98.03095	2.5
99.00819	2.6
101.02308	8.0
109.02836	5.8
113.02308	8.5
123.04395	3.1
125.02335	5.0
136.07582	3.5
144.74695	2.8
245.69629	2.9
305.11456	3.6
314.67731	2.6
349.15063	5.1
349.18677	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86283	1.9
59.01253	100.0
60.01601	1.8
69.40034	3.3
69.40451	13.6
71.01283	2.6
72.12688	1.9
80.51312	1.8
81.93837	1.9
86.25114	2.1
89.02316	2.2
98.19821	3.1
101.02366	2.4
102.95210	1.7
120.64265	1.6
129.48354	1.8
233.91669	1.9
268.76196	2.1
320.87045	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	349.1869
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
52.05851	0.9
55.01759	5.3
57.03328	4.7
58.00465	4.9
59.01254	100.0
60.01584	1.2
61.39658	1.1
65.63019	1.0
69.76691	5.6
70.02206	1.2
71.01257	91.3
72.01577	1.1
72.99192	6.3
73.02821	17.8
76.58615	1.1
83.01256	8.6
85.02827	27.3
87.00750	3.9
89.02321	64.0
95.01267	6.5
96.95908	3.5
98.19751	1.0
99.00774	7.4
101.02326	66.0
106.40841	1.2
113.02335	39.3
114.02676	1.1
119.03391	27.3
125.02348	2.0
131.03398	3.9
141.09071	1.9
143.03409	7.5
149.04431	1.6
159.02875	4.6
161.04474	22.3
179.05542	8.0
182.36311	1.1
187.13318	8.7
190.92162	1.1
197.97992	1.4
306.65521	1.0
349.18689	25.6
350.19131	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2228
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
51.88302	0.3
60.89461	0.3
62.68364	0.2
70.08177	0.8
70.08595	0.5
75.28642	0.2
98.19939	0.3
99.55498	0.2
134.67136	0.2
135.08057	4.0
141.11961	0.3
149.05951	1.4
150.06779	13.7
151.07068	0.3
163.07562	100.0
164.07893	4.9
176.08316	0.4
183.13841	3.6
205.60977	0.2
297.49689	0.3
314.18970	0.4
329.21179	1.1
330.21503	0.3
332.19965	1.5
333.20331	0.3
338.27307	0.3
347.22266	72.9
348.22623	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	349.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.0
65.12215	0.2
71.01263	0.3
75.07952	0.2
79.95621	1.2
81.61850	0.2
84.72230	0.2
85.44221	0.2
89.27757	0.2
96.95891	100.0
97.95808	0.4
98.20532	0.6
101.02328	0.2
141.02681	0.2
269.13852	1.6
303.16687	0.2
349.09583	8.2
349.13721	0.6
350.09534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.49691	0.6
55.01754	0.9
57.03327	1.8
58.00475	2.2
59.01254	47.9
60.01577	0.7
60.64782	0.6
61.48008	0.6
65.35501	0.6
69.03331	0.8
69.43557	2.0
69.43990	3.5
71.01258	27.8
72.01588	0.6
72.99176	7.1
73.02816	1.2
83.01271	2.3
84.11906	0.6
85.02834	5.5
87.00724	1.5
89.02323	24.3
95.01262	2.2
95.71423	0.6
96.95876	1.0
99.08015	1.1
101.02327	20.0
113.02341	9.6
119.03393	13.4
125.61442	0.6
131.03447	0.7
139.11211	7.4
143.03438	1.3
149.04478	0.7
151.00212	0.7
167.10695	100.0
168.11049	3.7
178.28156	0.6
179.05534	1.5
185.11771	25.5
186.12157	1.3
347.17111	72.1
348.17484	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	347.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01440	7.3
53.13126	7.0
59.01257	100.0
71.59109	14.1
89.43428	7.6
96.95922	12.6
126.18773	9.2
133.21169	7.5
147.93005	8.6
229.11380	7.6
243.13899	26.3
243.47865	7.6
329.67038	7.5
347.09714	16.3
347.18695	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	347.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.7
68.20893	0.2
71.39297	0.3
79.95615	1.3
90.97040	0.2
95.63375	0.2
96.04552	0.1
96.95892	100.0
97.95808	0.3
111.17046	0.2
113.25751	0.2
142.08224	0.1
276.91962	0.2
292.02258	0.2
309.08630	0.2
347.08057	7.8
348.08444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32083	3.1
55.01774	3.2
59.01248	4.7
69.47359	29.7
71.01281	5.0
85.02808	5.1
89.02307	5.9
95.04893	6.5
96.95863	4.0
98.20575	5.7
101.02339	6.7
108.04406	4.4
110.05995	94.1
111.08027	5.0
113.02347	3.7
116.04936	30.6
118.06480	8.9
122.06004	99.0
124.03941	3.9
144.04459	66.1
145.04819	4.0
147.03116	4.6
162.05519	100.0
163.06012	5.8
188.03453	16.4
195.05235	4.1
255.11316	22.4
267.11411	56.4
273.12405	17.3
285.09189	6.0
285.12442	98.7
285.15405	6.5
286.12805	5.6
303.13593	22.5
315.83380	3.9
329.11484	4.6
347.12622	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	345.1555
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
57.03324	2.1
58.00473	4.2
59.01251	62.6
69.03336	1.6
71.01255	42.4
71.40816	1.2
71.59039	2.0
71.59401	1.2
72.99189	6.9
73.02815	5.6
78.36160	1.2
83.01247	2.9
85.02837	7.7
87.00758	2.1
89.02316	32.8
95.01256	3.3
96.95898	3.7
101.02319	29.2
109.02852	1.9
113.02326	12.0
119.03387	15.3
121.02817	1.5
121.10121	53.5
131.03391	2.3
135.04434	3.7
137.09622	12.1
143.03346	1.6
149.04500	1.3
151.03899	1.9
161.02432	1.4
165.09128	86.9
166.09457	5.5
171.10185	3.0
179.05463	2.2
183.10187	55.4
184.10640	1.8
201.05476	1.2
225.11208	2.1
247.06041	2.0
302.10315	2.1
309.12180	1.5
327.09964	1.5
343.21506	1.5
345.15558	100.0
345.22421	26.1
346.15930	6.7
346.23328	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	23.6
61.35186	14.0
69.22680	15.7
71.57679	22.5
109.42592	15.7
137.09650	32.0
163.07510	79.1
171.10176	100.0
248.96022	21.4
286.24670	18.4
290.97119	38.7
291.19815	25.5
309.20743	98.8
345.20688	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01237	2.6
68.99698	1.0
71.01254	1.4
71.58632	0.9
73.02808	0.8
84.04424	1.3
85.02827	0.6
87.00749	0.8
89.02328	0.8
94.02859	1.0
94.06480	0.6
95.03653	3.2
96.08062	1.1
96.95857	1.5
101.02324	0.8
104.04946	2.1
106.06499	5.5
107.04939	0.7
108.04420	0.8
111.29832	0.5
112.03934	1.1
113.02326	0.6
114.90608	0.5
120.04399	0.9
122.06026	3.4
123.03123	1.3
124.07571	5.6
132.04453	48.9
133.05244	21.9
134.06047	8.3
138.05513	1.0
138.18613	0.5
148.03949	2.2
150.05470	1.8
153.01843	1.0
160.03954	0.6
165.04227	34.5
166.04576	0.9
176.03445	2.1
176.07082	1.0
177.04222	5.1
178.04997	1.5
181.08632	0.6
183.10201	0.6
184.07588	1.4
184.47481	0.5
185.08292	0.9
186.09175	5.4
187.08702	0.8
198.09180	1.5
209.03220	6.7
210.03705	0.6
212.10829	0.9
213.06636	5.1
214.12309	8.1
215.11844	9.6
216.12164	0.7
221.08144	0.7
225.06691	0.7
226.07405	1.7
227.08160	1.6
229.09764	5.2
234.32399	0.5
239.09258	1.2
240.10588	2.7
241.09825	4.9
253.05988	0.6
255.07761	0.6
255.11353	2.1
257.12936	28.4
258.13187	2.3
268.08548	0.8
273.08786	1.0
283.10876	15.6
284.11130	1.2
301.11945	22.8
302.12253	1.9
327.09851	3.2
345.10855	100.0
346.11203	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	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.7
68.99677	0.8
70.64211	3.2
71.01260	3.6
79.64281	0.9
84.04400	2.6
85.02808	1.3
86.05714	0.7
87.61231	0.7
89.02322	2.4
93.03326	1.5
95.03649	5.6
96.08062	2.8
96.95872	2.5
97.01604	1.1
98.57745	0.8
101.02318	2.3
104.04932	2.8
106.06513	9.9
107.04875	1.2
112.03947	1.6
113.02335	1.1
115.95152	0.9
119.03397	1.4
120.04482	1.1
121.02803	0.8
122.05967	4.2
123.03180	1.9
124.07552	7.6
129.43593	0.8
132.04451	69.5
133.05246	33.3
134.06035	11.2
135.04416	3.7
138.05511	3.0
142.85645	0.7
146.06053	1.2
148.03949	2.9
150.05518	3.8
153.09157	1.3
165.04230	48.3
166.04530	1.3
175.04012	1.3
176.03416	2.3
176.07027	1.1
177.04225	7.3
178.04909	2.3
179.03445	4.2
184.07614	2.9
185.08315	1.1
186.09166	9.4
187.08733	1.9
191.05550	2.2
198.09190	1.3
209.03242	9.7
213.06686	5.8
214.12318	11.9
215.11813	14.0
216.12251	1.0
226.07472	2.6
227.08229	1.9
229.09735	7.1
240.10329	2.3
241.09758	5.7
255.11446	2.1
257.12949	51.0
258.06454	1.1
258.13260	3.5
283.10883	14.4
301.11935	37.7
302.12274	2.5
309.95233	0.9
327.09805	2.9
334.99216	0.8
345.10898	100.0
346.11282	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.33268	0.3
50.49035	0.5
57.03301	0.5
64.03062	0.4
66.62925	0.4
69.56009	2.9
82.77097	0.3
98.20631	0.5
99.08042	0.5
102.26421	0.3
121.10123	11.5
125.09609	1.5
127.11182	2.2
137.09637	2.6
139.11191	1.7
145.08449	0.3
153.09103	0.8
153.12747	0.5
165.09155	1.3
171.10182	73.5
172.10536	3.2
172.72249	0.4
271.66705	0.4
293.21234	1.9
320.94159	0.4
343.24875	100.0
344.25217	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	344.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	13.8
59.01245	7.7
60.86381	3.2
62.19341	2.9
62.54522	3.1
65.99722	10.0
71.01260	5.2
71.50051	4.2
74.03099	3.0
81.03345	6.4
83.01248	10.3
85.02840	4.0
86.88942	3.4
93.03333	6.4
95.01247	7.4
95.04932	5.0
97.02798	7.9
98.02319	4.0
98.95481	11.9
99.00761	7.7
101.02351	3.3
105.03365	4.7
107.04904	3.8
108.02089	4.3
109.02829	39.2
111.00772	23.8
113.02336	4.2
113.05935	4.8
121.02852	16.6
123.00766	16.3
123.04443	19.5
124.01566	7.1
125.02341	100.0
125.48045	3.5
130.69955	3.3
133.02843	4.6
134.02376	4.7
135.04414	11.8
136.01512	3.3
136.05136	6.9
137.02359	74.4
137.05542	4.8
138.03116	10.8
139.00285	28.3
139.03891	13.5
140.07091	43.2
141.01820	14.5
146.02368	3.0
147.04385	4.6
148.03969	18.1
149.02371	23.8
150.01787	3.1
150.03029	6.9
151.00241	6.1
151.03879	25.6
152.01031	4.7
152.03430	3.4
153.01837	33.5
155.03372	6.1
159.04428	11.1
160.03926	9.7
161.02357	34.8
161.06015	5.7
162.01810	7.4
162.03036	3.8
163.03885	9.4
164.01070	13.9
164.03423	22.1
165.01828	14.2
166.02568	6.1
167.03406	18.6
172.03912	15.3
173.02347	7.6
175.03937	18.1
176.03394	24.8
177.01828	14.5
177.05449	6.1
178.01373	9.2
179.03421	20.5
180.04214	5.6
181.01364	10.7
181.04759	11.8
182.04489	4.1
182.08971	3.4
184.04089	3.1
187.35709	3.0
188.03448	14.7
189.05504	6.9
190.05029	9.1
191.03391	10.8
191.07028	6.8
195.02950	7.1
200.03421	9.7
203.03432	4.5
204.02979	11.9
205.05042	4.0
206.04491	10.1
209.08125	13.6
213.05525	8.9
215.03418	5.4
215.07286	3.2
216.06467	3.6
217.04944	5.3
218.04573	9.3
229.04990	3.9
231.06493	17.1
240.06654	3.4
253.05040	3.3
255.06635	5.5
257.12888	6.7
258.07626	7.4
259.05969	5.1
273.07745	8.0
299.05573	12.0
300.08914	5.1
304.05853	9.2
308.05502	6.8
316.08392	4.8
317.06708	13.3
326.06680	30.7
344.07697	92.5
345.07813	6.2
345.13437	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	4.4
59.01046	2.2
59.01255	25.3
60.58889	2.7
69.03320	5.5
71.01231	3.5
71.59454	3.4
73.02817	3.5
87.89412	2.6
95.04855	2.7
96.95894	23.5
97.06491	13.1
99.08023	9.6
100.68273	2.4
107.87119	2.6
121.02885	3.6
122.72784	2.5
123.08062	13.9
125.09614	77.2
126.09961	2.8
127.11185	10.7
137.09651	3.1
139.11153	4.5
141.09079	5.1
143.10667	3.7
149.13321	2.6
153.09106	4.3
155.10666	5.7
162.19478	2.6
171.10208	25.6
185.11729	5.3
187.09660	12.2
193.12225	13.8
197.11726	5.1
199.09720	4.6
201.11263	99.6
202.11536	4.1
211.13220	4.1
215.12735	12.8
225.11287	12.0
225.14912	24.3
243.12386	14.5
243.16010	9.2
263.20071	4.1
307.19226	9.4
325.20187	16.5
343.11649	3.6
343.24890	100.0
344.25323	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.00383	0.5
52.86629	0.6
59.01245	1.5
65.48945	0.6
65.81651	0.7
69.03301	0.8
73.20465	0.6
83.04886	0.6
87.82655	0.6
96.02353	0.7
99.08054	5.6
104.54592	0.6
121.10129	6.0
125.09617	2.3
127.11185	1.5
137.09605	1.4
139.11147	1.5
171.10190	41.7
172.10471	1.5
193.12263	7.1
194.12703	0.8
201.11317	2.4
211.13307	1.4
225.14934	10.2
226.15166	0.9
227.41879	0.7
243.16008	4.7
274.32397	0.7
283.57269	0.6
293.21262	3.5
305.36624	0.6
311.22153	0.9
343.24884	100.0
344.25244	9.7
359.35599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42842	0.4
57.03335	0.7
59.01258	1.8
59.01492	0.4
60.22763	0.3
63.65302	0.3
63.98028	0.3
66.81480	0.4
67.25279	0.4
69.03336	2.1
70.76878	0.4
71.14934	0.8
80.02536	0.3
83.04898	1.2
97.06451	1.3
99.08030	10.1
99.08644	0.7
111.05865	0.4
111.08063	0.4
113.09579	0.3
121.10152	1.9
123.08028	0.4
125.09590	2.9
126.28267	0.4
127.11192	0.8
129.09065	0.4
137.09595	1.5
139.11201	1.1
143.10620	0.3
149.13226	0.5
151.11221	0.4
153.09076	0.6
163.11272	0.6
165.12759	1.0
171.08745	0.7
171.10188	12.3
175.11192	1.2
183.77151	0.4
193.12283	18.8
194.12605	1.1
197.15363	0.7
201.11353	0.5
211.13362	3.6
215.12845	0.5
225.14917	25.4
226.15224	1.5
243.12346	1.1
243.15991	9.4
244.16399	0.5
293.21149	2.5
301.79108	0.3
311.22287	0.8
325.20218	1.4
325.23792	0.8
343.24878	100.0
344.25201	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.5
69.03320	2.2
70.92284	1.1
71.01260	1.6
71.04922	0.5
83.04889	1.6
84.02043	5.7
89.02306	1.6
95.04906	0.9
97.02831	1.8
97.06472	12.4
99.04405	2.3
101.02275	0.6
101.85805	0.5
111.08055	0.7
125.09651	2.6
125.10463	0.6
127.11210	0.7
137.09589	1.9
149.13232	0.6
151.11165	0.6
163.11090	0.5
165.12839	0.8
171.10196	19.1
175.11165	0.9
177.12718	0.6
179.05493	0.5
183.13934	0.5
185.11765	0.7
193.12283	19.2
194.12605	1.1
197.02721	0.9
211.13310	3.4
221.11760	1.2
225.14919	26.1
226.15231	1.1
241.64049	0.6
243.16000	10.8
245.61905	0.6
248.79558	0.4
253.14484	1.2
259.68698	0.7
266.12698	0.5
278.53174	0.5
291.19772	2.0
305.21130	1.2
323.22412	0.8
341.23312	100.0
342.23685	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.7
59.48829	0.7
69.03320	0.8
70.32780	1.3
70.33169	1.5
71.01249	1.5
84.02040	24.6
89.02323	3.3
89.95438	0.7
97.02833	8.4
97.06470	1.4
99.04421	5.3
101.02327	0.8
101.21957	0.7
109.11661	0.7
113.56513	0.6
115.55417	0.7
119.03384	1.4
119.04915	2.1
119.08591	3.4
125.09622	1.3
127.11191	1.7
135.04431	6.8
135.08063	2.0
137.09561	1.6
153.09052	0.6
171.10179	69.7
172.10519	3.2
180.83296	0.7
186.24165	0.6
193.12227	1.0
211.13383	0.9
221.11873	0.8
225.14987	1.7
228.87546	0.7
239.12912	0.7
253.14430	0.9
291.19720	1.4
300.96918	1.0
334.88150	0.8
341.23312	100.0
342.23581	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	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11696	0.4
52.37691	0.4
59.01250	100.0
60.01581	0.7
65.89305	0.4
70.78780	0.9
83.80613	0.4
87.18240	0.4
104.26793	0.5
115.02419	0.6
117.00368	0.5
157.03496	4.0
159.01405	6.1
160.01624	0.6
201.02483	77.6
202.02634	5.8
229.91074	0.4
239.55244	0.5
343.03717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03567	1.0
57.03313	1.9
58.00466	1.6
59.00949	1.8
59.01250	31.7
61.30169	1.0
71.01256	23.0
71.24473	2.4
72.99183	1.9
73.14022	1.1
83.04869	1.3
84.56931	1.0
85.02835	3.7
85.54489	1.0
85.79189	0.9
89.02322	27.5
90.02613	1.2
93.03342	1.2
95.01276	2.5
97.02789	1.2
98.19865	1.2
101.02317	11.9
109.02839	1.6
113.02333	8.8
113.09602	1.2
119.03387	11.2
119.04920	2.5
123.04400	3.1
125.09627	3.0
135.04401	2.3
142.02567	1.3
143.03403	2.4
149.04445	1.1
151.11212	5.9
153.09096	3.6
154.09894	1.8
161.04449	3.0
162.07097	1.0
163.11258	1.2
165.12694	1.1
169.12251	1.6
171.10197	4.5
177.12715	1.6
179.05545	10.6
196.16818	1.2
203.14333	1.6
213.11266	4.7
221.11806	2.1
243.21838	1.2
247.20633	7.8
255.72134	1.2
269.41321	0.9
273.18643	1.3
290.23718	1.4
291.19669	100.0
292.19968	7.5
309.20688	39.2
310.21121	4.4
341.10733	10.0
341.18115	3.1
341.23315	63.2
342.23727	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73459	1.4
54.76360	1.6
57.03327	7.3
59.01257	17.6
61.51157	1.4
69.03328	6.8
70.83572	5.4
71.01250	14.0
71.04527	2.9
71.04897	40.8
71.52578	1.5
80.02551	3.2
81.02886	2.5
81.03336	37.0
83.01223	1.9
83.04897	26.2
84.02039	2.8
85.02827	2.0
87.04395	1.9
89.02312	11.8
93.03337	4.1
93.71789	1.5
95.01244	2.5
95.04901	18.2
97.02829	7.1
97.06461	4.1
98.03593	1.8
99.04401	43.6
101.02330	5.3
101.05976	2.2
102.05502	2.4
106.04106	1.6
107.04900	2.1
108.02042	3.6
108.26724	1.4
109.02841	5.9
109.06481	13.2
110.03613	2.0
111.04404	9.6
113.02325	2.8
119.03386	3.4
119.04917	4.9
121.02840	4.1
121.06464	2.6
123.04426	2.3
123.08080	3.3
124.01512	3.4
125.09604	3.8
127.07558	1.9
133.06461	2.1
135.04453	12.1
139.07555	2.4
147.04425	3.0
147.08002	1.7
151.07579	12.4
153.09154	3.5
155.10683	2.7
165.09244	2.0
165.12703	2.1
171.10187	40.7
175.11171	2.7
177.12695	1.7
179.05487	3.3
189.09137	4.8
189.12785	5.1
191.14375	6.4
193.12270	19.6
199.13354	3.7
201.09241	2.9
201.11166	3.2
205.08591	8.6
205.15936	2.3
207.13850	3.1
209.11732	3.9
211.13324	3.3
217.12196	2.2
219.10147	4.3
233.11852	3.2
235.13379	49.9
236.13559	2.7
239.12949	1.9
243.17555	4.8
249.15074	3.2
251.12810	1.9
253.14436	100.0
254.14778	7.2
266.78690	1.7
287.16528	25.0
288.16776	2.2
305.17630	15.2
323.18597	4.8
341.10379	3.5
341.14243	7.5
341.19589	10.7
342.19464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76925	1.9
57.03309	5.0
58.00473	3.7
59.01253	72.8
59.79744	1.4
65.03822	4.9
67.01767	4.4
70.07780	1.6
70.43266	7.1
71.01254	59.1
71.04904	2.1
72.99177	2.8
73.02837	3.9
73.21651	1.5
75.00742	4.4
81.03336	3.3
83.01249	4.0
83.04877	4.7
85.02822	5.7
87.00753	5.5
89.02320	94.5
90.02689	1.6
93.03333	5.0
95.01277	3.0
97.06443	3.0
101.01699	2.8
101.02325	39.4
105.39430	1.5
107.04894	16.5
109.02835	9.3
109.06503	3.9
113.02338	31.6
119.03400	45.2
119.04888	16.8
120.03783	1.6
120.05253	3.4
121.02823	5.1
121.32970	1.7
123.08055	3.6
125.02350	8.7
125.09614	28.3
127.11211	4.2
131.03423	5.3
135.04446	7.6
135.08058	2.3
137.02371	8.7
139.03915	5.5
139.07567	12.1
139.08537	1.7
141.09125	2.2
143.03397	16.5
145.02896	2.0
148.07014	2.0
149.04388	4.0
149.05998	3.6
151.03917	100.0
152.04268	5.0
153.09084	2.5
155.10670	2.8
157.06523	2.3
158.03598	2.5
161.02382	3.2
161.04515	16.0
163.00250	2.1
163.03905	12.2
163.07547	3.7
164.01094	2.9
164.04701	2.2
169.08569	3.8
171.10202	9.0
172.05263	3.5
175.03996	3.6
177.09117	7.5
179.05545	50.2
185.09544	2.9
187.03886	2.2
187.09708	12.3
187.37909	1.6
189.05405	1.7
189.09138	7.0
191.06949	1.8
197.02690	5.0
201.09328	2.8
201.11259	57.9
202.11679	3.1
202.49005	1.7
203.10735	3.0
205.08640	22.5
211.04095	2.5
211.07664	1.8
211.13409	4.7
213.09190	5.6
215.12923	4.0
217.08739	2.1
221.08099	2.4
225.11249	4.8
227.10773	4.4
229.08604	2.0
231.10266	2.4
235.09705	18.3
241.12238	2.2
243.12399	6.1
251.10770	2.4
253.12306	4.9
255.10310	4.9
269.11789	3.6
271.09869	4.9
272.03336	1.9
273.11343	7.3
277.18036	2.1
279.10208	13.7
279.19754	2.5
280.10550	2.2
297.11404	9.9
298.05139	1.9
299.09113	2.2
305.17545	2.8
309.10336	5.1
313.10767	6.8
323.09253	5.4
323.18561	6.4
341.10593	83.1
341.14078	21.3
341.18240	11.1
341.23474	4.2
341.26837	2.2
342.10773	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	341.1969
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
51.07160	1.4
51.70375	1.3
55.01750	1.9
57.03318	5.6
58.00462	2.9
59.01022	1.2
59.01255	12.0
62.53907	1.2
68.10110	1.3
69.03327	2.1
69.36325	9.3
69.36746	5.8
71.01256	8.1
71.04901	6.8
73.02793	2.5
79.14684	1.3
79.30119	1.4
80.02585	2.1
81.03336	5.3
83.04868	4.0
85.02881	1.9
87.04340	1.8
89.02319	7.4
93.03363	1.7
95.04881	4.5
97.06480	3.3
98.03620	7.1
101.02316	3.1
109.06480	39.2
113.02338	2.7
119.03365	3.0
119.04925	2.4
120.64782	1.5
123.04366	2.1
123.08049	9.8
125.09619	23.4
127.07542	19.2
127.11172	13.7
128.07887	1.9
132.71742	1.2
135.08098	2.4
137.09619	2.0
139.11185	2.2
141.09068	3.9
143.03383	1.7
149.58963	1.3
151.07516	3.0
151.11182	4.2
153.09125	2.9
155.10712	4.8
165.09081	4.6
169.08502	1.4
171.10191	14.9
179.05478	2.8
183.10133	2.4
185.11691	2.4
195.10216	5.1
197.11592	1.6
199.09717	9.3
201.11261	100.0
202.11600	4.7
205.08673	5.9
209.11772	2.1
213.11276	76.2
214.11568	4.0
215.12926	1.9
220.58951	1.5
227.12779	1.8
233.11713	2.6
235.09705	4.5
249.15007	2.6
251.12881	27.4
252.13292	1.7
287.16544	22.9
288.16901	2.5
305.17593	21.2
323.18634	28.9
324.19189	2.4
341.10693	3.6
341.14191	3.5
341.19650	58.9
342.20059	5.3
348.35471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.9
58.00485	2.0
59.01248	39.9
64.84898	1.7
67.01757	1.9
69.03309	5.5
69.30126	5.1
69.30544	15.4
71.01254	32.2
71.04894	52.0
72.99252	2.0
73.02827	2.1
74.73455	1.9
80.48393	1.9
81.03332	40.5
81.03770	3.6
83.04901	31.6
85.02800	6.3
85.25795	1.7
86.48058	2.0
89.02309	27.9
93.03310	9.5
93.50613	2.0
95.01263	3.2
95.04899	19.2
97.02816	7.3
97.06469	7.5
98.03604	4.2
99.04401	46.4
101.02329	12.9
101.06014	2.5
106.04084	2.0
107.04955	2.4
108.02074	3.1
109.02816	5.7
109.06477	13.2
111.04381	15.0
111.54552	2.1
113.02336	7.0
119.03395	8.8
119.04916	97.8
120.05242	6.2
121.02852	3.1
121.06482	7.1
123.04447	3.3
123.08053	4.1
125.09628	5.8
127.07536	2.2
127.11253	2.5
133.06490	3.9
135.04449	11.1
135.08029	2.7
139.07509	3.4
143.03360	3.3
147.04454	2.0
149.02379	2.5
151.07574	16.2
153.09087	6.6
155.10721	3.9
161.04439	4.0
161.05861	2.6
165.09154	3.7
165.12720	3.4
171.10173	50.7
172.05231	2.0
172.10527	3.4
173.01973	1.8
175.11130	2.4
179.05568	9.2
179.07016	2.9
189.12726	3.8
191.06978	3.2
191.14354	8.2
193.12250	27.5
199.13307	3.1
201.11253	4.7
203.07043	3.8
205.16005	2.5
207.13771	4.5
209.11794	4.5
209.15543	2.1
211.13374	4.0
213.11174	3.5
225.14899	3.0
227.03407	2.8
233.11678	4.0
235.13347	61.7
236.13657	3.0
243.17590	4.3
247.13412	2.7
249.15034	4.6
251.12914	2.8
253.14444	100.0
254.14809	8.4
267.86371	2.2
287.16531	36.7
288.16919	4.0
305.17566	24.7
313.10831	2.6
323.18573	12.0
341.10489	18.6
341.13922	23.0
341.19742	17.1
341.23383	6.1
342.14212	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.4
70.03565	1.1
70.03963	1.1
71.01258	7.3
74.11971	0.6
85.02833	1.1
86.20357	0.5
89.02324	8.0
93.03340	0.7
98.19814	0.8
101.02318	3.3
106.15553	0.5
113.02318	1.8
119.03386	2.8
119.04888	2.9
135.04387	0.9
137.09637	3.9
141.09117	38.3
142.09459	1.2
143.03426	0.7
155.10692	42.2
156.11038	1.9
161.04507	0.7
162.32597	0.5
171.10191	18.4
172.10492	1.0
179.05492	3.0
181.08687	0.9
199.09709	11.5
200.10098	1.0
217.10768	100.0
218.11111	4.3
272.62390	0.7
341.10873	3.2
341.18262	0.8
341.18991	0.8
341.23517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Millinolol
Peak:m/z	Relative Intensity
59.01259	2.0
62.36440	0.2
65.03831	2.1
67.01750	1.1
69.83327	1.7
71.01266	1.7
72.45911	0.3
76.08202	0.3
79.05361	0.3
84.02056	2.0
89.02311	1.7
91.05412	11.7
92.05719	0.5
93.03337	2.9
97.02826	0.9
98.20521	0.4
99.04430	0.5
101.02343	0.7
107.04872	0.9
109.02837	11.4
110.01357	0.3
110.03190	0.4
113.02341	0.7
117.06992	0.6
119.03397	0.8
119.04912	2.7
121.02844	10.1
122.03167	0.5
124.01569	0.7
125.09594	0.4
135.04417	100.0
136.04755	3.5
137.09654	0.5
139.03990	0.4
147.04416	2.2
148.05180	0.8
149.06017	0.5
151.03822	0.6
157.10141	0.3
161.06001	5.3
168.58575	0.3
171.10204	5.8
175.07564	0.6
179.05536	0.7
183.13847	0.7
185.05977	0.5
193.08652	0.6
197.02771	0.6
201.09148	10.2
201.11044	0.3
202.09555	0.5
211.13322	0.6
219.10222	14.9
220.10591	1.0
225.15088	0.4
229.19431	0.4
291.19495	0.5
309.10733	0.3
341.14023	11.8
341.18051	1.1
341.23270	9.3
342.14383	1.2
342.23737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
55.09649	0.9
59.01252	12.6
65.03834	2.7
67.40424	0.8
69.35466	7.3
69.35873	1.7
70.15644	0.8
71.01260	8.5
79.05404	1.5
84.02045	0.9
87.00776	1.0
89.02320	9.4
91.05402	11.5
93.03345	5.7
96.44312	0.8
97.06472	2.0
101.02323	5.0
105.03297	1.0
105.06979	9.1
107.04903	4.3
108.02044	1.9
109.02841	9.3
113.02335	3.0
119.03373	2.7
119.04908	4.1
120.05256	1.0
121.02847	22.2
122.03155	0.9
123.04424	10.7
125.09579	1.1
134.03671	1.3
135.04416	100.0
136.04747	3.1
147.04439	14.0
149.05988	31.6
150.06340	1.8
157.10088	1.6
161.04646	1.9
161.06018	4.4
163.97414	1.0
171.10126	5.1
175.07562	7.3
175.11183	1.4
179.05516	4.1
185.05966	1.2
187.07646	1.9
193.08643	7.4
193.12288	2.2
201.09135	31.1
202.09538	1.7
205.08644	31.5
206.08925	2.2
219.10214	26.3
220.10553	1.9
221.75676	0.9
225.14900	4.4
231.10168	5.3
243.16014	1.1
263.16519	1.6
305.17624	1.8
341.10431	4.0
341.13950	13.3
341.19608	1.4
341.23291	13.5
342.14279	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.2
58.00459	0.3
59.01250	5.0
62.52236	0.2
69.03345	0.3
70.33797	0.8
70.34144	0.3
71.01253	3.9
72.41496	0.2
72.99179	0.3
81.03311	0.3
83.04897	0.3
85.02834	0.6
87.00771	0.3
89.02319	4.4
89.91345	0.2
90.26485	0.2
91.05416	0.4
93.03337	6.1
95.01261	0.3
97.06464	1.5
101.02334	1.9
109.02830	0.2
113.02331	1.3
119.04919	100.0
120.05243	3.7
121.02840	2.2
122.32368	0.2
123.08104	0.3
125.09618	0.9
131.03439	0.2
135.04439	2.6
137.02332	1.0
139.11197	0.2
143.03409	0.3
147.04422	0.8
149.02359	1.8
161.02380	0.2
161.04517	0.4
163.03925	0.4
171.10185	1.6
173.06024	0.2
175.03960	0.3
179.05537	1.6
193.12262	2.1
197.02628	1.0
201.11256	1.0
203.07085	0.2
205.08713	0.3
209.08176	0.6
211.13370	0.4
213.11217	0.2
225.05449	0.2
225.11412	0.2
225.14882	2.7
226.15263	0.2
230.02440	0.2
235.13351	0.4
243.15996	0.9
251.07025	0.2
269.08182	4.2
270.08658	0.2
276.48022	0.2
305.17639	0.4
323.18454	0.2
341.10895	0.8
341.13943	7.7
341.18042	2.5
341.23346	8.4
341.27426	0.4
342.14313	0.7
342.23685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38956	0.2
57.03327	0.5
58.00463	0.6
59.01252	9.4
65.03830	0.3
69.70416	1.0
71.01256	7.0
71.04906	0.2
72.99195	0.4
73.02810	0.5
83.01259	0.2
83.04894	0.4
85.02826	1.0
87.00742	0.3
89.02320	8.3
89.64909	0.2
93.03336	5.1
94.72375	0.2
95.01266	0.4
95.04906	0.4
96.95892	0.2
97.02847	0.4
97.06509	0.2
98.20535	0.3
99.04387	0.2
101.02320	3.9
109.02850	0.3
113.02347	2.7
116.51780	0.2
119.03460	2.8
119.04919	100.0
120.05251	3.5
121.02870	0.3
123.04530	0.2
123.08049	0.7
125.09624	0.5
131.03412	0.3
133.02864	1.5
135.04398	1.1
136.77814	0.2
137.02318	0.5
143.03403	0.8
147.04417	0.7
149.04509	0.2
151.03914	0.6
151.07564	0.4
159.04442	0.5
161.04443	1.0
171.10197	1.5
177.01982	0.2
179.05545	2.7
183.13953	0.2
185.11769	0.2
189.01851	0.3
195.13776	0.3
199.09773	0.5
199.64453	0.2
201.11186	1.3
205.08669	0.5
209.08148	0.7
209.11769	0.5
211.13425	0.2
213.11247	0.5
219.10289	0.2
247.13370	0.3
265.08716	1.3
271.06128	0.3
305.17621	0.6
323.12839	0.4
323.18594	0.6
326.96762	0.2
341.06702	0.4
341.10724	2.0
341.13971	4.3
341.19611	2.0
342.14426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05550	1.4
57.03324	1.5
58.00461	2.8
59.01254	83.6
65.03815	3.8
67.01750	1.5
71.01255	73.1
71.57953	2.9
72.99171	5.1
73.02827	2.5
83.01266	3.0
85.02834	7.5
87.00755	3.8
89.02321	75.9
93.03341	4.0
95.01247	4.5
100.94563	1.4
101.02332	29.0
107.04925	1.6
108.02068	12.6
109.02839	44.6
109.06446	4.0
113.02333	23.0
119.03416	31.0
119.04893	13.9
120.05254	5.4
121.02850	45.8
122.03676	12.2
125.09588	3.3
129.09074	1.8
131.03395	4.9
135.04413	8.6
136.05182	5.6
143.03398	6.8
149.04456	4.3
151.03944	2.7
161.04530	9.9
161.05629	1.9
163.03931	35.2
164.04723	19.5
171.04482	2.0
171.10210	2.7
175.03932	6.0
175.11189	2.3
176.04526	1.6
177.09137	53.8
178.09369	2.7
179.05531	30.0
196.03654	3.6
199.00603	3.9
203.07019	1.8
207.10178	1.7
219.10225	100.0
220.10645	8.6
221.08371	2.5
221.10814	3.1
222.24341	1.6
231.10234	21.4
291.19641	3.4
309.20700	2.5
316.79004	1.6
341.10776	26.1
341.13974	25.1
341.17834	7.8
341.23199	7.8
342.10965	2.2
342.14639	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02219	0.9
57.03334	1.6
58.00463	1.2
59.01250	54.0
63.02265	1.9
65.00198	1.6
70.58484	3.6
71.01254	38.4
72.01593	1.2
72.99175	2.4
73.02820	15.4
79.95612	1.5
83.01254	8.0
85.02818	6.8
87.00751	1.4
89.02319	27.5
95.01257	1.6
96.95891	100.0
97.02802	1.1
101.02319	16.8
107.01275	4.7
110.74956	1.1
111.20812	0.9
113.02328	16.4
119.03430	10.2
119.04915	10.1
125.02319	1.4
131.03377	1.5
134.03638	2.3
135.04338	1.2
137.02322	2.4
137.06009	1.5
138.05447	1.5
141.95961	1.2
143.03366	3.0
148.37755	0.8
149.02351	0.9
149.04471	1.3
151.00262	12.0
153.01910	1.1
161.04456	3.4
169.01332	1.7
172.11711	1.0
175.31281	1.0
178.99814	2.2
179.05537	8.9
179.07018	1.4
179.10654	1.6
201.11078	1.0
236.91591	1.0
261.13269	2.7
264.69199	1.1
281.10269	3.1
299.11465	1.3
338.85919	1.1
341.05032	7.9
341.09460	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	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98487	0.7
55.01765	1.2
57.03315	1.3
58.00463	2.3
59.01252	100.0
59.68792	0.6
60.01602	0.7
66.02867	0.6
69.03336	1.0
71.01257	58.2
71.15881	0.9
71.16226	1.1
72.01607	1.3
72.99179	4.2
73.02821	24.4
75.00731	0.8
79.95665	0.8
83.01249	8.2
84.02061	0.7
85.02822	13.8
85.03290	1.1
87.00762	2.5
88.03923	1.2
89.02317	29.4
92.04921	0.7
93.03358	1.0
95.01271	4.3
96.95894	75.1
97.02836	0.8
99.00777	2.0
101.02325	28.1
102.02660	1.2
104.91169	0.6
107.18581	0.6
109.02851	0.7
113.02329	25.0
114.02682	0.7
119.03448	12.4
119.04913	38.0
120.05297	1.2
123.03170	5.2
123.03955	0.6
123.04435	0.8
125.02374	1.7
131.03423	2.2
132.02972	1.8
133.02884	1.4
134.03703	0.8
135.04430	6.6
137.02367	1.7
137.06017	2.9
138.05511	43.8
143.03436	2.4
161.02406	4.4
161.04446	4.5
179.03435	7.2
179.05544	6.3
179.06998	0.9
180.06534	0.7
191.05588	1.3
261.13501	1.7
281.10306	11.2
282.10574	1.1
299.11243	3.3
300.11099	0.8
331.23163	0.6
341.09009	9.4
342.08945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85941	1.0
54.86204	1.0
55.01766	1.4
58.00468	2.4
59.01251	100.0
59.89981	1.0
66.02905	1.1
68.08263	1.0
69.03336	1.2
70.72425	1.0
71.01256	57.0
72.99176	3.4
73.02821	54.9
83.01256	13.7
85.02827	5.4
85.63205	1.3
87.00785	2.8
89.02316	25.3
89.02827	1.7
90.82434	1.0
91.01781	1.2
93.03362	2.5
95.01246	1.4
96.95909	3.4
97.02837	1.7
101.02328	45.5
102.02666	2.1
107.04939	2.3
109.02851	2.2
113.02322	15.4
119.03437	8.4
119.04916	16.2
121.02894	1.8
123.03237	1.7
125.02355	2.3
131.03406	3.3
135.00789	5.0
137.02351	52.4
137.05966	4.0
138.02661	1.5
138.05508	26.2
143.03394	5.4
149.02386	1.5
149.04445	3.3
153.01889	3.6
161.04428	5.3
179.05504	6.9
324.47092	1.1
341.11249	7.9
341.16177	1.1
342.12018	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.3
55.06931	1.0
57.03335	1.9
57.59481	0.9
58.00461	4.0
59.01252	100.0
69.45183	0.9
70.91741	1.5
71.01257	60.9
72.99184	1.8
73.02818	1.6
83.01247	1.7
85.02823	10.7
87.00754	2.0
89.02318	43.8
95.01282	4.5
101.02325	18.0
113.02325	16.9
119.03390	17.2
122.55200	0.9
131.03468	1.6
138.01007	1.0
143.03415	4.5
161.04474	4.2
179.05562	14.3
218.37389	1.0
341.10812	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	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.5
57.03316	2.1
58.00464	5.4
59.01252	100.0
59.97484	1.0
69.69860	1.8
69.70267	6.3
71.01254	72.1
72.99184	4.0
73.02813	1.3
73.74440	1.0
83.01244	1.6
85.02821	8.8
87.00755	3.9
89.02319	78.6
95.01263	4.8
101.02323	31.2
106.39257	1.0
113.02323	27.4
113.03065	1.9
119.03395	26.9
125.02284	1.4
131.03398	3.3
143.03416	5.7
149.04472	2.7
161.04459	7.4
179.05528	23.6
248.54247	1.3
249.59863	1.2
269.07620	1.5
318.12054	1.2
341.10895	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.0
65.00185	0.3
69.31998	1.6
69.32404	0.5
71.01251	2.3
73.02817	2.1
79.95619	0.9
83.01268	0.5
85.02831	0.6
89.02318	2.3
96.95892	100.0
101.02325	1.2
113.02334	1.5
119.03383	0.9
119.04833	0.4
121.02774	0.4
137.02272	0.2
143.03476	0.3
151.00284	2.1
161.04466	0.5
178.99754	0.3
179.05472	0.6
179.07031	1.1
187.09708	0.6
201.11186	0.6
261.13474	2.5
313.05484	0.2
341.05188	1.3
341.09009	14.9
342.09177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34783	1.4
57.55522	1.4
59.01250	56.8
60.00146	1.4
60.37517	1.6
66.88219	1.7
67.97038	1.3
71.01254	49.9
71.52504	2.1
72.99168	1.5
85.02827	5.1
87.00744	4.4
89.02317	100.0
90.02646	2.0
95.01228	1.6
97.14120	1.5
101.02319	36.2
101.04456	1.5
103.16477	1.4
113.02339	31.5
114.02650	2.1
118.68026	1.3
119.03381	44.3
125.02310	1.9
131.03400	7.8
143.03429	13.1
149.04475	6.9
161.04456	18.2
179.05524	56.1
215.74139	1.5
341.06754	3.2
341.10873	55.9
342.11151	5.5
351.77124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
52.34973	0.6
59.01249	17.2
70.25587	2.1
71.01255	13.6
72.99183	1.4
73.02813	1.0
81.07162	0.6
83.01276	0.9
85.02837	1.9
87.00763	0.7
87.94478	0.6
89.02315	15.0
89.02827	0.9
93.03346	1.6
95.01243	0.9
96.95906	2.1
101.02322	6.1
107.04945	0.8
113.02321	6.8
119.03393	6.4
119.04951	1.4
131.03404	1.0
134.03654	1.9
135.04416	85.8
136.04770	2.4
137.02383	3.3
138.05537	2.6
143.03392	1.3
151.00307	0.7
161.04483	1.8
163.33917	0.6
165.06252	0.7
173.04465	1.1
177.02031	0.7
179.03424	100.0
179.05435	3.8
180.03851	4.1
190.55905	0.6
209.04465	1.5
259.48132	0.7
281.10342	0.6
341.08844	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	340.1765
Annotation	3'-Acetylindicine
Peak:m/z	Relative Intensity
51.67109	0.5
57.03312	1.2
58.02837	1.0
59.01252	11.5
63.65299	0.5
66.93801	0.4
67.74924	0.4
71.01254	8.3
72.99198	0.6
79.66417	0.5
81.02075	3.0
81.03342	0.6
82.02859	6.2
83.01243	0.7
83.04901	0.9
84.04427	2.7
85.02834	2.2
87.00766	0.9
89.02316	8.3
94.02878	5.1
95.01258	0.5
95.04902	1.0
96.00788	1.1
96.04428	12.9
98.19766	1.1
101.02313	3.7
102.05486	4.0
107.03651	2.7
107.04940	0.6
108.04444	2.2
108.20503	0.5
109.06477	1.9
110.02370	2.8
110.06005	0.6
113.02363	2.8
119.03412	3.9
120.04430	0.5
121.06480	0.7
121.23787	0.5
122.05971	0.7
123.08046	1.0
124.03964	0.8
124.07585	0.6
125.09621	2.1
127.07614	0.7
131.03432	0.6
134.06020	1.1
136.07559	0.5
139.07559	0.5
143.03404	1.1
148.07578	0.7
149.04593	0.5
149.09569	0.6
150.05516	4.7
151.07509	0.7
152.07092	0.9
161.04398	0.7
161.09619	1.7
163.06334	1.1
165.04234	1.9
168.06573	2.3
171.10193	2.5
176.10597	0.6
178.12302	12.5
179.05551	2.7
179.10689	1.4
179.12714	0.5
180.06636	3.3
186.09218	2.5
187.09569	0.7
196.06049	0.8
201.11246	1.4
204.10233	12.6
206.11807	1.7
213.11285	1.2
222.11314	24.6
223.09737	1.0
223.11636	1.1
224.12840	3.4
227.12837	1.2
246.14919	3.9
248.16505	2.2
254.13931	1.8
264.16077	4.3
274.14691	0.5
278.17807	1.0
287.16513	0.9
290.13953	4.8
292.15500	3.4
296.36111	0.5
308.15036	13.7
309.15714	2.1
310.16565	6.7
311.16959	0.8
322.16605	13.2
323.18536	1.5
340.17642	100.0
341.10828	4.4
341.17694	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	339.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76924	0.8
57.03325	1.1
57.60764	0.9
59.01253	2.7
83.04912	1.2
99.01147	1.0
102.55000	1.2
107.08566	2.2
116.47058	0.9
119.04911	5.0
135.04425	3.8
137.09648	2.6
139.11183	1.9
153.09117	2.1
163.11217	1.2
177.01817	1.2
183.01186	7.3
195.08414	4.8
197.02733	18.4
198.03252	2.1
198.20801	1.1
199.13368	3.2
201.06584	0.9
211.04285	1.1
219.10248	2.5
230.02550	2.9
241.09024	2.2
258.00336	1.0
273.18747	1.1
290.18884	1.3
291.19711	20.6
292.19983	2.2
293.21240	15.6
294.21472	1.7
324.17639	13.7
325.17816	1.3
339.19980	100.0
340.20325	9.5
352.20160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
56.45970	1.0
56.86409	0.9
57.03317	4.2
58.50665	1.0
59.01250	3.5
60.89631	1.0
67.32030	1.1
71.18991	2.3
76.34682	0.9
80.02541	2.1
81.03335	1.9
86.44828	1.1
90.42377	1.0
93.03333	1.2
95.04900	2.1
96.83409	1.0
97.02848	1.4
97.06498	1.3
99.55928	1.2
107.04934	1.1
109.02802	1.7
109.06496	1.3
110.03633	2.2
111.08018	1.1
119.04928	15.7
121.02802	1.6
121.06471	2.7
123.04417	8.8
123.08054	14.8
125.09631	2.5
137.09637	1.9
139.11188	10.5
142.02591	4.7
146.62782	1.1
149.06000	1.3
149.09583	2.4
151.07494	1.0
151.11183	6.2
152.08328	1.3
153.09052	2.3
155.14313	2.9
163.07632	1.0
165.12714	1.4
166.21529	1.0
171.10141	5.1
177.12689	2.1
183.01161	8.4
183.10152	2.2
191.14305	1.4
192.65408	1.2
197.02731	4.9
199.13327	25.1
200.13629	1.3
201.11237	1.8
209.11668	1.3
213.11243	4.4
221.11758	3.6
226.12036	1.5
233.15334	1.6
238.12230	1.2
239.12833	1.9
241.14322	2.5
245.19101	14.9
247.17111	1.3
256.96304	1.0
271.17020	2.5
289.18106	100.0
290.18451	7.2
307.19156	55.3
308.19598	6.0
321.20703	4.7
324.19388	12.3
339.12338	7.1
339.16400	17.0
339.21707	49.1
339.25101	1.5
340.22034	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.60162	4.3
69.86583	0.5
70.87466	0.6
72.02353	0.6
98.20525	1.1
137.12019	0.5
163.11201	100.0
164.11534	4.8
182.37988	0.6
183.01149	0.6
223.92592	0.7
339.20114	2.3
339.23288	61.6
340.23630	7.6
364.94647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.254
Annotation	ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol
Peak:m/z	Relative Intensity
54.55482	1.6
54.73941	1.7
57.03322	2.5
57.67925	1.8
57.69456	1.8
59.01248	3.9
71.58459	2.9
89.96548	2.2
91.05428	9.0
91.39109	1.6
93.03299	2.3
99.08027	4.5
109.02845	4.2
112.75049	2.0
113.09590	3.8
119.04923	25.8
121.02854	7.2
129.09122	10.8
135.04420	49.7
147.04480	2.9
159.04402	2.0
176.08420	2.7
179.14337	2.9
183.01160	3.7
193.15771	1.9
195.17435	1.8
197.15445	2.9
199.13353	2.7
204.07965	1.9
209.15489	6.2
211.17062	3.2
214.69009	2.0
217.12311	9.9
219.10228	10.6
220.10576	2.5
221.15474	3.5
225.14900	23.9
227.16502	7.9
239.16498	36.2
273.55386	2.0
321.24335	23.6
339.16495	4.4
339.20413	7.1
339.25418	100.0
340.25705	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	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	5.3
59.01249	7.7
65.03828	4.4
69.03323	6.2
69.65619	2.7
69.75937	9.2
69.76347	4.2
71.01267	3.9
71.04902	29.8
72.99200	2.8
73.02805	6.9
81.03339	11.0
83.04906	11.5
85.02824	4.0
93.03349	5.4
95.04904	6.6
97.02836	9.9
97.06483	17.2
109.06487	2.6
111.04407	47.5
111.08031	4.8
113.05962	5.2
115.03848	2.5
119.04948	14.2
121.06485	8.1
123.08050	21.3
125.05972	2.6
125.09615	100.0
125.10542	5.1
126.09972	3.4
127.11159	6.5
133.06497	2.6
135.04425	3.7
137.05988	7.7
139.07494	3.4
139.12619	2.2
149.05986	8.0
151.07558	8.9
152.57857	2.2
155.10616	2.3
163.11198	5.5
165.09064	3.5
167.07088	22.7
169.08611	4.8
171.10207	43.7
177.12773	3.0
181.12228	3.4
185.11763	9.0
187.09689	88.6
188.09949	4.4
199.09723	5.5
201.11243	50.4
202.11574	2.7
209.11772	2.7
215.12758	3.4
221.11839	4.1
223.13356	4.7
225.11246	4.6
234.26897	2.4
239.12697	4.4
251.16406	2.4
257.13846	15.3
265.14413	3.9
277.18073	37.2
295.19003	4.0
303.16046	13.3
321.17087	20.1
339.08835	3.4
339.12286	14.0
339.18048	11.9
339.25290	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	339.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03493	1.6
52.95823	1.8
57.03324	8.1
59.01258	4.1
69.03339	4.3
70.83815	4.2
71.01266	5.3
71.04895	34.1
73.02811	2.7
76.67355	1.9
81.03333	18.2
81.77551	1.6
83.04912	6.4
85.02827	2.4
92.09586	1.8
93.03335	2.0
94.26044	1.7
95.04905	20.4
97.02812	3.9
97.06467	8.1
102.05481	2.2
107.04912	4.3
108.02039	3.5
109.02840	3.4
109.06490	7.2
110.03631	7.3
111.04402	21.1
119.04932	5.9
121.02854	2.5
121.06491	7.2
123.04444	3.3
123.08036	15.8
125.05969	5.1
125.09618	56.3
125.10531	2.9
126.10011	2.0
127.11151	3.2
133.06503	10.2
135.04439	2.1
137.05983	7.2
139.07555	4.1
149.05994	7.5
151.07552	26.2
154.68709	1.9
163.11235	2.2
167.07050	36.3
169.08670	2.8
169.12292	2.3
171.10185	24.7
174.06760	2.3
178.24597	1.9
181.12370	2.0
185.11765	3.7
187.09689	5.8
197.11732	5.0
199.09569	4.3
201.11253	12.1
213.11267	15.4
215.12830	100.0
216.13225	4.6
222.11440	2.6
222.14964	4.9
247.13466	3.9
249.11334	14.9
250.12114	3.4
254.13922	3.5
259.17078	3.6
265.14432	14.5
277.18063	5.3
285.14981	28.9
286.15146	3.9
295.11792	2.3
303.16006	62.6
304.16431	5.6
314.93845	2.4
321.17157	31.9
322.17374	2.7
339.12372	2.9
339.18024	10.0
340.17722	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	339.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39433	0.2
61.59615	0.2
66.55421	0.2
69.37491	0.2
69.97395	0.7
69.97810	0.5
78.88320	0.2
89.61584	0.2
93.03339	7.7
94.03645	0.2
95.54426	0.2
119.04919	100.0
120.05260	3.0
122.03598	0.2
135.04411	0.4
137.05992	0.4
147.04416	2.3
151.99049	0.2
190.06563	0.2
204.07855	0.5
205.08614	0.4
217.08690	0.4
219.06725	0.3
219.10207	2.9
219.12157	0.3
265.08102	0.2
269.11765	0.3
316.70648	0.2
339.16025	4.5
340.16534	0.4
348.92639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45508	0.2
52.31767	0.2
65.03837	2.5
67.01758	0.3
68.19153	0.2
71.08392	0.2
71.36158	0.4
91.05412	14.9
92.05747	0.4
93.03342	2.9
101.57625	0.2
107.04931	0.2
107.82498	0.2
109.02842	13.1
110.03179	0.3
112.94074	0.2
119.04932	0.6
121.02847	10.6
122.03170	0.3
124.46705	0.2
133.06496	0.2
135.04419	100.0
136.04759	3.6
147.04417	7.9
148.04779	0.2
159.04419	3.7
173.20706	0.2
187.07651	0.3
191.10655	1.3
202.09906	1.4
217.12286	18.2
218.12622	1.1
339.16031	5.6
340.16364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54119	2.6
57.03321	9.5
59.01249	11.0
59.39573	2.9
66.74736	3.4
66.88879	2.6
69.03323	5.8
69.95222	14.1
71.01249	4.8
71.04896	26.1
72.99189	3.8
73.02821	5.8
81.03343	9.2
83.04919	15.0
85.02815	3.5
88.98669	4.4
93.03337	10.1
93.07034	3.3
95.04919	10.3
97.02842	11.1
97.06481	18.6
109.02854	5.9
109.06422	5.8
111.04410	48.5
111.08054	5.8
113.05920	3.9
119.04910	17.1
121.02835	8.2
121.06501	3.9
122.03594	3.6
123.04460	5.0
123.08061	15.6
125.05984	4.4
125.09619	96.3
126.09941	5.4
127.11192	2.8
133.02893	5.7
133.06442	3.6
135.04399	8.9
137.05986	9.7
139.07553	5.5
147.04440	3.1
148.39124	2.8
149.02287	3.8
149.05984	10.1
151.07571	5.3
151.11214	4.1
157.08766	3.5
159.04475	6.6
167.07045	19.7
169.08569	4.4
171.10185	43.8
173.02356	15.3
173.40076	3.1
175.03949	9.5
185.11798	10.7
187.09691	100.0
188.10027	5.7
198.03094	3.8
199.09821	4.4
201.11272	49.6
202.11507	3.2
215.13002	5.2
217.08707	8.8
219.10223	4.8
223.13301	9.1
232.63864	3.0
233.19009	4.8
237.11314	5.0
242.01982	6.1
243.02986	15.5
249.11208	6.6
257.14044	3.4
265.08698	5.1
265.14508	6.8
267.10889	3.5
277.18073	44.1
281.07974	3.4
283.63098	2.7
285.15109	4.9
303.16022	12.9
321.11398	4.7
321.17084	16.9
339.08908	31.2
339.12378	7.2
339.16037	12.8
339.18826	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	339.16
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20512	0.3
65.82811	0.3
66.21066	0.2
70.63026	0.6
72.87656	0.3
76.65089	0.3
93.03358	2.1
99.04433	0.3
108.02066	1.2
112.86035	0.3
119.04923	100.0
120.05251	3.5
121.02846	3.7
125.09649	0.3
147.04463	0.4
148.98466	0.3
149.02379	1.3
150.03172	1.3
161.05969	1.6
162.03113	1.6
163.03902	1.2
171.10229	0.3
175.03906	1.7
176.08354	3.7
179.07071	2.4
186.06693	0.3
189.09155	0.9
194.02155	0.4
203.07101	1.0
204.07864	10.0
205.08629	3.8
206.08955	0.3
208.07402	0.5
217.08656	5.1
218.09390	2.6
219.10228	50.3
220.10538	2.9
233.11758	2.3
245.11958	0.4
251.36832	0.3
281.08145	0.9
281.14896	0.3
324.13641	1.8
339.12372	0.7
339.16071	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63544	0.6
57.02514	0.8
67.67378	0.7
84.74825	0.7
93.03329	2.1
105.84563	0.7
108.02087	2.0
119.04916	100.0
120.05250	3.1
121.02855	2.8
149.02364	1.3
150.03159	1.7
161.05992	1.6
162.03111	2.4
163.03886	0.8
175.03891	2.2
176.08365	3.9
179.07100	2.2
189.05444	0.8
203.07030	0.9
204.07851	10.4
204.12004	0.7
205.08585	4.7
217.08589	3.4
218.09435	1.7
219.10219	48.6
220.10570	2.8
233.11859	1.7
244.27136	0.8
311.13083	0.7
311.17053	0.8
324.13538	2.1
339.16043	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	339.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22881	0.4
59.01253	0.6
65.03838	3.3
67.99382	0.4
70.01598	2.4
85.55808	0.4
89.03873	0.8
91.01809	0.6
91.05408	22.6
92.05765	0.9
93.03338	5.8
94.83237	0.4
107.04914	0.5
108.02039	4.7
109.02856	3.7
109.06454	3.7
113.69485	0.4
117.03339	2.4
118.68372	0.4
119.04917	38.7
119.94327	0.4
120.05261	1.6
121.02841	12.0
122.03631	13.3
123.04425	1.1
127.11152	0.7
133.02853	9.7
133.10127	0.9
135.04416	89.8
136.04779	3.6
137.09583	0.6
139.07553	1.0
147.04411	1.8
149.02380	0.5
150.03133	0.5
150.80170	0.5
155.10687	5.0
157.06490	1.5
159.08084	3.8
161.02353	100.0
162.02666	4.3
163.03824	0.5
164.77533	0.5
166.72189	0.4
171.10170	5.8
175.03889	0.8
175.07533	0.7
176.08360	1.5
177.09126	70.4
178.09483	3.7
179.07016	1.0
183.01167	1.7
187.07607	0.4
189.09105	0.4
193.10207	0.8
199.09659	0.9
203.07077	4.6
204.07849	4.2
205.08589	1.4
217.08681	2.4
217.10739	21.2
218.09311	0.6
219.10219	18.3
220.10539	1.2
221.08130	9.0
222.08528	0.8
229.08635	1.3
233.11696	0.6
238.06412	0.9
251.07214	0.8
265.04910	0.6
266.05692	0.5
277.04984	1.6
278.05869	0.6
295.09872	2.1
321.11316	12.9
322.11786	1.4
339.08679	0.7
339.12323	11.2
339.16217	2.7
340.12643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
65.03843	3.4
67.01742	0.7
70.01469	2.2
75.36137	0.5
78.94043	0.4
89.03857	0.8
91.05408	22.2
93.03321	4.2
94.03613	0.5
108.02065	4.9
109.02853	4.3
109.06467	4.0
117.03354	1.1
119.04920	30.8
120.05227	1.2
121.02850	10.5
122.03638	12.6
133.02859	9.1
133.10152	1.1
134.03658	0.5
135.04419	85.9
136.04753	2.9
139.07567	2.2
147.04376	0.8
147.77226	0.5
149.02319	0.6
150.03131	0.6
155.10680	4.9
157.06523	2.2
159.08067	2.6
159.59447	0.5
161.02359	100.0
162.02744	3.5
163.03899	0.6
171.10199	5.2
172.10532	0.5
176.08372	1.2
177.09131	68.6
178.09508	3.4
178.10768	0.6
179.07109	0.6
183.01118	1.3
199.09669	1.2
201.05397	0.6
201.55496	0.5
203.07088	5.4
204.07834	2.3
204.95526	0.6
205.08563	1.2
217.08704	1.5
217.10756	25.2
218.09360	0.8
218.11179	0.7
219.10201	15.9
220.10518	0.6
221.08136	8.9
228.12810	0.6
229.08632	1.4
237.14877	0.6
238.06387	0.9
243.08969	0.5
265.05212	0.6
266.05896	0.7
277.04944	1.8
295.09735	0.8
321.11316	13.2
322.11652	1.6
324.13428	0.5
339.08450	0.4
339.12384	11.2
339.16376	1.3
340.12762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.3
59.01247	0.7
65.03820	0.4
67.01743	0.3
69.03328	0.3
71.04890	4.6
81.03279	0.3
89.03870	0.4
91.05402	0.6
93.03342	1.1
95.01273	0.4
95.16625	0.3
97.02835	0.4
98.19819	0.5
107.04941	0.3
108.02045	0.6
108.58188	0.3
109.02831	4.8
109.06483	0.7
119.04915	100.0
120.05242	3.5
121.02849	6.5
122.03629	0.5
123.08031	0.4
125.02191	0.2
125.09624	0.7
134.03609	0.3
135.04420	2.0
135.08043	0.5
137.02364	0.5
137.05974	0.3
147.04405	0.8
149.02327	1.8
149.81718	0.2
150.03117	1.0
151.11142	0.5
152.11446	0.2
157.06508	0.5
157.10115	0.7
161.02341	1.9
162.03133	3.8
163.04005	1.2
167.10735	0.6
171.10181	9.9
172.10555	0.6
175.03946	0.9
175.07616	0.5
177.09131	1.1
177.61548	0.2
182.02238	0.4
185.05975	0.5
187.03922	0.5
189.09190	1.5
190.06296	0.8
191.07111	0.3
192.07909	0.4
193.08588	0.4
194.02101	1.5
197.02702	0.4
201.05492	0.3
201.09116	0.4
201.11403	0.3
203.07065	1.9
203.10732	0.5
204.07715	0.4
205.08640	9.3
213.05296	0.2
217.08656	10.0
218.09425	3.7
229.08696	2.0
230.09390	0.7
231.10220	1.0
249.14856	0.4
253.04994	0.5
259.16916	0.3
269.08350	0.6
281.07700	0.3
289.18069	0.4
295.13382	0.7
303.16351	0.5
306.18375	0.3
321.11331	1.0
321.17017	0.7
321.20593	4.7
322.20956	0.5
339.12341	30.7
340.12866	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	339.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89394	0.4
70.91618	1.0
74.51016	0.4
77.30153	0.5
85.38408	0.4
85.65102	0.4
89.87519	0.4
93.03344	0.8
93.69741	0.4
95.01268	0.6
97.02816	0.5
105.03345	26.2
106.03633	0.5
107.04942	0.5
108.02025	0.5
109.02790	0.4
117.03353	0.4
119.04916	100.0
120.05242	3.4
121.02827	1.4
122.03582	0.7
123.00751	0.4
123.04429	0.5
123.08025	0.6
123.10583	0.4
129.06995	0.4
135.04456	0.6
136.01573	3.0
136.15431	0.4
145.02840	1.0
146.54503	0.4
149.02336	10.7
154.17624	0.4
157.06488	7.0
158.06895	0.4
162.03110	1.9
163.03897	1.7
167.03413	16.3
171.10211	2.4
171.11459	0.4
175.04010	0.4
183.01163	1.2
194.02138	2.1
201.05511	4.2
209.50581	0.4
215.07024	0.6
219.06587	13.8
220.06895	0.7
223.07307	0.4
227.07135	0.8
237.07639	6.1
267.06619	2.3
268.07373	1.8
269.08194	8.9
270.08417	0.5
285.42072	0.4
289.18143	1.7
296.27377	0.4
307.18997	0.9
321.11234	5.2
321.20615	1.1
322.11594	0.8
339.12369	77.1
339.16031	4.0
340.08615	0.6
340.12668	8.4
340.16553	0.7
343.37195	0.4
349.49582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.072
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.05214	0.2
56.50680	0.3
59.01259	1.4
65.00194	1.4
65.03842	1.7
67.01759	1.0
68.99661	0.3
69.25041	0.7
69.25463	2.7
71.01236	0.3
80.02554	0.5
91.01770	54.3
92.02103	1.2
93.03320	0.4
108.02046	1.4
109.02835	14.5
113.02364	0.3
119.04936	1.9
121.02828	1.5
123.04373	0.5
125.09692	0.4
133.02843	1.2
135.00777	100.0
136.01039	2.9
137.02339	2.8
149.02357	1.7
153.01840	68.0
154.02179	2.4
161.02351	1.7
163.03848	0.7
171.10194	0.3
177.01903	1.3
189.01839	1.3
201.11296	1.0
216.39987	0.3
219.10248	0.5
279.05069	1.6
289.03415	0.3
297.06180	1.0
339.07196	22.8
340.07578	1.7
340.12677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1237
Annotation	(+)-Galbacin
Peak:m/z	Relative Intensity
57.03320	0.7
59.01248	1.7
69.78102	3.6
70.98262	0.5
81.03370	0.6
83.57658	0.5
85.02818	1.1
86.64523	0.5
89.31171	0.5
93.03333	0.7
108.02102	0.5
109.02724	0.6
109.06496	0.9
117.03384	1.2
119.04920	47.1
120.05251	1.8
121.02871	0.7
121.06383	0.5
125.09607	0.6
130.04193	2.6
133.02878	1.0
135.04434	1.0
143.36662	0.5
145.02899	1.3
145.06502	2.6
154.70131	0.5
157.06496	1.1
159.04417	1.0
159.08281	0.5
160.05244	0.6
161.02336	1.4
161.05899	0.6
173.05966	1.1
175.03885	0.7
175.07574	0.9
185.06012	0.9
187.03896	1.1
189.05461	2.0
191.06950	0.9
197.05965	1.0
199.04025	0.6
201.05531	1.4
203.07069	1.0
207.06606	2.0
219.06567	7.7
220.06836	0.6
225.05586	1.5
226.06299	0.8
227.06963	1.1
237.05415	0.7
237.07620	10.1
238.08095	0.7
239.07155	0.6
241.05002	3.3
247.13356	1.8
255.06618	1.0
265.14587	1.0
267.06610	0.9
269.04562	4.1
270.05353	7.7
271.06073	4.4
283.06186	3.6
284.06784	1.7
293.11789	0.6
295.06024	0.8
295.13388	0.8
296.06860	2.6
297.11871	0.5
305.55884	0.5
309.11389	1.0
311.12778	0.7
321.16959	0.9
324.10052	0.5
337.10992	0.7
339.12369	100.0
340.12723	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	339.0721
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.89391	0.3
59.01252	0.9
69.65768	2.2
70.26090	0.4
81.03345	0.5
88.19878	0.3
89.03854	1.9
93.03354	0.6
96.95882	0.6
98.20525	0.7
104.02585	0.7
105.03355	3.1
133.02852	10.0
148.01575	0.5
149.02350	0.9
176.01079	1.2
177.01855	100.0
178.02214	4.1
186.18854	0.3
275.45187	0.4
339.07199	7.1
340.07532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1656
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
53.06145	1.5
57.03325	3.4
58.87934	1.5
59.01244	6.4
68.47534	1.7
69.03306	3.1
71.01256	2.5
71.04905	9.3
71.58547	3.2
73.02821	3.1
81.03328	12.4
83.01260	5.8
83.04887	5.5
85.08923	1.8
87.04359	1.9
93.03326	3.8
94.32042	1.5
95.01257	3.9
95.04924	2.7
97.02853	2.7
97.06463	8.1
99.04382	1.8
107.04886	4.5
108.02045	13.0
109.02847	9.1
109.06462	4.6
110.03635	4.1
111.00783	2.4
111.04414	21.1
119.04916	2.2
121.02827	4.8
121.06454	6.0
122.03619	18.5
123.04398	5.9
123.08047	7.9
125.05960	3.4
125.09608	27.7
128.76419	1.7
131.04892	2.2
133.77765	1.6
134.03610	2.4
135.04401	8.0
136.05199	14.2
137.02357	2.5
137.05981	76.8
138.03056	3.0
139.07472	2.4
142.02641	5.2
147.04408	1.9
149.05992	18.7
151.03912	3.5
151.07567	3.4
153.09097	1.9
165.05495	6.6
166.06175	3.6
167.07050	100.0
168.07414	4.8
171.10196	7.6
173.31340	1.7
175.03908	5.1
185.11748	3.0
187.09666	10.8
194.05855	3.5
199.09673	31.8
203.10794	2.0
211.13260	2.7
213.11230	27.9
215.12912	9.1
221.11613	2.6
226.12076	2.8
231.17459	3.0
237.11203	5.0
237.14885	2.0
239.12827	3.0
253.10744	1.8
255.12431	2.5
257.15506	4.2
263.12845	5.8
265.10818	3.6
267.45291	2.0
275.16510	4.8
281.13849	6.5
283.13364	2.7
293.17654	3.2
301.14468	19.8
304.13602	2.0
314.11627	2.2
319.15503	24.8
320.15955	2.9
337.07285	3.7
337.10745	3.3
337.16565	65.6
338.17197	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	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94456	1.4
59.01252	100.0
60.68504	1.4
64.70775	1.7
69.37771	3.5
69.38171	11.7
72.03844	1.3
85.02832	6.8
86.27591	1.8
96.95888	2.1
102.51323	1.5
124.78388	1.3
168.35771	1.5
190.39641	1.9
191.01962	1.8
191.05565	3.2
237.20828	1.8
271.03430	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	337.1654
Annotation	18-Cooh-19,20-ltb4
Peak:m/z	Relative Intensity
53.64359	4.1
54.46476	4.4
57.03337	10.0
59.01254	30.6
65.00207	5.8
65.03838	6.0
69.03333	6.3
71.01253	5.7
71.04902	17.9
71.58531	7.5
73.02838	4.4
80.02580	6.3
81.03330	36.4
83.04903	15.5
89.14948	6.1
93.03354	17.6
93.30694	5.1
95.01271	10.4
95.04896	13.4
97.02822	13.1
97.06479	13.4
107.04890	11.3
108.02061	6.0
109.02860	6.2
109.06486	29.0
111.04406	42.3
113.05974	13.0
119.04903	9.8
121.06440	11.3
123.04442	7.5
123.08075	28.7
124.60326	5.4
125.09619	64.4
135.04433	20.9
137.06046	22.5
149.05980	49.6
149.09589	6.6
153.05405	7.0
161.09612	10.4
163.11090	5.0
165.05455	5.0
167.07036	40.3
171.10162	10.7
177.12794	29.1
185.11816	5.1
187.09663	50.8
191.05560	16.7
195.13885	9.6
199.09694	23.1
201.11197	23.0
221.11754	32.7
223.09529	5.5
237.14905	5.7
239.12854	100.0
263.12930	20.2
265.10757	13.3
268.03748	11.5
271.34421	4.6
275.16614	11.6
281.14108	5.5
293.17566	23.6
301.14453	16.5
309.11353	7.8
319.15512	37.4
337.10760	14.8
337.16568	63.3
337.20230	10.3
338.16925	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.17776	1.2
57.03297	1.1
59.01243	5.0
71.01258	2.8
71.37300	1.3
71.37649	1.3
85.02827	9.8
86.85448	1.1
87.00761	1.7
93.03347	6.0
93.05656	1.2
109.02840	1.7
111.04420	3.2
114.34716	1.1
119.04919	57.8
120.05238	2.1
125.02335	1.3
127.33527	1.3
127.42168	1.2
140.37779	1.1
145.02898	2.7
155.03418	3.3
163.03922	100.0
164.04243	3.5
165.01886	2.7
173.04495	6.5
175.95323	1.3
191.01903	3.1
191.05545	48.5
278.66391	1.4
337.09253	2.8
338.09424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60152	0.4
57.45475	0.4
59.01248	1.6
71.06912	1.4
86.98592	0.4
89.03869	2.5
91.01786	0.7
92.12769	0.5
103.42446	0.5
116.21667	0.5
119.04899	0.9
123.04413	0.9
132.02069	1.6
133.02859	25.7
135.04391	0.7
136.01544	1.4
143.04938	2.4
144.05684	1.0
145.02855	1.3
157.06480	3.0
159.08069	17.8
160.08347	1.3
175.07535	0.8
177.01817	0.7
177.09096	0.5
201.05479	0.8
203.07074	17.2
204.07451	0.6
221.08134	20.5
222.08478	1.0
225.14987	1.8
240.04201	0.9
254.05757	1.1
267.02792	0.6
268.03812	2.5
281.04514	1.8
282.05267	3.5
291.19998	0.6
293.04462	2.5
293.11774	0.7
337.10825	100.0
338.11179	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	337.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73112	4.4
69.73529	1.3
85.71825	0.7
89.03848	3.2
91.01794	1.2
107.04934	0.9
120.52489	0.8
123.04436	1.7
132.02098	1.6
133.02861	26.4
134.03120	1.4
135.04457	0.7
136.01567	1.1
143.04955	1.9
144.05684	1.8
145.02829	0.9
157.06525	5.0
159.08064	17.8
203.07089	22.3
221.06105	1.3
221.08156	15.6
240.04266	0.8
254.05907	1.5
268.03809	3.4
281.04495	1.4
282.05280	4.5
293.04617	1.7
337.10818	100.0
338.11188	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	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03312	0.3
59.01249	1.5
60.99176	0.4
67.01752	0.9
69.03336	0.4
69.89900	0.2
70.08890	0.8
71.01250	1.5
72.58181	0.2
73.02809	0.3
78.77042	0.2
81.03315	0.5
83.04900	0.4
85.02824	9.5
87.00754	3.4
93.03339	8.5
93.03925	0.5
94.03690	0.3
98.20518	0.3
99.00800	0.2
99.04391	0.4
104.33733	0.2
109.02864	0.5
111.04401	1.9
119.04923	3.5
127.03886	2.1
129.01833	0.5
137.02356	0.3
145.02878	1.3
155.03397	0.6
163.03922	3.3
171.02937	0.6
173.04469	2.7
174.04897	0.2
191.05542	100.0
192.05879	3.5
291.58694	0.2
337.09421	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	337.093
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
59.01262	4.6
65.74067	0.9
67.01771	4.0
71.01260	2.3
81.03370	1.2
83.04902	1.5
85.02827	7.2
87.00755	5.6
93.03344	23.9
111.04424	3.6
119.04935	13.8
120.05166	0.9
127.03917	2.2
129.01852	1.5
145.96346	1.0
155.03479	1.8
163.03925	14.5
173.04478	29.9
191.05545	100.0
192.05925	3.6
232.64586	0.9
316.99948	1.0
337.09500	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	337.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44656	0.7
55.01738	0.8
57.03320	1.4
59.01263	3.7
65.34163	0.7
68.99699	4.4
69.03307	0.8
69.34589	0.9
69.34991	6.4
69.43575	0.7
71.01266	3.9
75.00753	0.9
83.01266	2.1
85.02835	15.7
87.00755	2.4
95.01276	1.4
99.00770	5.0
101.02328	3.0
111.00771	2.5
113.02338	7.4
113.99483	18.9
115.00289	7.0
119.04928	7.8
120.05347	0.9
127.00245	3.6
129.01836	4.7
139.00162	0.7
143.85637	0.8
145.02867	2.1
147.02892	1.7
157.01329	4.7
163.03931	9.1
169.01320	1.6
174.01630	17.8
175.02412	1.7
182.48819	0.7
191.01962	5.4
277.05655	23.0
278.05890	1.0
337.07779	100.0
338.08096	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.4
57.03084	1.0
57.03324	11.0
59.01254	6.6
66.48022	0.6
69.31089	3.9
69.31519	3.3
71.01260	2.6
73.24796	0.6
83.01258	1.5
84.02032	3.5
85.02824	100.0
86.03169	2.1
87.00742	1.5
90.98483	1.7
93.03330	1.8
96.95879	4.9
97.02763	0.7
111.00760	1.7
117.03346	6.8
119.04913	23.7
120.05244	1.2
125.02314	1.3
129.01813	10.3
130.54906	0.8
136.17987	0.7
145.02856	41.4
146.03191	1.3
147.02901	15.2
147.04146	1.1
147.04372	0.7
149.06029	0.7
163.03912	16.9
177.05565	0.7
179.00122	1.2
187.07532	1.1
187.11555	2.8
191.01900	49.9
191.05557	2.9
192.02213	1.5
201.76485	0.7
203.07115	1.6
205.12624	1.3
231.06572	8.2
231.10445	1.1
275.13190	1.1
337.05713	2.6
337.13419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98786	1.2
55.01753	1.8
55.13880	0.9
57.03329	10.4
59.01249	7.8
59.31316	0.9
69.54579	0.9
71.01263	3.3
71.57916	1.7
72.12876	1.0
76.18436	0.9
83.01267	2.9
84.02036	2.5
85.02827	100.0
86.03159	1.5
89.10268	0.9
93.03344	2.4
95.04926	0.9
96.95890	4.1
101.02318	1.3
103.77537	0.9
103.89906	0.9
108.34459	1.0
111.00764	1.7
119.04917	23.9
129.01851	7.3
132.02153	1.3
135.04401	3.0
145.02890	2.1
147.02888	4.2
160.01588	5.9
161.02249	1.2
161.04485	1.2
163.03928	28.6
164.04309	1.1
173.00854	1.4
175.03929	9.3
191.01907	58.9
191.05510	12.3
192.02277	1.4
337.08191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.4
57.03322	12.4
59.01238	7.3
60.97037	0.8
68.22431	1.0
69.45407	3.7
69.45843	3.7
71.01260	2.8
77.27133	0.9
83.01268	2.9
84.02049	3.0
85.02825	100.0
86.03192	1.7
87.00745	1.3
93.03336	2.1
96.95892	5.2
100.85532	0.9
106.76328	0.9
111.00769	2.6
117.03365	1.0
119.04922	26.9
119.05739	1.8
125.02333	1.0
129.01840	8.7
132.02066	2.0
135.04382	2.1
145.02827	1.7
147.02873	2.0
160.01588	5.3
161.02336	1.5
163.03940	26.2
164.04277	1.1
175.03951	7.5
179.03423	1.2
191.01912	53.8
191.05499	11.2
192.02209	1.1
217.08446	0.9
275.34213	0.9
306.88077	1.0
327.71216	1.0
330.02176	1.0
337.08023	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	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68934	3.1
54.13559	3.6
57.03310	9.4
59.01248	31.3
69.65239	25.4
70.18591	3.2
70.63292	2.8
71.01254	9.2
85.02826	100.0
87.00748	5.5
89.02322	7.6
93.03323	19.4
94.96582	3.2
96.95885	8.0
98.19781	4.2
103.40175	3.1
116.06277	3.4
117.03419	3.4
119.04908	36.5
125.02387	3.9
129.01833	10.9
130.85655	3.4
145.02837	16.2
147.02910	14.4
153.01822	7.0
163.03926	40.0
169.87714	3.5
173.04468	8.3
174.02977	14.4
175.03403	16.3
175.96176	3.1
191.01894	41.9
191.03632	5.6
191.05534	86.5
243.07765	3.6
246.97438	3.0
260.21857	3.4
311.62302	3.5
337.08688	7.9
337.15012	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76315	3.7
57.03326	5.4
57.16989	3.3
59.01252	100.0
67.01765	4.4
69.03315	9.0
70.03938	17.6
71.01247	13.0
72.99186	10.6
79.01802	4.8
81.03331	7.2
83.01248	7.3
83.04897	4.5
85.02814	27.4
87.00762	7.8
89.02309	5.9
93.03342	15.9
95.01271	16.4
96.89116	3.5
96.95901	27.5
97.02834	14.6
98.20475	5.0
99.00751	8.0
99.26060	3.5
101.02331	10.5
109.02841	28.8
111.00761	31.4
111.04473	3.9
119.04900	10.0
121.02827	6.8
123.00765	16.4
123.04385	10.7
125.02345	73.6
126.02718	5.3
127.00266	18.8
133.06444	5.4
135.04448	7.8
137.02339	40.7
139.00269	26.7
139.03850	4.9
140.01050	8.8
141.01797	26.5
145.02907	4.1
147.04449	5.2
149.02347	8.5
149.05954	4.4
151.00226	7.7
151.03900	13.8
153.01831	58.9
154.99768	18.8
157.01382	3.5
161.02322	9.2
161.05989	7.0
163.02649	4.1
163.03934	16.7
165.01845	16.1
166.99876	4.1
167.03445	16.4
169.01324	18.3
173.04518	18.8
175.03963	9.9
176.41014	3.7
177.01851	17.8
179.03427	8.9
181.01410	8.6
183.02882	10.7
187.03905	5.8
189.05426	7.2
191.03610	6.8
191.05515	27.8
193.01329	8.4
193.05069	4.9
195.02872	5.2
201.05615	4.0
203.07068	11.9
215.03470	6.2
229.04961	8.3
233.04532	6.0
247.06192	5.7
257.04495	7.6
260.52994	4.2
272.74390	4.6
273.03995	6.8
275.05579	12.1
293.06943	3.9
301.03464	8.8
319.04608	20.6
337.05569	27.3
337.09064	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	336.124
Annotation	Sinomendine
Peak:m/z	Relative Intensity
59.01233	0.2
59.89484	0.2
60.35477	0.2
65.00201	0.3
71.07648	0.4
77.22813	0.2
78.31329	0.2
80.02549	1.6
86.65819	0.2
91.01785	1.3
92.02560	0.4
93.03349	1.0
93.11351	0.2
94.02864	15.5
95.01264	3.2
108.02053	34.2
109.02921	2.6
111.78969	0.2
123.00816	0.2
125.45389	0.2
125.65299	0.2
130.04141	4.4
132.02013	0.2
133.06499	2.7
143.04938	2.3
145.02859	0.3
149.05952	0.2
156.05721	2.2
157.02866	0.3
158.03644	0.8
159.04439	0.6
171.04433	2.8
172.05219	2.8
178.78180	0.2
183.04439	16.2
184.04776	0.7
185.02341	0.3
186.03204	0.2
199.03961	4.8
200.04726	100.0
201.05058	5.4
241.08665	8.3
242.08981	0.5
313.11722	0.2
336.12408	98.9
337.12827	9.4
337.16385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27497	4.2
69.27912	1.0
75.59834	0.4
80.02547	1.0
92.02549	0.5
93.03326	1.3
94.02870	2.6
95.01284	2.2
108.02052	20.6
124.28780	0.5
130.04170	2.7
143.04910	1.7
156.05734	2.1
158.03706	0.5
171.04419	1.7
172.05197	2.0
183.04430	11.1
184.04874	0.7
185.02548	0.6
185.26440	0.5
199.03983	3.4
200.04726	100.0
201.05060	4.9
209.51819	0.4
219.70148	0.4
241.08804	0.8
336.12415	66.9
337.12854	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	335.0927
Annotation	Crotafuran C
Peak:m/z	Relative Intensity
58.33221	0.3
70.19337	1.7
84.64087	0.3
86.83823	0.4
93.03371	0.6
95.04912	2.4
98.19856	0.5
109.88991	0.3
123.04418	9.8
124.04744	0.4
133.02853	100.0
134.03185	3.8
157.06499	6.9
157.07703	0.6
161.02364	2.1
191.07013	0.4
201.05504	8.8
207.03102	0.4
219.06577	4.7
241.34215	0.3
262.21390	0.3
265.04895	0.5
273.42813	0.3
335.09256	28.3
336.09537	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1289
Annotation	6'-Demethoxypraecansone B
Peak:m/z	Relative Intensity
57.04383	0.5
81.33665	0.5
82.57991	0.4
84.16407	0.5
88.09503	0.4
89.03872	0.4
93.03337	1.5
100.20422	0.5
117.03357	5.8
119.04919	30.9
120.05282	1.5
123.78751	0.5
124.42094	0.5
129.06999	0.7
133.06477	4.9
135.04390	0.6
143.04985	0.7
144.05762	0.5
145.02852	2.9
150.10280	0.4
154.07111	0.5
156.05695	0.7
157.05310	0.8
157.06508	7.6
159.04387	1.0
161.02351	1.6
171.04428	2.2
173.05984	0.7
174.06735	0.5
181.06580	0.5
184.05292	2.4
185.02335	0.7
185.05977	2.4
197.06012	0.6
198.03076	0.6
199.03928	1.3
201.05486	4.5
211.03932	1.3
212.04674	1.2
213.05539	2.2
214.06158	1.3
224.04692	0.6
227.07120	2.1
237.05545	2.2
246.05322	0.8
248.04747	1.1
249.05327	0.8
252.04344	0.7
261.09106	1.1
263.06702	0.5
265.05017	9.5
266.05505	0.6
275.10721	1.1
277.05057	5.8
277.08652	2.0
279.06555	0.8
287.07217	0.7
291.06619	4.9
291.10309	2.3
292.07074	0.6
292.10913	1.0
301.08804	1.3
303.10291	4.8
304.07346	1.3
305.08228	6.4
319.06003	0.8
319.09698	14.5
320.10437	8.0
335.12875	100.0
336.13217	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	333.207
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
59.01236	0.7
67.81477	0.5
71.01286	0.5
71.16049	0.7
71.16376	0.7
85.93980	0.6
121.06506	7.3
127.07512	0.7
135.04402	0.9
136.04121	0.8
136.05205	22.9
149.05992	100.0
150.06342	3.4
162.06750	1.2
183.13850	6.1
215.12979	1.0
300.17142	1.6
315.19608	4.0
318.18347	2.4
333.20709	82.4
334.21069	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47787	5.1
78.03401	1.0
80.04923	0.6
92.04932	1.9
94.06510	4.6
96.95896	0.8
103.56145	0.5
104.04927	3.3
105.03349	1.9
106.06510	13.2
107.03616	0.7
107.06895	0.8
108.04419	1.2
120.04443	4.8
121.05206	1.5
122.02337	0.7
122.06013	16.0
123.03173	2.3
124.07590	0.7
131.03647	0.8
132.04459	8.1
138.05507	25.4
139.05832	0.9
150.05547	2.5
166.05028	0.7
174.12840	0.9
188.07095	0.8
189.07967	1.0
189.78058	0.6
209.11861	1.4
213.06569	1.1
215.11784	1.3
217.07379	2.1
219.87115	0.5
226.07379	0.7
229.09860	0.9
241.09755	3.0
243.11317	1.8
259.10907	0.9
262.80634	0.5
271.10852	1.3
289.11954	100.0
290.12262	8.1
333.10834	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	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.5
62.58221	1.5
67.07322	1.6
69.25368	14.9
69.25778	4.1
69.88508	1.6
71.01261	2.6
72.99160	2.9
90.03371	1.8
90.75546	1.7
92.04936	7.4
98.20604	3.7
103.04144	3.1
104.04955	7.6
107.46322	1.6
110.02394	3.4
113.02296	2.5
118.02908	2.5
120.04478	2.9
122.06008	15.7
125.02336	2.0
138.05519	15.7
140.07048	12.7
148.03969	3.6
150.05528	2.7
154.06470	2.1
158.09607	2.2
166.04968	11.3
167.05809	2.3
168.06541	3.8
169.08946	3.1
172.07617	2.6
172.11153	8.2
180.63310	1.7
184.11230	16.3
186.05571	3.7
187.06317	2.2
188.07153	2.0
202.12299	9.7
211.05037	4.0
212.05936	5.6
214.08644	5.0
215.09468	5.2
216.06572	3.0
216.10291	10.5
217.07393	36.6
218.07684	2.7
225.06668	3.0
225.10477	1.8
226.07417	6.3
227.08186	2.9
231.08975	15.7
240.08936	2.4
241.06161	2.1
241.09811	26.8
242.06810	2.2
242.10181	2.2
243.11383	3.9
246.11319	71.9
247.11690	6.7
253.09802	12.7
255.07777	6.7
259.10858	17.3
271.10870	100.0
272.09280	6.8
272.11417	5.0
289.11963	15.9
315.09967	8.2
333.06406	5.2
333.10861	44.8
334.11197	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	333.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98391	0.6
63.87266	0.2
64.22711	0.3
71.01256	15.8
71.58099	0.2
71.58456	0.3
74.52534	0.2
75.48885	0.2
85.02833	0.9
99.04369	0.4
101.77406	0.2
125.09650	0.3
125.99249	3.4
135.78418	0.2
140.00841	0.3
141.09125	0.5
141.98775	0.3
153.98688	0.3
155.10628	0.3
165.01602	7.6
167.10753	0.3
193.04771	1.3
193.08360	2.0
194.05505	0.7
199.09723	0.3
207.06331	0.4
212.03006	0.4
221.07895	5.9
222.08688	100.0
223.09053	4.6
226.04593	0.4
236.10249	5.7
254.07701	10.0
255.08028	0.5
262.11838	0.4
303.19318	0.5
305.20868	0.4
315.19476	0.6
321.21033	0.2
333.20471	17.9
334.20758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27306	19.7
59.01245	27.5
71.57935	31.0
81.03359	23.0
83.01292	26.3
86.57954	18.6
91.00947	20.1
93.03326	20.1
96.79918	19.8
107.01287	29.1
109.02834	36.3
122.05257	27.0
125.02338	59.4
135.04437	19.3
137.02342	95.3
151.00302	47.0
151.03935	25.5
178.99797	30.2
179.03357	21.1
217.04990	44.1
221.04597	38.5
245.04559	100.0
247.02519	28.6
275.57736	29.3
289.03598	85.9
333.19073	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.22285	1.3
71.06651	4.2
78.66054	1.4
81.03310	1.6
88.24679	1.4
95.55567	1.3
97.02850	2.0
120.77324	1.5
123.00806	3.5
124.01566	13.0
125.02345	80.1
126.02681	2.2
149.99503	28.9
151.00261	2.9
151.60179	1.4
153.01839	1.4
168.00560	90.3
169.01305	13.1
181.36391	1.5
255.48117	1.7
313.05508	10.5
331.06717	100.0
332.07162	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	331.189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16478	0.3
55.11264	0.4
57.03313	0.4
59.01256	0.4
59.98391	0.9
69.03328	0.8
70.03902	0.4
71.01254	20.1
71.39029	0.5
71.98180	0.4
72.01602	0.5
85.02822	0.9
97.02825	1.5
111.34431	0.4
113.08081	0.4
116.56698	0.3
123.07216	0.4
123.08065	0.4
125.09614	1.6
125.99234	3.6
127.07590	0.5
130.58562	0.4
130.88408	0.4
136.38474	0.3
137.09584	0.6
141.09119	8.0
142.09447	0.6
143.10648	0.9
147.08188	0.6
155.06905	0.3
155.10703	0.7
165.01610	9.4
165.05293	0.5
165.08948	1.6
171.10229	0.7
178.98891	0.4
179.06842	0.5
180.03944	0.6
181.08380	3.9
183.09923	3.4
191.06845	0.9
193.04730	1.3
193.08392	18.6
194.05536	1.3
194.08699	0.7
195.06351	0.4
197.07860	0.7
205.08472	0.8
207.10004	0.7
209.07901	7.8
221.07910	6.7
222.08688	100.0
223.09451	52.4
224.09784	1.9
225.07455	1.9
227.08989	3.4
237.11089	0.6
241.06725	0.5
242.07652	0.5
245.19110	0.7
248.10332	0.9
254.07693	10.0
261.11105	2.1
262.11856	3.7
267.08347	0.8
301.17868	1.1
303.19424	2.3
313.17868	3.7
314.18091	0.4
331.18909	23.1
332.19257	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	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.62897	0.6
57.03310	2.8
58.24694	0.6
69.88867	4.0
99.08042	8.5
121.10202	0.8
125.09602	1.9
127.11178	5.9
137.09653	1.5
139.11185	17.3
148.22179	0.6
155.10735	1.1
157.12254	2.0
167.14345	1.1
171.10184	34.5
172.10538	1.0
173.46957	0.7
183.13803	3.0
186.48158	0.7
193.12369	1.4
201.11278	0.9
203.76399	0.7
209.11731	1.0
211.13342	22.2
212.13635	0.8
223.98729	0.7
229.14417	11.8
293.21234	0.9
311.22299	1.3
329.23325	100.0
330.23654	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	330.1196
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
54.24163	1.0
59.01251	6.8
66.79913	1.1
70.41158	4.1
71.01260	6.5
72.60056	1.0
75.47198	1.0
77.68198	1.0
85.02824	2.2
85.99978	2.9
87.00753	16.5
89.02306	2.4
99.00748	1.2
101.02332	3.5
108.04460	1.8
108.20197	1.0
112.88166	1.0
113.02335	3.2
117.01803	1.1
119.03374	1.3
121.05180	1.7
122.06018	39.6
124.03822	1.2
125.02361	1.5
129.01845	1.7
134.05986	4.3
135.03232	1.5
136.03966	2.6
136.07585	17.1
138.05554	1.8
143.90311	1.0
146.98500	1.0
149.04749	1.3
150.05516	100.0
151.05865	3.0
152.07092	7.5
161.04765	1.6
162.05522	2.9
164.07106	3.1
165.73509	1.1
169.01366	3.6
174.05559	1.6
175.06258	5.3
176.07071	7.0
192.06621	1.9
194.08134	4.1
203.20891	1.2
204.06587	2.4
216.53035	1.2
221.64557	1.1
222.07664	4.4
232.72620	1.1
252.08676	2.9
312.10867	47.4
313.11209	3.1
330.11899	22.5
331.12524	1.6
331.75781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.20181	0.9
69.03316	3.4
71.01232	0.9
71.56447	1.6
73.14213	0.9
81.03338	1.6
83.01237	1.2
89.64037	0.9
95.01253	1.2
97.02824	3.0
97.07143	1.0
107.01280	2.2
120.33802	0.9
123.00742	3.8
124.01552	19.4
125.02333	84.0
126.02693	2.7
140.45070	0.9
143.11577	0.8
149.99487	31.4
151.00270	4.6
155.08395	0.8
167.03383	1.7
168.00551	69.7
169.01318	27.3
169.04906	1.0
170.01698	1.2
179.84555	0.9
211.02336	1.0
313.05661	8.2
331.06686	100.0
332.06934	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	329.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21411	0.6
54.99330	0.6
59.01252	100.0
60.01569	0.9
67.72495	0.6
68.63626	0.5
69.51366	0.6
69.69784	1.4
69.70193	3.5
102.09184	0.6
177.62259	0.6
207.13895	1.3
209.11763	2.8
217.96600	0.6
225.14909	71.3
226.15280	5.4
248.30130	0.6
251.12993	0.6
269.13943	13.7
270.14423	0.8
280.46725	0.8
297.16910	0.6
329.16284	3.1
329.23370	1.0
352.98770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
58.00459	2.0
59.01244	2.9
65.14625	0.4
72.99153	0.7
84.22849	0.5
96.12698	0.5
97.06472	1.0
98.19757	1.1
99.07446	0.8
99.08043	8.9
127.07537	1.3
129.09116	6.7
139.11206	1.0
146.18578	0.5
169.12274	4.1
171.10170	1.2
181.12263	5.1
183.13770	1.0
193.12265	1.9
195.46739	0.6
197.11766	3.1
198.12210	0.6
199.13344	19.2
211.13347	14.5
212.13672	0.9
213.13914	2.5
229.14368	2.0
236.63945	0.5
275.20038	0.7
285.16052	0.8
293.21280	3.6
311.19235	0.5
311.22333	3.1
315.51654	0.5
329.23322	100.0
330.23657	7.7
347.47012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1145
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
50.09978	0.9
59.01238	3.1
69.79270	7.0
82.02860	12.9
93.03345	1.0
94.02892	1.4
106.06514	11.0
110.02328	1.6
122.06004	3.6
132.04453	36.8
133.05211	1.9
134.04997	2.3
134.06017	45.3
135.04381	1.9
135.06355	2.2
136.03909	3.5
136.60268	1.0
148.03893	1.9
149.04742	5.1
160.03946	26.5
160.05090	1.1
161.04744	38.3
162.05521	99.0
163.05838	4.4
173.04668	1.6
176.03468	5.5
189.04265	1.1
193.03743	68.1
194.04152	5.1
206.04495	1.4
212.07164	10.9
213.07803	4.8
214.08611	5.8
226.08717	2.6
227.08272	1.1
240.10335	2.0
241.06166	9.7
242.11803	6.8
243.11273	6.9
254.06873	1.4
255.07780	1.5
257.09290	14.3
268.09717	3.1
269.09232	9.1
285.12451	97.5
286.12793	9.5
311.10373	10.7
312.10660	1.5
329.11389	100.0
330.11691	9.5
352.66217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76934	2.9
59.01250	100.0
63.96109	5.6
70.78976	2.4
71.01251	8.4
71.32897	2.6
71.57261	2.6
72.99169	2.6
73.02823	3.0
74.98964	24.5
76.04224	2.4
87.00755	2.5
87.14381	2.6
101.02317	3.2
113.02336	3.4
117.97186	3.2
122.06017	3.2
123.04388	4.5
134.06073	3.5
135.98268	18.9
136.99010	3.9
137.38310	3.2
160.01534	7.5
161.04527	4.2
162.05481	5.8
167.03456	18.1
175.04005	4.6
183.30664	2.7
192.99580	17.7
208.01907	3.8
209.02753	12.2
209.11754	3.5
217.29004	3.1
239.28610	2.7
241.05392	20.7
269.10114	3.6
272.29535	3.4
285.12494	5.3
285.87280	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.3
62.75004	1.0
65.03831	1.2
69.27781	6.6
69.28204	4.6
72.33968	1.0
73.05978	0.9
84.81415	1.2
86.17240	1.1
93.03340	37.2
93.03920	2.2
96.18591	0.9
99.08067	2.0
108.02075	2.8
119.04919	20.6
121.02849	79.1
123.04436	4.9
127.11230	1.1
131.04912	2.1
133.02847	1.5
134.03651	1.4
135.04428	7.5
136.05234	1.9
137.02341	2.5
137.05994	1.7
138.03136	4.1
139.03918	7.3
139.11185	4.6
147.04417	13.4
148.01541	1.8
149.02354	22.7
150.03114	3.9
151.03922	20.7
159.04417	3.1
161.02357	2.0
162.03188	2.0
163.03934	8.5
164.01079	1.3
164.04709	12.5
165.01901	2.3
165.05440	2.3
166.02684	2.2
167.03482	1.1
171.10201	13.7
173.02402	1.1
174.03186	1.3
175.03935	18.1
176.01091	7.9
177.01857	100.0
178.02399	3.9
179.03435	14.8
182.02129	1.4
191.03445	9.0
192.04221	13.1
193.04980	3.6
196.03899	1.4
203.03448	3.7
207.06593	9.9
207.69518	1.1
211.13321	5.9
220.03754	12.5
224.08620	1.3
229.14452	2.6
235.06070	9.8
237.49513	1.0
239.07056	2.1
240.07799	2.6
251.07202	3.6
267.06696	2.2
268.07379	7.8
271.06223	1.6
279.06622	3.6
283.09811	3.1
296.06915	24.1
297.07605	3.2
301.10791	1.5
311.09244	12.3
314.07941	19.3
315.08179	1.4
329.10361	15.9
329.23340	31.6
329.27173	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	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23893	0.8
56.90815	0.8
59.01238	2.2
59.43938	0.8
67.64545	0.8
69.41608	1.0
71.01257	4.9
71.34939	2.1
73.02810	2.8
85.02828	2.5
85.56192	0.9
87.02695	1.1
90.79168	0.8
92.92884	0.8
99.00761	1.4
101.02319	4.0
108.02050	2.2
109.02815	3.2
113.02333	3.0
121.02808	1.8
121.06440	1.1
122.03631	100.0
123.04504	8.5
137.02304	1.5
159.02975	1.4
161.04466	5.2
165.04175	1.0
165.05487	5.3
166.30655	0.8
233.40797	0.9
329.08981	1.4
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
59.01246	3.9
61.70393	1.1
69.56017	1.0
71.01265	1.3
71.56916	1.1
71.57371	1.3
81.03330	7.8
83.01263	5.8
85.02814	1.1
93.03310	2.0
95.04900	9.8
97.02843	2.5
99.04395	4.0
111.04376	1.5
121.02786	1.8
122.03614	2.6
123.00851	1.5
123.04424	17.7
125.02330	12.4
137.02338	2.4
137.05997	14.3
139.03894	2.5
149.02364	1.6
151.00287	1.5
155.03360	1.4
165.05453	3.9
166.28606	1.1
167.03416	47.8
168.03787	1.9
168.60968	1.1
171.52284	1.0
179.03432	5.2
181.04991	2.4
191.05518	3.1
197.04541	1.9
209.04503	100.0
210.04782	3.7
221.04546	2.1
239.05592	21.1
329.08783	25.7
330.09024	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.07957	0.3
57.03317	0.6
59.01244	2.0
64.10278	0.3
65.00204	0.4
68.43972	0.3
69.03295	0.3
69.63344	2.1
71.01257	0.8
76.36787	0.3
81.03338	4.7
81.89549	0.3
83.01254	2.4
93.03334	0.4
95.04913	1.2
97.02860	0.8
99.04372	0.3
101.02290	0.4
107.01273	0.5
109.02846	0.6
121.02861	0.5
123.04413	36.3
124.04748	1.3
125.02345	4.4
131.01314	0.5
135.04393	0.9
137.02357	1.2
137.05984	0.4
139.03918	0.8
149.02356	1.2
149.58441	0.3
151.00288	1.7
151.03903	1.1
163.03911	1.3
166.02600	0.4
167.03415	100.0
168.03758	3.9
175.00307	1.6
179.03400	1.3
180.04150	0.6
180.31065	0.3
181.05026	3.3
191.03429	24.4
192.03773	1.2
193.04906	0.4
209.04491	9.4
209.11737	0.4
221.04495	2.4
233.04582	0.6
239.05815	0.3
269.06476	0.4
329.02475	0.3
329.08716	3.1
334.93976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97915	9.1
59.01250	11.5
63.96108	17.6
69.38693	8.9
69.39104	27.7
71.01246	5.9
72.99187	14.5
73.98192	5.9
74.98975	68.3
87.00782	9.0
96.95876	5.3
117.97187	12.1
122.06056	5.5
123.00794	4.7
123.04436	5.1
132.02034	5.2
135.98265	70.0
136.99052	22.0
138.03130	5.3
149.02379	6.4
160.01591	27.6
161.02388	9.5
162.05513	8.6
167.03462	8.3
175.03935	26.3
177.01825	4.3
177.05511	5.3
192.04291	4.1
192.99580	58.3
194.00319	8.4
208.01862	18.7
209.02718	45.8
223.04265	8.9
241.05365	100.0
242.05582	5.6
265.08017	4.1
273.51334	4.4
285.12503	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.26808	1.2
53.37424	1.3
55.01752	1.4
57.03318	3.2
58.00443	1.4
59.97547	1.2
69.08981	1.3
70.70413	4.4
71.01257	1.9
71.04900	3.6
80.02545	3.0
84.02042	23.4
85.02844	2.0
97.06412	1.1
98.19728	1.3
99.08024	2.8
105.94218	1.2
113.09604	6.2
125.09610	5.7
125.27155	1.8
127.11178	10.9
130.13533	1.2
135.08095	1.7
137.09630	28.9
138.09854	1.5
145.09628	1.3
145.73123	1.2
148.42934	1.2
149.26897	1.2
153.09181	1.9
155.10692	50.6
156.11055	1.5
171.10188	100.0
172.10529	4.0
183.01210	1.7
191.54317	1.5
201.11264	25.2
211.13345	2.6
213.11278	14.9
214.11667	1.9
221.11821	1.7
291.19708	3.5
309.20755	4.8
327.16232	2.9
327.21826	44.0
328.22128	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	328.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.9
59.01258	4.4
65.99723	9.8
69.57073	28.7
82.51257	3.2
83.01265	8.8
93.03319	6.0
95.05807	3.3
96.95905	4.2
97.02808	4.3
98.28383	3.7
105.19727	3.6
107.04933	4.8
108.02068	7.8
109.02856	40.0
110.06908	4.1
111.04465	3.7
120.05525	3.0
121.02836	9.4
122.03624	5.4
123.04460	21.9
125.02335	32.2
126.02653	3.4
132.04491	4.8
135.04414	11.9
137.02347	62.7
139.03897	15.9
145.02887	6.3
147.04449	4.1
148.03931	15.3
149.02365	25.0
150.03145	8.2
151.03938	21.8
159.04413	6.3
160.03960	6.6
161.02361	10.6
163.03912	15.5
164.01097	12.5
164.03392	5.4
165.01819	19.6
166.04980	3.9
167.03427	8.9
167.68423	3.3
172.03960	11.8
175.03958	7.3
176.01100	5.1
176.03391	4.5
177.01825	5.4
178.02626	8.1
179.03413	16.2
190.05005	6.8
191.03441	8.9
191.05566	3.8
197.06026	4.5
200.66608	3.2
213.05496	9.4
215.07056	51.6
218.04639	3.8
233.08272	12.1
235.98341	3.5
257.08121	17.3
259.06049	10.4
284.09299	7.1
301.07178	43.0
310.07263	8.3
328.08212	100.0
329.08670	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	327.2174
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.44719	1.0
57.03325	11.2
58.00462	2.0
58.44144	1.1
59.01252	1.3
64.22212	0.9
67.19735	0.9
73.02831	1.3
75.76442	1.0
87.04370	1.7
88.59361	1.4
97.06439	1.4
112.36031	1.2
113.09612	26.6
123.08045	2.4
125.06010	1.3
125.09623	12.8
127.11191	13.4
137.09639	3.1
139.11171	2.2
141.09111	2.9
151.11227	3.7
155.10719	5.4
157.12286	1.2
164.04585	1.0
165.09125	4.2
167.10667	1.5
169.12160	1.3
171.10184	8.9
183.10251	2.0
195.10216	3.8
199.09682	3.6
201.11263	94.5
202.11595	4.2
213.11272	52.9
214.11552	1.9
247.20679	1.2
249.27861	1.5
253.59053	1.2
291.19662	8.8
292.20197	1.2
309.20642	17.2
310.21042	2.0
327.21759	100.0
328.22079	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03320	5.6
57.19345	0.6
59.01249	1.0
66.90866	0.6
67.93410	0.5
69.03326	4.0
69.72084	0.6
69.72553	1.2
69.72981	2.7
71.01259	1.4
73.02806	0.7
75.63948	0.5
83.04893	1.2
84.02015	0.9
85.02827	13.3
85.93886	0.6
94.06558	0.5
95.04891	0.9
97.02826	2.0
97.06498	4.1
98.19857	0.8
98.94263	0.5
110.03649	0.5
119.08543	1.0
121.06562	0.7
123.08014	0.7
125.09593	2.4
127.11178	2.3
135.07965	0.6
137.09595	2.8
155.10674	0.6
165.12714	0.8
171.10181	32.0
172.10542	1.4
177.12672	1.1
181.12477	0.6
183.13808	4.9
184.91769	0.6
185.11703	1.8
193.12227	1.7
197.11771	1.2
201.11272	1.1
209.11873	1.2
211.13333	21.0
212.13663	1.6
221.11748	2.5
229.14386	12.5
230.14563	0.8
239.12900	1.6
247.20714	0.6
291.19751	2.7
309.20764	1.4
327.21759	100.0
328.22116	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	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.52818	1.6
57.03318	6.1
58.00483	1.9
68.56419	1.7
69.03336	2.8
70.55607	1.7
71.40219	1.6
85.02830	4.0
95.04926	2.3
97.06477	12.5
100.54586	1.6
119.04913	2.2
123.08061	7.6
125.09618	100.0
126.09969	3.3
127.11179	7.9
134.88815	1.9
135.04494	2.1
139.11214	7.2
143.10681	88.8
144.11015	3.3
153.12799	2.3
155.10672	5.3
157.12228	3.6
165.09200	2.9
171.10175	22.5
183.10136	2.0
185.11790	4.0
187.09668	13.9
197.11813	3.0
199.00670	3.9
201.11256	82.2
202.11594	4.5
211.13362	7.0
212.69899	2.2
213.11302	4.9
227.12796	3.9
229.14366	4.7
229.49632	2.3
265.21658	8.3
266.53253	2.1
269.21307	2.5
271.05524	1.7
291.19672	6.3
299.22266	10.9
304.82959	1.9
309.20761	24.7
310.20944	2.6
327.16217	5.9
327.21780	54.2
328.22055	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	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.54206	1.1
54.93858	0.9
57.03329	10.2
58.00465	2.6
59.01252	1.5
65.59293	1.2
68.53069	1.0
71.01221	1.0
71.54082	1.5
71.54432	1.1
85.02820	1.3
106.72863	1.2
113.09615	23.0
123.08064	1.6
125.09642	12.2
127.11182	12.5
128.11601	1.1
129.38136	1.1
137.09570	2.9
139.11195	2.1
141.09099	2.9
151.11244	2.6
153.09091	1.3
155.10626	4.9
165.09111	4.2
167.10689	1.7
171.10211	13.3
183.10146	2.0
185.11798	1.3
195.10141	3.1
199.09735	3.1
201.11270	82.1
202.11621	4.3
211.13297	1.2
213.11266	48.8
214.11589	2.2
218.56012	1.0
227.12888	1.4
247.20816	1.3
291.19730	7.9
309.17307	1.9
309.20700	14.6
327.21765	100.0
328.22116	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.20456	0.8
54.19160	0.9
54.46764	0.9
57.03324	4.8
60.62769	0.9
71.04910	0.9
73.02824	4.1
74.29124	1.2
75.64247	0.8
83.04903	1.3
85.02822	2.3
95.04896	1.2
97.06465	10.8
98.20560	2.2
109.02811	2.1
117.17913	0.9
121.02892	0.9
123.08060	9.3
125.09619	100.0
126.09961	4.1
127.11166	7.7
135.04399	1.5
137.09604	3.2
139.11198	1.1
143.10683	93.9
144.11031	3.2
155.10730	6.0
157.12254	5.8
160.76074	0.9
165.09111	3.4
169.08647	2.9
171.10188	38.1
172.10532	2.0
183.10176	1.6
183.13933	1.0
187.09689	12.8
199.09691	2.1
201.11263	75.4
202.11662	3.1
211.13347	3.0
213.11284	1.6
229.14430	1.9
265.21710	7.5
269.21255	2.1
291.19766	2.4
299.22296	12.1
309.20700	22.9
310.21033	2.2
327.16174	8.2
327.21768	31.2
328.22156	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	327.1084
Annotation	Paeonoside
Peak:m/z	Relative Intensity
53.66544	0.6
53.66820	0.6
59.01250	17.4
71.01237	1.4
81.38537	0.6
85.02824	1.5
89.02314	0.7
93.03342	6.6
96.95889	0.9
98.19814	1.1
101.02328	1.1
102.09749	0.7
108.02058	0.7
113.02294	0.6
119.04965	1.4
120.65508	0.6
121.06479	6.9
137.02365	1.4
147.04317	0.7
150.03116	2.8
165.05490	100.0
166.05826	4.0
177.01857	0.7
229.19440	0.7
317.62222	0.7
319.76788	0.7
327.07245	1.2
327.10947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03316	1.0
58.00469	2.2
59.01256	2.9
63.34555	0.5
69.03340	1.3
71.01289	0.7
71.58858	0.8
72.99163	0.6
73.02836	0.5
74.41290	0.6
76.31405	0.5
83.04874	0.6
85.02837	1.3
93.03324	0.5
95.06402	0.4
97.02864	0.5
97.06451	2.5
99.08031	0.8
109.06471	0.7
111.08044	9.2
122.03607	0.9
125.09647	1.5
127.07516	1.7
127.11195	0.9
133.06554	0.5
133.24078	0.5
137.09613	2.0
138.27829	0.4
141.15414	0.5
147.08057	0.8
151.11276	0.5
153.12804	0.7
155.10706	0.6
169.12265	5.5
170.74661	0.5
171.10194	7.3
175.07529	1.1
179.10606	0.5
181.12263	1.9
183.13811	1.0
185.11763	1.4
189.09111	1.2
193.12231	0.6
197.02838	0.5
197.11769	45.5
198.12111	1.8
199.13344	7.7
201.11267	3.9
201.81319	0.6
206.09427	1.6
211.13364	6.1
212.13638	0.6
221.11794	1.1
227.12924	1.2
229.14421	1.8
281.11926	0.5
291.19769	3.9
309.20670	4.0
312.13675	5.8
327.21756	100.0
328.18542	0.5
328.22162	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.6
59.01256	100.0
69.03323	2.5
69.30473	20.7
69.30878	3.7
70.46986	2.3
71.00900	2.8
71.01261	37.0
72.99189	2.4
73.02441	3.7
73.02824	52.5
81.03307	3.5
83.01259	21.2
85.02812	5.0
89.02315	6.2
90.27627	2.3
93.03310	3.5
97.02853	3.4
97.23760	2.4
98.20577	4.9
101.02321	44.5
109.02840	23.6
113.02331	13.7
119.03362	3.4
121.02866	7.3
122.03593	3.0
123.04389	11.7
125.02359	22.4
125.58434	2.4
131.03416	2.1
132.04424	2.3
135.04404	8.2
137.02351	26.2
139.03868	7.3
143.03435	2.5
145.02859	4.8
147.04399	4.9
148.03951	8.0
149.02361	13.9
149.04466	4.0
150.03064	3.2
151.03870	7.9
155.03348	4.3
160.03943	5.5
161.02309	7.1
161.04503	8.7
162.03174	2.7
163.03859	5.7
164.01071	7.0
164.03355	3.7
165.01840	14.8
172.03951	8.7
175.03912	6.0
177.01834	5.2
178.02570	3.1
179.03404	12.5
190.05040	6.8
203.07083	3.5
205.05083	5.1
213.05495	3.8
215.07088	29.5
233.08038	6.1
245.08167	4.2
257.08173	11.1
259.06088	4.7
284.09283	6.4
289.07123	17.2
301.07199	21.7
310.07294	6.3
328.08286	55.1
330.37540	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	326.161
Annotation	Cropodine
Peak:m/z	Relative Intensity
50.62857	1.2
52.56661	0.9
53.38445	0.9
56.74083	0.8
57.03304	1.2
59.01242	2.2
61.45845	0.9
62.82046	0.9
69.27841	11.2
71.01240	1.1
81.13190	0.8
82.02867	1.4
83.60316	1.0
84.04435	7.9
96.00811	4.8
96.04440	2.3
96.59696	0.9
97.01566	2.9
97.02803	2.1
98.02355	4.1
100.03918	3.4
100.56885	0.9
102.05488	29.2
107.04935	1.7
123.04407	1.3
123.08067	2.6
125.02354	4.9
132.30838	0.9
135.11699	1.4
136.05231	1.7
140.03438	2.3
149.05933	1.9
151.03984	0.9
151.11192	3.0
161.09616	1.8
169.12270	12.2
178.12289	2.6
179.10718	11.9
183.05316	10.3
185.11740	3.9
191.07074	5.4
195.10188	2.3
196.13383	1.5
197.11870	1.6
197.75992	1.1
204.10213	2.2
207.10312	1.9
213.11348	5.7
222.11310	24.5
223.09705	26.0
223.11827	1.4
224.10049	1.3
240.12392	67.2
241.10594	1.5
241.12724	4.1
246.49020	1.0
257.41159	1.0
264.16080	2.1
282.17136	1.1
308.15375	4.4
326.16080	100.0
327.12396	7.0
327.16400	7.9
327.22009	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	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01251	0.9
59.68900	0.3
77.45615	0.5
79.95619	0.9
97.06488	0.4
98.61041	0.4
109.02905	0.4
111.08016	0.8
119.04906	2.1
125.09557	1.0
135.04414	1.5
137.09595	0.5
139.11165	1.4
167.10709	5.9
169.12297	0.4
170.00410	0.6
181.12216	0.7
182.99487	0.8
183.01143	20.2
184.01753	1.8
197.02719	32.9
198.03442	3.4
201.11336	0.9
211.04288	1.5
213.11295	0.6
216.00888	1.0
225.05916	0.7
227.12785	0.8
230.02538	4.6
249.22163	0.4
249.71698	0.3
253.08757	0.5
265.21637	1.0
293.17996	0.8
293.21228	14.4
294.21576	1.1
307.19141	1.2
307.22647	0.5
310.21729	0.4
325.18411	100.0
325.23734	13.0
326.18744	9.1
326.24344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01247	1.8
69.47193	2.6
69.47601	0.8
71.01266	0.4
79.95588	0.8
83.04891	0.4
83.72385	0.4
89.54021	0.4
97.06481	0.5
113.09582	0.5
119.04931	2.5
121.02854	0.6
121.10101	1.4
123.08071	0.5
124.42928	0.4
125.09587	1.7
127.11166	0.7
135.04402	1.8
137.09608	1.6
139.10138	0.8
139.11188	14.4
149.09683	0.6
151.11176	1.2
153.09125	0.5
153.12735	0.5
163.04005	0.5
165.12738	0.5
170.00377	0.6
171.10191	10.7
177.12740	3.2
179.14340	0.5
183.01141	15.6
183.10161	1.5
184.01819	1.5
197.02711	36.7
198.03429	4.3
201.11270	1.1
211.04233	1.6
213.11342	0.6
230.02490	5.5
239.07471	0.5
243.19644	0.6
244.04041	0.6
249.22052	0.4
253.08949	0.7
275.20227	3.0
291.19547	1.3
293.21271	4.9
294.21674	0.6
307.19119	1.5
307.22775	6.6
308.23206	0.5
325.18381	100.0
325.23813	23.8
326.14758	0.7
326.18698	9.8
326.24356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13980	1.0
57.03330	5.6
58.00480	1.6
59.01242	2.5
61.88192	1.1
62.32762	1.0
70.71072	2.3
71.01275	1.8
73.02824	9.1
82.27476	1.0
83.04913	1.5
88.53284	1.0
95.04923	2.3
97.06464	13.4
98.95848	1.1
103.79791	1.0
105.46409	0.9
121.06564	1.0
123.08038	11.5
125.09617	100.0
126.09934	3.5
127.11181	4.7
137.09636	2.6
139.11153	1.5
141.09119	78.7
142.09464	3.2
153.09140	1.3
155.10658	5.3
162.54353	1.2
165.09087	1.7
169.08603	2.1
171.10187	7.3
183.10146	1.7
183.13747	1.4
187.09680	13.3
199.09668	2.2
199.13264	1.9
201.11266	67.6
202.11594	2.5
215.12901	1.2
227.12840	6.3
229.14360	1.9
263.20169	9.2
264.20596	1.3
267.19638	2.1
281.21103	1.4
289.18121	2.4
297.20718	11.9
307.19116	18.3
325.10666	1.6
325.20178	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
59.01266	0.5
65.64023	0.4
65.92772	0.4
71.04884	1.5
71.38216	0.5
71.38558	0.9
72.27164	0.4
79.95637	0.9
93.03320	0.7
97.06479	0.6
110.03645	0.4
111.08044	1.1
113.09628	1.0
115.07541	0.5
119.04901	3.0
125.09618	2.7
127.11150	0.9
133.06534	0.5
135.04430	2.2
137.09608	0.7
139.11214	4.9
141.09138	0.5
142.02603	0.6
147.04465	0.5
149.05992	0.5
153.09109	2.4
154.09930	0.6
167.14380	0.9
171.10237	0.9
176.07080	0.4
177.12794	6.6
183.01135	10.2
183.02684	0.9
184.01920	1.1
195.13850	29.2
196.14156	1.8
197.02710	42.4
198.03354	4.3
200.80879	0.4
201.11217	1.3
203.10728	1.0
211.04321	2.2
211.13353	3.0
213.11284	0.9
216.01025	0.8
225.05856	0.9
227.12788	0.6
230.02560	4.2
231.02919	0.5
244.04114	0.7
249.22270	2.1
253.09123	0.6
254.15439	0.5
265.21793	1.1
275.20224	1.4
289.18253	0.7
293.21234	23.2
294.21674	2.2
307.19232	2.0
307.22821	4.4
308.19852	0.4
308.23340	0.5
309.20847	1.0
310.21521	2.8
311.48294	0.4
325.18436	100.0
325.23840	49.4
326.18753	10.4
326.24155	4.5
332.33163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
69.03324	0.3
71.01247	0.1
71.58585	0.1
71.59047	0.1
75.97248	0.1
77.16167	0.1
79.05424	0.1
80.02540	0.1
82.47532	0.1
83.04897	0.4
84.02040	0.1
84.80273	0.1
87.09137	0.1
91.05390	0.1
92.02557	0.1
93.03341	4.4
94.03665	0.2
95.04920	0.2
97.02831	0.3
97.06449	0.1
107.04926	0.3
109.06490	0.2
111.04452	0.1
111.08050	0.6
119.04921	100.0
120.05247	3.8
123.04491	0.1
123.08053	0.1
125.09602	0.3
127.07545	0.2
134.06000	0.1
135.04503	0.1
147.04436	0.6
149.05975	0.1
149.08585	0.1
149.09613	0.5
151.11182	0.3
153.09128	0.3
157.08653	0.8
159.04391	0.1
160.05272	0.1
161.06058	0.3
165.12735	0.1
167.10803	0.1
171.10133	0.5
175.07607	0.1
177.09183	0.1
185.05925	0.1
185.11754	0.2
187.07597	0.4
193.08612	0.2
195.08441	0.1
195.10199	2.3
195.11934	0.2
196.10606	0.1
197.11726	0.6
199.03978	0.1
201.09152	0.5
201.11073	0.2
209.11688	0.5
211.13309	0.3
213.05545	0.1
213.09212	0.1
215.12866	0.2
219.10020	0.1
223.13332	0.1
227.03476	0.3
233.11568	0.1
245.19086	0.3
251.07346	0.1
255.02998	0.2
255.06677	0.5
256.03772	0.7
256.06186	0.1
257.04544	0.3
269.04529	0.3
278.02225	0.1
281.04404	0.1
282.05380	0.1
289.18127	0.4
307.09912	0.2
307.13620	0.1
307.19171	0.5
325.10858	5.4
325.14529	1.6
325.20129	1.9
326.11169	0.6
326.14810	0.2
326.20496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Plakortenone
Peak:m/z	Relative Intensity
57.03324	4.0
59.01254	4.8
63.96116	7.6
70.16372	3.2
70.16785	5.0
71.01296	2.6
73.02833	2.3
79.97756	1.5
83.04900	1.6
84.02052	2.2
86.84876	1.6
91.05428	2.0
93.03341	1.8
97.06474	6.7
109.02904	2.8
111.08053	1.9
113.09634	2.2
119.04926	16.4
121.02847	8.5
122.03661	7.1
123.04401	2.1
123.08046	9.2
125.09620	31.4
127.11213	2.2
135.04419	17.6
135.08046	2.2
136.05249	2.0
137.09659	2.8
139.11279	2.4
141.09106	16.5
143.10724	1.9
149.06009	3.6
154.55615	1.5
155.10718	3.7
165.09087	1.6
165.12778	1.8
167.14388	5.8
168.04362	1.9
171.10179	7.6
177.09410	7.8
183.01205	4.0
187.09775	6.2
193.15997	4.2
199.09766	3.2
201.09398	2.0
201.11266	27.8
202.11508	1.7
203.10793	5.1
205.08727	2.2
207.17523	4.2
209.11937	3.7
213.11371	2.7
227.12979	5.7
231.17616	1.8
233.15565	1.8
249.18588	39.2
263.20352	2.2
275.16547	29.5
281.21359	10.6
289.18259	4.7
293.17593	100.0
294.18066	6.9
296.59009	1.6
297.20837	2.3
307.19199	17.7
307.22546	2.2
308.19479	1.7
325.11246	2.3
325.14514	6.0
325.20358	77.0
325.23953	11.8
326.20755	6.5
330.56870	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	325.2021
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03315	4.7
59.01257	2.0
63.15892	1.0
68.70441	1.1
71.04895	2.6
71.06757	2.5
80.02550	7.3
81.03322	2.3
83.04888	2.7
84.02031	5.6
90.29046	1.1
93.03310	1.3
95.04932	1.1
97.06474	10.2
99.08037	3.3
111.08041	1.2
113.09608	2.0
119.04929	20.5
120.05250	13.9
121.05484	4.3
123.08055	5.2
125.09619	69.2
126.09917	2.1
127.11179	2.8
135.04443	3.1
135.08054	1.3
137.09625	44.3
138.09926	1.3
139.11185	1.6
149.06030	1.5
153.09157	3.0
155.10674	10.0
157.69681	1.1
163.11176	1.3
165.12744	1.8
167.14365	7.8
169.08629	2.6
171.10204	3.7
187.09679	3.6
193.15919	4.6
201.11316	2.0
204.07385	2.7
205.07620	1.7
207.17496	4.9
209.11734	7.6
221.08105	1.6
222.08437	2.7
223.08682	2.7
225.14665	1.1
227.12865	4.6
249.18640	11.0
250.12093	2.3
253.18115	1.2
263.20255	1.1
275.16595	2.8
279.19638	2.2
281.21194	12.4
289.17996	7.0
293.17596	3.5
307.19168	100.0
308.19461	6.4
325.13657	13.6
325.20294	18.2
325.23889	3.1
326.20663	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01751	0.8
57.03330	5.0
59.01257	1.8
69.03316	1.1
71.01248	1.5
71.04888	2.6
73.02814	0.8
80.02554	7.2
81.03332	0.8
83.04889	1.4
83.46018	0.6
84.02036	7.2
93.03368	1.1
95.04913	1.3
97.06465	9.2
98.20530	1.9
99.04415	0.7
99.08033	1.0
108.01988	0.6
109.02831	0.8
111.08041	1.2
113.09612	1.9
119.04918	6.8
121.02843	2.4
123.08055	7.2
123.99674	0.7
125.09616	85.4
126.09954	2.5
127.11163	3.1
135.04427	4.4
135.08037	2.4
137.09619	42.6
138.09952	2.0
139.11249	1.0
141.09151	1.5
147.04471	0.7
149.05957	0.9
149.09671	1.1
151.11125	0.7
153.09123	4.6
155.10681	11.0
156.11116	0.6
163.11238	1.3
164.08331	2.5
165.08946	0.7
165.12782	1.4
166.09952	0.8
169.08621	2.7
171.10172	6.1
173.54082	0.6
183.13737	0.8
187.09621	3.1
189.09029	1.1
191.10803	1.2
199.09715	1.4
201.11258	4.4
203.10762	2.7
209.11755	6.8
213.11247	3.4
219.10054	0.6
227.12843	4.6
228.13361	0.7
245.19226	1.4
249.18547	0.9
250.12114	1.5
253.18182	2.3
263.20126	1.2
267.06683	0.9
279.19684	3.7
281.21213	2.8
286.20804	0.7
289.18088	10.1
293.17722	1.7
307.19147	100.0
308.19519	8.2
325.14679	5.3
325.20255	21.3
325.24075	1.0
326.20541	2.1
344.49084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69626	1.4
57.03313	5.9
57.84237	1.4
58.00476	2.5
59.01260	4.4
64.42707	1.5
66.54905	1.5
68.97350	1.5
69.03343	3.2
69.66792	1.6
71.01249	2.3
72.02039	1.5
73.90146	1.4
83.04896	1.8
84.02040	2.4
84.43481	1.5
85.02821	1.9
93.03357	4.4
97.06480	6.1
106.04112	1.8
110.03631	1.6
111.08037	24.5
119.04910	17.1
121.02844	3.9
123.08054	12.3
125.06002	1.6
125.09615	37.9
127.11189	11.4
135.04396	15.3
135.08052	3.1
137.09650	8.0
139.11217	4.9
141.09108	5.2
143.10698	4.2
149.06009	6.0
150.43330	1.5
151.11182	5.0
153.09114	8.7
155.10660	6.7
164.08369	2.1
165.09084	4.2
171.10176	28.2
177.09081	2.8
183.10222	3.8
185.11781	6.0
187.09694	4.5
189.09271	2.2
195.10210	4.4
199.09711	8.1
199.13225	2.0
201.09358	4.6
201.11256	100.0
202.11644	6.1
203.10764	6.5
205.08662	4.4
213.11270	53.0
214.11777	2.1
219.10277	2.3
227.12920	2.9
245.19122	2.3
250.11989	2.1
263.20230	6.2
279.19568	1.7
289.18109	18.6
307.13657	2.9
307.19153	38.7
308.19534	2.1
325.14484	2.7
325.20209	61.0
326.20483	5.2
341.38290	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73929	1.6
57.03325	4.6
62.37002	1.9
63.07278	1.8
69.28839	2.4
69.29249	17.3
70.85658	1.7
71.01279	1.7
73.02833	1.8
97.06474	2.7
108.48238	2.0
110.03625	2.4
111.08037	24.8
121.79445	1.6
123.08067	2.8
125.09612	34.5
127.11205	10.0
134.93541	1.8
137.09615	7.8
139.11246	2.3
139.12521	1.8
141.09102	2.6
151.11153	4.8
153.09087	5.2
155.10660	5.8
164.08403	3.0
165.09081	3.8
171.10194	18.2
178.14496	1.8
195.10252	2.7
199.09694	5.2
201.11258	100.0
202.11658	2.6
213.11267	74.7
214.11621	4.1
245.19073	4.4
250.12140	2.8
289.18051	24.7
290.18304	3.9
302.81763	2.2
307.19159	58.1
308.19550	4.6
325.20184	99.8
326.20593	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35876	2.2
57.03322	4.5
57.67449	2.4
59.01246	7.4
63.59727	2.6
69.33714	19.9
69.34140	9.0
73.02839	6.7
83.04907	4.2
84.99810	2.5
92.00477	2.3
95.04947	3.1
97.06487	8.6
111.08061	4.5
119.04927	5.3
121.02837	8.3
123.08037	23.0
125.09607	100.0
127.11163	10.0
127.33846	2.9
135.08070	6.8
135.54564	2.5
137.09590	7.9
139.11197	3.4
141.09111	62.7
143.10649	5.9
147.08044	3.4
148.10008	2.6
153.09097	19.6
155.10657	7.8
171.10176	70.2
173.06078	5.1
181.06519	4.6
183.10100	4.6
185.11737	4.1
187.09688	15.0
189.09171	5.6
199.09688	9.6
201.09357	5.9
201.11246	93.5
202.11629	5.9
209.11734	8.0
213.11292	15.3
223.07607	6.2
224.04874	4.1
225.05525	5.2
227.12924	9.3
249.05676	3.3
249.12794	9.4
251.07033	3.0
263.20056	14.6
267.06583	15.6
268.07242	4.6
269.08286	4.8
281.21237	4.2
289.18033	11.8
293.11685	4.7
297.20630	9.9
298.21222	3.0
307.19098	29.8
325.10983	4.2
325.14444	71.5
325.20166	44.1
326.14731	7.7
326.20584	3.4
349.56189	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38083	1.2
56.65490	1.2
57.03325	5.5
59.01247	4.1
68.90080	1.3
69.03330	1.6
70.11391	6.8
71.01250	3.4
71.04899	1.9
73.89948	1.4
80.02547	7.5
83.76895	1.5
84.02042	8.2
95.04845	2.0
97.06467	12.6
99.08076	1.5
111.08051	6.2
113.09608	2.5
119.04904	11.4
121.02847	2.8
123.08038	10.7
125.09613	86.8
126.09954	2.9
127.11173	4.7
133.42493	1.2
135.04440	8.6
135.08015	3.5
137.09621	37.9
138.09889	1.5
141.09071	2.2
149.09595	1.5
153.09132	8.4
155.10695	12.8
163.11244	2.0
164.08281	2.3
169.08595	1.9
171.10193	14.6
185.11771	6.4
187.09639	4.2
189.09065	2.4
193.97209	1.2
197.11856	2.5
199.09729	2.3
201.09460	1.4
201.11261	20.1
203.10709	3.3
209.11769	5.8
213.11301	4.9
227.12843	5.0
245.19145	1.6
253.18143	1.4
263.20135	2.2
279.19577	2.5
281.21204	4.3
289.18060	14.6
307.19147	100.0
308.19586	8.5
325.14633	6.1
325.20218	37.0
326.20721	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	325.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49670	0.2
59.01239	0.3
69.03302	0.3
69.48340	0.7
69.48769	0.9
73.54514	0.2
83.04897	0.6
93.03334	4.5
97.02858	0.5
97.06451	0.3
98.19790	0.2
109.06472	0.4
111.08020	0.5
119.04922	100.0
120.05246	3.5
120.98514	0.2
125.09627	0.4
127.07610	0.3
132.73904	0.2
138.58725	0.2
147.04463	0.5
149.09619	0.5
153.09128	0.3
157.08618	0.8
171.10197	1.0
183.04430	0.3
185.11710	0.4
187.07608	0.3
195.10193	2.8
197.11798	0.8
201.09270	0.5
201.11206	0.4
209.11794	0.7
211.13391	0.7
213.11409	0.3
215.12874	0.4
225.95984	0.2
227.03499	0.6
227.12898	0.2
233.11617	0.3
239.00134	0.3
241.05019	0.2
255.02957	0.8
256.03726	1.8
257.04456	0.8
262.91199	0.2
269.04617	0.8
282.05347	0.5
289.18161	0.9
307.19247	1.0
315.23352	0.2
325.10852	14.5
325.14404	1.6
325.20129	3.1
326.11255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03334	1.7
59.01238	5.0
61.19584	1.7
65.42890	1.4
67.54405	1.3
69.03337	1.7
69.88891	7.3
71.01254	2.6
71.04894	4.3
72.60565	1.7
75.52555	1.5
80.02549	2.1
83.01247	2.4
83.04905	3.9
84.99728	1.4
93.06980	1.7
95.04931	8.0
97.06458	3.1
106.04125	1.8
109.06480	14.4
111.04408	29.8
111.08067	4.8
112.05192	2.3
119.04918	3.1
119.08488	1.6
121.06481	3.2
123.08047	2.7
124.05210	4.4
125.02369	3.3
125.09583	4.4
127.07523	4.6
135.04384	2.7
135.08031	5.7
145.06451	1.7
145.80251	1.6
149.06006	1.9
153.09128	16.2
167.10733	3.1
171.10191	53.7
172.10524	2.8
185.11705	2.7
191.11189	1.9
195.13799	2.8
197.09720	1.8
201.11266	7.0
209.11887	1.8
213.09166	4.0
213.11266	4.5
215.10732	4.7
223.07677	2.1
223.13225	1.6
235.13390	1.9
239.10757	4.5
241.08725	8.4
245.19095	4.9
249.14905	4.4
263.16357	2.4
265.08533	2.4
287.16559	1.9
289.18112	100.0
290.18472	10.7
290.40485	1.5
307.19165	19.1
324.23199	1.7
325.10822	52.4
325.14594	2.6
325.20206	22.7
326.11130	7.7
326.20401	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	325.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59590	0.1
70.50469	0.5
85.16239	0.1
91.05398	0.2
93.03334	6.2
94.03657	0.1
119.04919	100.0
120.05247	4.1
125.09602	0.2
135.04405	0.6
147.04425	0.8
161.05988	0.4
171.10159	0.2
186.97148	0.1
187.07570	0.3
193.08667	0.2
201.09160	0.4
201.11284	0.4
203.10744	0.2
253.08551	0.2
279.17313	0.2
288.60220	0.1
307.13333	0.3
307.18930	0.3
325.14383	2.1
325.20288	0.4
326.15009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71561	0.2
59.01264	0.2
68.08461	0.2
69.18962	0.2
69.55081	1.2
77.06817	0.2
77.51939	0.2
80.87473	0.2
93.03338	6.4
107.04875	0.3
119.04919	100.0
119.56061	0.2
120.05249	3.8
121.02872	0.4
125.09605	0.7
135.04424	0.7
137.09621	0.3
141.09097	0.3
147.04427	0.9
147.21556	0.2
149.05917	0.2
149.09683	0.2
155.10710	0.3
161.05995	0.6
167.10628	0.3
183.10286	0.2
185.11810	0.7
187.07578	0.4
193.08691	0.2
195.10213	0.2
201.09158	1.2
201.11121	0.4
203.10748	0.4
213.11269	1.8
213.49039	0.2
214.11668	0.2
227.12845	0.2
289.17841	0.2
307.19141	0.8
325.14395	2.4
325.20181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37399	0.6
57.03328	0.7
59.01249	1.0
64.57083	0.7
69.03347	0.8
69.27078	4.3
69.27509	2.6
70.31140	0.6
71.01260	1.2
75.16035	0.7
79.05370	0.7
91.05421	6.9
93.03324	7.0
98.20480	1.3
107.04906	2.8
108.02071	0.6
109.02827	5.3
109.06465	1.8
111.08057	2.2
119.04918	63.8
120.05237	2.5
121.02840	11.4
122.03683	0.7
123.08057	0.9
125.09655	3.0
127.11160	1.2
134.03668	3.5
135.04414	100.0
136.04752	4.1
137.09627	1.0
137.13666	0.8
139.11224	0.9
147.04419	6.2
148.05278	1.3
153.09117	1.4
155.10663	1.0
161.05968	1.8
166.02687	1.1
167.10759	1.0
171.10175	5.5
173.05966	1.6
177.09109	5.1
178.09639	0.7
185.11771	3.3
189.09138	34.6
190.09549	1.7
197.11810	1.5
199.09842	0.6
201.11252	9.3
203.10715	28.4
204.11115	1.4
209.11755	1.4
213.11258	1.8
215.10774	1.7
263.19977	0.7
289.18158	1.5
301.36838	0.8
307.19208	2.9
324.31732	0.6
325.10889	1.3
325.14478	6.8
325.20261	10.2
326.14749	1.3
326.20551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54441	0.5
65.03830	2.9
67.12897	0.4
68.66494	0.4
69.82185	2.0
69.82600	1.0
72.34451	0.5
73.78034	0.5
79.61442	0.4
80.68962	0.4
91.05404	13.5
91.05952	0.8
93.03323	3.4
98.19913	0.8
103.21227	0.4
103.99734	0.5
107.04884	3.2
108.02044	1.1
109.02832	12.2
109.06480	1.6
111.08044	0.5
119.04917	3.1
121.02841	33.8
122.03114	0.9
122.03677	0.5
123.08032	1.1
125.09606	1.5
134.03633	6.5
135.04411	100.0
136.04755	3.7
147.04414	16.0
148.05225	4.5
149.05902	1.1
159.04411	1.0
159.11734	0.6
160.05202	1.1
166.02597	0.8
171.10136	1.7
177.09125	11.4
189.09137	26.2
190.09502	1.9
192.77451	0.5
201.09285	1.0
201.11221	2.7
203.10704	70.6
204.11020	4.6
205.08710	0.8
213.11221	0.4
215.10733	8.0
227.12729	1.3
245.77386	0.5
325.14398	4.2
326.14853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49670	0.2
59.01239	0.3
69.03302	0.3
69.48340	0.7
69.48769	0.9
73.54514	0.2
83.04897	0.6
93.03334	4.5
97.02858	0.5
97.06451	0.3
98.19790	0.2
109.06472	0.4
111.08020	0.5
119.04922	100.0
120.05246	3.5
120.98514	0.2
125.09627	0.4
127.07610	0.3
132.73904	0.2
138.58725	0.2
147.04463	0.5
149.09619	0.5
153.09128	0.3
157.08618	0.8
171.10197	1.0
183.04430	0.3
185.11710	0.4
187.07608	0.3
195.10193	2.8
197.11798	0.8
201.09270	0.5
201.11206	0.4
209.11794	0.7
211.13391	0.7
213.11409	0.3
215.12874	0.4
225.95984	0.2
227.03499	0.6
227.12898	0.2
233.11617	0.3
239.00134	0.3
241.05019	0.2
255.02957	0.8
256.03726	1.8
257.04456	0.8
262.91199	0.2
269.04617	0.8
282.05347	0.5
289.18161	0.9
307.19247	1.0
315.23352	0.2
325.10852	14.5
325.14404	1.6
325.20129	3.1
326.11255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.07886	0.5
51.73592	0.5
52.80479	0.4
70.91000	1.1
93.03358	0.7
117.03333	0.6
119.04919	100.0
120.05258	3.5
145.02850	1.8
161.77592	0.5
163.03923	85.2
164.04254	3.7
204.73442	0.5
216.68864	0.5
244.99974	0.5
292.22934	0.5
315.42160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
59.01258	0.3
63.67214	0.3
64.26667	0.3
65.03831	2.8
67.01759	0.3
69.27050	1.8
69.27476	1.3
73.81063	0.3
79.05396	0.6
80.01321	0.4
84.03581	0.3
91.05412	15.7
92.05751	0.5
93.03337	4.0
97.06474	0.3
107.04897	2.6
108.02087	0.7
109.02839	12.5
109.06506	1.5
110.03172	0.4
111.08022	0.3
119.04910	2.2
121.02846	36.3
122.03585	1.6
123.08022	1.5
125.09621	2.6
126.09914	0.3
127.11189	0.4
133.02829	0.6
134.03639	6.8
135.04417	100.0
136.04762	3.9
141.09103	0.8
143.10658	0.4
147.04420	16.1
148.05219	6.1
149.05972	0.5
152.22784	0.3
153.09113	0.8
155.10648	0.6
159.04410	1.0
159.11674	0.9
160.05183	0.8
166.02617	1.1
171.10205	3.1
173.06007	0.6
174.06807	0.7
177.09125	12.1
178.09512	0.7
187.07483	0.6
187.09682	0.8
188.08301	0.4
189.09138	25.0
190.09439	2.2
197.11740	0.3
199.09674	0.6
199.13297	0.4
201.09337	0.7
201.11263	5.0
203.10712	67.8
204.11052	4.4
205.08600	0.5
213.11307	0.4
215.10716	7.2
215.12724	0.3
216.10982	0.4
227.12753	0.8
307.18893	1.6
325.10703	0.9
325.14371	5.1
325.20145	1.4
326.14798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.59883	0.9
56.80656	1.2
57.03316	2.5
59.01238	2.5
69.03316	1.8
69.47555	7.6
69.47966	2.5
71.04909	8.2
73.46424	1.0
83.04898	1.0
97.06461	2.8
98.20508	2.3
106.04182	1.0
109.06495	1.3
116.98976	1.2
118.42422	1.2
119.04923	2.1
119.08514	3.7
121.02877	1.3
121.10125	16.4
123.08028	2.8
125.09612	12.2
127.11169	1.1
135.08031	1.2
137.09628	17.4
141.12715	1.3
149.09631	6.4
150.38365	1.1
151.11171	1.4
163.11140	2.6
171.10191	20.2
185.11774	17.7
185.34982	1.0
196.38736	0.9
197.11720	4.7
199.59734	1.0
211.13255	3.1
217.15961	2.8
223.13359	1.9
247.20767	1.8
249.18361	1.5
254.81541	1.1
273.18604	8.0
291.19672	100.0
292.19986	8.7
305.21222	32.8
306.21439	1.9
323.12766	1.9
323.22256	43.9
324.22565	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	324.1816
Annotation	Awajanomycin
Peak:m/z	Relative Intensity
51.20925	0.5
59.01231	0.9
60.47262	0.5
69.03284	0.5
69.88729	1.0
69.89140	1.7
71.04887	0.8
71.59680	0.5
83.04909	0.8
85.02849	0.8
93.03336	3.2
96.86230	0.5
105.07021	0.7
119.04924	13.6
123.08149	0.5
135.04416	6.4
144.55821	0.5
146.09659	0.9
149.06015	4.5
162.12793	3.6
164.14362	21.1
165.14690	1.1
171.10144	1.2
190.12303	13.6
191.12561	0.6
201.09282	2.4
201.10867	0.6
205.08591	3.4
208.13388	25.9
209.13716	1.4
219.10220	1.2
232.16821	0.6
244.17067	1.6
245.96802	0.5
250.18115	2.0
262.18130	43.3
263.18430	2.9
280.19202	5.8
281.19501	0.7
289.18417	0.8
306.17075	4.7
306.25928	0.5
307.13342	1.4
324.18164	100.0
325.14407	1.3
325.18668	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57287	1.0
52.67701	0.9
55.52323	0.9
57.03308	1.7
59.01266	1.4
64.00179	0.9
69.27656	2.8
69.28073	7.3
71.25809	0.9
98.19827	2.2
102.66738	1.1
107.08530	3.8
125.09617	1.2
137.09621	1.4
139.11179	2.7
199.13338	1.8
213.11246	3.0
229.14420	3.3
239.12901	2.7
247.20639	2.3
263.20242	2.6
273.18579	1.7
281.99982	1.1
291.19672	25.7
292.20053	2.3
305.20880	1.1
308.19876	10.7
323.22263	100.0
324.22571	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	8.0
59.01254	12.6
59.02759	3.4
60.99182	3.2
70.82639	6.6
71.01236	7.5
83.04923	6.6
94.23272	3.2
97.06486	7.4
108.23402	3.0
109.06477	3.6
111.08077	4.3
112.90619	3.8
117.80895	3.7
119.04924	13.9
123.08071	8.1
125.09612	61.4
137.09605	20.0
139.11209	14.7
153.09106	36.0
155.10689	96.3
158.88908	3.8
165.09134	54.7
183.10190	100.0
197.11742	10.2
213.11209	4.6
214.12138	5.4
215.12830	27.9
235.79048	3.2
246.11108	4.6
291.19644	24.5
305.21146	7.5
323.16696	32.8
323.22098	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	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.52855	1.5
51.82915	1.3
57.03306	3.1
59.01233	2.1
65.44069	1.6
69.03334	1.4
70.64381	5.6
71.04895	2.3
80.02567	2.2
81.03324	2.2
95.04881	2.1
97.02876	2.5
102.52010	1.6
110.03609	2.9
111.08067	1.7
113.09617	2.1
114.49880	1.8
119.04933	4.5
123.04463	8.1
123.08041	17.4
125.09607	2.6
137.09633	4.2
139.11200	10.5
142.02644	1.6
151.07538	7.1
152.08318	7.0
153.09076	1.8
165.12698	1.9
165.90262	1.5
171.92078	1.7
173.23080	1.7
177.12776	8.4
193.12299	2.0
195.13828	24.8
196.14247	1.5
199.13307	2.6
203.14456	2.2
211.13335	5.9
221.11807	41.8
221.15231	8.5
222.12161	2.8
247.20680	6.1
253.14455	47.2
254.14996	6.3
273.18604	3.6
291.19662	87.4
292.20010	7.5
305.21240	24.6
306.21567	2.0
308.19824	8.1
323.22275	100.0
324.22629	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03320	6.8
59.01242	5.5
69.82026	2.7
69.82442	6.1
71.04892	25.0
73.02819	1.8
81.03340	3.8
83.04895	1.7
85.02830	2.8
95.04906	43.6
96.05217	2.0
97.02857	2.3
97.06464	10.5
98.19856	1.6
99.77179	1.6
103.38010	1.6
107.04911	3.1
109.06480	29.8
121.06458	3.0
123.08049	5.1
125.09641	21.2
125.55773	1.6
127.11212	1.8
133.06500	2.0
133.64636	1.7
135.08032	11.4
139.07553	2.3
141.09091	1.9
151.07529	9.9
151.11208	5.1
153.09113	4.4
153.86815	1.5
161.19414	1.7
164.92401	1.4
171.10179	100.0
172.10516	4.1
177.12825	2.7
185.11713	2.6
187.09721	9.6
189.12766	11.0
191.05496	3.0
201.11243	11.8
209.11771	8.1
211.13251	2.6
213.10919	1.6
223.13295	6.0
225.06294	2.1
233.11801	11.0
239.12915	2.7
243.17532	2.4
249.14937	27.1
250.15164	2.2
263.16492	6.4
265.14407	1.9
279.19632	8.4
287.16556	6.6
305.17548	23.9
306.17938	2.1
323.18677	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	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03316	4.1
57.41583	1.4
59.01243	5.5
65.03848	2.1
69.03324	2.6
70.56059	5.5
80.02541	5.9
81.03319	2.6
83.04895	7.1
90.04961	1.4
93.03336	4.2
95.04897	2.1
97.02828	3.9
97.05874	3.2
97.06470	54.3
98.06828	2.8
98.54690	1.7
106.04125	2.3
109.06476	34.7
110.03625	2.1
119.04913	8.2
120.05667	2.8
121.02813	1.9
121.06506	2.6
123.08045	7.8
125.09612	54.1
126.09944	2.4
135.08051	20.9
142.21907	1.5
153.09128	3.1
159.62045	1.5
161.06001	41.6
162.06273	2.9
163.11186	5.1
169.08577	2.0
171.10182	2.9
172.86018	1.4
181.12245	6.1
183.09048	1.5
185.11728	4.3
187.09758	1.9
197.11841	1.7
207.10211	20.5
209.11763	5.3
214.86073	1.4
217.15921	2.8
223.13197	1.8
225.11256	17.0
234.70868	1.5
235.13412	2.5
243.17430	3.3
256.11740	1.9
261.14929	3.7
261.18701	2.1
269.15454	2.9
277.18085	6.0
279.16037	69.4
280.16327	6.4
287.16577	24.3
295.19131	2.5
305.17596	100.0
306.17960	8.5
323.09344	2.3
323.12811	14.6
323.18781	10.1
324.12857	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	323.1499
Annotation	14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
Peak:m/z	Relative Intensity
50.81965	0.4
57.03309	2.1
59.01245	0.9
59.38043	0.4
65.03825	1.1
67.01759	1.2
69.65604	1.3
69.66030	2.1
71.01257	0.7
72.19766	0.4
76.02572	0.4
77.87318	0.4
87.04388	4.5
88.30235	0.5
93.03320	1.1
94.04133	0.6
96.88184	0.4
96.95888	1.4
101.05997	0.7
107.80709	0.4
108.02045	4.6
109.02843	15.4
119.04922	0.6
121.01960	0.8
121.02841	20.8
122.03635	30.7
123.04375	1.6
123.08048	3.9
125.09621	0.9
133.02844	1.1
134.03596	0.9
135.04408	2.4
135.08025	1.1
137.02348	0.7
147.11693	1.3
154.02596	0.7
161.05945	1.9
162.06735	0.8
163.07561	1.5
175.07562	1.1
177.01807	0.8
189.09128	0.8
191.10703	37.9
192.11002	2.2
203.10672	8.5
213.11195	0.7
221.11777	2.7
235.09811	0.5
235.13396	1.2
243.13852	0.6
261.14963	3.7
272.06100	0.5
279.16010	24.2
280.16196	2.3
305.17603	0.6
323.05338	1.6
323.14972	100.0
324.15259	7.7
324.18683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58134	0.2
54.30330	0.2
58.93539	0.2
59.01253	0.4
61.60401	0.2
64.96659	0.2
65.03863	0.2
69.82836	0.4
69.83257	0.8
70.32381	0.2
80.83081	0.2
91.01818	0.2
93.03331	0.7
94.75277	0.2
98.19800	0.3
107.04931	0.4
109.06450	0.3
119.04920	100.0
120.05260	3.2
121.02844	0.6
125.08158	0.2
135.04405	0.4
135.08037	0.2
136.01547	0.4
139.07594	0.2
143.04927	0.8
144.05678	0.9
145.02881	0.7
154.29793	0.2
157.06514	3.0
159.04492	0.2
159.08080	6.7
160.08434	0.3
161.02391	0.2
162.03059	0.2
164.87921	0.2
171.10196	1.7
175.07542	0.5
177.09271	0.2
178.08395	0.2
185.06071	0.3
187.03889	0.4
201.05501	0.4
203.07074	10.5
204.07344	0.5
217.08659	0.5
221.08142	25.6
222.08464	1.3
229.19577	0.2
267.06522	0.2
273.18613	0.7
277.19720	0.2
279.06601	0.2
281.11920	0.3
291.19717	1.4
292.20047	0.2
305.17908	0.2
323.12891	39.1
324.13254	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90368	0.3
59.01246	0.7
63.21105	0.3
65.03844	2.2
66.38528	0.3
67.62308	0.3
70.34194	0.7
70.34579	0.4
79.05413	0.8
91.04832	0.6
91.05408	13.0
93.03337	2.4
105.06978	1.1
107.04914	4.9
109.02842	11.9
110.03200	0.4
119.04921	1.0
121.02847	15.4
122.49479	0.3
125.09648	1.4
131.08595	0.3
135.04417	100.0
136.04744	3.6
139.07497	0.4
141.06998	0.5
147.04425	3.0
155.08543	0.7
157.10130	1.0
175.07545	3.0
183.08092	1.3
185.06000	2.6
186.06766	0.9
187.07574	6.0
187.09615	1.0
197.19147	0.4
199.09651	0.4
201.09148	47.6
202.09479	3.1
213.09239	1.5
228.59433	0.3
282.05746	0.3
291.19714	0.5
305.17392	0.5
305.20731	0.4
323.09344	0.4
323.12897	10.3
323.18646	0.7
323.22064	0.6
324.13159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01243	2.1
68.99678	2.3
71.04897	1.2
71.43085	1.2
72.86355	0.6
79.05405	4.8
79.25302	0.7
81.03334	2.1
83.04938	0.6
93.03341	20.1
95.04916	0.9
97.06480	0.8
99.00754	7.7
107.04916	11.6
108.02066	1.6
109.02840	1.6
111.08072	0.8
119.04924	2.8
119.08598	0.9
121.02845	3.5
121.10101	1.4
125.09628	4.3
128.71593	0.7
133.02870	1.5
135.04424	10.7
135.08086	1.2
137.09637	5.3
147.04410	2.4
149.09599	1.1
151.11160	1.1
157.06512	5.2
163.11201	1.5
165.09113	0.9
171.10193	10.5
172.05228	0.9
173.06024	2.5
175.07565	7.7
183.04468	10.6
185.11757	2.8
187.03975	1.3
187.07573	6.2
191.14317	1.1
197.11761	0.8
201.05501	6.5
202.06290	0.8
207.10249	0.9
209.06102	1.4
215.07076	1.5
217.15843	1.5
223.07706	0.9
223.11331	1.8
229.04999	0.9
229.08664	2.9
231.08150	1.0
238.09840	0.9
239.12970	1.2
245.09775	1.0
246.10333	1.0
247.07483	1.2
247.11252	16.5
248.04649	1.4
248.11436	0.9
261.09131	0.8
261.13394	0.7
263.10825	3.8
264.11392	1.0
265.05066	2.0
265.08676	2.1
273.18588	3.0
279.10400	1.0
279.19598	0.8
280.11032	1.1
291.10251	10.0
291.19662	15.5
293.08145	3.6
295.13385	1.4
305.17984	1.2
305.21231	13.5
306.21625	1.0
307.09775	17.2
308.10477	5.0
308.19971	0.7
323.12881	100.0
323.22089	15.6
324.13196	8.6
324.22620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49488	1.3
59.01255	6.0
61.98698	1.1
62.07966	1.2
65.03828	4.3
67.01763	2.1
69.62604	9.1
70.04186	1.3
71.01269	1.7
81.03300	1.4
86.16862	1.2
86.41635	1.1
91.05418	3.0
93.03337	100.0
93.54711	1.2
94.03684	1.8
95.04886	3.2
96.95895	1.8
98.19872	2.0
101.83630	1.2
107.04908	4.1
108.02047	3.9
109.02843	29.0
109.06477	1.9
113.55696	1.3
119.04941	7.6
121.02848	43.3
121.06527	2.3
123.04434	4.3
123.08049	3.8
125.09614	5.0
128.79718	1.3
133.02858	38.4
134.03564	4.3
135.04417	22.0
145.02885	1.9
146.03662	9.3
147.04416	19.4
153.09091	1.8
156.05794	1.3
157.06529	2.2
159.08098	1.7
161.02345	1.6
162.03104	2.4
169.06497	2.4
171.04494	1.8
171.10205	3.0
173.05956	2.1
174.06790	2.3
175.07602	12.1
177.09175	8.8
178.02611	5.7
183.04533	1.5
185.04547	1.6
185.06018	9.0
185.09650	5.7
187.07591	6.0
187.09668	2.5
188.08122	1.3
189.09138	21.9
190.09486	1.4
191.07094	1.6
201.09169	47.0
201.11214	4.5
202.09593	2.6
203.10689	5.5
211.07561	1.8
213.11183	1.6
216.07840	1.9
217.08655	8.8
225.05661	1.6
225.11343	1.5
226.06339	1.4
229.08672	42.0
230.08951	1.9
253.05081	6.9
254.05699	3.6
265.04916	1.6
267.06519	1.6
279.06628	2.6
279.13834	2.0
279.19632	5.5
287.16541	1.4
305.11893	5.2
305.17630	3.4
323.12888	83.5
323.18878	3.3
324.13287	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	322.0931
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.50542	1.5
56.46406	1.5
58.00456	3.6
59.01252	100.0
67.62524	1.6
69.82619	9.7
71.01258	53.5
72.01598	2.8
72.99181	6.4
73.02847	2.4
83.01254	3.6
85.02839	10.8
87.00738	2.6
89.02318	46.3
95.01300	2.2
96.95881	4.2
98.19779	2.6
101.02328	30.9
113.02348	19.0
116.04950	30.2
119.03389	19.0
131.03387	3.2
140.24666	1.7
143.03389	2.6
149.04417	2.5
159.02977	2.0
160.03946	51.6
161.04405	6.7
179.05545	2.7
202.05048	24.1
232.06178	4.2
257.36530	2.1
262.07239	35.0
268.60083	1.7
281.12369	3.6
293.10349	1.7
322.09299	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	323.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
65.70078	0.3
70.50866	0.5
70.51263	0.6
72.24700	0.2
74.95344	0.2
77.27312	0.2
79.95612	1.2
80.96396	0.9
96.95894	100.0
156.95560	0.3
161.68452	0.3
183.10265	0.4
243.12354	1.0
299.49829	0.3
323.08041	9.5
324.08295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.207
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.80114	1.5
56.71832	1.8
57.03315	3.9
59.01241	4.8
60.87535	1.7
69.03309	1.9
70.37997	1.5
71.01246	2.6
71.04891	30.1
71.58319	2.6
71.58701	2.0
81.03329	6.4
83.04881	6.1
85.02857	1.7
86.67416	1.8
90.21355	1.5
93.03347	5.4
94.02173	1.6
95.01276	1.8
95.04884	3.4
96.95907	1.6
97.06463	5.3
106.04096	2.0
108.02055	2.2
109.02825	6.1
109.06469	12.0
110.03625	2.7
111.04404	66.2
111.08028	5.1
112.04719	2.5
115.65087	1.5
121.33758	1.8
123.08038	3.7
125.05980	2.6
125.09602	2.2
127.07527	6.6
130.08641	8.4
133.10057	1.7
137.05972	13.0
137.09621	4.4
141.09091	5.3
147.04436	2.3
149.05957	4.3
149.09602	11.7
151.07530	8.2
151.11192	1.7
159.11644	2.4
173.04495	2.0
177.12787	33.6
178.13121	1.8
179.10674	2.2
184.90036	1.7
191.05566	4.6
191.21410	1.7
195.13805	4.0
221.11775	2.3
225.66855	1.7
230.82295	1.8
233.15376	5.0
235.13255	9.4
249.14818	6.5
265.18109	2.0
289.18069	18.8
303.16187	3.3
303.19617	5.8
306.18445	8.0
321.17020	9.4
321.20670	100.0
322.21036	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	321.207
Annotation	Rapanone
Peak:m/z	Relative Intensity
50.54844	0.6
59.01251	100.0
62.84080	0.7
66.74589	0.6
73.85209	0.5
98.19851	1.5
103.03873	1.5
119.10900	0.6
128.36444	0.6
219.26677	0.6
239.96156	0.6
316.32632	0.6
321.17535	2.0
321.20685	56.2
322.21115	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	321.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.4
60.99989	0.2
63.01062	0.1
69.29311	0.3
69.29712	1.1
71.01252	0.3
79.95612	1.1
87.00768	0.1
96.95889	100.0
97.95821	0.4
98.20554	0.3
109.02892	0.1
113.02325	0.1
119.04922	0.3
125.02312	0.2
131.03673	0.2
137.02271	0.1
137.23106	0.1
154.96867	0.1
160.72993	0.1
189.63770	0.1
197.11771	0.2
200.47707	0.1
321.06482	5.9
321.09912	0.5
322.06726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1708
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
55.01751	1.0
55.66155	0.8
57.03330	6.1
59.01256	2.0
65.03836	2.1
69.03331	2.5
71.01255	1.1
71.04897	13.9
73.02820	3.0
73.36707	0.9
79.05428	0.9
80.02569	2.4
81.03335	10.2
83.04905	5.6
93.03342	10.8
93.06979	1.0
95.01274	1.8
95.04905	73.8
96.05232	2.2
97.06471	9.1
99.04372	1.0
106.04156	1.5
107.04910	15.6
108.02093	1.6
109.02831	1.7
109.06483	20.9
111.04409	12.5
111.08058	1.5
115.01643	0.9
119.04950	1.7
121.02840	9.4
121.06496	7.3
122.03641	3.2
123.04396	4.3
123.08065	9.1
125.05964	1.5
125.09617	60.5
126.09959	2.1
131.23907	0.8
133.06520	1.9
135.04425	10.3
135.08070	1.7
136.05196	3.0
137.06015	6.1
137.09616	0.9
139.07538	1.3
139.11223	1.9
149.05989	12.3
149.09639	1.2
151.07559	100.0
152.07906	3.3
163.11266	1.3
167.07059	11.0
167.10661	4.2
169.08673	1.9
171.10188	20.1
175.11261	1.3
178.06285	5.2
181.12411	1.1
183.10194	1.4
185.11765	23.0
186.12094	1.1
187.09705	1.6
188.24632	0.9
189.12787	0.9
191.53798	0.9
195.53156	1.0
197.11679	1.2
201.11223	1.2
205.12303	5.1
211.13370	1.2
219.10204	1.5
219.13838	2.1
221.11890	2.0
223.09814	1.1
223.13344	6.0
231.10324	1.2
233.11722	0.9
237.11395	4.2
237.15012	2.4
247.13385	5.9
248.13567	1.2
249.11301	2.7
251.16519	1.0
263.12839	1.2
265.14438	36.9
266.14774	3.2
275.16483	1.4
277.18164	1.6
279.16028	2.6
285.14996	2.9
289.18082	3.2
293.17633	2.7
303.16022	13.4
303.19516	1.2
304.16562	1.4
321.17108	46.8
321.20670	5.0
322.17435	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	321.0616
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
54.92286	4.5
57.03309	8.4
59.01249	32.2
63.68090	4.3
69.03308	5.9
69.94092	19.5
71.01250	10.3
74.98951	5.0
81.03328	8.4
83.01270	12.9
85.02840	25.0
93.03344	13.2
95.01281	12.8
95.04923	9.5
96.95903	7.9
97.02846	10.3
98.20461	4.9
99.00754	12.9
101.02328	6.7
108.02034	5.1
109.02829	71.4
111.00764	46.7
113.02360	7.0
121.02853	20.0
122.03705	4.8
123.00772	21.4
123.04427	17.5
124.01559	8.0
125.02338	80.1
127.00304	7.6
135.04417	7.4
137.02335	52.7
139.00281	43.0
139.03908	7.7
140.00980	8.5
141.01822	34.4
147.04381	9.3
149.02332	44.0
151.03925	14.2
153.01843	100.0
154.99791	34.7
159.04343	6.4
161.02330	22.7
164.01048	5.8
165.01892	8.1
167.03416	23.9
171.04474	4.3
175.03929	18.6
177.01825	23.5
179.03453	5.7
181.01379	9.3
181.04979	11.1
183.02838	7.4
187.03969	7.0
189.05540	6.5
191.03441	5.4
193.04951	5.9
195.02919	6.0
201.01822	9.6
205.04999	8.8
215.03343	5.2
217.04944	20.0
231.02856	6.7
231.06544	5.6
233.04509	9.1
241.04962	13.0
259.06113	16.2
285.04123	11.1
303.05154	30.4
317.71259	4.9
321.06140	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0615
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
56.11862	6.5
57.03284	6.0
58.77417	5.6
59.01250	11.3
62.45559	6.3
63.57003	5.4
69.03340	6.7
71.01276	4.7
71.55556	11.0
81.03327	11.3
83.01250	11.6
85.02831	15.7
93.03315	11.5
96.95907	9.5
97.02831	9.5
99.00743	11.5
109.02843	71.2
110.82229	4.9
111.00760	49.0
121.02823	12.5
123.00768	17.5
123.04426	18.1
124.01514	6.0
125.02345	81.0
127.00303	5.2
130.91324	5.7
135.04396	9.3
136.22769	4.9
137.02327	50.3
139.00270	35.6
139.03860	12.3
141.01871	31.5
147.04422	9.3
149.02335	42.0
149.05977	8.1
151.03883	8.6
153.01831	100.0
154.02359	9.4
154.99776	20.5
161.02324	17.9
161.06007	6.1
164.01004	5.8
165.01814	15.4
167.03401	14.5
175.03862	23.3
177.01875	18.2
177.05315	7.9
181.01347	7.1
181.04974	11.5
189.05551	7.4
191.03458	7.0
195.02873	6.9
199.03894	6.4
203.03476	6.8
217.04936	18.4
231.06586	6.5
233.04436	8.6
241.04968	6.2
259.06119	19.5
285.04056	7.5
303.05029	31.1
321.06183	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.2
59.01255	7.7
70.09184	0.8
71.01259	5.5
71.04897	4.6
71.59244	1.7
72.65247	1.0
83.04913	1.6
89.02310	3.0
91.03886	4.1
91.81579	0.9
95.04942	1.3
96.95897	3.6
97.02840	4.1
97.06479	2.3
99.00762	24.1
106.59463	0.8
109.06474	1.5
113.70628	0.8
123.08049	1.8
125.09618	10.3
127.11181	5.5
135.08047	1.3
136.05202	1.6
142.02638	1.5
153.12747	1.2
153.55852	0.9
155.14326	1.1
163.11168	9.7
181.12260	23.3
182.12633	1.4
192.52321	1.0
196.86176	1.0
197.11765	2.5
199.13338	93.6
200.13707	5.6
207.10217	36.7
208.10587	2.4
225.11279	100.0
226.11562	5.4
227.12813	2.5
243.12352	45.4
244.12648	2.5
254.01161	0.9
299.10440	2.1
299.15112	2.0
317.05820	1.7
317.16061	75.8
318.16486	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	320.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01204	0.7
61.92817	0.5
62.69530	0.6
65.99706	1.6
69.51222	0.9
69.51630	4.0
71.04890	4.8
71.48209	0.6
73.02808	1.4
93.03326	0.5
95.04889	2.2
96.04414	0.7
98.05966	1.9
98.20514	1.3
98.36179	0.6
105.06970	1.8
107.03663	0.8
109.06487	0.8
110.05995	1.0
112.03940	0.9
114.05495	2.2
119.04910	0.9
121.06529	1.1
123.08019	0.8
125.09611	0.7
132.05714	1.1
135.04329	0.8
136.07536	1.8
146.07289	0.8
148.07576	8.6
149.05919	0.9
151.07539	0.6
158.04503	2.1
161.08292	0.9
161.09621	15.3
174.09059	0.6
175.06317	1.0
176.10699	0.7
178.12285	4.6
179.10695	22.5
180.11021	1.0
185.11537	0.7
190.12280	2.0
204.10228	100.0
205.08781	1.2
205.10532	5.6
207.10025	0.7
218.11815	1.0
220.13387	2.5
228.13985	0.7
232.16980	0.9
246.15009	0.8
247.11897	3.0
276.16025	7.9
303.16190	1.1
320.15051	5.9
321.17059	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36053	1.1
57.03322	1.4
58.07208	1.1
59.01248	7.4
59.67617	1.0
60.51370	1.1
61.03119	1.0
71.01253	5.4
71.04892	5.0
71.58723	1.6
83.01235	1.2
83.04910	1.8
89.02323	1.7
91.03859	5.3
93.03331	1.9
96.95921	1.5
97.02824	3.4
97.06490	2.0
99.00761	17.9
100.55918	1.0
101.02324	1.8
109.02772	1.2
110.03631	1.2
113.02354	1.3
123.03104	1.3
125.09634	6.3
127.11176	3.1
128.88379	1.1
142.02640	1.1
163.11234	7.3
171.10165	2.3
179.10738	1.2
181.12248	22.0
197.11766	4.5
199.13327	85.0
200.13693	4.3
207.08337	2.3
207.10196	31.8
225.11273	100.0
226.11626	5.7
227.12857	5.0
243.12370	44.5
244.12767	1.6
299.15088	2.5
303.56711	1.1
317.06390	4.6
317.16052	87.3
318.16455	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.4
59.01252	10.3
63.81023	1.0
63.81373	1.0
69.47004	6.1
69.47420	3.4
71.01260	6.1
71.04901	6.1
72.99194	2.4
73.02834	1.6
77.08471	1.1
77.08931	1.1
80.96404	1.1
81.03329	1.9
83.04903	3.7
89.02324	2.5
91.03896	2.0
95.04922	2.6
96.95908	9.0
97.02841	5.1
97.06467	2.5
99.00764	29.9
110.03630	2.0
123.08076	2.0
125.09617	11.1
127.11164	2.0
134.06004	1.3
135.08035	1.4
136.05191	2.0
142.02673	2.3
153.12851	1.5
155.14296	1.5
163.11206	18.3
164.11560	1.3
181.12268	51.8
182.12617	1.8
185.08089	1.3
199.13332	37.3
200.13675	2.7
207.10210	46.9
208.10432	2.7
209.11810	8.1
215.67784	1.4
225.11287	90.1
226.11644	6.2
227.12878	3.1
239.12758	1.5
243.12354	100.0
244.12651	6.5
255.11571	1.7
273.12326	5.3
317.05963	1.7
317.16132	54.7
317.19653	5.5
318.16519	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0667
Annotation	Bolusanthol A
Peak:m/z	Relative Intensity
56.34727	3.1
57.03312	3.7
59.01250	11.0
67.01765	3.7
69.03295	4.0
71.01241	4.0
79.01767	6.9
81.03337	8.5
83.04901	3.7
85.02825	7.4
93.03310	5.1
95.01280	9.6
96.95893	11.1
97.02834	5.4
99.00764	10.8
108.02067	10.5
109.02844	15.9
111.00760	17.2
121.02856	6.9
123.00775	71.1
123.04385	4.7
124.01521	10.5
125.02337	89.1
135.04466	4.8
136.01523	4.3
137.02333	9.4
139.00259	10.0
148.01566	4.8
149.02351	4.2
150.03146	6.2
151.00264	32.9
151.03973	5.6
152.01079	17.7
153.01849	100.0
158.60760	4.3
163.03925	4.5
165.01842	15.8
167.03384	4.5
171.10228	7.2
180.00587	19.3
181.01260	6.3
187.04007	4.8
194.94815	4.3
211.03929	4.0
215.03490	4.6
216.04248	6.6
217.04948	8.2
230.05997	4.7
231.06429	5.4
240.04437	4.4
258.05344	5.1
271.06049	8.2
273.07602	6.0
273.12430	4.6
289.07147	6.4
299.05618	9.9
317.06714	54.0
317.10565	6.9
317.16238	6.9
317.19467	20.5
318.07190	4.2
318.10721	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	317.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81421	0.4
59.01257	0.8
63.19516	0.3
63.96108	0.8
70.31245	1.5
71.01257	6.3
72.99190	0.7
73.02827	1.2
78.95773	0.8
78.98466	5.1
79.95600	6.6
79.96023	0.5
80.96392	54.5
81.03320	0.5
82.95975	0.4
84.75423	0.3
85.02808	2.2
87.00753	2.4
94.97967	11.4
96.95899	1.7
96.96825	0.4
97.02837	0.6
99.00762	0.8
101.02335	1.8
106.97971	2.5
113.02290	0.4
122.97468	1.9
125.02356	2.7
127.03886	0.7
134.97488	4.3
136.99033	1.1
138.93622	0.4
143.03416	0.4
148.99055	4.5
152.98544	5.3
159.11850	0.4
164.98544	9.6
165.98875	0.5
191.05551	1.2
206.99673	2.1
215.51671	0.4
218.89151	0.3
225.00694	12.9
229.15765	0.4
317.05466	100.0
318.05780	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1241
Annotation	(3R)-2'-Hydroxy-7,3',4'-trimethoxyisoflavan
Peak:m/z	Relative Intensity
59.01255	1.7
65.03843	2.7
68.68547	0.7
71.54417	0.6
71.58631	1.0
71.58990	0.7
72.96810	0.7
90.37523	0.6
91.05413	10.4
93.03355	2.9
93.04325	0.7
95.00239	0.8
109.02843	16.0
109.89391	0.7
112.46022	0.7
121.02853	10.6
125.53935	0.7
130.15587	0.7
130.59467	0.6
135.04422	100.0
136.04752	3.4
147.04456	2.5
148.05231	4.4
159.04501	0.9
160.05194	4.8
163.07573	5.7
167.07060	1.4
175.07576	7.9
185.89258	0.7
193.08641	16.6
215.93002	0.6
248.23953	0.7
315.12396	7.6
315.15826	1.1
315.19617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03269	0.8
59.01189	2.6
59.01462	0.7
68.99632	0.7
69.03307	3.2
71.01208	1.3
71.04834	2.6
71.58964	0.8
71.59394	0.9
72.32335	0.6
77.45755	0.6
81.03297	1.1
89.02304	0.8
91.03815	2.3
93.03322	5.0
108.02002	2.4
109.02781	1.0
111.00713	0.7
119.04919	85.4
120.05243	3.6
121.02872	3.2
122.03648	4.1
123.04345	1.3
123.08012	0.9
125.02262	3.5
125.09628	1.8
127.91296	0.7
134.03584	2.1
135.04401	1.5
137.02321	1.0
147.04379	1.4
150.03098	6.4
151.03931	10.0
151.11182	2.0
152.01028	0.9
152.04649	2.9
153.01805	1.2
153.05373	0.8
153.12729	1.8
155.03374	2.3
159.04445	0.8
161.09587	3.1
162.03119	1.7
163.03920	23.6
164.04732	6.2
165.01848	1.0
165.05504	5.9
166.05812	0.9
167.03406	2.0
172.56516	0.6
175.03934	11.9
176.04634	2.8
177.05455	6.0
179.07089	0.9
179.10693	15.3
180.04202	10.9
180.10951	0.9
181.04967	9.2
182.05373	0.7
189.05450	0.8
191.07144	1.3
193.04982	6.8
194.05685	2.6
195.06563	69.6
196.06894	3.6
197.11768	100.0
198.12085	5.6
209.08134	3.9
221.08159	1.7
223.09727	2.0
241.10789	17.2
242.11224	1.1
244.49763	0.7
253.08675	2.1
270.08926	0.8
282.09167	1.6
297.11520	1.0
300.09995	6.5
312.97079	0.8
315.08667	2.1
315.14655	31.7
316.09164	0.8
316.15030	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01247	0.3
62.35074	0.3
67.03733	0.3
69.75920	1.5
69.76334	0.7
71.01260	2.3
73.02821	0.8
74.92171	0.3
75.44337	0.3
79.90094	0.3
81.03317	0.6
83.01263	0.4
85.02834	2.5
93.03329	0.6
95.01250	1.9
96.95907	0.4
98.95484	0.6
99.00782	0.3
101.02325	1.3
108.02054	100.0
109.02852	34.8
110.03135	0.5
113.02344	0.9
121.02840	1.4
123.00764	1.3
123.04390	1.6
133.02876	0.7
133.49615	0.3
135.00768	0.9
135.04356	0.4
151.03909	2.4
152.01059	76.8
153.01849	35.7
153.02881	0.4
153.05420	0.7
154.02190	1.0
163.03935	1.4
165.01848	2.2
181.04962	0.4
195.03018	0.5
207.02917	0.5
225.03937	0.5
244.42125	0.3
315.07217	72.6
316.07553	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Taxicatin
Peak:m/z	Relative Intensity
53.27660	0.8
59.01264	1.5
62.33894	1.0
70.27246	1.1
71.01258	1.6
71.06390	2.4
74.45139	1.0
93.03318	1.3
95.01253	3.1
98.67001	1.0
99.69053	1.0
108.02029	1.3
109.02836	1.8
123.04414	90.4
124.04756	3.1
134.30176	0.9
139.00243	5.4
153.05490	100.0
154.05823	4.0
169.01353	1.6
175.30560	1.0
182.99249	1.9
199.21786	1.1
315.03589	1.5
315.07150	1.5
315.10788	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38586	0.6
59.01247	0.8
59.89505	0.6
70.74180	0.6
70.77843	0.6
93.03333	6.7
107.04900	1.0
108.02040	1.6
109.70342	0.6
118.87557	0.7
119.04917	100.0
120.05255	3.2
121.02833	3.7
122.03629	5.1
123.04380	0.7
125.02347	2.6
134.03642	2.3
135.04384	2.2
137.02368	1.4
147.04410	1.8
149.02419	0.6
150.03127	6.5
151.03922	12.0
152.04718	3.2
153.01834	0.8
153.05438	0.8
155.03400	2.5
162.03113	2.1
163.03920	24.8
164.04724	6.8
165.05478	8.8
167.03394	0.8
175.03923	12.2
176.04639	2.6
177.05498	7.1
179.03458	0.8
179.07056	1.5
179.10658	1.9
180.04196	12.5
181.04994	12.3
191.07095	1.5
193.04984	9.2
194.05766	3.3
195.06561	89.8
196.06909	3.4
197.11749	16.3
198.12083	1.2
207.06506	0.9
209.08165	5.2
221.08107	1.2
225.40930	0.6
241.10757	2.2
253.08661	1.3
270.08838	1.3
282.08963	2.0
297.11343	0.9
300.09979	8.7
315.12299	4.1
315.14963	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
69.74612	4.6
71.01252	2.1
72.68032	0.7
73.02806	0.9
75.38662	0.7
76.62177	0.7
85.02817	2.0
95.01248	2.1
98.45947	0.7
108.02054	100.0
109.02861	26.0
109.18661	0.6
110.03159	1.4
113.02303	1.4
121.02830	1.2
123.00780	1.2
126.72012	0.8
141.35893	0.6
145.59032	0.8
150.42110	0.7
151.03851	1.4
152.01059	60.2
153.01852	21.9
165.01907	1.2
224.57040	0.6
309.98621	0.7
315.07211	50.0
316.07520	3.5
321.67023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
58.33844	0.2
71.46008	0.4
77.03857	0.2
80.36176	0.2
83.08470	0.2
90.17932	0.2
108.54665	0.2
113.59245	0.2
121.02848	100.0
122.03183	2.9
180.05687	1.0
181.06517	4.3
181.08099	0.2
182.06760	0.4
225.05533	6.6
226.05887	0.4
260.50369	0.2
269.08228	0.4
280.64273	0.2
298.04739	0.2
312.22983	0.2
313.07190	11.2
313.23572	0.3
314.07516	0.7
323.47159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1083
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
51.72886	1.2
57.03977	1.2
57.59946	1.1
59.01258	3.6
74.41504	1.3
93.03342	3.7
98.19749	2.4
100.67406	1.1
101.49821	1.3
105.04848	1.3
107.04880	1.6
119.04924	99.8
120.05257	4.3
121.02806	1.9
122.03630	3.7
123.04402	3.1
135.04430	8.4
146.43947	1.2
149.02351	2.4
150.03145	42.2
151.03954	17.3
153.05495	1.7
161.02438	1.4
163.03923	32.1
164.04720	7.8
165.05511	5.5
177.05455	2.2
178.02661	15.7
179.03448	20.5
182.02141	5.3
191.03450	17.2
192.04178	4.6
193.05002	100.0
194.05342	4.6
197.02744	3.2
207.06516	3.6
213.10365	1.9
232.96536	1.3
241.09831	1.4
251.11877	1.8
269.12918	2.2
269.17618	3.5
285.12509	4.3
298.08463	18.2
313.11444	18.2
313.14929	7.1
313.23691	2.8
314.11694	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	313.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89257	0.4
57.03318	1.3
59.01245	1.0
69.03316	0.4
71.01259	0.5
83.04870	0.5
85.51412	0.4
93.03348	2.3
93.06978	0.8
95.04933	0.7
98.19815	0.9
109.02853	0.5
111.08032	0.5
113.35873	0.4
115.36475	0.4
119.04926	0.6
119.08533	1.0
121.02839	0.8
121.06480	0.6
121.10126	8.5
123.08011	0.5
129.06946	0.5
131.37360	0.4
137.09781	0.5
139.11162	2.4
141.09093	0.6
143.52892	0.4
147.08052	1.8
165.12790	0.5
175.07309	1.7
175.11171	0.8
179.10432	0.5
189.08971	0.6
193.08430	0.5
207.09976	9.3
209.07983	2.1
215.14325	0.7
217.15935	3.1
227.17995	3.3
229.22029	0.5
233.11481	0.6
243.17493	2.6
245.19090	24.5
246.19498	2.2
283.13257	1.0
293.15179	1.1
295.16751	1.7
298.15506	1.1
311.16214	2.6
313.17856	100.0
313.23792	2.9
314.18213	9.0
325.14093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.73278	1.1
57.03316	1.7
57.40425	1.3
57.52618	1.1
69.26692	1.4
69.27299	10.7
89.26966	1.1
113.09600	2.7
121.10135	1.9
125.09629	3.5
127.11118	6.2
129.09116	3.6
137.09593	2.1
139.11185	12.7
141.41185	1.2
155.10651	3.6
169.12259	1.6
171.10184	63.4
172.10533	3.3
181.12257	1.9
183.10162	4.6
185.11766	10.3
197.11769	5.3
199.13411	1.6
201.11255	14.1
211.13327	7.7
275.20163	7.3
293.21213	22.4
294.21579	1.4
311.22266	100.0
312.22684	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65437	0.6
69.18418	0.6
71.53669	1.2
94.23109	0.5
97.06473	0.6
98.94367	0.7
113.09622	0.8
115.07524	1.6
116.58891	0.6
121.38463	0.6
128.08392	0.6
139.11211	0.9
161.62054	0.7
167.14337	4.7
171.10210	2.1
177.12732	0.8
183.13820	2.4
195.13844	10.4
204.69646	0.7
211.13274	1.7
213.14848	1.3
242.15109	0.6
275.19809	0.7
293.21280	10.3
311.22281	100.0
312.22598	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09951	0.5
57.03323	1.0
60.27389	0.6
67.52870	0.7
69.35791	0.9
69.36118	6.9
87.21653	0.7
97.06458	1.0
97.36590	0.6
107.57201	0.8
123.08078	0.9
125.05918	0.6
125.09644	4.5
137.29877	0.7
139.11176	1.1
141.09096	1.0
141.12756	1.1
153.09138	1.4
155.14319	1.9
157.12227	0.8
171.10194	1.8
199.09718	0.9
200.10399	3.6
206.24767	0.8
234.41209	0.6
249.22235	2.5
262.33813	0.7
265.21707	1.1
267.23224	1.7
293.21167	8.0
311.22281	100.0
312.22726	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
57.83303	0.7
60.24285	0.6
65.35453	0.7
71.34926	1.1
72.46894	0.7
77.25063	0.7
77.49885	0.7
82.08939	0.9
89.96417	0.8
123.08024	1.5
125.05965	0.8
125.09574	3.7
139.11179	1.3
139.49667	0.7
141.09090	2.6
141.12753	1.0
153.09123	2.2
155.14308	1.5
157.12273	1.2
171.10219	3.5
199.09726	1.0
200.10487	2.7
249.22203	2.5
265.21710	1.7
267.23303	1.4
275.20190	0.9
293.21109	7.8
311.16571	2.6
311.22278	100.0
312.22684	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Nepetoidin B
Peak:m/z	Relative Intensity
59.01266	1.0
67.01759	1.7
69.41502	5.9
77.03838	4.2
79.95589	0.7
89.03851	3.9
93.03322	0.7
95.04900	0.9
98.19823	1.6
105.03342	13.0
109.02807	0.9
117.03354	18.2
118.03740	1.1
119.04932	7.5
121.02845	4.2
123.04408	2.8
125.09603	0.8
132.02071	1.1
133.02849	33.3
134.03185	1.0
135.04425	17.0
149.02341	4.8
150.03113	2.7
151.03906	2.2
161.02359	19.5
163.03870	2.1
165.05278	0.8
167.03416	7.9
177.01872	1.9
178.02742	1.0
179.03427	33.6
180.03827	0.9
182.65634	0.7
191.03464	1.8
193.04968	5.6
197.02748	1.8
197.04471	15.9
239.07109	1.8
249.05571	0.7
249.34744	0.7
251.07039	1.3
283.06116	3.4
295.06113	37.0
296.06476	3.3
298.08585	1.5
313.07196	100.0
313.10672	3.9
313.14868	4.3
313.23834	2.0
314.07538	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.2
59.01252	1.7
69.03291	1.3
69.68896	7.0
83.04896	1.8
99.08035	3.4
113.09604	4.4
125.09693	1.2
127.11209	2.3
129.09126	7.1
132.39040	0.9
139.11218	5.6
143.50940	1.0
147.82811	1.1
153.12729	1.9
169.12265	2.7
171.10181	18.9
181.12297	5.0
183.13893	2.2
185.11775	3.3
193.12294	3.6
197.11765	16.3
199.13330	6.1
201.11259	1.8
211.13350	22.5
265.21817	1.0
275.20178	3.8
293.21207	24.6
294.21378	2.0
311.22284	100.0
312.22525	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.7
59.01246	2.1
60.87736	0.6
65.40081	0.7
67.87730	0.7
70.16833	3.2
71.04874	1.2
83.04916	0.7
97.02830	1.4
97.06467	1.1
97.10739	0.7
98.20559	0.8
99.08009	1.0
104.13144	0.7
113.09602	7.6
114.01030	0.6
121.10122	3.1
125.09584	2.8
127.11153	2.8
137.09625	2.0
139.11183	29.9
140.11514	1.2
153.09116	1.5
155.10674	2.4
165.12750	1.2
167.10667	2.0
171.10178	53.0
172.10583	1.6
179.10764	0.9
183.10153	0.8
183.13782	0.8
185.11752	4.8
193.12225	0.7
195.13809	1.8
197.11844	0.9
197.91826	0.7
201.11269	3.4
211.13324	4.5
247.62524	0.8
249.22208	1.8
265.21854	0.9
275.20184	2.0
293.21213	39.0
294.21423	3.4
309.91592	0.7
311.22275	100.0
312.22641	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01250	2.3
71.57822	1.3
75.60403	0.7
90.29489	0.6
121.02831	1.3
122.03601	1.1
157.08586	1.1
167.14325	1.8
171.10184	1.8
175.76721	0.7
186.45972	0.9
223.20638	1.9
224.20882	1.0
233.15382	0.8
240.66394	0.7
249.18593	4.7
267.19662	100.0
268.20013	7.2
275.16495	7.2
293.17624	32.2
293.21008	5.3
294.17899	1.9
311.18631	22.1
311.22235	15.8
312.18997	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02106	0.7
58.73428	0.8
70.11271	4.0
122.49565	0.8
139.11159	1.7
149.76851	0.9
154.09866	2.0
177.12781	3.5
195.13754	3.7
196.11047	0.8
196.14409	0.8
249.22298	4.2
281.26767	0.9
293.21225	87.5
294.21533	7.2
311.22266	100.0
312.22656	8.3
319.71674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66137	0.5
64.49932	0.5
65.03828	0.6
70.10146	3.3
79.05396	0.6
81.03341	3.8
83.01228	1.0
91.61674	0.5
93.03353	0.9
98.19872	0.8
107.04916	0.9
108.02068	0.8
109.02853	4.0
109.06468	4.2
115.05495	1.1
121.02842	12.0
129.09097	0.8
131.08464	0.7
133.02835	1.7
133.06506	1.5
134.03529	0.6
135.04443	1.0
145.10132	1.3
155.08527	1.5
157.06490	6.5
158.03625	0.9
159.04445	6.7
161.02364	0.9
161.09633	1.4
164.40764	0.6
171.04417	1.7
171.10172	0.8
172.05208	2.7
173.05974	4.4
180.05611	1.4
181.06503	2.6
182.06903	0.7
183.04430	2.3
185.02388	1.6
185.05981	1.1
186.06822	0.9
187.07607	1.2
188.08226	0.7
189.09137	12.9
190.09418	0.6
197.06029	6.2
197.11699	1.3
197.13379	0.8
198.06767	1.6
199.03925	1.7
199.07497	1.8
201.05507	4.9
201.09190	0.9
211.07555	3.2
211.13293	1.5
212.08351	0.9
213.05496	2.7
214.06291	2.0
223.07597	1.6
224.04852	0.6
224.08313	0.8
225.05566	4.0
225.12746	2.0
226.09901	0.7
227.03423	1.8
227.10739	4.5
238.06346	1.7
239.07057	0.8
241.05034	32.5
241.12186	0.8
242.05606	4.4
243.13863	6.2
249.12842	4.2
249.18329	0.7
250.06181	0.6
251.10803	1.9
253.04971	0.6
255.06590	6.6
267.06604	2.1
267.13919	14.2
268.14288	1.1
269.11823	6.9
270.11963	0.7
283.13483	0.9
293.11871	8.5
293.21246	3.1
294.12180	1.0
311.12894	100.0
311.22232	10.1
312.13235	10.2
312.22647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1288
Annotation	4'-Prenyloxyresveratrol
Peak:m/z	Relative Intensity
51.41387	1.0
53.23348	0.8
59.01238	3.6
60.47535	0.9
65.03831	10.4
67.01762	9.2
71.01250	2.2
75.00755	3.2
80.96391	3.9
82.95977	11.9
82.96791	1.6
98.19810	1.9
108.02117	1.0
109.02837	38.8
121.02837	27.8
133.02855	3.4
134.03685	1.3
135.04407	6.5
145.02927	2.1
146.03632	4.0
147.08061	5.6
149.02452	1.2
153.07048	0.9
158.03645	2.0
159.04433	7.1
161.02362	2.7
161.06003	1.2
171.04433	1.8
172.05168	2.4
173.05943	7.3
174.06726	3.3
174.99196	3.2
175.07544	2.4
180.05704	1.5
183.04445	2.7
185.02452	1.6
185.05997	4.1
186.06868	1.8
187.07550	1.3
189.09134	34.8
190.09422	1.7
197.06012	6.9
198.06775	2.2
199.03906	2.4
199.07602	1.4
200.04567	1.1
201.05492	3.3
201.09138	35.7
202.09456	2.1
209.05954	1.4
211.07594	1.9
213.05547	3.8
213.14943	4.0
223.07608	1.6
224.04767	2.7
225.05482	6.1
225.12851	1.4
227.03461	3.0
227.10646	2.2
238.06200	1.7
241.05022	41.7
241.12294	3.4
242.05713	5.2
243.13858	14.1
244.14264	1.2
249.05649	2.0
249.12811	2.4
250.06216	1.3
253.04971	2.1
254.05794	5.5
255.06526	4.0
265.04828	1.0
265.12143	1.1
267.06598	3.8
267.13895	7.7
269.11832	17.4
270.12253	1.3
283.13470	2.2
293.11884	11.9
294.12354	1.1
299.11877	2.9
309.11407	9.0
311.12881	100.0
311.22165	5.2
312.13211	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0985
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
52.12655	4.0
53.07000	4.1
53.92751	4.0
59.01250	62.2
60.58833	4.8
61.74926	4.2
69.38499	47.7
71.00887	7.2
71.01250	63.4
72.99197	5.2
73.02831	15.7
83.01254	6.3
85.02816	5.4
89.02318	100.0
90.55013	4.6
96.95898	14.0
97.02862	4.1
99.00755	52.2
99.26743	4.2
101.02323	51.9
108.17647	5.0
113.02354	8.8
129.58681	5.9
131.03397	10.9
149.04459	32.1
161.04431	5.6
191.05566	17.9
227.87845	4.5
249.60477	5.2
311.08047	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01253	0.5
57.03319	0.6
59.01253	100.0
60.52935	0.5
61.26479	0.6
69.18100	0.6
70.33916	1.5
70.34301	1.3
71.01253	6.5
73.02824	1.8
75.57581	0.6
77.63107	0.8
83.01280	1.3
85.02847	3.1
87.00769	0.9
87.39814	0.7
96.95921	2.0
99.00795	1.6
101.02328	4.9
113.02351	2.3
117.40090	0.6
117.56152	0.6
125.02385	1.0
157.42477	0.7
161.04533	2.8
163.87840	0.7
166.02609	3.6
173.22443	0.7
241.91943	0.6
269.10480	1.7
311.22571	1.4
311.29507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
67.01727	0.9
67.83565	0.7
71.01254	1.0
81.03329	3.9
83.04917	1.2
99.08033	1.3
107.04893	2.4
107.08546	1.0
108.02083	1.5
109.02849	5.3
109.06465	9.0
115.05481	1.1
119.04897	0.9
121.02848	14.8
122.86459	0.8
123.04379	1.0
129.07001	0.9
133.02863	0.9
133.06502	2.0
135.04420	1.6
139.11174	2.0
145.02832	1.1
155.05045	0.9
155.08598	1.2
157.06487	8.8
159.04420	11.0
161.02338	0.9
167.78680	0.8
169.06520	0.9
171.04436	1.7
171.08072	0.9
171.10168	3.7
172.05179	2.4
173.06024	6.1
175.07513	1.4
177.09161	1.6
181.06560	2.3
183.04471	3.4
185.02344	2.2
185.05997	1.3
186.06796	1.1
189.09145	17.0
197.06055	5.3
198.06670	1.6
199.07574	1.9
200.04723	0.7
201.05560	7.2
201.09186	1.2
209.06003	1.4
211.07570	3.3
213.05496	1.8
214.06302	2.7
223.07596	3.0
223.14819	1.7
224.08321	1.4
225.05548	3.9
225.12816	4.4
226.09909	1.3
227.03511	1.9
227.10724	6.5
229.17862	0.8
237.05566	1.3
237.09207	1.1
237.18646	2.6
239.06972	1.5
241.05026	20.0
241.12361	1.4
242.05789	3.9
243.13867	7.5
249.05478	0.9
249.12808	7.2
250.06349	1.0
251.10652	2.5
252.11389	0.9
255.06682	10.0
256.07114	1.5
267.06555	4.3
267.13901	22.7
268.14288	0.8
269.11835	9.9
270.12164	1.1
272.81213	0.8
283.13538	1.9
293.11859	9.8
293.21210	9.5
296.10291	1.1
311.12888	100.0
311.22263	28.4
312.13235	10.3
312.22537	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98316	0.9
57.03313	0.8
68.63531	0.9
69.65377	2.4
69.65804	3.6
71.04582	0.8
84.11320	0.8
86.49222	1.0
89.09008	0.9
93.82977	0.9
97.02805	2.3
97.06493	0.9
102.15781	0.8
107.99652	0.8
110.03649	1.2
121.06538	1.1
123.04390	2.9
123.08073	1.9
139.07608	0.9
148.77870	0.9
151.11166	3.7
153.09137	1.3
156.48103	0.9
165.12694	1.1
171.10138	1.2
177.12822	1.8
185.11707	2.2
195.13835	4.0
203.14258	1.1
221.11798	5.0
225.76268	0.8
235.89252	0.9
239.12932	2.2
245.41571	1.0
247.20605	7.5
261.88455	0.9
273.18524	1.3
291.19669	100.0
292.20029	11.1
309.20703	46.1
309.24283	2.1
310.21112	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
59.01250	4.1
62.30796	1.3
66.28693	1.2
69.03339	3.8
69.56588	1.5
70.87623	3.1
83.04911	1.7
84.09428	1.6
95.58684	1.5
107.08543	1.9
108.05715	1.4
117.01742	1.6
119.08547	15.2
121.10172	1.5
125.09665	7.5
127.11166	3.1
135.08063	2.0
137.09612	32.6
139.11197	2.3
144.72566	1.4
153.09253	1.4
155.10666	4.3
167.10698	4.3
171.10193	100.0
172.10544	2.6
183.10207	5.2
185.11757	23.6
195.10255	2.3
201.11287	7.0
213.11227	8.2
273.18573	8.5
291.19690	27.2
292.20016	1.9
297.21478	1.4
309.20740	24.2
310.21017	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81973	1.2
57.03334	1.8
67.01754	2.2
81.03383	1.3
83.04897	2.1
109.06483	1.3
111.08072	3.0
117.69596	1.2
121.10143	9.2
125.09601	8.0
137.09628	4.6
171.10252	6.3
177.12880	1.7
185.11758	10.8
197.11781	14.8
209.11760	1.8
211.13345	63.7
212.13742	3.7
216.54462	1.6
221.11725	4.0
247.20769	1.8
252.00816	1.3
291.19662	100.0
292.19974	9.6
309.20691	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.5
59.01256	4.7
68.89511	1.2
69.03323	2.6
69.24757	6.7
69.25192	3.4
71.04887	8.1
73.02827	1.8
76.93916	0.8
80.02544	1.5
83.04908	2.5
93.06976	2.1
95.04906	1.9
96.95902	1.3
97.02833	6.8
97.06497	4.8
98.03666	1.1
107.04906	1.1
109.06455	2.1
111.08044	42.6
112.08369	1.2
121.10110	2.3
123.08047	1.0
125.09598	3.9
127.07564	1.5
127.11193	1.0
137.09625	12.4
138.09944	1.0
139.11131	1.5
151.11223	8.7
153.09175	1.5
153.12737	2.1
162.38498	1.1
163.11166	2.3
165.12814	6.0
167.10667	1.3
169.12260	7.6
171.10191	27.4
181.12228	3.6
183.13817	2.6
185.11755	4.3
193.12157	1.5
195.10188	2.1
197.11769	90.9
198.12099	5.4
199.13318	3.4
201.11247	1.6
207.10283	1.1
209.11810	3.3
211.13362	8.9
219.13860	1.1
221.11620	1.1
227.12846	15.3
228.13234	1.3
229.19649	1.2
233.15268	1.4
235.16927	1.5
247.20682	5.5
251.16472	7.0
263.20078	4.9
265.18073	4.0
273.18628	3.8
291.19669	79.7
292.19992	7.8
309.20712	100.0
310.20981	10.8
321.16989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74723	2.2
53.65845	1.8
57.03329	5.3
57.19525	1.9
58.00478	3.7
59.01260	3.0
70.16633	8.4
80.02549	9.0
84.02055	2.3
84.85915	2.2
97.06467	3.2
123.08032	22.6
123.33215	2.1
125.09599	19.4
127.11175	8.7
131.65517	2.2
137.09624	15.8
139.11211	7.1
144.14423	2.1
152.08218	2.4
153.09149	5.3
155.10681	48.1
167.10724	6.9
171.10190	100.0
172.10582	3.4
185.11751	97.7
185.13423	4.8
186.12120	5.1
190.21594	2.2
203.14151	2.2
212.10489	3.6
247.20697	7.3
263.20142	11.1
265.21695	4.9
273.18564	2.7
281.21164	13.7
291.19656	40.1
292.20114	4.2
309.17368	4.1
309.20670	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	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.45377	2.4
57.03326	7.5
65.38589	2.5
71.01270	2.4
71.53662	4.3
71.54015	2.4
73.13615	2.4
80.02551	9.8
84.02018	3.1
84.48032	2.4
92.67717	2.7
96.95897	6.1
98.20763	2.3
103.93497	2.9
106.84182	2.7
109.85594	2.3
123.08038	18.6
125.09642	23.6
127.11174	8.8
137.08722	3.0
137.09601	18.3
139.11189	9.3
141.12807	2.9
151.11212	3.1
152.08446	2.5
153.09123	3.0
155.10684	40.0
166.56543	2.4
167.10660	6.7
171.10179	100.0
172.10468	5.3
185.11752	95.1
186.12151	3.3
212.10335	4.6
247.20660	6.2
263.20047	7.7
265.21658	4.6
281.21265	11.5
291.19666	41.5
309.17389	6.6
309.20673	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.4
62.68083	1.2
69.03314	1.4
69.86253	7.9
71.04906	2.2
71.59468	1.3
74.48862	1.2
74.97723	1.3
75.10520	1.1
79.54771	1.1
80.02544	8.2
81.03316	4.8
83.04903	28.3
84.02029	11.3
95.04885	2.0
97.02792	1.4
97.06455	4.0
99.08057	10.1
109.06469	2.3
111.08044	1.8
113.09588	2.3
115.07560	5.9
123.04396	2.3
125.09621	7.4
127.11191	4.7
128.03831	1.2
135.07999	2.6
137.09630	49.4
137.57364	1.1
138.09972	2.2
139.11159	7.1
148.05226	2.0
151.07504	1.6
151.11148	4.2
153.09122	9.3
154.09929	1.7
155.10689	51.7
156.10963	1.6
165.12737	1.8
167.10722	3.1
169.12286	2.0
171.10181	51.2
172.10548	2.7
180.04190	3.0
193.12271	31.4
195.13872	2.1
209.11781	4.1
211.13297	5.1
247.20625	9.4
263.20193	5.6
265.21786	6.6
273.18655	2.0
281.21219	2.1
291.19675	100.0
292.19983	7.8
309.20706	74.1
310.21063	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.9
57.03307	1.9
59.01250	3.4
68.82272	1.2
69.03328	1.7
69.26985	11.5
71.04906	1.6
80.02528	2.1
81.03335	3.6
83.01252	10.0
83.04887	5.0
88.82650	1.3
90.06143	1.5
95.04897	1.6
97.02805	1.1
97.06458	4.2
98.03585	1.9
109.06453	1.8
123.04408	2.9
123.08031	4.3
125.05951	2.2
125.09605	13.9
127.11137	2.4
137.09605	1.4
139.11183	12.3
141.09074	1.3
163.11192	6.5
165.12784	14.9
167.10712	6.5
171.10161	3.1
181.12314	3.0
185.11737	2.6
191.10670	3.5
193.15894	8.1
200.49567	1.3
209.11772	51.6
247.20673	14.4
250.50470	1.3
263.20139	1.8
265.21689	3.9
273.18561	5.2
281.21268	2.1
291.19672	100.0
292.19910	6.9
309.20667	25.9
310.21140	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	309.2072
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
54.75472	1.0
58.00479	2.3
61.75618	1.0
69.73766	6.5
93.03342	1.9
93.06976	1.6
111.08038	31.1
119.04923	10.0
123.94250	1.1
127.07549	2.5
131.68256	1.2
151.11130	1.7
153.12787	1.3
167.10651	1.1
169.12251	7.0
171.10213	3.7
179.10817	1.2
181.12163	1.6
181.31131	1.0
189.09157	2.8
197.11768	100.0
198.12172	4.8
199.13312	3.5
203.10779	2.5
211.13353	11.8
227.12866	4.2
263.20142	8.6
265.18060	2.2
273.18579	2.5
291.19662	17.9
292.19778	1.3
309.20715	29.0
310.21002	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.23766	0.5
57.03317	1.6
58.00472	0.5
59.01244	1.3
69.03346	0.6
69.86678	0.9
69.87071	1.4
71.45080	0.5
73.02824	0.8
74.57316	0.5
83.04895	1.1
97.06472	2.3
123.08048	1.9
125.05979	1.3
125.09618	7.7
126.10026	0.5
127.11160	2.3
137.09650	2.4
139.11157	1.8
141.09087	2.2
143.86940	0.6
151.07542	0.8
151.11153	0.8
153.09108	2.1
153.12740	0.8
155.10680	1.8
155.14287	0.9
165.12863	0.6
171.10197	5.6
175.20747	0.5
179.14348	0.6
183.13861	1.3
185.11676	1.2
199.09708	6.8
200.10472	8.9
201.11261	5.5
211.13339	0.6
211.17001	0.7
213.11237	1.4
215.12877	0.8
225.12099	0.5
226.12050	0.5
247.20650	7.3
263.20135	1.4
265.21768	2.9
268.36801	0.5
273.18564	1.6
281.21170	1.7
291.19672	18.8
292.19962	1.6
309.20712	100.0
310.21085	9.5
332.93536	0.5
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
60.13348	1.4
62.28460	1.3
65.50973	1.2
69.69374	8.3
81.37500	1.2
89.39364	1.1
107.48337	1.3
107.82246	1.4
109.06496	1.6
109.36730	1.3
111.08044	35.8
111.71386	1.2
127.07512	1.4
128.82825	1.3
146.86552	1.2
153.12701	1.9
166.40001	1.2
169.12260	4.3
171.10226	1.5
184.64931	1.5
197.11777	100.0
198.12103	4.4
199.13373	3.8
209.15428	2.0
211.13359	9.4
227.12912	4.0
263.20111	5.1
265.18106	2.8
273.18567	1.9
291.19650	20.7
292.20209	2.4
309.20682	39.4
310.21136	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.5
59.01253	3.2
59.15630	1.4
69.03330	4.8
71.13844	1.8
71.14152	1.8
93.03328	13.5
93.26455	1.5
96.37225	1.5
107.04902	4.3
108.05685	1.5
119.04922	100.0
119.08549	17.2
120.05247	5.9
123.08014	1.7
124.40515	1.2
125.09615	5.9
127.11168	3.1
135.08008	1.5
137.09630	27.1
147.04398	3.4
151.11188	2.6
155.10611	3.2
167.10631	3.5
171.10185	83.0
172.10471	4.4
183.10144	4.8
185.11748	21.7
189.09155	46.2
190.09436	5.1
195.10133	2.1
197.11755	4.4
201.11319	8.5
203.10698	25.0
203.74786	1.5
204.11096	2.4
213.11250	8.0
215.10687	2.2
229.19572	2.8
249.29582	1.5
273.18695	8.6
291.19681	27.0
292.19977	3.1
309.15073	3.2
309.20670	44.5
310.21118	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40370	0.6
57.03350	2.0
57.55144	0.7
59.01271	1.5
69.03341	1.0
69.42694	5.7
69.43120	1.3
71.04916	0.8
81.03330	1.0
81.31562	0.7
83.04923	1.0
84.76921	0.8
96.95890	1.7
97.02849	1.8
98.20584	1.6
107.04932	1.0
109.06512	1.2
123.08116	0.9
125.09612	2.1
135.08040	0.8
137.09651	3.4
155.14301	0.8
163.11214	5.9
165.09128	1.0
165.12775	10.2
165.92471	0.7
171.10231	3.3
177.12691	1.0
179.14383	1.7
181.12283	3.5
183.13885	1.8
185.11810	1.0
193.15907	1.4
204.11401	0.7
207.10260	0.9
209.11789	3.7
223.13324	2.7
227.12881	5.7
247.20659	7.9
264.29953	0.8
273.18668	2.6
291.19659	100.0
292.20026	8.7
309.20706	79.1
310.21045	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
59.11964	1.6
60.10789	1.8
69.03326	8.2
69.86626	10.6
83.04887	4.1
83.79588	1.7
84.02009	2.3
85.02821	5.7
95.04864	2.1
97.02828	80.9
98.03177	2.1
98.19825	2.9
111.08036	2.7
119.08531	6.3
123.25860	2.0
125.09589	3.5
137.09627	30.8
151.03903	5.8
151.07550	7.7
152.08356	10.9
153.08958	2.3
167.10669	2.1
171.10179	53.1
177.12802	3.4
185.11729	3.7
195.13831	3.3
209.15417	15.4
211.13271	6.5
221.11768	8.3
239.12852	9.0
252.10072	3.0
273.18594	6.3
291.19666	44.3
292.20026	3.6
309.17062	21.7
309.20694	100.0
310.17694	2.7
310.21048	8.2
317.10941	2.0
321.85599	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77649	1.3
57.03320	3.5
69.29450	15.9
69.34981	1.4
71.04894	18.9
76.40317	1.5
82.19368	1.3
95.04917	2.4
97.06477	6.1
107.04890	2.2
117.19500	1.5
119.08568	2.4
121.10118	11.2
123.08031	1.8
125.09607	10.6
129.22458	1.6
129.69469	1.4
135.26048	1.6
137.09604	21.0
147.08014	1.5
152.33162	1.6
167.30446	1.7
171.10184	47.6
180.15363	1.5
185.11784	15.1
197.11771	1.7
209.11823	1.5
214.33855	1.4
237.14865	5.0
247.20615	1.5
251.16522	47.3
252.16904	1.9
273.18610	2.3
291.19675	100.0
292.20108	6.5
309.20706	61.8
310.21078	4.2
312.73380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.7
59.01241	2.3
71.04889	16.3
71.44286	2.2
71.44613	2.1
71.67747	1.7
81.03328	2.5
92.97824	1.6
95.04928	2.4
97.06472	7.1
103.48077	1.7
119.08559	3.7
121.10126	10.7
121.61604	1.7
123.08058	2.7
125.09602	9.2
137.09616	23.1
141.12714	2.5
155.26337	1.7
171.10184	56.5
172.10469	2.4
185.11781	17.1
197.11777	3.5
237.14946	4.8
247.20592	3.6
251.16519	43.5
262.79861	1.8
273.18640	2.0
291.19672	100.0
292.19992	7.8
309.20703	71.7
310.21036	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	309.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
62.61411	0.2
67.16023	0.2
71.01259	0.2
71.59203	0.2
79.05393	0.5
79.42891	0.2
80.96393	2.2
91.05403	0.3
93.03338	9.0
96.95895	0.2
97.06490	0.2
107.04919	3.1
109.06474	0.6
116.07092	0.8
117.07392	0.3
119.04919	100.0
120.05252	3.4
120.25439	0.2
121.02853	0.4
127.83687	0.2
133.02850	0.5
134.03633	1.1
135.04463	0.4
137.09587	0.3
143.24419	0.2
145.10193	0.3
146.18594	0.2
147.04431	2.4
148.05177	1.2
148.49196	0.2
159.04420	1.1
160.05150	0.3
166.02650	1.5
171.08031	0.2
171.10190	0.5
173.05998	1.3
174.06749	0.6
177.09100	0.4
187.07469	0.6
189.09140	40.8
190.09467	2.7
197.11826	0.2
203.10716	19.3
204.11038	1.1
209.15359	0.2
211.13310	0.4
215.10724	1.5
238.06142	0.2
239.07071	0.3
265.07513	0.2
291.19620	1.9
309.10419	1.3
309.14816	2.2
309.20679	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.20224	0.6
59.01249	1.4
71.53852	0.7
71.54174	0.8
79.95612	9.7
80.96400	1.5
83.01285	0.8
95.95123	2.2
96.95892	99.8
97.06486	1.0
97.95813	0.8
117.14916	0.5
119.08434	0.6
121.02699	0.6
122.97451	3.6
125.09619	3.2
137.09616	1.8
141.09166	1.5
151.03889	0.7
151.07532	2.1
151.11166	0.9
152.08325	1.4
153.09163	1.3
171.10193	3.5
185.11763	1.1
200.10573	0.9
201.11214	0.8
209.15460	2.5
247.20602	1.7
263.20242	0.9
273.18488	1.3
291.19690	8.5
309.17392	100.0
309.20770	54.8
310.17752	7.2
310.21085	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
58.83838	4.0
59.01250	100.0
67.57467	3.0
67.66068	3.1
69.74612	23.9
71.01255	35.8
72.99172	5.4
85.02809	9.9
89.02322	36.7
95.01214	4.5
101.02309	27.1
111.04388	4.9
113.02309	15.4
119.03396	15.8
119.04860	4.1
129.05460	24.2
131.79973	3.6
179.05498	4.3
201.26277	3.0
237.05954	3.7
268.38138	4.1
272.33029	4.5
276.29575	3.3
291.19791	3.7
300.53723	3.4
301.25803	3.4
309.11917	81.0
309.20676	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	309.1192
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01763	2.2
57.03321	3.0
57.15397	1.4
57.77490	1.4
58.00445	3.0
59.01255	100.0
60.87337	1.3
70.57532	5.1
71.01260	40.8
72.99192	3.4
73.02816	2.1
75.00751	8.1
83.01266	3.3
83.04890	1.8
85.02818	11.9
87.00741	1.6
89.02321	38.5
92.40772	1.2
94.86407	1.4
95.01259	3.1
96.95895	7.7
97.65282	1.4
99.04422	2.0
101.02329	26.7
101.05957	2.4
111.04415	2.1
113.02348	15.6
119.03391	17.9
126.74863	1.6
127.05037	4.7
128.03403	7.2
129.05472	13.4
131.03362	1.9
132.57259	1.3
144.01270	1.5
147.06557	10.3
161.04437	2.0
170.99789	1.4
177.61969	1.4
179.05544	1.8
205.81351	1.9
207.00815	2.0
207.99199	8.9
237.06143	2.8
265.98041	3.9
309.11942	73.0
310.12323	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	309.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
63.72333	0.3
67.08131	0.3
70.98661	0.7
70.99036	0.6
71.01254	3.1
80.96394	100.0
81.96343	0.3
90.98451	0.4
96.99204	0.4
134.97461	2.1
144.83466	0.3
157.06555	0.3
178.96373	0.7
204.95952	0.3
227.12874	0.6
265.11127	6.2
291.19604	0.9
309.10135	10.8
309.20703	1.2
310.10248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16676	0.3
51.34941	0.3
59.01240	0.4
63.96110	14.7
64.96891	3.4
69.89308	1.8
71.01256	2.5
78.37274	0.3
79.95600	2.8
80.96391	54.8
83.88778	0.3
84.02035	2.6
90.98468	100.0
91.98834	0.7
96.99164	0.6
99.00787	0.4
121.06413	0.3
124.71001	0.3
125.09625	0.5
126.52035	0.3
127.11169	1.7
129.12733	0.9
134.97444	0.8
152.98544	3.1
178.96481	29.8
179.96776	0.8
227.12862	4.6
228.12914	0.4
291.19684	1.0
309.10129	22.9
309.17523	0.6
309.20309	1.6
310.10486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99447	0.6
59.01265	0.7
63.96111	15.5
64.96898	3.3
71.01266	3.0
71.59198	0.8
79.95598	3.0
80.96392	48.8
81.38351	0.6
84.02040	2.3
85.02799	0.7
90.98468	100.0
91.98816	1.0
94.39790	0.5
94.70388	0.5
96.95899	0.6
96.99138	0.7
97.02833	1.0
99.01519	0.5
121.02866	0.8
127.11192	2.8
129.12776	1.3
134.97560	0.7
152.98515	1.9
171.10147	0.8
178.96478	28.9
203.95297	0.6
227.12830	4.2
235.27863	0.6
250.57898	0.6
276.04465	0.6
291.19662	4.9
309.10129	22.2
309.17392	1.3
309.20648	4.1
310.10464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56965	0.1
58.36228	0.1
59.01253	0.8
64.03904	0.1
69.32452	1.8
71.01259	2.8
72.99171	0.2
79.95650	0.2
80.96395	100.0
81.96333	0.3
88.49387	0.2
90.27872	0.2
90.98484	0.5
93.03315	0.4
96.95911	0.3
96.99185	0.3
97.02792	0.3
97.70563	0.2
98.20535	0.3
119.08332	0.2
134.97488	1.6
164.74353	0.2
171.10190	0.4
178.96524	0.9
179.43866	0.2
201.71277	0.2
211.13289	0.3
223.07881	0.2
227.13017	0.2
249.11432	0.2
258.04068	0.2
265.11124	5.3
265.17743	0.2
266.11722	0.3
291.10196	0.2
291.19623	0.7
309.10147	10.8
309.14368	0.5
309.20593	2.0
310.10443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.01230	2.4
56.26282	2.5
57.03323	3.9
57.26728	2.7
59.01237	10.1
60.99952	2.5
70.23769	10.5
71.01260	4.1
83.04897	4.1
86.51540	2.5
97.06462	16.9
109.06483	6.8
111.08035	11.9
119.95547	2.7
123.04390	3.5
125.09595	3.1
137.09662	3.5
148.41707	2.9
149.09634	4.5
151.11205	21.0
153.09210	4.3
153.12730	4.2
155.10654	16.8
161.09673	5.3
163.11250	4.7
165.12787	16.5
167.10716	3.5
169.12201	3.4
177.12714	3.0
179.10695	6.7
181.12251	17.3
191.10654	4.8
191.14394	11.2
195.10336	3.2
196.84021	2.6
197.11775	5.6
205.12289	4.5
209.11783	35.7
211.13356	6.7
239.09259	6.3
245.19080	45.2
263.20184	10.3
271.16916	3.5
279.19623	3.9
289.18073	54.4
290.18301	5.0
307.19177	100.0
308.19431	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35278	1.5
57.03338	3.0
59.01257	9.6
70.13338	4.5
70.13756	2.7
71.04904	2.6
80.02570	4.1
81.03336	4.4
95.04913	4.6
97.02817	9.0
97.06470	3.6
106.04143	1.5
109.06470	7.4
121.06496	3.8
123.04401	6.1
123.08047	9.1
125.09604	1.7
135.04419	4.2
135.08058	1.3
137.09558	2.5
139.07634	1.7
139.11250	3.6
142.02649	1.3
145.06458	1.5
146.75897	1.3
149.09608	4.5
151.07553	2.6
151.11249	7.7
152.08266	1.2
153.09114	1.9
153.12785	3.8
163.11203	3.6
164.79146	1.3
165.12790	5.0
169.12175	1.5
171.10173	2.1
175.11168	2.4
177.12775	3.8
179.03452	5.0
185.11714	2.3
191.14308	8.6
199.13393	3.0
209.11803	8.7
217.15942	3.1
238.12134	1.3
245.19075	55.8
246.19492	4.4
246.36612	1.4
265.17999	2.0
271.17090	2.8
273.15164	1.8
289.18091	100.0
290.18338	8.0
302.61502	1.7
307.19144	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2281
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
69.26250	5.2
75.06693	0.5
96.95894	0.6
107.89496	0.5
129.67075	0.4
135.04404	1.2
145.67215	0.4
179.03459	1.4
213.14865	0.5
245.53566	0.5
307.22800	100.0
308.23135	8.2
311.27032	0.5
317.28763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
63.49885	0.4
71.01229	0.6
71.12965	0.9
74.47132	0.4
80.47739	0.4
83.67815	0.4
85.02829	1.8
100.25102	0.4
107.04909	2.5
108.02048	3.2
109.02813	0.7
111.00785	1.0
121.02833	3.2
122.03674	0.9
123.00771	0.6
124.01567	5.8
125.02367	3.1
126.03139	1.0
127.03893	0.7
133.02895	0.8
134.03685	2.9
135.04420	100.0
136.04735	8.0
137.02388	1.1
149.06020	0.6
150.03120	3.6
151.03931	10.8
152.04309	0.4
161.02396	1.0
163.03947	1.0
179.03406	7.5
180.03751	6.4
290.08075	0.5
306.43521	0.5
308.08765	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09689	0.5
56.40990	0.6
57.03315	0.5
59.01248	2.6
70.13580	2.9
70.13879	0.9
71.04887	5.0
80.02540	1.8
81.03325	1.9
83.04890	1.9
87.65664	0.5
95.04898	2.7
96.95882	0.6
97.02896	0.7
97.06509	1.1
98.03612	1.9
106.04073	1.3
107.04875	0.6
109.06475	16.7
111.04411	7.9
111.08053	1.5
112.05178	1.2
121.06436	0.7
123.08018	1.8
125.09607	2.1
127.07571	3.6
127.08404	0.7
135.04442	1.0
135.08054	1.1
137.05949	0.7
137.09579	2.6
143.10666	2.1
145.06474	2.2
149.05942	0.7
149.09546	0.9
151.11159	1.1
159.07983	0.7
159.27846	0.5
163.11147	0.8
167.10696	2.6
177.09145	0.7
177.12770	1.1
179.03433	1.8
179.10605	1.5
181.12303	0.7
191.14391	0.8
195.13817	3.9
235.13354	1.9
245.19095	7.0
246.19489	0.8
249.15012	0.8
251.16461	1.7
259.13214	0.6
269.15790	0.5
271.16959	2.0
287.16656	2.9
289.18082	100.0
290.18396	9.2
307.15652	1.2
307.19122	15.4
308.19403	0.9
310.72867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	8.3
59.01240	5.0
65.17059	1.5
67.17499	1.3
69.03327	3.8
80.02549	2.4
81.03326	5.9
83.01270	5.5
83.04890	4.9
83.38920	1.2
95.04893	5.7
97.02820	6.5
97.06461	12.6
109.06499	2.1
110.03638	1.4
113.05943	2.2
119.08504	1.8
121.06470	4.8
123.04429	9.6
123.08027	5.4
125.05972	2.1
125.09612	17.1
135.08029	2.3
137.05934	1.4
137.09639	15.0
141.12770	3.2
142.02629	2.0
149.06013	2.9
151.11130	1.8
163.07570	1.7
163.11179	17.4
165.09193	2.0
165.12747	3.7
179.10767	2.1
181.12228	3.3
185.10207	1.8
185.11786	22.2
189.12746	1.7
191.10715	1.9
191.14354	21.1
196.65434	1.6
207.10239	12.1
209.11797	29.4
210.40016	1.3
217.15936	3.2
225.11278	10.9
226.11890	2.1
227.18047	1.7
245.19092	48.1
246.19447	3.1
263.20242	3.0
271.17075	4.8
289.18109	100.0
290.18527	8.2
301.48703	1.4
307.19159	54.9
308.19446	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58860	2.8
50.94049	3.1
51.96560	2.9
55.01781	3.8
57.03312	9.7
61.98699	4.0
64.00964	3.6
65.03833	71.7
71.04890	43.1
71.54205	6.0
71.87065	3.1
72.18006	3.0
76.98174	3.6
83.04913	8.0
87.41302	3.2
93.03368	16.9
95.04944	4.3
97.06473	69.8
108.12848	2.9
117.06986	10.6
119.04907	21.3
119.08549	20.5
121.06489	100.0
123.08006	3.9
125.09619	48.4
135.08058	49.6
137.09610	7.7
169.08643	3.2
169.36002	3.1
171.10194	39.3
185.11757	84.3
187.07480	4.0
201.09184	13.7
209.11792	30.8
211.13327	37.9
233.15361	6.9
235.13359	90.3
236.13675	6.7
245.18936	4.4
249.15034	9.8
259.15515	3.8
259.53165	3.6
289.18097	61.3
307.13416	6.5
307.19061	42.8
308.19415	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23530	2.6
57.03328	13.1
59.01240	10.4
67.06862	2.7
69.03314	3.2
69.59081	21.1
71.01259	4.6
83.04897	3.9
86.07077	3.1
97.06465	17.7
109.06494	4.0
111.08032	11.0
115.63443	2.4
120.44565	2.7
121.06484	8.8
123.08099	3.3
125.09635	9.7
127.11177	2.6
135.08058	5.3
137.09557	3.4
149.09569	3.8
151.11209	27.5
153.09143	7.7
155.10693	10.9
163.11197	4.7
165.09021	3.0
165.12750	28.2
166.09882	3.3
167.10712	3.5
169.12399	3.0
171.10152	18.4
177.12772	5.2
179.10710	5.8
181.12277	26.7
185.11783	21.8
191.10715	10.8
191.14342	10.5
209.11761	45.5
211.13397	12.5
239.09268	3.4
245.19069	39.0
260.10095	2.8
261.18701	3.7
262.59128	2.9
263.20129	14.9
271.16998	2.9
279.19769	7.7
289.18085	59.6
289.21069	4.6
307.19183	100.0
308.19568	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41520	1.3
55.01761	4.1
57.03326	3.9
58.45277	1.3
65.03835	61.1
67.52141	1.3
69.03338	1.6
70.92188	4.6
71.04894	34.9
78.99824	1.9
83.04906	1.7
95.04919	1.8
97.06470	59.5
98.06761	1.4
103.72263	1.3
119.08546	14.9
121.06486	100.0
122.06830	3.4
123.08088	2.7
125.09613	46.4
135.04428	4.4
136.68535	1.4
137.09625	6.4
141.12814	1.5
171.10248	2.6
179.03442	4.4
185.11760	80.8
186.12137	3.9
209.11752	35.7
209.13763	1.9
210.12245	1.7
211.13335	35.8
212.13728	2.3
217.12071	1.7
235.13361	87.8
236.13696	5.3
245.19032	2.8
247.17010	1.8
279.19641	2.3
284.35681	1.6
289.18140	19.2
290.18460	2.8
307.19092	31.2
308.19583	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	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24889	0.3
59.01246	1.9
71.01239	0.5
81.03390	0.4
85.02827	1.0
87.00761	0.3
91.05433	0.4
107.04893	1.4
108.02043	1.7
109.02827	1.9
111.00720	0.5
113.27048	0.3
116.36512	0.3
120.84261	0.3
121.02837	1.2
123.00719	0.3
123.22179	0.3
124.01533	2.7
125.02298	1.5
126.03121	0.4
127.03912	0.5
133.02876	2.6
134.03687	2.7
135.04413	100.0
136.04723	2.3
137.02332	0.6
150.03122	1.7
151.03923	5.1
161.02351	4.7
161.06056	0.4
163.03893	0.5
178.02696	0.4
179.03416	61.7
180.03743	2.4
181.04863	0.4
245.08307	0.4
285.32599	0.4
289.07123	1.1
290.07941	0.5
307.08249	9.7
308.08609	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
56.28157	0.6
58.00465	1.8
59.01252	52.0
60.01561	0.7
67.99393	0.7
69.85138	4.1
71.01257	23.3
72.99188	1.8
73.02818	1.8
76.43172	0.6
83.01271	2.1
85.02834	5.8
87.00780	1.0
89.02320	17.9
95.01268	2.3
97.50258	0.6
99.08035	25.7
101.02328	13.2
103.88273	0.7
113.02330	6.9
119.03389	6.9
127.07545	2.1
129.09119	2.9
131.70663	0.7
141.09094	2.1
143.03448	0.9
145.08612	61.1
146.08920	2.0
179.05537	0.9
187.09775	1.7
307.13980	100.0
308.14453	4.6
326.60001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03329	2.3
59.01250	6.6
69.03332	0.9
70.11234	4.8
71.04892	49.3
80.34361	0.8
80.34884	0.8
81.03336	4.3
83.04891	2.2
90.05911	0.9
93.03323	2.9
93.06952	0.9
95.04902	19.9
95.86628	0.8
96.05224	1.1
97.06462	1.9
106.04121	2.7
107.04930	2.9
108.02027	1.1
109.06477	16.5
110.06801	1.0
111.04406	2.4
111.92477	0.9
119.04916	2.8
121.06472	6.9
123.04425	1.2
125.09588	1.4
127.07544	2.2
128.34695	1.0
135.08098	4.2
139.07590	1.1
141.01556	0.8
147.04434	1.6
147.08113	5.4
149.06035	1.3
149.09694	1.2
150.06735	1.9
153.09123	1.7
161.06003	3.5
161.09685	1.9
164.08316	2.2
165.09155	12.3
179.14326	1.2
189.12769	18.0
190.13121	1.2
203.14423	1.1
205.15935	11.9
206.16290	1.4
231.13774	2.4
233.11803	10.0
243.17474	10.9
245.15366	1.5
249.14917	15.2
250.15480	1.1
258.51007	1.1
261.18652	2.9
269.15445	2.8
269.46317	0.9
287.16528	89.3
288.16888	7.4
289.14438	1.3
305.17596	100.0
306.17944	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
71.58073	3.9
77.88964	1.5
86.60437	1.8
130.08658	1.4
144.87447	1.7
159.10518	1.5
261.07623	2.0
305.24844	100.0
306.25171	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	306.1711
Annotation	6-Hydroxydendroxine
Peak:m/z	Relative Intensity
51.70931	0.3
55.01757	0.4
59.01237	0.4
64.55868	0.3
64.56267	0.3
70.94739	0.8
71.04893	0.9
71.55166	0.3
73.02827	0.8
77.84071	0.3
79.21392	0.3
79.71415	0.2
80.02552	0.3
85.02830	1.1
95.04967	0.4
105.05744	0.8
113.62935	0.3
115.03899	2.8
119.07275	1.0
121.06473	0.3
123.08118	0.3
125.09576	1.4
132.08092	0.7
134.09650	51.3
135.04396	1.1
135.09975	1.7
137.09616	1.1
148.11267	0.6
160.07610	0.5
161.08357	0.8
164.46082	0.3
172.11192	0.7
175.09912	2.1
179.03403	0.5
187.77927	0.3
189.11487	3.1
190.12296	100.0
191.12653	6.0
204.13837	1.3
226.15948	0.4
232.17072	1.9
244.17014	5.6
245.17320	0.4
262.18314	0.5
288.16818	1.2
289.18008	0.9
306.17111	34.3
307.17572	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	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.4
59.01242	2.4
60.20105	1.0
61.46360	0.8
69.03320	1.3
69.54209	3.0
69.54640	4.1
71.04889	32.6
80.02555	1.0
81.03302	2.2
86.79163	0.8
93.03320	2.5
95.04906	13.8
97.06476	1.6
97.31657	0.9
106.04105	2.7
107.04891	1.6
109.02879	1.2
109.06473	12.6
121.06500	5.0
122.03639	1.7
123.08058	2.1
125.09644	4.5
127.07606	1.5
135.08057	13.2
136.05164	1.0
139.07562	1.2
147.04433	1.9
147.08060	2.4
148.35783	1.0
149.05994	1.0
149.09616	1.5
150.06822	1.5
153.09154	1.3
161.06021	3.3
161.09601	1.8
162.06776	1.3
165.09131	10.1
179.14299	1.0
185.11763	2.8
189.12781	11.2
203.14386	1.3
205.15901	8.2
233.11845	5.7
243.17494	10.3
244.18034	1.2
245.15309	1.0
249.14922	12.0
261.18570	2.3
263.16592	1.5
269.15540	2.3
287.16531	66.9
288.16830	6.3
289.14584	1.0
305.17578	100.0
306.17896	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10845	1.5
57.03330	2.0
59.01250	4.1
65.03832	2.3
71.04885	7.3
71.54916	2.0
79.05399	12.2
83.04887	2.4
88.85510	1.5
93.03327	2.2
95.04913	3.1
97.06458	13.9
106.04138	10.6
107.04890	4.7
109.06490	2.3
117.06942	1.4
119.04914	1.5
120.05702	4.4
121.06512	6.5
123.08039	5.7
125.09612	19.8
133.06494	1.4
135.08058	100.0
136.08391	4.8
137.09575	3.1
151.11186	2.8
157.08650	1.3
163.11172	3.0
170.43356	1.4
183.10220	1.3
185.11769	2.8
189.12813	2.2
205.15904	5.4
207.10133	2.3
209.11777	5.3
221.11678	3.1
231.13812	2.6
243.17506	5.2
249.14923	54.7
249.17506	3.1
250.15279	3.7
261.18408	2.1
263.16473	1.8
287.16501	14.7
288.17108	2.2
305.08228	2.0
305.17575	84.9
306.17896	7.7
312.23032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1143
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
59.01261	2.8
60.51420	0.3
63.90162	0.3
65.99731	0.5
68.99694	0.5
69.03321	0.4
69.43295	1.8
69.43723	1.0
70.23085	0.4
71.01253	1.3
82.02850	4.4
85.02846	0.7
87.00755	0.3
89.02352	0.4
92.04948	0.5
92.82917	0.4
94.02870	2.0
95.24105	0.3
96.04431	5.6
96.24143	0.3
97.02808	0.6
98.19682	0.3
101.02320	0.8
120.03642	0.3
120.04482	1.3
122.03628	5.5
122.06019	2.0
136.03938	1.0
138.05513	100.0
139.05876	3.6
145.08635	0.5
149.04764	0.6
150.05556	0.7
174.05505	0.8
188.07121	0.9
190.08661	0.9
202.08672	0.9
214.02603	0.4
216.10297	0.9
217.06160	0.9
218.06866	2.1
218.11868	1.7
233.09299	3.8
244.09724	1.2
245.09415	0.4
261.12436	7.1
287.10455	0.8
305.11417	9.2
306.11728	0.6
324.42987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1395
Annotation	14-Hydroxyplatensic Acid
Peak:m/z	Relative Intensity
55.01730	2.1
57.03296	3.3
59.01261	10.8
59.01499	2.2
60.10529	2.2
64.02685	2.3
66.39452	1.9
66.42616	2.5
68.93012	2.1
69.03318	2.9
69.66362	1.9
71.01253	3.7
71.04876	2.9
71.58571	3.7
79.05403	5.2
79.42258	2.0
81.03352	1.9
83.01254	14.0
83.04901	5.6
83.70609	2.0
86.98221	2.0
89.70543	2.0
93.03318	2.4
93.06969	5.2
95.04896	4.6
96.95851	3.4
97.06469	8.2
99.04348	2.9
101.02272	2.0
105.06986	2.1
107.04910	42.9
108.02061	2.8
109.02853	14.9
109.06444	3.2
111.04422	2.6
119.08547	7.1
121.06457	3.9
122.03633	3.4
123.04413	14.2
123.08064	2.9
125.05973	91.8
126.06263	4.1
135.04405	20.6
136.05180	5.8
138.06769	3.1
139.07483	3.4
143.08627	2.9
144.05690	2.4
145.06447	7.2
149.05977	10.2
151.03929	4.4
151.07527	9.4
152.08267	2.1
153.05478	11.7
159.08083	5.8
159.11736	4.0
161.05995	6.0
161.09653	21.3
163.07503	3.1
165.09123	17.3
171.08054	4.9
172.05165	2.7
173.05956	2.8
173.09657	2.9
175.11189	3.5
176.08438	2.4
177.09026	3.9
183.11757	3.5
185.09633	5.7
187.07570	10.1
187.11124	3.8
188.08275	7.9
189.05515	11.8
189.09096	8.1
198.06789	2.6
199.11159	2.7
199.14848	11.4
201.09137	3.9
201.12781	45.4
202.09889	7.1
202.13072	3.0
203.10712	28.8
205.12097	2.5
209.09610	2.6
213.09184	11.7
213.12775	4.7
215.10722	6.6
217.12320	6.4
225.12753	5.7
227.10690	20.4
228.11528	39.5
229.08568	2.6
229.11908	3.8
230.09427	14.7
241.12222	2.8
243.10118	5.5
243.13882	69.4
244.14304	4.1
245.11810	86.4
246.12161	6.3
247.09749	2.9
259.13351	10.7
259.27176	2.3
261.14868	6.0
269.11865	4.2
272.10635	10.8
277.14465	4.6
287.12897	100.0
288.13174	9.3
305.13922	51.5
306.13950	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	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.3
57.03313	2.1
59.01250	45.7
67.58562	1.4
69.33597	9.6
69.34026	5.3
73.02820	100.0
74.03149	2.2
83.01249	1.8
93.86770	1.6
107.52041	1.5
121.02824	2.0
125.02351	11.7
125.09589	2.7
137.02350	11.5
167.03305	3.6
169.08620	1.7
177.01869	2.5
181.12259	2.0
199.13335	91.0
200.13618	4.3
225.11232	1.7
243.12349	26.1
246.84256	1.6
285.03979	7.1
303.08661	3.0
303.14395	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	303.233
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
72.46083	0.8
137.88051	0.9
142.52658	0.9
169.95561	0.8
225.25694	1.0
241.23189	1.1
293.70682	1.1
303.05038	0.9
303.23303	100.0
304.23621	9.2
323.04401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	41.2
67.20139	1.1
70.33157	1.1
70.69137	1.3
70.71086	4.4
96.13239	1.2
112.57655	1.3
168.13857	100.0
169.14162	3.8
211.70013	1.8
212.12868	2.8
290.67334	1.3
298.56177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2284
Annotation	Samandarine
Peak:m/z	Relative Intensity
52.23518	0.4
56.69044	0.4
57.82567	0.4
58.02855	0.8
59.01265	0.7
69.64838	3.3
74.85949	0.4
86.05990	41.8
87.06335	0.6
95.38012	0.5
106.68538	0.5
130.04990	1.5
144.59912	0.5
157.31017	0.5
168.13831	1.6
205.37762	0.5
205.76636	0.4
242.27675	0.4
262.21753	1.2
304.22818	100.0
305.17676	1.0
305.23196	9.4
318.80426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
57.03333	9.4
59.01256	2.7
59.18163	1.3
68.99686	1.4
69.03333	5.3
70.92683	3.4
71.01256	4.8
81.03340	6.2
83.01257	11.1
83.04909	2.3
85.02801	2.1
93.03342	4.5
95.01255	10.2
95.04897	9.7
95.17769	1.3
96.95854	1.6
97.02828	11.0
99.00756	24.0
99.04394	5.6
105.03313	1.2
107.04890	2.2
108.02058	2.5
109.02840	51.5
110.03175	2.3
111.00769	32.7
111.04420	2.9
112.01179	1.3
113.02329	4.0
113.05944	2.0
119.04937	2.0
121.02834	11.1
123.00790	11.0
123.04415	23.0
124.01540	5.3
125.02343	65.8
126.02675	2.6
128.03423	3.8
131.04982	1.6
133.02837	9.9
135.04385	10.1
137.02345	38.5
137.05911	2.3
138.03094	4.5
138.99246	2.6
139.00267	37.8
139.03906	13.5
140.01074	7.7
141.00836	2.2
141.01788	10.0
143.04561	4.1
146.03630	1.5
147.04413	3.2
149.02333	14.4
149.05981	4.6
151.03937	9.8
153.01860	6.0
155.03387	1.7
158.03517	1.7
159.04424	8.0
161.02345	30.6
162.03117	12.0
163.03952	6.9
164.01071	5.4
165.01871	16.1
165.05472	5.7
167.03403	13.0
173.05998	3.3
174.03125	2.2
175.03889	5.8
175.07454	1.4
176.04611	1.4
177.05478	10.2
179.03391	8.7
181.04945	1.9
191.07053	1.7
195.02913	3.5
201.05453	4.3
203.03404	6.7
204.04131	2.5
205.04980	5.5
217.04996	3.1
219.06566	14.2
221.04527	3.2
243.06578	6.6
259.06018	3.6
261.07678	3.7
269.04514	3.2
287.05618	16.1
305.06662	100.0
306.07050	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.65157	1.9
69.65566	3.3
73.02817	7.8
81.59137	0.7
84.02073	1.2
122.14706	0.7
139.11185	1.7
163.11209	1.0
181.12329	2.1
183.10211	1.8
190.82338	0.8
199.13347	15.4
243.12347	71.3
244.12666	4.1
279.07004	0.7
281.13397	0.7
295.79578	0.7
303.09219	0.8
303.14401	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	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79248	2.2
51.30382	2.0
53.29832	2.2
57.03318	6.4
58.80280	2.1
59.01252	78.2
60.18921	2.1
60.94514	2.2
69.33472	12.7
69.33900	8.6
71.01253	3.3
73.02819	84.4
81.03336	4.4
83.01290	5.6
93.03376	2.6
93.66793	2.4
96.95910	3.4
97.02856	5.7
109.02849	7.0
121.02852	3.6
122.03625	2.9
123.04446	3.5
125.02336	38.2
125.09629	3.2
129.01872	2.5
137.02348	20.0
141.01733	2.2
149.02307	4.0
151.00340	2.8
151.03899	4.5
153.01857	2.4
165.01854	3.4
165.05522	2.4
167.03452	11.3
175.03905	7.0
177.01839	3.8
181.12183	3.5
183.10237	2.9
189.05481	2.6
192.99512	2.4
199.13338	100.0
200.13657	5.5
201.11368	3.3
208.41118	2.2
217.05083	4.0
241.04979	2.7
243.12363	23.3
252.96312	2.8
261.13461	3.1
285.04089	16.8
286.04385	2.8
303.08847	5.7
303.14169	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	303.0875
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
50.28931	2.0
54.90825	1.8
59.01250	7.0
63.80894	1.8
69.03318	3.5
70.19833	4.5
70.20221	3.9
81.03334	2.7
83.01251	10.8
93.03307	2.7
95.04904	5.7
97.02828	36.7
97.03404	3.3
108.02024	2.9
109.02837	7.1
121.02841	9.3
122.03663	10.7
123.04429	5.7
124.01633	1.8
125.02369	5.0
137.02357	72.7
138.03119	5.6
139.03870	7.0
150.03137	4.0
151.03918	3.1
161.02440	2.6
163.03920	2.5
165.01843	9.2
165.05531	4.4
166.02646	4.0
167.03418	3.0
200.04684	2.0
201.05534	6.5
202.06351	5.6
204.04268	4.5
217.08720	6.1
219.06540	9.7
220.07402	13.1
226.06361	2.3
235.09680	7.4
243.12392	5.0
244.07515	8.6
259.09671	8.8
261.07599	2.4
269.04532	2.3
270.05255	2.7
285.07681	7.7
288.06418	2.6
303.08755	100.0
304.09155	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	303.0875
Annotation	4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
59.01253	4.4
66.57299	1.9
68.18487	1.8
69.03333	5.7
69.26608	11.5
69.27039	7.7
69.30177	1.8
70.91312	1.5
72.99606	1.8
81.03313	3.2
83.01252	9.3
93.03313	3.6
95.04902	10.2
97.02829	44.4
99.04409	2.8
107.04948	3.2
108.02081	4.8
109.02843	8.2
121.02846	9.4
122.03622	14.1
122.06032	3.5
123.00817	2.2
123.04420	5.6
124.01551	4.3
125.02335	8.9
136.01512	1.8
137.02350	43.2
138.03122	5.5
138.05513	13.1
139.03928	7.0
141.01831	3.3
145.02901	2.3
146.02400	5.8
146.06004	5.8
148.01558	3.3
149.02380	4.5
150.03119	2.5
151.03957	6.1
160.05243	3.7
161.02350	5.1
163.03960	5.2
164.01050	2.6
164.07094	4.8
165.00711	2.0
165.01871	11.4
166.02655	5.2
174.03265	2.1
179.03360	2.5
183.04327	2.7
201.05537	5.8
202.06334	9.3
204.04233	7.2
217.08635	5.5
219.06593	9.2
220.07326	20.6
220.68431	1.7
226.06360	3.2
231.04053	4.3
235.09789	7.9
241.05074	3.0
244.07391	14.0
258.60013	2.1
259.07401	3.0
259.09973	7.3
261.07703	4.1
269.04495	3.9
270.05252	3.8
285.04422	4.0
285.07742	13.3
285.12601	3.3
303.05972	9.5
303.08829	100.0
303.13870	6.4
304.09149	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
55.80352	0.6
56.26155	0.6
57.37043	0.5
70.34081	1.7
74.71555	0.6
74.98959	0.7
75.48539	0.6
78.04535	0.6
79.64872	0.6
91.02090	0.8
131.92613	0.6
134.99298	7.6
136.97237	2.9
140.21881	0.6
159.08411	2.1
161.06311	6.8
185.53224	0.6
203.05588	4.2
205.03496	1.2
215.05667	1.8
217.07178	85.6
218.07301	5.4
220.42937	0.6
261.06320	1.0
285.13480	36.1
286.13705	3.3
301.16614	100.0
302.16766	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	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.5
55.68275	1.0
56.03600	0.9
57.03313	4.6
59.01231	1.1
62.80589	1.2
64.23658	1.2
65.00194	2.1
67.01757	3.3
68.99702	2.3
69.03320	1.9
69.76909	2.0
69.77333	4.8
71.01261	2.3
75.65984	1.0
81.03328	7.5
82.57381	1.1
83.01265	6.8
85.02812	6.2
93.03339	5.5
95.01279	3.8
95.04899	1.0
96.99189	2.7
97.02824	7.6
99.00749	17.3
99.04385	2.3
107.01222	1.4
108.02047	3.9
109.02839	32.7
111.00771	21.7
113.02338	2.5
117.03326	1.8
119.04903	1.6
121.02854	8.6
122.03659	1.3
122.06022	1.1
123.00794	10.2
123.04436	6.2
124.01566	3.1
125.02341	100.0
126.02655	3.4
127.00288	5.0
133.02843	4.5
135.04416	4.0
137.02353	43.6
138.03163	9.2
139.00272	23.3
139.03914	6.1
140.01070	2.6
141.01846	63.3
142.02174	1.3
143.04854	1.7
145.02849	2.9
145.06499	1.8
146.03595	3.0
147.00763	1.4
147.04427	9.3
149.02374	15.0
149.58636	1.1
150.03093	1.0
151.00266	2.6
151.03903	4.7
152.01074	4.6
153.01848	64.0
154.02179	2.6
155.04967	1.7
158.03653	1.3
159.04436	4.9
160.01540	1.2
161.02373	27.6
161.05989	5.6
162.01442	1.1
162.03088	5.2
162.05453	1.2
163.03902	4.9
164.01082	2.9
165.01845	11.2
166.02621	6.1
167.03461	8.4
169.06525	1.3
171.04372	5.0
172.05174	2.7
173.02351	4.3
173.06035	4.1
174.03189	7.2
175.03931	31.7
176.00989	1.2
176.04301	2.0
177.01886	14.4
177.05515	1.2
179.03447	1.4
180.00616	5.4
181.01372	6.1
185.06036	1.9
187.03941	3.5
188.04663	2.3
189.05501	8.6
191.03482	3.7
193.01385	2.0
193.05016	2.3
194.02199	1.7
195.04338	1.4
197.05922	1.9
198.03143	2.6
199.03897	7.8
200.04472	1.1
201.01877	6.7
201.05499	1.2
202.02487	2.8
203.03494	6.3
205.05057	2.9
213.01962	1.2
213.05504	4.8
214.02727	1.1
215.03462	5.4
216.04219	3.9
217.05031	21.4
218.05457	1.5
219.02974	1.4
223.03897	1.8
229.05023	1.7
231.02939	2.8
231.06590	4.4
233.04546	2.2
235.06079	7.0
241.05057	7.3
242.02219	1.4
243.02956	3.0
257.04526	11.9
259.06174	6.3
261.04050	1.8
275.05673	2.5
277.15659	1.2
285.04077	21.3
285.12381	1.9
286.04492	1.4
303.05109	38.3
303.08572	2.1
304.05588	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23072	0.2
58.00445	0.2
59.01248	0.7
63.31017	0.2
66.98998	0.2
69.39376	0.2
69.39672	2.2
71.01234	0.2
71.58630	0.2
72.99532	0.2
74.54846	0.2
89.02332	0.5
90.64033	0.2
91.03891	0.7
101.61281	0.2
111.08100	0.3
165.12773	3.6
181.39182	0.2
183.13834	100.0
184.14168	5.1
184.15695	0.4
209.11794	1.9
227.12857	5.2
228.13321	0.3
300.99957	0.4
301.07065	0.4
301.11127	0.4
301.16580	7.0
302.16962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.3
58.23100	1.0
59.01255	6.4
69.74010	4.8
69.74409	1.7
71.01255	18.4
83.45138	0.9
87.00755	1.3
89.02316	1.8
93.03336	1.6
116.43445	0.9
121.02844	1.7
135.04413	3.5
161.02417	1.2
161.05962	2.3
165.05521	1.5
165.12798	5.4
173.04303	1.1
179.07028	1.3
183.13792	8.6
191.05618	1.0
193.12126	1.1
197.15451	1.0
209.11768	2.3
211.13339	100.0
212.13646	5.4
213.14951	3.7
223.13423	1.6
227.12878	1.1
235.13435	1.2
241.14435	15.5
242.14813	1.3
247.13402	1.1
253.14377	3.4
255.16023	3.7
265.14465	4.4
271.15503	1.4
300.99939	2.2
301.03149	1.2
301.11002	1.1
301.16690	1.8
301.19998	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39320	0.6
58.60902	0.6
59.01257	0.6
66.60228	0.5
71.58720	0.7
71.59125	0.9
80.02555	2.0
81.03321	1.2
83.04897	4.2
84.02029	1.2
93.03362	0.7
95.04922	1.0
96.95870	1.6
107.01293	1.0
111.00797	1.0
119.04924	1.1
121.02863	0.8
131.26485	0.6
135.08072	0.8
136.01619	0.7
139.00328	1.1
139.03917	0.7
151.00282	0.8
163.11209	4.1
165.12811	2.3
191.10710	1.1
199.13322	1.9
209.11769	100.0
210.12131	4.6
227.12859	10.5
228.13232	1.2
257.12625	0.7
301.00159	0.8
301.03537	1.9
301.11584	0.9
301.16724	1.1
301.20081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1595
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
59.01247	0.5
63.66693	0.6
65.00169	0.6
69.74463	0.6
84.59367	0.5
111.98997	0.6
123.00768	0.8
134.99287	0.9
151.00291	1.3
161.06308	0.7
203.05678	0.7
217.07167	10.3
229.89684	0.7
242.56969	0.6
271.11279	12.0
272.11615	0.9
285.13498	5.3
286.13651	42.9
287.13937	3.8
300.99789	2.1
301.03427	2.4
301.16034	100.0
302.16388	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	301.1599
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
51.00683	0.3
53.68094	0.4
69.33146	2.3
69.33574	1.8
123.00814	0.7
141.89944	0.4
151.00284	1.2
217.07092	2.0
258.73224	0.5
268.35925	0.4
277.28110	0.4
285.13309	0.6
286.13638	1.7
299.14575	0.5
301.00000	0.9
301.03592	1.3
301.15997	100.0
302.16312	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42385	0.2
53.05109	0.2
57.91753	0.2
59.01242	0.6
68.61845	0.2
69.90801	0.7
69.91216	0.7
74.65371	0.2
89.02299	0.3
91.03885	1.0
98.19823	0.2
100.93749	0.3
119.04913	0.5
165.12732	3.4
183.13829	100.0
184.14180	5.0
209.11771	2.1
226.63428	0.2
227.10732	0.5
227.12831	4.9
228.13275	0.2
301.16507	6.8
302.16748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0565
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
53.83143	0.5
69.03339	2.4
69.71338	2.8
72.28728	0.4
81.03351	0.9
83.01273	1.0
91.21571	0.5
94.97368	0.5
95.01263	1.2
97.02834	3.0
98.65493	0.3
107.01265	1.2
114.34582	0.3
123.00783	4.5
124.01562	18.1
125.02341	48.9
126.02672	1.6
137.02312	0.5
144.56526	0.4
149.99495	28.8
151.00128	2.4
168.00558	62.9
169.01292	6.1
283.04578	5.3
301.05652	100.0
302.05988	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	301.0565
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
56.73215	0.5
57.38154	0.5
69.03335	2.9
69.75858	3.4
81.03334	1.2
83.01281	1.8
95.01259	0.9
97.02831	2.7
107.01272	2.1
118.77562	0.5
123.00771	4.1
124.01556	18.0
125.02338	61.4
126.02679	2.2
149.99498	30.4
151.00285	3.4
167.03404	0.7
168.00555	84.1
169.01303	9.5
174.13196	0.6
191.28453	0.6
230.82608	0.6
283.04590	8.0
283.61371	0.6
284.05005	0.8
294.51208	0.5
301.05643	100.0
302.05988	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.0
59.24902	0.5
68.01302	1.3
70.92831	1.2
71.01249	1.8
89.02308	1.7
90.02641	0.7
93.03335	1.5
94.03689	0.7
98.00564	2.5
98.11890	0.5
100.00260	3.3
108.02118	0.6
114.02684	0.5
119.03395	0.8
119.04885	0.6
120.05271	1.0
122.02359	0.6
123.03153	15.3
123.98537	1.4
124.00642	0.6
137.02371	1.3
137.04723	0.8
138.02655	1.6
138.05508	100.0
139.05891	2.6
152.07066	0.8
155.02757	1.8
165.04079	0.6
166.84895	0.4
167.05783	0.5
180.06602	1.6
181.00671	1.1
199.01785	1.4
300.11032	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	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	62.2
60.36036	4.6
71.36031	6.0
71.36341	7.6
96.95895	9.5
117.00313	15.2
129.22670	5.7
132.32838	4.6
136.54469	4.8
159.01389	68.3
201.02432	14.6
258.87427	14.9
259.88013	6.5
269.57745	5.9
272.85648	5.9
273.86063	7.2
276.88455	100.0
277.88544	9.8
291.87241	36.8
300.88589	8.6
300.94046	6.0
301.02643	14.6
310.56848	5.0
318.89600	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	299.1654
Annotation	(-)-Centrolobol
Peak:m/z	Relative Intensity
52.66982	0.8
57.03330	1.1
59.00986	1.5
59.01253	14.8
71.58468	0.9
82.96069	0.8
93.03345	3.1
95.04905	1.6
97.02747	1.0
97.06495	4.7
106.04112	2.1
107.04941	0.9
107.32233	0.9
109.06483	3.2
119.04921	100.0
120.05261	2.8
120.09119	0.9
121.06451	0.9
131.04953	1.6
132.05673	1.1
132.13618	1.0
132.98061	1.0
137.09615	0.9
138.05478	1.2
149.09650	8.7
161.09729	0.8
163.11293	1.1
174.97888	0.9
174.99147	5.3
175.11180	1.2
177.09076	1.1
207.10205	5.2
217.00252	16.7
225.11298	6.0
225.23894	1.0
229.12292	14.2
230.12601	1.2
241.12312	9.1
267.06610	4.1
269.15524	3.9
279.13885	1.8
281.15503	21.1
282.15836	2.8
299.09290	1.4
299.16531	9.9
299.25711	1.8
310.21625	0.9
313.44357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2017
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
51.92189	0.2
57.76115	0.2
59.01247	0.3
60.64815	0.2
64.70028	0.2
64.96918	0.2
77.22948	0.2
78.96916	0.3
78.97363	0.2
165.22369	0.2
180.75139	0.2
207.10219	0.2
216.20482	0.3
217.00278	0.2
229.46916	0.3
235.42152	0.3
299.20160	100.0
300.20508	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	299.1652
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
53.18451	0.8
58.85326	0.8
59.01249	6.5
64.31886	0.8
71.59064	0.8
80.02543	10.1
81.03329	8.0
83.04898	1.1
90.41627	0.8
91.48122	0.8
93.02758	1.9
93.03336	31.5
106.04128	51.0
107.04944	8.4
119.04929	12.7
121.06483	2.0
132.05711	1.9
135.04416	1.9
137.02286	0.9
138.05502	0.8
141.98901	0.8
147.08058	2.9
149.05989	70.1
149.09631	32.1
150.06300	2.5
150.09996	0.9
174.99051	1.1
175.11203	100.0
176.11545	3.7
177.01891	1.2
179.03445	1.9
199.70761	0.8
206.53899	0.8
207.10120	1.6
209.12927	0.8
211.07549	0.9
212.08377	6.9
217.00255	5.8
225.11336	1.8
227.07007	1.4
281.15475	16.7
282.15866	1.6
284.06824	1.6
285.07230	0.8
299.05515	4.7
299.09058	1.1
299.13135	1.3
299.16422	2.6
299.25653	1.0
300.06415	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
59.01248	2.9
71.04888	2.5
75.59944	0.8
83.04907	1.3
87.00761	5.6
88.71697	0.7
94.29816	0.9
97.02848	7.5
97.06474	2.7
99.00758	9.1
101.25313	0.7
102.72894	0.9
109.06477	2.0
110.03603	2.3
112.61636	0.9
119.04927	2.6
123.04439	1.0
123.08071	1.9
125.09624	11.5
135.08022	1.4
136.05183	1.5
138.05481	1.3
142.02614	4.4
149.02277	1.3
151.07581	0.9
163.11188	7.9
179.03439	1.3
181.12273	19.0
182.12589	1.3
196.23015	1.1
207.10219	53.9
208.10527	1.8
209.15434	1.2
225.11285	100.0
226.11623	7.0
281.14011	1.1
284.06973	1.0
299.09308	3.7
299.15057	18.4
299.18457	0.9
300.15430	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	299.1501
Annotation	Dendronobilin M
Peak:m/z	Relative Intensity
57.03316	0.8
59.01208	4.4
69.03283	0.6
70.02350	0.6
71.04849	2.6
97.02827	7.5
97.06447	3.1
99.00178	0.8
99.00758	10.6
109.06440	2.5
110.03578	1.9
112.70220	0.6
119.04916	0.7
123.08022	1.2
124.41721	0.5
125.08758	1.1
125.09623	11.8
130.27646	0.8
135.08031	1.5
136.05186	1.7
137.02310	1.3
142.02632	3.6
163.11221	8.1
165.05539	0.6
181.12270	17.6
182.12671	0.7
187.43512	0.6
197.11783	1.4
207.10208	57.0
208.10535	3.2
225.11288	100.0
226.11635	5.9
255.16022	1.5
299.05701	0.8
299.09698	1.4
299.15067	21.7
299.18384	1.1
300.15228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01245	4.5
71.01248	3.0
71.58329	1.1
73.02792	0.8
84.93228	0.8
89.02297	1.5
101.02314	1.2
113.02313	1.5
119.03385	1.3
125.09557	0.9
127.11198	2.0
169.39227	0.8
171.10210	8.2
183.01135	13.4
184.01590	1.7
216.00864	1.2
273.62753	0.9
279.23315	11.1
297.06158	1.0
297.11923	1.6
297.15314	25.1
297.24350	100.0
298.15640	2.5
298.24744	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58537	4.0
59.01235	20.6
63.96112	39.7
69.80501	4.0
70.92638	9.8
70.92973	8.6
71.01257	12.5
72.99177	44.0
73.98188	6.8
74.98976	17.7
80.96449	4.5
85.02829	7.3
86.24060	4.1
87.04420	4.3
87.87215	4.5
88.03938	13.2
89.02338	12.1
91.44353	4.0
101.02320	8.7
111.16526	4.8
113.02335	8.0
113.17447	4.5
117.97198	25.7
125.50347	4.6
132.02927	21.7
135.98260	100.0
136.99031	14.4
137.02336	9.2
138.89119	4.3
144.65952	4.7
166.04933	5.5
213.48079	4.9
319.54611	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	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
57.34241	0.5
59.01256	7.2
59.12872	0.6
69.13319	0.6
69.61935	0.6
71.01256	5.5
73.02837	0.6
83.01260	0.6
84.09067	0.5
85.02841	2.0
89.02317	4.6
93.03336	61.0
94.03686	1.6
95.01217	0.5
101.02330	2.5
108.02045	1.1
113.02343	1.9
119.03386	1.5
119.04919	2.0
123.03143	1.2
137.02350	100.0
138.02687	2.5
138.05513	17.6
146.18747	0.6
152.01057	1.2
152.60710	0.5
180.01236	0.5
299.07779	1.8
300.10666	0.6
302.57169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.0
57.03314	1.3
58.00469	2.9
59.00948	2.6
59.01250	48.7
68.01288	1.2
69.88615	6.8
71.01254	30.1
72.99197	3.2
73.60423	1.3
74.98948	1.4
83.01321	1.6
85.02826	6.6
87.00776	1.7
89.01757	1.5
89.02319	32.9
93.03335	64.6
94.03686	1.9
95.01267	2.1
98.00582	2.9
99.00818	1.2
100.00281	2.5
101.02332	18.3
108.02065	10.5
109.02811	2.3
113.02341	11.8
119.03419	13.9
119.04916	22.3
123.03159	13.8
137.02348	79.5
137.05902	2.9
138.02684	3.9
138.05508	100.0
149.04439	1.1
152.01088	3.2
153.01874	1.9
155.02722	1.2
161.04518	1.2
167.88031	1.2
180.06523	1.9
199.01851	1.3
229.39526	1.1
237.35582	1.5
299.07861	2.9
300.10739	3.4
309.43042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.4
59.01248	9.1
63.87991	1.0
69.03328	2.6
71.01240	3.4
71.58997	1.1
84.91258	1.0
85.02823	1.5
89.02326	2.8
93.03342	1.0
96.95876	1.0
97.68395	1.1
101.02310	1.4
113.06305	1.2
119.03417	1.4
121.02849	2.9
122.96242	1.2
167.10742	5.0
179.10590	1.7
179.14304	3.3
195.13867	11.7
205.12250	12.3
206.12689	1.3
213.82973	1.3
223.13350	100.0
224.13626	6.1
279.19400	1.1
282.05371	2.3
297.07727	1.9
297.11371	2.0
297.20856	1.6
297.24323	14.0
297.27676	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	297.2072
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
54.92475	1.0
57.98396	0.8
59.01255	6.4
69.38326	0.9
71.01268	4.1
71.58134	1.0
80.02547	2.0
81.03334	2.0
93.03358	2.4
98.26293	1.0
101.02280	1.2
108.02087	1.2
109.68297	0.9
121.02870	1.5
122.03637	11.2
123.08036	1.5
125.09618	5.0
127.11204	1.6
135.04385	1.2
141.09125	1.9
141.12735	2.0
143.10670	2.3
149.09627	8.6
153.09109	2.2
155.10722	1.0
169.12239	1.1
171.10152	2.5
179.05576	1.0
183.01166	2.1
191.10718	20.2
197.02646	5.1
200.10492	3.5
211.04315	2.3
216.92696	0.9
230.02682	1.3
235.20790	2.4
241.00331	1.5
253.21854	1.3
261.18704	1.6
279.19693	8.3
297.15469	24.3
297.20740	100.0
297.24237	11.4
298.07318	8.0
298.15631	1.7
298.21054	7.2
298.24182	1.6
318.66995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
59.01252	5.4
65.34097	0.7
69.03323	2.7
69.81964	2.7
69.82374	1.1
71.01259	1.5
71.04899	1.0
78.59122	0.6
82.59266	0.5
83.04881	0.8
89.02318	0.8
91.03895	0.9
93.03329	1.1
95.04905	1.3
96.95870	0.7
101.02355	0.9
108.05694	0.6
109.02866	0.6
112.40672	0.6
119.04935	3.5
121.02846	2.3
135.04410	1.0
135.06491	0.6
139.03925	0.6
148.64197	0.6
149.02287	0.7
149.09644	1.0
153.01875	0.8
161.04482	0.7
161.13219	0.6
167.10693	4.2
168.07562	0.6
175.38589	0.6
177.01984	0.6
177.12892	0.7
178.09848	0.9
179.10655	2.3
179.14310	3.0
189.44435	0.6
195.02890	1.9
195.13850	11.8
196.11024	1.0
205.12300	10.7
223.13359	100.0
224.13699	6.8
235.17004	8.5
236.17323	1.2
236.19572	0.6
240.10114	1.1
293.19556	0.7
297.07584	2.2
297.11710	1.6
297.17032	1.6
297.24362	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	297.065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
69.31763	0.7
69.32191	0.6
71.01276	0.2
79.95604	1.0
80.96379	0.1
85.99946	0.2
87.00755	1.9
90.98472	0.1
93.03336	0.3
96.95889	100.0
97.95789	0.3
98.95509	0.2
104.80074	0.2
115.02654	0.1
127.11144	0.1
135.04385	0.2
137.09592	0.2
155.10669	2.0
171.10201	2.8
199.09647	0.4
217.10776	7.4
218.11116	0.3
235.10086	0.4
237.07959	0.2
265.73553	0.1
297.06528	15.0
297.10068	1.6
297.24399	0.5
298.06897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
56.45812	3.6
57.03342	4.0
57.73781	3.6
59.01253	100.0
69.88373	9.9
69.88786	13.1
71.01256	68.8
73.02822	5.9
75.04172	4.3
85.02823	18.1
85.89584	3.8
87.00764	4.5
89.02318	68.6
95.01240	3.9
101.02324	44.4
113.02333	25.9
119.03416	25.8
131.03313	5.1
135.06491	22.2
142.91631	4.0
161.04478	12.3
179.05548	10.9
205.46674	4.6
272.90085	3.8
297.08618	7.3
297.11902	25.8
297.24310	15.1
318.88974	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	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
50.76284	1.3
55.01773	1.4
56.64306	1.2
57.03321	2.4
58.00473	3.3
59.01251	100.0
71.01254	52.7
71.13877	1.6
71.14207	2.4
72.01597	1.7
72.99184	2.1
73.02825	8.5
81.03310	1.3
83.01265	3.0
85.02830	14.1
87.00745	3.6
87.41895	1.3
89.02317	57.8
95.01276	3.3
97.02817	2.1
99.00735	2.0
101.02322	38.4
103.03899	2.1
110.45424	1.4
113.02338	23.3
115.92649	1.4
117.05434	1.5
119.03386	27.4
126.73196	1.4
131.03363	2.9
135.06548	27.4
136.56175	1.2
143.03410	5.8
149.00854	1.5
149.04471	3.1
159.02882	3.4
161.04482	22.2
179.05530	16.8
193.03645	2.7
235.44626	1.4
237.09773	10.6
286.68582	1.3
297.11893	42.2
297.24319	8.5
298.12344	2.9
315.06009	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	297.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88182	0.2
59.01244	0.8
61.89483	0.2
69.36730	0.3
69.37130	2.0
79.95615	0.8
96.95892	100.0
97.95807	0.3
98.95456	0.4
101.02312	0.3
130.38559	0.2
135.04497	0.3
153.01865	0.3
155.10681	0.8
157.08620	0.7
171.10196	0.5
217.10817	2.2
258.73877	0.3
290.31610	0.2
297.06509	9.8
297.24408	1.7
298.06815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.8
70.22401	0.3
70.22807	0.5
74.48754	0.1
76.20468	0.1
79.95614	1.0
96.95892	100.0
97.95850	0.3
107.93472	0.1
110.02293	0.2
124.33946	0.1
135.04381	0.2
137.09663	0.2
155.10684	2.4
166.44513	0.2
171.10213	3.4
199.09764	0.4
217.10777	6.6
217.14294	0.3
218.11272	0.4
235.10110	0.6
237.08025	0.2
297.06534	15.4
297.10062	1.7
297.24380	0.3
298.06802	0.9
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	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03320	1.0
59.01257	3.4
65.38676	0.3
66.94724	0.3
71.01261	0.6
72.11852	0.3
83.01249	0.4
83.04879	0.3
90.94509	0.3
97.06482	0.5
98.20554	1.0
113.09618	2.5
129.77925	0.3
151.37137	0.3
169.12292	0.3
179.14304	1.0
181.12282	0.6
183.94701	0.3
195.13843	22.1
196.14185	1.4
200.33623	0.4
251.23822	0.5
277.21722	19.3
278.22079	1.5
295.22775	100.0
296.23157	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.01257	3.4
65.38676	0.3
66.94724	0.3
71.01261	0.6
72.11852	0.3
83.01249	0.4
83.04879	0.3
90.94509	0.3
97.06482	0.5
98.20554	1.0
113.09618	2.5
129.77925	0.3
151.37137	0.3
169.12292	0.3
179.14304	1.0
181.12282	0.6
183.94701	0.3
195.13843	22.1
196.14185	1.4
200.33623	0.4
251.23822	0.5
277.21722	19.3
278.22079	1.5
295.22775	100.0
296.23157	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03307	0.7
59.01241	1.7
99.07984	0.5
113.09589	2.2
142.52815	0.4
171.10155	0.7
177.12756	0.5
179.14351	1.1
195.13841	19.9
196.14180	1.3
207.45088	0.5
251.23737	0.6
277.21716	19.7
278.22095	1.7
295.22778	100.0
296.23114	9.7
318.64835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.83564	0.6
55.66869	0.5
56.02357	0.6
57.03326	0.9
59.01253	1.2
61.18593	0.7
69.74400	2.5
69.74805	1.3
115.59547	0.6
125.09579	1.7
141.12732	1.3
151.11177	0.6
171.10182	46.8
172.10518	1.3
203.22948	0.6
259.20627	0.7
277.21716	59.2
278.22070	4.6
295.22781	100.0
296.23151	9.3
318.05536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.0
71.40548	0.9
71.50199	2.4
84.80573	1.0
88.01968	1.0
98.95463	1.0
113.09612	1.8
150.96783	1.2
179.14450	1.7
183.13808	3.8
195.13860	28.4
196.14258	1.2
204.72318	1.0
277.21707	24.3
278.22058	1.5
295.22781	100.0
296.23044	8.8
305.49417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03315	0.6
58.72852	0.7
59.01246	4.3
62.76933	0.6
69.41256	6.1
71.01270	1.3
76.31341	0.6
78.80268	0.6
79.27110	0.7
89.10236	0.8
108.81973	0.6
119.04947	1.0
125.09605	0.9
141.12785	1.6
151.11223	0.8
169.12286	3.4
171.10237	1.3
196.14250	1.4
197.11784	2.2
197.14433	0.9
224.13834	0.7
225.14008	2.1
251.23813	1.6
260.38239	0.7
277.21555	9.1
295.22699	100.0
296.23126	6.7
307.08463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.68456	0.9
59.01249	9.6
64.08530	0.9
70.00770	1.7
70.01183	3.4
71.01244	1.9
72.20641	0.9
97.06495	0.8
98.20496	1.0
104.31813	0.8
113.09608	1.6
119.04938	3.7
141.07715	0.9
150.04340	0.9
157.10733	0.9
161.04341	0.9
171.10088	1.5
177.12735	1.0
195.12035	2.2
195.13840	40.2
196.14157	2.0
209.15431	4.9
225.14893	2.3
277.21729	47.3
278.22000	3.4
295.22794	100.0
296.23062	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.02058	0.8
53.57400	0.7
54.34248	0.8
57.03307	1.1
59.01254	5.3
67.09775	0.8
69.78732	2.3
69.79146	3.4
86.54055	0.8
86.83279	0.8
98.20504	1.1
99.08046	0.9
105.45974	1.0
143.07062	0.9
171.10179	33.6
177.58028	0.8
191.95685	0.8
195.13872	5.3
251.20073	1.5
277.18106	11.2
277.21671	45.8
278.19058	0.8
278.22028	4.2
279.09207	1.0
295.19107	16.3
295.22717	100.0
296.12985	1.0
296.19922	1.4
296.23096	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26595	1.2
57.03317	2.6
59.01250	3.5
69.60913	2.7
69.61319	6.9
70.72657	1.2
74.86208	1.3
81.35281	1.2
87.36096	1.2
95.20940	1.3
96.95866	1.6
98.20614	1.6
98.95502	2.3
99.08037	1.5
111.69026	1.2
143.37329	1.5
155.14297	2.8
161.60860	1.2
166.32074	1.3
171.10175	60.3
172.10474	1.7
183.10191	3.1
195.13863	2.5
217.90115	1.4
251.23723	2.7
277.21707	69.1
278.22113	4.6
295.22778	100.0
296.23059	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	295.1914
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
57.03321	2.1
59.01252	9.4
67.60874	1.4
69.27934	8.5
69.28366	6.5
71.01260	3.1
72.65340	1.2
73.02832	2.0
73.93105	1.5
75.81896	1.6
83.88178	1.5
85.02821	2.1
89.02280	1.4
89.06868	1.5
96.37384	1.4
97.06453	2.5
101.02383	1.4
113.02317	1.6
123.08025	3.0
125.09593	9.2
127.11213	2.2
139.11137	2.0
141.09103	3.8
153.09113	2.2
155.10591	1.6
171.10136	6.3
195.13885	4.1
199.09654	6.9
200.10461	8.7
201.11301	4.1
233.19090	9.0
235.84407	1.5
249.18526	2.4
251.20169	3.4
257.76538	1.5
259.16989	2.5
277.18073	15.7
277.21616	4.7
295.13657	4.4
295.19141	100.0
295.22693	26.4
296.19531	9.3
296.22989	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	294.1711
Annotation	Serratanidine
Peak:m/z	Relative Intensity
57.03320	0.6
59.01231	1.0
67.32465	0.6
68.02368	0.7
71.04873	1.0
83.04905	1.3
85.02818	2.2
85.06454	2.8
93.03300	1.3
97.00614	0.7
99.14272	0.5
111.08049	0.8
115.43063	0.6
119.04916	0.6
134.09657	2.1
135.11693	0.7
143.05035	0.6
146.03528	0.8
146.09641	1.7
147.08041	0.8
148.11215	0.8
162.12790	8.3
164.14362	21.6
165.14731	1.2
172.11171	1.2
173.05931	0.8
189.09134	2.8
190.12306	36.1
191.12630	1.6
197.05916	0.7
206.15451	2.4
208.13383	39.2
209.13666	1.8
222.15517	0.6
225.05495	2.2
232.17043	56.3
233.17387	5.0
238.06322	1.6
239.07080	6.2
250.18073	2.8
251.07028	3.6
252.07927	1.3
252.21324	0.6
276.16052	26.1
277.16339	2.0
294.17102	100.0
295.13406	28.5
295.17358	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	295.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80712	0.3
59.01254	2.2
69.71203	2.1
79.95610	1.2
83.24720	0.3
92.41362	0.3
96.95893	100.0
97.95850	0.3
215.09195	0.7
295.04922	6.3
295.22580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1339
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
55.77076	0.4
59.01253	3.2
60.74053	0.5
61.98704	0.6
62.62254	0.4
71.01250	1.1
76.51018	0.5
85.02812	0.7
93.03336	5.2
119.04893	2.2
129.95607	0.5
133.02835	0.5
143.04922	1.5
145.02849	2.2
145.10133	1.1
146.03621	2.6
147.04425	1.6
147.08051	2.8
156.05743	0.7
159.04439	2.7
159.08090	0.7
162.12775	0.6
163.13098	1.1
164.14328	1.5
165.14709	3.3
169.06465	1.0
171.08115	0.6
173.05991	5.1
180.05656	0.6
181.06464	0.7
183.04405	0.8
185.05937	0.7
187.07564	1.0
189.09125	12.4
190.09474	0.8
190.12350	2.4
191.12662	6.0
195.08037	1.4
196.05200	1.0
197.05965	3.7
201.09125	2.3
207.08012	0.6
207.15852	0.7
208.13383	2.6
209.06021	1.7
209.13669	5.0
210.06728	0.6
211.07538	0.8
211.11166	1.7
221.05989	0.6
223.07430	0.8
224.04713	1.5
225.05504	12.1
226.06177	3.1
227.07063	1.1
229.21617	0.6
232.16998	0.8
233.17375	11.4
235.11357	0.7
237.05545	1.5
238.06303	6.1
239.07086	24.6
240.07663	2.4
241.56425	0.6
251.04408	1.0
251.07097	17.3
251.14346	0.6
252.07736	4.2
253.12274	0.9
277.16251	4.4
279.10583	0.6
280.03796	0.8
295.13367	100.0
295.17337	21.3
296.13763	7.0
296.17316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
70.01924	5.5
71.01277	1.1
85.31308	1.2
98.19862	1.5
118.86658	1.1
124.63162	1.1
145.35997	1.1
157.99394	1.0
163.76518	1.2
177.12526	1.1
179.14403	1.8
195.13860	14.8
196.14568	2.3
223.13345	12.6
224.13986	1.9
231.21175	1.5
256.13162	5.1
275.20175	13.2
276.20551	1.4
293.21231	100.0
294.21521	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43071	0.3
57.03329	2.3
58.46648	0.3
59.01254	2.1
62.20860	0.3
69.03328	0.4
69.66475	1.8
69.66895	0.7
69.85748	0.3
71.01245	0.6
79.87566	0.3
83.04922	0.4
95.04880	0.3
97.06499	0.4
101.59025	0.3
111.08022	0.6
113.09615	5.3
121.10123	0.6
124.67147	0.3
125.09550	0.4
133.02856	2.0
136.08838	2.0
139.11172	1.0
144.79971	0.3
149.09628	0.5
151.11241	0.3
163.11234	0.4
167.10672	1.3
171.10143	0.7
177.09138	0.6
177.12764	0.5
179.10709	0.7
179.14352	0.8
181.12427	0.4
185.11777	0.7
192.11497	1.6
193.15900	3.7
195.13841	11.6
196.14375	0.5
197.11742	0.3
205.12251	1.0
205.15860	0.5
211.13284	0.9
220.14624	1.8
221.15390	4.0
222.15846	0.4
223.13339	7.1
224.13885	0.6
228.13565	1.0
231.21255	0.5
236.10469	2.3
249.18623	1.5
249.22226	0.9
256.13171	2.5
265.21710	0.9
275.20184	7.1
276.20505	0.7
293.21216	100.0
294.21542	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.1
59.01245	2.1
69.03333	0.4
71.01277	0.9
71.06506	0.9
83.04909	0.4
83.35043	0.4
95.04872	0.8
97.06470	0.7
109.06506	0.5
111.08059	0.6
113.09605	1.4
114.28672	0.3
136.08827	1.2
139.11195	0.6
147.62392	0.4
151.11182	0.9
167.10634	0.4
169.12192	0.4
177.09068	0.4
177.12790	0.7
179.14328	0.9
181.12321	0.6
192.11519	0.9
193.15932	2.8
195.13858	13.5
196.14470	0.9
205.12325	1.1
205.15929	0.5
211.13379	0.8
220.14682	2.4
221.15431	5.0
223.13353	6.7
228.13643	1.3
231.21214	0.5
236.10486	4.3
237.11153	0.5
249.18549	0.6
249.22157	0.8
251.61296	0.4
256.13181	2.8
265.21655	1.0
275.20187	7.4
276.20447	0.6
293.21225	100.0
294.21548	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
63.50353	0.7
69.32790	7.0
73.56048	0.7
89.57892	0.8
97.06468	1.0
105.96699	0.9
119.41550	0.7
123.08034	1.0
125.09626	5.4
141.12773	1.4
148.44789	0.8
149.09622	2.4
158.36028	0.7
185.11752	9.8
197.11780	3.5
293.21240	100.0
294.21594	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.6
59.01249	2.5
69.03350	0.6
71.01253	1.2
73.03896	0.5
83.04903	0.6
98.20558	1.1
113.09584	0.9
121.10172	0.7
123.08059	1.4
136.08856	1.3
139.11154	1.3
151.11189	3.3
153.09122	1.0
169.12251	2.2
169.63365	0.5
171.10168	0.9
177.09114	0.7
177.12796	0.6
192.11469	0.7
193.15933	1.2
195.17613	0.5
197.11775	27.5
198.12144	1.1
211.13463	0.6
220.14674	3.3
221.15417	5.5
222.18527	1.3
231.21124	1.2
236.10504	3.7
241.79915	0.6
249.18581	0.7
249.22130	1.4
250.21776	1.4
275.20160	15.5
276.20529	1.3
293.21228	100.0
294.21536	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32626	1.4
59.01250	3.6
69.27890	12.2
69.28302	3.7
72.11884	1.7
81.55258	1.5
89.26629	1.5
103.75050	1.5
116.34635	1.5
116.62318	1.3
121.09280	3.0
121.10120	45.6
122.10443	3.4
125.09656	1.5
171.10181	90.7
172.10545	2.7
183.13829	1.7
185.11646	3.2
208.16130	1.6
231.21127	6.4
275.20154	100.0
276.20560	6.5
293.21225	59.3
294.21548	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01883	0.8
57.03324	7.2
59.01252	4.0
70.91541	1.7
70.91901	1.4
91.30174	0.8
97.06457	1.0
113.09616	24.2
114.10008	0.9
121.10108	1.5
124.37537	0.8
139.11195	2.5
149.09628	0.9
167.10670	3.1
171.10239	2.6
177.12730	1.1
179.10678	1.9
195.13889	4.2
249.22064	2.2
275.20203	3.7
293.21234	100.0
294.21548	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85690	1.0
63.32283	1.2
70.02379	5.7
70.02777	1.8
71.01257	6.7
84.15359	1.0
98.19781	1.4
109.69968	1.4
125.21702	1.1
148.05249	1.1
177.09149	5.5
192.11459	6.6
205.12318	5.8
207.13869	1.5
218.09442	1.3
220.14659	46.3
221.15421	100.0
222.15819	6.2
236.10506	78.1
236.12930	2.6
237.10947	4.7
239.96564	1.0
293.17664	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	293.212
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
54.25336	0.5
57.03320	1.4
59.01246	2.4
63.60359	0.7
71.01235	0.8
71.59391	1.2
82.60575	0.6
93.03318	0.7
96.95903	1.3
111.08063	0.9
113.09669	1.1
121.02853	1.3
149.09563	0.7
171.61485	0.6
177.12688	0.6
179.14336	1.3
195.13831	12.1
196.14317	1.2
199.13419	0.9
205.12242	0.7
205.15894	0.9
211.13341	2.1
221.15425	1.0
223.13353	7.6
224.13815	0.7
228.13741	1.2
236.10393	1.0
256.13110	1.8
275.16742	1.2
275.20132	7.1
293.21222	100.0
294.18140	1.0
294.21469	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	293.2124
Annotation	13-HOTrE(gamma)
Peak:m/z	Relative Intensity
52.03325	2.7
52.23604	2.6
52.79860	2.4
55.25493	2.5
59.01248	6.4
71.01253	4.5
74.11841	2.6
96.95893	52.9
98.20547	6.8
99.08033	54.4
105.52669	2.4
127.66714	2.8
164.85167	2.5
172.26915	2.5
193.12273	33.2
193.15852	3.5
220.14661	10.8
221.15355	23.4
222.15697	3.2
236.10561	15.3
252.20184	2.7
275.20212	4.1
293.17911	35.8
293.21243	100.0
294.21466	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.0
58.00470	1.7
59.01255	36.8
69.81882	6.9
71.01259	20.0
72.99187	2.9
73.02828	1.4
83.01269	2.5
85.02805	8.4
85.06465	12.7
85.25349	1.1
85.62553	1.1
89.02321	25.6
92.17128	1.1
101.02312	17.9
113.02319	8.4
113.05983	8.7
115.03911	1.3
115.07584	1.4
119.03404	10.8
131.03444	1.5
131.07040	62.5
132.07274	1.4
141.66269	1.3
147.02914	2.2
149.04443	1.1
158.95096	1.2
173.08083	2.1
179.05540	1.9
186.82191	1.3
236.10649	1.2
293.12436	100.0
294.12842	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
57.03309	1.0
58.00459	1.6
59.01250	37.4
64.67913	0.5
70.15650	1.7
71.01254	20.7
71.60209	0.5
72.99178	1.7
73.02821	1.4
75.00669	0.6
82.06496	0.5
83.01273	1.4
84.02052	0.6
85.02831	7.5
85.06458	15.2
87.00778	0.9
89.02319	23.4
95.01285	1.4
98.19804	0.9
99.00774	0.6
101.02326	13.5
113.02333	8.3
113.05966	2.5
115.07558	2.0
117.14669	0.4
119.03392	7.3
127.07546	2.2
128.05479	0.6
131.07036	67.4
132.07368	2.4
134.49240	0.5
145.02904	0.9
147.02873	0.8
149.04506	0.6
173.08154	2.9
179.05545	1.3
259.61765	0.6
293.12427	100.0
294.12781	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78040	0.5
57.03328	3.1
59.01236	2.3
60.77919	0.6
69.03319	0.7
71.50851	0.6
79.48793	0.5
80.02531	0.6
83.04895	1.6
93.06985	1.1
97.06503	1.0
107.08604	0.9
119.08556	14.4
119.09405	1.0
120.08892	0.6
121.06503	0.6
121.10114	4.8
123.07984	0.7
125.09616	3.5
131.78255	0.6
135.08046	0.7
137.09593	3.0
139.11220	1.3
141.12802	0.6
148.08801	0.8
149.09627	1.0
151.11166	2.4
153.09180	0.6
155.10710	0.8
163.11194	1.7
165.12825	0.9
165.56677	0.6
169.12311	1.4
171.10194	10.8
175.14812	0.8
185.11761	5.6
197.11778	2.0
209.11703	0.8
211.13338	3.2
223.13342	1.6
229.19539	4.3
237.84163	0.7
247.13345	1.0
247.20581	2.5
263.20197	1.2
273.18600	15.8
274.18933	1.5
291.19659	100.0
292.20047	9.9
297.21912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01752	2.2
57.03325	1.9
58.00455	7.0
59.01252	90.9
60.01596	2.0
66.06015	1.6
69.03326	12.6
69.44199	3.8
69.44599	13.4
71.01256	88.3
72.01610	2.3
72.99167	4.6
73.02821	13.5
75.00793	2.1
75.67624	1.9
81.03345	4.7
83.01263	8.0
85.02809	8.0
89.02318	100.0
90.02649	2.6
95.01261	4.0
97.02836	12.7
99.00764	11.8
99.04370	1.9
101.02340	11.8
111.00773	2.7
113.02322	6.9
115.03922	8.5
125.02335	39.0
125.99125	1.7
131.03380	3.5
143.03363	3.0
143.79063	1.7
149.04489	3.1
154.62166	1.6
181.27136	1.7
233.06613	16.3
274.48822	1.8
281.76056	1.8
293.08862	2.7
293.21417	1.8
300.41809	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
68.02411	0.5
73.02820	65.9
74.03163	1.1
88.12089	0.4
96.39816	0.4
103.87704	0.4
121.02862	1.0
139.11064	0.4
174.48660	0.4
178.68250	0.5
183.86830	0.4
209.04457	0.7
291.19666	100.0
292.20007	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57663	1.8
59.01240	5.5
71.01231	2.3
73.02802	3.1
86.03083	1.8
96.62677	1.8
97.06470	96.9
98.06795	2.3
107.08549	3.6
121.02828	5.0
157.44623	2.0
163.00877	2.1
174.62335	1.8
183.13869	4.0
193.12289	23.4
194.12895	2.7
197.30148	1.9
209.04468	2.7
211.13347	82.5
212.13710	2.8
261.18588	2.0
273.18625	6.2
291.19675	100.0
292.19962	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57295	0.9
57.03319	1.2
59.01255	1.4
66.99758	1.0
69.39978	0.8
70.19054	3.6
71.04893	23.7
79.73183	0.9
90.65654	1.0
97.05510	0.9
97.06461	6.2
107.04813	0.8
109.50980	0.8
111.08060	1.5
116.32017	0.9
121.02827	1.4
134.05199	1.1
135.08026	1.2
137.09608	3.0
141.58572	0.8
181.12309	1.7
193.15987	1.2
197.11774	1.7
207.13878	2.0
209.11771	1.1
219.13852	2.4
235.16943	3.2
247.20657	3.2
273.18619	1.9
291.19666	100.0
292.19974	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78288	0.9
67.74914	0.9
70.02843	3.8
71.09752	0.8
72.07852	1.1
76.08641	1.1
79.58698	1.1
94.34490	0.9
163.11188	1.3
165.12761	20.0
166.13091	1.3
247.20691	10.2
273.18683	7.7
291.19666	100.0
292.19946	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77932	0.7
53.27834	0.8
57.03312	1.5
59.01236	1.0
60.90978	0.8
66.92142	0.7
71.53762	1.6
80.37668	0.9
88.04897	0.8
93.06984	1.7
97.06469	2.1
106.82067	0.8
121.10122	15.8
123.08051	1.2
125.09622	7.0
141.12747	2.1
185.10165	1.6
185.11761	16.8
186.12032	1.6
197.11749	4.7
209.11765	2.2
211.13370	2.5
223.13470	1.2
257.34589	0.9
273.18610	1.7
291.19669	100.0
292.20016	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	290.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.9
65.99708	0.8
71.04880	0.9
81.57463	0.5
84.04436	3.2
96.04427	0.7
98.05984	1.5
102.05505	1.1
105.06992	1.7
107.03690	0.8
121.02831	1.6
132.05716	1.0
143.10693	0.7
148.07599	7.0
161.04666	0.6
161.09636	15.2
162.10097	0.6
174.09174	2.6
176.10750	1.2
190.12321	1.1
204.10243	100.0
205.10555	6.2
217.11066	1.0
246.14940	4.0
290.13980	2.4
290.18369	2.7
291.16046	2.0
291.19644	4.5
310.82797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.11714	0.7
57.03320	1.2
58.86945	0.7
59.01245	2.7
65.03826	1.3
71.38828	0.6
71.39188	1.6
73.02858	0.7
89.73287	0.6
95.04918	0.9
96.27693	0.7
97.06467	3.2
106.04128	1.7
109.02841	1.3
109.06483	2.1
115.58171	0.7
119.08556	97.5
120.08920	3.5
123.04382	1.0
123.08049	1.6
125.02343	1.2
125.09618	21.8
138.35365	0.6
140.68079	0.6
145.06555	1.0
149.09525	0.7
151.11249	1.1
159.08109	1.3
160.08807	1.5
163.03914	2.5
163.11099	1.0
191.14310	1.0
227.17979	0.9
233.15454	9.5
245.08170	1.2
245.19070	7.8
261.18610	1.1
263.40961	0.7
271.16986	3.2
289.18091	100.0
290.18448	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	289.1809
Annotation	9,17-Octadecadiene-12,14-diyne-1,11,16-triol
Peak:m/z	Relative Intensity
50.75034	1.4
57.03313	2.3
59.01252	2.6
65.03864	1.5
71.59181	1.8
73.02810	1.6
93.06990	2.6
109.02858	4.4
111.04272	1.7
117.06984	3.7
118.07316	2.2
119.08556	60.7
119.09419	3.0
120.08826	2.0
122.18285	1.3
122.96987	1.9
123.04397	2.8
125.02313	1.6
125.09628	10.2
135.04408	6.3
145.06551	2.5
147.04446	11.8
147.08205	1.6
148.05209	1.6
151.03828	1.9
160.08846	7.8
161.06009	2.8
173.41582	1.5
175.07545	2.0
177.05516	5.3
180.71272	1.4
181.19978	1.4
189.09274	2.5
191.10715	4.4
203.07082	2.4
203.10695	2.6
233.03615	1.4
233.15442	39.0
233.74681	1.3
234.15811	3.4
240.70718	1.6
245.08177	3.4
245.19055	3.0
249.59712	1.4
259.17035	34.3
260.17191	3.4
271.16919	2.1
289.07175	7.7
289.18091	100.0
290.18600	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	289.0832
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
54.33528	2.0
57.03326	5.5
58.02848	23.1
59.01261	11.6
59.01527	1.7
59.46251	2.0
63.63619	2.2
70.02856	14.5
71.58513	2.3
71.58889	3.1
72.00779	5.9
72.04433	4.3
74.02348	100.0
81.03337	5.2
83.01253	6.2
85.02804	2.6
93.03322	2.7
95.04881	5.9
96.95897	4.5
97.02840	13.2
98.02363	22.6
101.02386	2.3
109.02843	41.1
115.83174	2.0
116.03423	30.4
116.04935	33.7
121.02862	2.8
123.00749	7.6
123.04405	26.6
125.02342	24.5
125.94433	2.2
130.06546	3.4
135.04504	3.0
137.02345	11.9
139.03935	5.7
142.06531	5.4
149.02312	6.0
150.03127	3.3
151.03908	8.5
158.98370	2.2
159.04486	2.9
159.09193	4.0
160.05257	2.4
161.05934	4.1
163.04027	2.9
164.01016	5.4
165.01859	4.7
175.03891	4.2
179.03441	8.9
187.03899	6.7
188.04732	7.2
201.10271	8.1
203.08308	78.9
204.08693	3.1
205.05009	10.7
221.08173	3.7
227.07005	2.8
245.09445	86.4
246.09477	4.7
271.05969	3.0
289.07126	67.1
289.20172	6.8
290.07770	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	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.43887	1.4
54.40235	1.5
57.03324	15.1
58.19033	2.0
62.48367	1.4
62.48691	1.6
69.03328	2.8
69.28696	1.7
69.28986	18.1
76.71758	1.5
80.02557	2.8
81.03329	12.7
83.01256	14.4
83.12816	1.9
93.02806	1.9
93.03315	8.1
95.01244	1.9
95.04894	15.6
97.02827	27.2
98.03128	2.3
99.04343	1.8
108.02070	2.8
109.02831	88.5
110.03233	2.6
117.03398	1.9
121.02820	14.1
122.03625	9.3
123.00885	1.7
123.04409	69.8
124.04715	2.2
125.01434	3.6
125.02332	50.8
131.04883	1.9
135.04407	8.1
137.02338	28.8
138.03073	3.5
139.03917	13.3
145.02852	5.9
146.03603	5.2
147.04395	2.2
149.02336	13.6
150.03110	6.3
151.03918	31.0
157.06390	1.7
159.04431	9.6
160.05215	4.5
161.02296	3.0
161.05968	15.7
162.03146	5.6
163.03911	4.6
164.01051	12.1
165.01836	11.4
166.02603	2.4
167.03381	6.6
173.05986	4.5
174.03098	1.9
175.03929	7.0
175.07494	9.4
177.05499	2.2
179.03392	15.6
185.06007	2.7
187.03951	12.0
188.04716	9.6
201.05550	2.7
202.06293	6.8
203.07074	37.2
205.04980	20.5
206.05380	2.0
217.08685	1.8
221.08200	13.0
227.07050	5.1
229.04974	1.6
230.05757	3.1
245.08170	44.6
246.08527	3.3
247.06119	2.4
271.05984	2.5
289.07178	100.0
290.07544	9.9
310.83362	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.5
69.28683	12.3
81.03334	5.1
83.01256	8.6
93.03331	3.1
95.01247	1.6
95.04901	8.1
97.02825	13.9
99.64606	1.2
102.53007	1.3
108.02069	1.7
109.02843	62.5
110.03139	1.6
121.02872	6.5
122.03587	1.6
123.03535	1.8
123.04411	33.1
124.04786	1.4
125.02341	37.0
135.04384	4.2
137.01382	2.1
137.02351	21.7
138.03094	1.2
139.03923	9.7
145.02812	2.2
146.03592	2.2
149.02347	8.3
150.03127	2.1
151.03928	20.6
159.04414	6.2
160.05179	2.9
161.02339	2.7
161.06044	6.5
162.03085	4.1
163.03957	2.5
164.01068	6.6
165.01869	8.3
166.02547	2.5
167.03430	3.2
173.06030	1.9
175.03883	5.2
175.07541	3.4
179.03447	14.8
185.05989	2.6
187.03944	9.4
188.04701	7.8
188.87204	1.2
189.05170	1.1
199.07526	1.5
202.06291	4.5
203.07109	29.8
204.07483	1.7
205.04996	16.1
212.04649	1.5
217.08678	1.5
221.08101	8.0
227.07062	4.8
229.05081	1.2
230.05809	1.4
245.08165	43.4
246.08458	3.4
247.06058	2.1
271.06110	2.3
284.66370	1.3
289.07178	100.0
290.07532	6.2
294.05182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80148	1.1
57.03324	5.2
66.30765	1.2
67.49246	0.9
69.03316	2.2
69.70618	5.5
69.71039	2.0
74.58772	0.9
81.03316	5.2
83.01260	6.3
83.51669	0.9
92.61889	1.3
93.03358	4.7
95.01283	1.2
95.04923	7.2
97.02830	11.5
98.19874	1.4
98.52348	1.1
106.54218	1.2
108.02048	2.2
109.02837	44.9
110.03149	1.6
117.03313	1.8
121.02867	5.5
122.03649	3.0
123.04411	35.9
125.02333	29.7
125.04337	1.0
135.04405	4.1
137.02345	20.0
138.03091	1.2
139.03905	7.5
146.03639	2.3
149.02330	9.2
150.03065	3.2
151.03917	15.0
159.04451	4.9
160.05194	2.9
161.02411	2.7
161.06006	9.2
162.03123	2.9
163.03900	2.3
164.01070	4.2
165.01874	5.7
167.03455	3.5
173.06038	1.6
175.03918	4.1
175.07556	3.1
177.05518	1.1
179.03398	13.3
187.03970	8.2
188.04791	6.5
199.07516	1.3
202.06287	3.9
203.03474	1.2
203.07089	20.3
205.05019	14.0
217.05031	1.6
217.08624	1.4
221.04486	1.1
221.08127	6.7
227.07054	3.3
245.04390	3.3
245.08157	39.4
246.08533	2.2
247.02432	2.7
247.06013	3.0
289.07159	100.0
290.07443	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	288.1605
Annotation	Lycoramine
Peak:m/z	Relative Intensity
53.33275	0.3
53.90146	0.3
59.01258	1.2
65.03832	0.4
69.61790	0.9
69.62199	1.8
73.10143	0.4
81.03332	1.7
92.04935	0.9
93.03335	2.0
108.02058	0.9
108.04436	5.0
109.02839	6.1
119.08560	5.4
121.02835	0.7
123.04377	0.9
124.01572	0.4
125.02349	0.7
125.09604	1.2
134.02377	41.1
135.03188	8.4
136.03947	42.3
137.02348	1.8
137.04233	1.0
149.04713	1.1
163.11142	0.5
171.10875	0.4
176.03456	5.5
177.04184	0.7
181.03767	0.4
190.05008	0.5
191.14294	0.5
203.07024	0.4
204.06622	0.8
227.06992	0.7
245.08167	0.4
245.19070	1.5
270.15070	0.5
271.17142	0.4
288.16058	100.0
289.07144	1.1
289.16113	3.5
289.18140	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1655
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
50.14118	0.6
59.01254	2.5
65.03841	1.2
82.76888	0.6
97.06474	2.2
98.19834	1.7
102.04662	3.2
115.05435	4.3
117.06996	100.0
118.07299	5.1
121.06491	1.0
123.08092	0.8
125.02366	3.4
125.09622	10.6
137.02394	0.8
143.04959	1.4
147.08076	1.0
160.08748	0.7
161.02292	0.8
221.65187	0.8
222.82556	0.7
231.13896	2.2
243.17575	2.3
269.15414	1.4
287.16537	72.9
288.16904	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	287.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75774	0.8
59.01260	6.2
62.46164	0.9
62.75284	0.8
64.43853	0.9
65.03826	3.7
71.45855	1.1
71.46181	1.3
91.05403	2.9
105.07008	1.4
114.01968	0.8
117.06988	1.7
121.06490	11.0
125.02334	9.4
131.04893	1.0
142.94478	1.1
145.06477	1.1
147.08049	9.4
153.09085	1.2
158.07281	2.6
159.11700	1.5
160.08884	10.3
161.09407	1.2
169.93712	1.1
171.08131	4.4
173.09698	1.8
185.09625	2.3
186.10466	4.7
187.14886	8.3
189.12727	1.4
199.11183	1.5
213.12621	1.0
215.14259	1.1
231.13878	27.6
232.14235	2.2
243.17542	11.3
269.15369	1.0
287.05850	1.8
287.16528	100.0
288.16885	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	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58173	0.4
52.83836	0.4
56.64394	0.4
57.03313	2.1
59.01249	1.9
65.00165	0.5
69.03341	0.6
70.05009	0.4
71.01306	0.5
71.59215	0.6
83.01249	1.1
89.02304	0.8
91.03884	1.5
95.04927	0.8
97.06470	2.0
109.02877	0.9
109.78419	0.5
110.18549	0.5
121.02839	1.4
124.01507	0.7
125.02338	12.2
135.04343	0.7
137.02380	2.8
147.04456	0.6
149.02342	1.4
150.03105	0.6
151.11197	14.7
152.11551	0.6
159.04427	0.7
161.02365	2.2
162.47160	0.5
164.01025	0.7
165.01855	2.0
169.12262	100.0
170.12589	4.4
173.05957	0.7
175.03998	2.6
177.05562	0.6
195.10210	3.7
201.05487	1.4
203.03400	0.5
213.11272	20.1
214.11662	0.7
215.07024	0.7
219.06557	0.7
243.03136	0.5
243.06682	1.3
259.06168	2.1
287.05725	3.7
287.08823	0.8
287.14856	14.2
287.22021	2.6
288.15378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58173	0.4
52.83836	0.4
56.64394	0.4
57.03313	2.1
59.01249	1.9
65.00165	0.5
69.03341	0.6
70.05009	0.4
71.01306	0.5
71.59215	0.6
83.01249	1.1
89.02304	0.8
91.03884	1.5
95.04927	0.8
97.06470	2.0
109.02877	0.9
109.78419	0.5
110.18549	0.5
121.02839	1.4
124.01507	0.7
125.02338	12.2
135.04343	0.7
137.02380	2.8
147.04456	0.6
149.02342	1.4
150.03105	0.6
151.11197	14.7
152.11551	0.6
159.04427	0.7
161.02365	2.2
162.47160	0.5
164.01025	0.7
165.01855	2.0
169.12262	100.0
170.12589	4.4
173.05957	0.7
175.03998	2.6
177.05562	0.6
195.10210	3.7
201.05487	1.4
203.03400	0.5
213.11272	20.1
214.11662	0.7
215.07024	0.7
219.06557	0.7
243.03136	0.5
243.06682	1.3
259.06168	2.1
287.05725	3.7
287.08823	0.8
287.14856	14.2
287.22021	2.6
288.15378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83430	0.6
69.32171	6.6
103.65311	0.6
108.37080	0.7
109.38159	0.6
125.02323	0.6
131.03603	0.7
132.04482	1.2
134.30157	0.7
144.04500	1.3
145.03992	1.9
155.06104	1.1
157.07587	2.4
173.03468	5.0
177.33958	0.6
181.07726	1.7
183.05573	16.0
215.04567	41.9
216.04865	2.0
225.06706	1.3
234.17857	0.7
243.07784	5.6
287.06747	100.0
288.07047	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
51.62712	0.6
52.69612	0.6
57.03326	1.5
59.01252	100.0
60.01575	0.7
61.97077	0.5
69.42413	4.7
99.04418	1.7
125.02333	3.7
125.06026	0.6
150.78702	0.5
165.12764	1.8
167.10637	1.1
187.15620	0.6
207.13860	4.0
209.11789	7.9
225.14905	7.5
227.12842	53.8
228.13239	2.8
251.12848	1.8
266.81485	0.6
269.13916	12.9
270.14413	0.7
287.15015	69.5
288.15317	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52620	0.4
52.89881	0.4
57.03321	1.7
59.01252	1.9
71.01278	0.7
71.58676	0.6
75.22771	0.4
89.02341	1.0
91.03894	1.8
93.13984	0.4
97.06480	2.3
109.02804	0.6
125.02338	6.2
125.09633	0.5
137.02345	1.0
151.11195	15.4
161.02359	1.2
165.01851	0.4
169.12260	100.0
170.12593	5.0
173.06004	0.5
175.03883	0.7
195.10237	4.1
201.05614	0.6
213.11273	20.1
214.11665	0.8
243.06862	0.5
259.06027	0.8
287.05667	1.9
287.14999	14.7
288.15442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.4
69.53886	3.8
72.72993	0.4
83.04872	0.6
93.76456	0.4
133.83128	0.5
167.10736	0.5
167.14307	0.7
183.13844	8.0
193.12296	2.3
210.49280	0.4
211.13345	100.0
212.13680	5.3
284.26639	0.7
285.03992	1.7
285.11554	0.6
285.20691	0.9
285.27145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01237	0.4
65.03839	0.4
68.49303	0.3
70.02831	1.4
71.14680	0.5
71.15021	0.4
74.05984	1.7
83.04848	0.4
90.39771	0.3
100.49332	0.3
109.21584	0.3
117.06986	12.0
118.04974	1.6
125.02323	1.3
125.09593	1.2
138.80154	0.4
143.04974	0.5
240.23270	4.1
242.21211	1.6
243.17561	0.7
256.23013	0.4
257.15454	1.2
268.22888	0.9
269.11761	0.6
269.15668	0.5
284.22644	0.5
284.33521	0.4
286.23865	100.0
287.13040	1.0
287.16489	9.5
287.24243	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	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	12.5
67.82542	3.0
81.77387	3.4
83.01266	13.1
93.03323	9.0
97.02831	3.8
107.04882	3.7
109.02840	31.8
121.02877	14.9
123.04310	3.1
124.01540	9.3
125.02338	100.0
133.02808	3.2
135.04378	4.9
137.02357	54.3
145.06406	4.0
147.04427	9.2
149.02356	28.6
150.03081	10.0
151.03903	14.8
158.03685	3.6
159.04420	9.5
161.02354	24.1
162.03120	8.9
163.70576	3.0
164.01044	10.2
165.01830	18.6
172.05273	3.5
173.06012	15.6
174.03127	7.0
175.03935	45.4
176.04623	5.6
177.01859	7.7
177.05489	12.3
183.04478	7.2
189.05550	10.4
191.06952	3.3
199.03886	7.5
200.04755	4.8
201.05499	24.6
203.03412	14.1
215.07072	7.7
217.05037	15.1
219.06567	24.1
225.05501	5.8
227.03270	3.4
241.05069	7.6
243.02979	5.0
243.06534	21.9
245.04456	7.9
258.05328	9.0
259.06110	39.7
269.04584	8.8
287.05661	61.5
288.05954	5.5
309.74469	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	285.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67566	0.3
61.99805	0.2
69.03341	0.3
70.31735	0.3
70.32097	1.1
81.03320	0.7
85.02810	0.4
93.03308	0.4
95.01265	0.4
96.95889	2.6
97.03950	1.0
108.02051	100.0
109.02877	13.7
110.03160	0.4
121.02831	0.7
123.04406	0.8
133.02838	0.6
135.00806	0.6
151.03909	1.7
152.01054	60.0
153.01843	29.9
154.02197	1.1
163.03972	1.0
165.01869	1.0
213.03275	0.8
234.34668	0.3
262.10101	0.3
284.26752	0.8
285.06143	50.1
286.06473	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44808	0.3
57.48366	0.3
59.01242	1.1
60.59468	0.3
69.03314	0.7
71.59315	0.7
71.59684	0.4
83.04900	0.5
99.69089	0.3
105.47318	0.3
108.02061	0.6
119.04878	0.3
127.41098	0.4
155.10623	0.5
165.12704	0.4
167.10687	0.4
167.14316	0.8
175.03915	0.4
183.13835	7.4
193.12250	1.9
211.13335	100.0
212.13683	6.2
285.04041	2.1
285.11401	1.0
285.17294	0.6
285.20660	0.8
285.27112	1.5
296.43323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	4.6
59.01252	93.2
71.00896	4.0
71.01257	100.0
71.57323	6.9
73.02827	19.2
83.01273	10.0
85.02825	45.2
89.02323	38.5
91.24056	4.4
95.01302	5.5
99.00735	7.1
101.02322	55.5
113.02325	30.6
119.03411	16.5
150.04160	9.5
161.04437	25.1
281.12393	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	285.0616
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
56.04986	0.3
63.11698	0.3
70.05559	0.6
70.05969	1.4
70.99471	0.9
74.02333	0.5
81.03345	0.7
85.02831	0.3
87.51527	0.3
95.01299	0.4
96.95893	10.7
96.96513	0.7
97.03968	3.4
100.00273	0.7
107.01280	0.3
108.02054	100.0
109.02884	13.7
121.02879	0.5
122.03652	1.8
123.04447	0.7
133.02861	0.5
135.00803	0.4
135.04443	0.6
141.01164	0.7
151.03914	0.8
152.01059	52.4
153.01846	23.9
154.02199	1.0
163.03900	0.7
165.01846	0.7
180.28719	0.3
185.00258	0.4
213.03387	1.6
285.06149	41.3
286.06638	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
71.12033	0.5
71.12363	0.4
79.07396	0.5
81.03309	0.6
86.57571	0.4
95.04372	0.4
103.05264	0.4
107.04890	0.3
108.02053	100.0
109.02869	20.3
110.03153	0.6
121.02823	0.8
123.04363	0.8
133.02840	1.2
135.00751	1.2
151.03867	1.7
152.01060	90.5
153.01846	38.5
153.02910	0.3
153.03642	0.5
154.02180	1.1
163.03912	1.2
165.01819	1.0
195.55443	0.4
204.31541	0.4
215.62677	0.4
257.90302	0.4
285.06168	37.8
286.06464	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
69.29000	4.2
69.29398	0.8
73.80329	0.4
82.80431	0.5
92.04470	0.4
96.95882	0.5
146.65813	0.4
261.22070	0.9
279.23291	100.0
280.23676	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	279.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87305	0.2
56.93351	0.2
59.01249	0.6
70.02328	1.0
71.01237	0.2
78.87782	0.2
96.95893	2.7
132.81577	0.2
160.55460	0.2
176.01300	0.2
226.44063	0.2
258.87509	0.2
261.22144	0.5
279.16971	2.5
279.23279	100.0
280.23615	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.48450	0.4
59.01270	0.5
70.33521	1.4
74.19931	0.6
97.57471	0.5
101.92648	0.5
147.05666	0.4
226.56862	0.4
234.04033	0.5
279.23300	100.0
280.23672	8.1
293.23154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.37246	0.4
59.01249	2.9
80.70167	0.4
98.20504	1.0
198.19212	0.5
205.15891	0.5
229.24193	0.5
259.20682	0.7
273.14063	0.5
275.20251	0.5
277.21716	100.0
278.22049	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98536	0.3
59.01244	1.7
68.22301	0.4
69.28262	0.3
69.28802	0.8
73.23369	0.4
75.23258	0.3
77.21124	0.3
78.47077	0.4
78.90913	0.4
82.30089	0.4
88.50508	0.4
90.88291	0.4
96.50691	0.3
98.34612	0.4
166.43925	0.4
174.75060	0.4
228.60278	0.4
277.21725	100.0
278.22110	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.27451	0.3
59.01242	1.2
68.46454	0.3
92.76403	0.4
97.05560	0.4
103.71230	0.3
127.07629	0.4
160.78757	0.4
233.22780	0.6
259.20709	0.7
276.46750	0.5
277.21725	100.0
278.22104	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	278.1762
Annotation	Serratinine
Peak:m/z	Relative Intensity
53.66933	0.4
58.02832	0.6
59.01219	0.6
59.80324	0.5
59.97190	0.5
60.43203	0.5
62.22499	0.4
71.01228	0.5
71.57773	0.7
81.53336	0.4
82.02663	0.6
85.02820	2.3
93.03333	0.5
96.08060	0.7
102.05495	2.8
148.07608	4.6
150.12823	0.9
177.11508	1.0
192.13875	100.0
193.14191	4.9
217.24283	0.5
220.03513	0.5
228.95795	0.5
241.52971	0.5
278.17630	14.6
278.22205	1.4
279.17801	0.8
279.23349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1083
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
59.01247	63.2
62.83109	3.6
71.01248	38.6
71.04893	9.0
71.14428	7.1
72.99192	4.8
80.40634	3.6
82.17495	3.4
85.02796	11.0
87.00731	3.6
89.02298	28.3
99.04377	24.2
101.02315	24.1
113.02325	13.2
117.04704	5.8
117.05470	56.1
119.03362	14.2
186.55386	4.4
192.37985	4.3
279.10837	100.0
279.23196	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	277.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50441	3.0
57.16257	2.7
58.02849	38.6
59.01247	8.8
70.02874	3.3
71.45838	4.0
73.54745	3.1
74.02347	24.3
77.98528	2.7
84.04424	19.3
92.04941	10.6
95.31184	3.1
98.02370	5.5
102.89606	2.6
116.03406	13.8
116.04950	8.1
118.02895	5.4
118.06517	6.1
120.04455	6.8
128.03436	16.9
130.06519	59.8
131.03667	100.0
131.04689	5.7
144.04462	46.7
146.06052	22.7
146.08211	2.7
147.03178	5.6
148.03931	29.4
155.06027	12.3
160.03979	17.3
160.06084	5.2
161.04733	5.7
166.20090	2.6
171.05560	3.8
173.07121	17.9
174.05536	85.3
175.05835	4.2
176.07086	7.5
189.06680	7.8
190.05061	39.2
191.05498	3.4
191.08224	3.1
215.08167	10.2
217.06125	9.6
218.04523	10.2
218.06528	3.0
230.00211	3.6
233.09419	7.3
235.07204	6.6
276.31140	3.1
277.08301	38.9
277.11334	5.3
277.21713	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	276.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10221	1.8
55.01745	7.2
57.03314	6.5
58.96565	1.8
59.01255	41.0
60.11400	1.8
70.91618	4.5
70.91946	2.1
71.01254	100.0
72.99184	3.0
73.02818	29.4
75.00719	2.0
78.52302	1.8
83.01257	14.2
85.02827	41.7
87.00761	4.1
89.02329	6.5
95.01244	6.1
97.33411	2.1
99.00771	10.5
100.11209	2.1
100.63165	2.2
101.02326	62.7
112.03909	6.7
113.02329	37.4
114.05483	20.9
115.03890	10.7
119.03403	2.4
119.20948	2.0
119.59296	1.8
125.82491	2.0
159.02882	6.7
161.04466	25.0
245.94232	2.1
276.10809	7.1
277.21573	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	276.1605
Annotation	8alpha-Hydroxylycothunine
Peak:m/z	Relative Intensity
70.94413	0.3
71.19295	0.6
85.02827	0.8
92.26563	0.3
97.71407	0.3
105.05718	0.3
107.88768	0.3
118.06541	0.4
119.07312	0.6
132.08063	0.6
134.09657	37.2
135.10005	1.5
137.04739	0.3
148.11272	0.6
161.08350	0.8
164.97206	0.3
172.11292	0.5
175.09940	1.5
184.66843	0.3
190.12311	100.0
191.12656	5.6
194.92682	0.4
233.15387	0.6
276.16043	13.1
277.16348	1.1
277.21716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
52.98507	0.5
55.43411	0.5
57.03330	0.8
63.54963	0.5
69.03318	3.5
69.26827	2.1
69.27252	4.1
80.02541	1.4
81.03351	3.7
83.01265	3.2
93.03343	12.9
95.01279	1.4
95.04904	11.5
96.44376	0.6
97.02832	53.5
98.03139	1.0
98.03674	0.7
98.20555	1.0
99.04414	0.7
106.04140	1.0
107.04918	4.0
109.02811	1.4
111.04410	0.7
113.02343	1.0
113.07430	0.5
119.04925	3.3
121.02843	0.7
122.03632	0.9
123.00772	0.7
123.04408	9.9
124.01541	0.7
124.04768	0.8
125.02343	4.7
131.04927	0.8
133.02844	7.4
134.03651	5.5
135.04430	9.9
137.02359	7.8
138.03134	4.7
139.03908	7.3
143.04956	0.9
145.06483	1.2
146.03558	0.7
147.04408	2.7
150.56923	0.7
161.06006	2.3
164.01050	1.6
165.01825	0.8
165.25427	0.6
166.02658	4.8
167.03435	1.4
171.04427	3.1
172.05153	0.8
179.03419	2.3
185.05994	1.6
186.06816	3.1
187.07578	13.2
189.05510	15.3
205.08650	14.6
211.07584	1.3
213.05478	1.4
214.06282	1.1
215.03493	1.0
229.08673	14.7
230.08994	1.0
231.06618	4.7
255.06573	5.9
273.07684	100.0
274.08011	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	273.1498
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
69.14324	0.2
71.58520	0.4
93.03350	1.6
94.75791	0.3
95.01308	0.4
95.04919	0.3
98.10535	0.2
102.66477	0.2
107.04906	2.4
108.02064	1.1
110.13795	0.3
119.04922	0.4
121.02836	1.6
122.03629	45.4
123.03963	1.1
136.01555	1.7
137.02307	1.3
145.06509	1.1
146.07248	0.8
149.02351	12.1
150.03136	35.0
151.03934	7.9
152.04120	0.2
159.08080	0.2
160.73578	0.3
161.02354	18.6
162.02783	0.8
163.03946	3.0
165.01826	0.5
174.03185	0.5
175.03922	0.9
177.12726	1.6
182.02141	12.6
183.02444	0.4
189.05502	4.9
190.06198	0.8
191.07080	0.8
199.09637	0.4
203.07080	3.5
204.07822	1.4
229.15947	0.3
236.52644	0.3
237.77658	0.2
273.14963	100.0
274.15314	8.6
274.18347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1654
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
51.66817	0.6
57.03314	1.0
59.01258	1.1
77.91282	0.8
84.44052	0.6
88.06382	0.6
90.09422	0.7
93.03321	1.1
97.02824	0.9
107.04916	2.1
108.02007	0.9
109.02833	1.2
116.92725	2.6
119.04992	1.2
121.02836	6.9
122.03601	2.7
123.04395	2.2
123.08042	0.8
133.02838	5.8
134.03625	2.9
135.04420	6.7
137.02341	3.1
137.06120	0.9
138.03136	0.9
147.04419	12.3
147.08052	1.0
148.05067	1.1
149.02359	6.9
149.05911	1.1
150.03183	1.2
151.03914	45.8
152.04243	1.6
159.04404	2.6
161.05978	1.7
163.03918	88.0
164.04303	2.3
165.05486	9.5
165.08969	1.4
173.05925	1.4
175.03841	0.8
175.07518	1.1
177.05492	16.2
177.09090	2.8
182.14035	0.7
185.05986	1.6
187.07605	1.9
189.05499	0.9
189.09129	3.4
191.10684	1.7
192.95837	0.8
199.07570	1.4
201.09126	1.9
202.09885	1.4
203.10675	1.8
205.08655	11.5
205.75087	0.8
206.09419	10.5
207.10196	9.8
208.10381	0.8
214.10027	1.0
219.10210	7.0
220.10909	1.1
241.12317	1.3
245.15410	3.7
247.17018	2.9
257.15500	8.3
257.38190	0.7
275.16528	100.0
276.16873	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.23212	0.8
55.26196	1.0
71.06573	1.4
71.06896	0.9
101.79745	0.8
125.02333	1.1
135.19128	0.9
168.24693	0.8
175.48929	0.8
223.20596	5.5
225.22194	63.0
226.22562	3.9
253.21732	1.3
271.22784	100.0
272.23126	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	273.0769
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03331	2.5
59.01242	0.9
59.37981	0.4
63.02270	0.6
65.00196	3.1
68.99696	0.5
69.03317	0.5
71.59178	0.5
81.03332	29.9
82.03658	0.8
83.01254	9.5
84.04465	0.4
88.54704	0.3
93.03337	11.3
95.01274	1.0
95.04909	1.2
99.04391	1.1
107.01279	3.3
111.04391	0.5
113.02383	0.4
119.04920	24.3
120.05244	0.7
123.04413	49.1
124.04751	1.9
125.02345	13.9
135.04413	1.5
137.02411	0.4
142.06549	0.5
143.04910	0.4
145.06520	0.6
147.04437	0.7
149.02371	1.1
151.00288	5.4
155.56491	0.3
164.01028	0.4
166.02589	0.6
167.03416	100.0
168.03761	5.0
169.06438	0.7
169.54672	0.3
170.05991	0.5
171.04427	0.5
179.03427	8.9
180.03928	0.5
185.06004	0.5
187.07535	0.9
189.05515	4.7
202.62408	0.4
211.07437	0.7
226.13014	0.4
229.08682	1.7
255.06592	1.1
258.05157	0.4
273.07681	58.2
274.08075	4.6
274.10742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30362	0.4
59.01234	1.8
66.03337	0.5
69.97369	1.7
69.97776	0.9
71.01248	3.2
79.95599	0.7
80.04917	0.6
80.96347	0.6
81.03311	1.8
82.02860	0.6
94.02859	87.5
95.02590	0.8
95.03201	2.5
96.95884	17.4
97.95827	1.1
98.20450	0.7
98.95468	3.7
98.96081	0.5
99.00766	1.2
100.00277	0.8
101.02320	0.5
103.84367	0.5
107.01276	0.8
107.03664	2.9
108.04429	17.8
109.04745	0.6
110.02361	0.6
112.92801	0.5
124.03967	0.6
126.05428	0.8
128.03426	0.9
134.02362	9.1
135.03146	1.9
136.03940	5.5
138.01865	100.0
138.09157	0.6
139.02213	2.8
151.02565	0.5
152.03452	1.1
158.59441	0.5
179.02013	0.7
208.07291	0.7
226.07199	1.9
270.03668	1.2
270.06201	14.5
271.06705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01233	0.3
59.32882	0.3
59.67309	0.3
69.41157	3.2
81.05648	0.3
83.04877	0.4
96.44228	0.3
112.94659	0.3
125.02309	0.9
159.80524	0.4
203.95398	0.3
225.22202	4.3
253.21666	1.6
269.21082	0.9
271.22778	100.0
272.23151	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	269.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05644	0.6
59.01249	0.6
63.02262	4.4
63.96113	18.9
65.00202	4.0
66.85859	0.6
70.21873	1.2
70.22266	1.5
72.08480	0.5
75.20588	0.6
78.98463	38.8
80.43712	0.6
83.01247	1.7
93.03318	1.0
96.63933	0.6
98.20512	0.6
105.03344	1.3
107.01267	5.2
117.03344	20.2
119.56532	0.6
121.02817	0.6
135.04445	0.8
149.02350	5.2
151.00269	6.7
159.04443	3.6
161.02362	1.2
181.06497	1.0
182.03716	0.9
183.04535	1.3
197.06071	1.2
201.05487	1.9
213.05667	0.9
225.05461	3.1
227.03465	1.5
260.98209	0.6
269.04559	100.0
269.18127	0.9
269.21219	10.6
269.24817	2.9
270.04855	9.4
270.21515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03314	0.7
59.01250	1.7
61.02580	0.6
62.96284	44.3
71.01264	0.7
74.45742	0.7
78.03950	0.5
83.01255	1.9
84.29004	0.7
90.97036	1.1
93.86625	0.6
97.06467	2.3
99.08031	0.9
105.98775	0.6
110.96923	0.7
113.09624	3.0
115.07505	1.1
125.05962	0.9
125.09634	6.8
139.11157	1.2
141.09071	3.4
143.06964	0.7
153.09135	2.7
171.10168	1.7
186.95583	3.8
197.19112	1.1
199.09631	1.1
200.10509	3.0
204.06682	0.6
205.15880	1.0
207.17435	3.4
217.79643	0.7
223.17014	1.4
225.18617	1.8
225.22356	0.6
233.15407	1.3
241.18069	0.8
251.16518	9.7
252.16721	0.7
269.04587	1.1
269.13303	19.0
269.17587	100.0
269.21127	13.1
269.24847	4.4
270.13535	1.3
270.17935	7.6
270.21262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1239
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
52.31674	0.6
55.59690	0.6
57.03320	2.9
59.01251	100.0
59.50196	0.6
60.01596	1.3
60.99181	0.7
66.93276	0.6
71.01254	1.2
71.04897	2.8
73.92554	0.6
75.72181	0.6
83.04913	1.3
85.02819	0.7
85.53941	0.5
87.00770	2.3
96.95875	0.6
97.02851	0.8
98.20591	1.0
149.06021	0.9
150.05573	0.6
151.05872	0.9
154.10500	0.5
154.65828	0.6
161.09689	1.2
161.13235	2.7
162.13548	0.9
163.11238	2.1
187.11295	0.7
195.08127	0.6
205.12263	0.7
207.10242	2.1
223.13348	31.4
224.13802	2.7
229.37439	0.9
249.11389	0.8
267.12473	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	269.082
Annotation	Isoliquiritigenin 4'-methyl ether
Peak:m/z	Relative Intensity
50.32488	0.5
50.54181	0.5
59.01261	1.7
62.96283	1.2
67.93370	0.4
68.99696	1.0
71.59330	0.7
85.02786	0.5
87.33348	0.6
90.97050	0.8
91.05429	0.7
93.03345	6.1
98.89343	0.5
105.03338	1.6
109.02829	1.5
119.04919	100.0
120.05238	3.2
120.42575	0.6
121.02836	3.0
132.06705	0.6
135.04445	2.1
137.02341	4.4
149.02357	16.2
150.02606	1.2
163.03920	1.8
183.01115	2.4
186.95566	3.3
200.52518	0.6
251.16348	0.9
266.93628	0.6
269.04788	0.9
269.08191	7.8
269.12115	5.3
269.17816	1.2
269.21243	12.8
269.24875	4.1
270.08447	0.8
270.21603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21387	0.2
53.75702	0.2
55.58015	0.2
55.66428	0.2
59.01257	0.3
69.88908	0.2
70.08193	1.1
71.01263	0.4
79.95613	2.3
84.24876	0.2
95.95131	0.7
96.95896	100.0
97.95844	0.4
98.19565	0.2
105.60724	0.2
149.90967	0.3
249.89281	0.3
265.14789	72.6
266.15118	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	265.2174
Annotation	Hydroprene
Peak:m/z	Relative Intensity
57.44973	0.4
59.01237	0.8
62.25158	0.4
71.07330	0.6
72.49121	0.4
76.31003	0.5
96.95895	7.4
103.24744	0.4
108.94360	0.4
160.58664	0.4
166.13026	0.4
196.69537	0.4
245.58896	0.5
262.14859	0.4
265.14935	5.6
265.21719	100.0
266.15250	0.5
266.22070	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	266.1033
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
63.29365	1.9
70.75307	1.7
70.75644	4.3
72.04437	8.9
73.21929	1.8
82.02862	100.0
82.15332	1.9
84.04432	2.2
85.02837	12.2
88.03925	4.0
96.95908	2.3
98.02356	4.4
100.03931	55.3
101.02335	4.0
101.04175	1.9
102.58200	1.7
104.54068	1.9
107.04920	2.4
111.35973	1.7
115.54613	1.8
116.76194	1.8
119.04925	47.4
128.03435	20.2
129.01842	9.2
132.02933	6.8
148.42699	1.7
150.05562	2.3
173.84966	1.7
192.10268	2.6
220.09766	52.9
221.10065	2.2
248.09245	23.4
263.07831	1.9
266.10352	95.5
267.10672	6.3
280.76028	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46628	2.8
51.79726	2.3
52.41190	2.6
55.01744	6.3
57.03328	4.0
59.01250	90.9
67.78378	2.4
71.01257	100.0
71.57227	4.9
72.99185	5.3
73.02824	33.9
76.57401	3.1
77.19843	2.4
83.01266	13.1
85.02821	39.0
87.00742	4.7
87.04411	3.7
89.02322	49.3
95.01255	8.2
97.02827	4.2
99.00763	8.0
101.02329	97.0
102.02621	3.9
105.05453	20.0
113.02335	47.5
119.03397	19.1
143.03352	8.3
159.02908	8.6
161.04485	50.2
179.05542	3.5
199.21097	3.1
267.07285	4.2
267.07816	4.9
267.10834	42.1
268.10971	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	265.1444
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.56019	1.5
57.03339	1.8
59.01250	5.4
65.03850	9.1
71.01257	6.9
80.96402	3.2
81.03333	26.4
83.04900	30.1
84.02036	1.7
85.02823	2.8
93.03350	17.5
95.01312	1.5
95.04920	5.4
101.02288	1.7
109.02833	7.1
109.06483	3.1
110.03609	5.6
111.04414	66.3
112.04764	2.3
121.02837	3.3
122.03607	2.6
123.04376	1.9
124.31344	1.7
125.09558	2.5
138.15569	1.8
139.11171	7.8
140.99188	1.6
149.84413	1.8
155.10695	3.4
171.10204	5.1
177.12769	7.2
190.97928	1.5
193.15933	15.8
199.68059	1.9
201.11275	2.3
215.17339	1.8
219.13904	6.4
221.11780	18.2
237.14938	90.1
238.15308	5.3
244.03355	1.8
247.13428	19.3
265.14447	100.0
266.14798	7.1
266.22586	1.7
281.59201	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
53.16124	0.8
55.86489	0.7
57.03327	9.9
57.03550	0.8
58.72971	0.6
59.01266	2.7
60.85565	0.7
65.84795	0.7
69.03356	0.7
71.01271	0.7
71.76910	0.6
73.52872	0.6
76.29107	0.7
80.96404	1.0
81.03326	1.3
83.04908	1.1
91.29666	0.7
93.03354	1.2
95.01292	0.8
95.04904	44.3
96.05273	1.7
97.02797	1.2
97.06486	5.7
109.06487	7.4
121.02849	1.0
121.06535	1.2
121.34550	0.6
123.08083	2.3
125.09618	17.1
126.09907	0.8
131.82185	0.8
142.10175	0.8
163.11221	6.2
179.14343	8.4
181.60637	0.8
185.11734	3.8
203.14381	1.0
207.10277	7.2
221.15477	1.1
223.13353	100.0
224.13669	6.2
235.02184	0.8
247.13414	2.8
265.07013	5.2
265.14429	33.4
266.14764	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60829	1.7
57.03317	3.0
59.01256	38.6
60.17781	2.0
70.79525	5.5
71.01258	20.8
72.99178	1.9
85.02832	26.6
88.03908	4.2
89.02319	26.6
90.02687	1.8
101.02320	16.4
103.03889	43.9
113.02319	11.1
119.03440	9.8
122.17255	2.1
124.73769	1.7
132.02896	6.9
145.04991	3.2
151.93707	2.0
179.17992	2.2
258.31866	2.0
265.09274	100.0
266.09619	5.3
275.61111	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.8
58.00463	1.8
59.01253	52.7
64.98635	1.2
71.01261	27.4
71.56234	2.7
71.89844	1.4
72.99197	3.7
73.02803	2.6
83.01250	2.5
85.02831	28.1
87.00732	2.3
88.03918	5.1
89.02319	27.6
95.01296	2.2
96.95889	4.7
99.87538	1.2
101.02323	16.4
103.03892	40.2
113.02356	11.0
115.00231	1.5
117.05524	1.4
119.03403	10.1
119.09943	1.2
128.03473	2.4
132.02922	4.8
145.04976	1.5
160.05176	1.2
179.05536	2.3
207.99152	2.4
237.95445	1.3
265.09299	100.0
266.09726	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
51.10056	0.4
55.08567	0.5
59.01239	1.8
63.20858	0.5
71.01246	0.7
71.13561	1.1
104.77802	0.4
112.01170	0.5
180.06758	0.6
219.21143	1.0
233.42609	0.5
261.18652	0.8
263.20154	100.0
264.20486	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	264.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.3
59.01248	2.0
61.15126	0.9
66.52430	1.1
70.02853	25.1
70.28777	2.1
70.29178	2.9
71.01254	7.4
72.00774	1.1
79.95651	1.2
83.04898	2.3
84.05264	1.5
85.02841	1.2
91.05414	4.1
95.04929	1.0
96.95287	1.1
96.95899	19.4
96.99180	7.9
97.02825	4.0
98.03210	2.0
101.11885	0.9
107.04857	1.3
109.02847	3.1
110.03174	1.9
110.06818	1.4
111.04396	4.5
112.00323	1.0
112.04731	3.2
113.05959	3.6
114.01860	100.0
114.06336	2.5
115.02189	1.7
117.03338	8.9
119.08551	1.5
120.08866	2.5
122.03621	5.2
123.03970	2.3
123.08041	3.2
124.08410	3.1
125.05987	4.8
126.06268	3.8
129.01804	3.4
134.06017	24.1
135.04590	1.0
136.05185	4.5
136.08443	2.4
137.05409	5.3
138.06812	6.2
139.07433	9.2
140.07890	10.7
144.08075	2.8
146.04485	5.0
146.05956	2.0
148.05188	1.6
149.05556	4.2
150.06256	1.3
151.07561	18.5
152.04668	2.7
152.07886	24.6
153.05058	2.0
153.08669	13.4
154.09421	4.6
160.07610	3.2
160.12073	2.4
162.09982	2.2
163.07628	4.9
164.07889	6.5
167.06990	1.5
168.07323	1.5
186.10095	1.6
187.10593	1.1
188.07048	3.4
189.08832	2.2
190.09450	4.4
201.12836	1.7
202.13148	17.2
203.10681	2.2
204.11137	18.2
205.11826	36.5
207.27223	1.0
219.13809	3.7
220.14204	49.6
221.14508	2.9
232.06157	8.6
246.12198	1.6
264.13065	6.1
264.15775	2.1
265.07516	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	263.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.6
59.71984	0.3
62.10618	0.3
62.30104	0.3
71.59033	0.4
71.59444	0.5
79.95599	4.1
79.96024	0.4
113.02322	0.4
122.99715	0.4
135.96883	0.3
158.46381	0.4
169.06520	2.0
187.03944	0.6
199.11232	5.7
208.98972	0.4
219.17427	0.4
233.02751	36.9
234.03427	8.9
235.03917	0.4
263.07468	100.0
264.07785	8.3
264.16113	0.5
266.02499	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02797	3.4
59.01252	100.0
70.89875	5.0
70.90205	5.6
73.19740	2.8
80.96394	31.0
113.02315	3.7
170.06247	3.1
228.79449	3.5
263.12964	10.2
263.16583	3.5
263.20093	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62557	5.5
59.01250	100.0
64.49589	4.6
71.01273	7.0
71.58627	9.0
80.96393	99.5
101.02328	6.7
120.88442	4.9
201.12782	5.5
204.11511	7.0
208.46623	5.1
219.13759	5.0
263.12860	15.5
263.16620	5.9
263.20151	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48279	4.0
59.01254	100.0
63.90021	4.8
64.40451	5.0
71.47810	4.3
71.49816	4.5
71.54393	9.2
109.62286	4.6
119.74924	4.4
132.88866	5.1
138.76582	4.5
186.82329	5.0
201.47595	5.1
201.99591	4.1
203.73814	4.6
247.85934	5.9
263.12888	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	263.1289
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
50.51912	1.3
51.75909	1.3
55.01746	3.4
55.60019	1.2
56.53812	1.4
57.03327	3.9
59.01255	2.3
67.01771	2.4
69.68991	4.9
69.69424	4.2
70.02862	3.0
71.01262	7.7
79.05384	1.7
80.02547	1.8
81.31970	1.7
83.04917	4.9
85.02826	1.9
91.25121	1.2
93.58115	1.3
95.04915	3.3
96.95902	16.8
97.02844	13.2
105.06996	3.3
107.04922	3.8
108.05704	7.2
109.02853	8.6
109.06508	4.4
111.04404	12.8
111.08069	1.9
113.05985	11.8
114.01846	15.9
119.08544	6.6
121.06462	5.1
122.03633	19.0
123.08038	8.8
124.05135	1.7
125.05965	19.7
134.06035	3.6
135.08072	5.1
136.05203	19.1
137.05981	9.1
137.09599	1.5
138.06770	22.6
139.07553	40.8
148.05234	10.4
149.05965	4.8
151.07564	80.6
152.04683	10.5
152.08360	45.9
153.09149	13.8
159.11720	6.0
161.09668	8.3
163.07608	16.4
167.07085	5.3
171.08054	2.3
175.07524	1.6
185.09674	3.0
186.10457	2.3
188.08397	5.5
189.09134	10.1
201.12817	35.1
202.13123	1.5
203.10710	29.6
204.11507	68.6
205.11874	4.4
219.13872	100.0
220.14223	6.7
227.58691	1.5
232.06093	1.9
248.10649	1.8
263.05945	1.7
263.12897	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	261.1343
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
53.64060	0.6
55.01757	1.9
59.01251	58.7
67.56000	0.7
70.02855	1.6
71.01249	0.7
71.12325	1.0
71.12659	0.8
73.02819	100.0
74.02349	12.1
74.03161	1.6
75.33097	0.6
75.99254	0.7
94.54914	0.7
98.02358	3.1
109.40453	0.8
115.35648	0.7
116.03426	6.4
117.01853	1.2
125.09631	5.0
127.07543	0.9
128.03427	1.0
132.04460	3.9
139.11131	1.1
144.04417	1.9
157.95476	0.7
169.08638	3.1
181.12251	2.3
183.10263	1.2
187.09700	51.5
188.10078	2.1
199.13353	14.7
201.06714	1.5
201.11267	46.9
202.11595	2.1
225.11353	0.8
229.05280	0.7
243.12358	19.9
244.12849	0.7
261.08820	2.8
261.13425	95.3
262.13773	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	263.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79789	0.4
57.24252	0.4
57.73601	0.5
59.01264	2.4
59.13678	0.5
65.03802	0.6
68.03522	0.5
69.38976	4.1
71.01250	0.7
79.95589	4.9
93.46643	0.4
108.81958	0.4
115.48724	0.4
167.50166	0.5
169.06523	1.6
199.11258	5.8
219.13763	0.6
233.02751	42.2
234.03464	11.2
263.07468	100.0
264.07794	8.9
266.02530	6.9
267.03018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16763	0.3
54.51365	0.3
59.01231	1.1
71.58589	0.6
73.60295	0.3
79.95597	4.8
91.75180	0.4
94.49177	0.3
109.21250	0.4
151.43192	0.3
169.06453	2.2
170.07233	1.2
188.01535	0.4
199.11223	3.7
201.12868	0.5
202.06346	0.6
204.11595	0.4
214.23557	0.4
233.02745	38.6
234.03433	9.1
235.03841	0.4
235.13197	0.6
256.20233	0.3
263.07458	100.0
264.07809	8.9
264.12674	0.4
264.15851	1.1
266.02539	8.1
267.02841	0.6
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
56.56990	0.7
58.02850	12.1
59.01248	4.9
65.62303	0.7
70.02852	10.1
70.12917	2.6
70.13323	0.9
72.00765	0.9
72.04413	4.3
74.02345	100.0
75.02673	1.3
76.27597	0.7
84.04421	4.6
86.02358	3.5
87.78616	0.9
91.34884	0.6
92.04929	2.5
98.02358	26.1
98.20583	0.7
110.02335	1.4
116.03424	52.5
117.03764	1.6
125.09644	0.7
128.03435	13.1
130.06491	2.5
131.02751	1.1
131.03671	14.7
132.04460	45.1
133.04752	2.2
137.13943	0.8
140.04990	1.1
144.04442	15.8
146.06038	4.1
157.05269	1.2
157.07642	6.8
158.06017	14.3
159.06308	1.2
173.07176	2.2
175.08705	10.7
187.09685	1.0
199.08717	3.0
201.06647	11.8
217.09769	5.9
219.07706	17.7
220.07907	1.1
233.04584	0.8
236.69930	0.7
243.07651	1.3
247.28114	0.7
261.08795	39.8
262.09061	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	261.0881
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
58.02850	35.6
59.01234	2.1
69.76105	2.5
69.76526	2.7
70.02849	1.3
74.02349	8.7
84.04424	4.8
86.02338	1.4
86.05997	2.1
92.04948	5.4
93.26341	0.7
98.02359	3.7
110.02353	0.8
116.03409	5.7
118.02849	0.9
118.06532	2.5
118.41922	0.8
128.03448	11.3
130.06508	1.6
131.03673	46.8
132.04471	16.4
144.04445	5.9
146.06012	6.0
147.05504	2.3
157.07623	33.3
158.04720	1.7
158.06021	33.7
158.07976	1.5
159.06407	1.6
160.03970	1.8
175.08690	31.8
176.08994	2.4
189.06589	5.1
199.08669	3.0
201.06592	3.5
217.09795	5.8
218.10202	0.9
219.07710	34.9
220.07971	1.7
243.07687	1.8
261.08801	100.0
262.09134	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	261.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40107	1.1
57.21049	0.9
58.02851	20.0
59.01245	6.2
62.50905	0.9
70.02846	8.8
71.54940	2.2
72.04423	5.0
74.02345	100.0
84.04427	4.6
86.95306	1.0
92.04936	4.2
93.03359	1.0
95.04893	2.7
98.02351	27.1
98.02948	1.9
100.87513	1.0
109.02837	1.2
116.03422	41.1
121.02827	1.1
124.89604	1.1
128.03436	11.6
130.06509	2.7
131.03662	38.8
132.04454	51.6
133.04802	2.4
137.02373	2.2
144.04454	11.6
146.06041	3.4
147.05519	1.5
157.07626	24.1
158.06035	16.9
158.07968	1.6
159.06342	1.1
165.01904	2.2
175.08698	18.4
189.06650	1.9
199.08832	2.6
201.06659	8.3
210.62929	1.0
217.09799	4.1
219.07710	16.6
243.07469	1.2
261.04236	2.1
261.08829	50.6
262.09161	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83138	0.7
58.65546	0.7
59.01249	22.7
64.58929	0.7
71.45580	1.8
73.66725	1.0
89.08662	0.7
99.83321	0.8
101.35546	0.8
101.54196	0.9
114.15562	0.8
122.23646	0.7
122.36123	0.7
127.11195	0.8
137.09634	7.8
154.36314	0.9
155.10680	100.0
156.11031	4.6
171.10194	16.1
172.10561	1.0
199.09685	28.1
200.10109	1.7
215.12852	2.8
217.10754	76.4
218.11124	4.5
259.11832	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	259.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27915	6.7
60.51015	6.4
65.24055	6.7
71.59190	9.5
78.20271	7.2
89.54594	6.8
149.43019	8.3
171.10187	6.8
209.11763	100.0
210.12057	9.2
259.02344	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	260.0233
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
53.06970	1.8
57.03322	2.6
67.29172	1.8
70.07607	5.5
72.00790	15.2
72.04420	13.7
73.02808	2.9
74.02345	16.3
75.57014	1.8
79.07356	1.6
79.91500	2.0
79.95602	35.4
80.27192	1.7
80.96414	2.5
82.02858	28.1
83.01266	4.9
84.04416	4.1
86.05992	8.2
93.03342	26.0
98.02364	21.6
99.00743	3.9
100.03922	19.2
101.02325	26.4
106.04128	4.2
107.04928	3.3
108.02111	1.8
112.03938	3.8
114.05489	11.3
119.04922	87.5
120.05267	2.3
128.03410	4.3
131.03683	3.0
132.04414	3.8
132.06570	33.4
135.04401	9.4
136.07568	6.5
142.08650	6.4
143.05234	3.2
152.07062	3.3
154.08710	2.0
158.06033	2.1
163.03938	15.9
170.08109	3.8
180.06584	84.7
181.06860	3.0
185.99883	3.2
196.06030	2.4
196.11292	2.0
198.07678	14.9
199.00630	43.5
200.00928	2.3
214.07172	9.8
215.00159	17.3
216.08765	6.1
217.98897	3.8
242.06644	9.6
260.02347	100.0
260.07727	50.5
261.02618	7.4
261.08234	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	259.0225
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
59.01235	2.5
66.24119	1.4
69.38959	5.8
69.39383	6.7
71.01244	4.2
72.99178	2.9
74.02351	2.2
78.95779	100.0
80.96387	1.6
85.18414	1.2
87.00774	3.2
87.05508	1.6
96.24365	1.5
96.96845	53.6
115.00227	1.6
122.89310	1.7
124.76521	1.3
125.02368	2.2
127.00208	1.5
132.03069	1.7
138.97887	2.9
157.96725	1.7
175.71825	1.6
213.05170	2.8
219.59964	1.4
241.01250	1.6
259.02258	20.1
259.05072	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	259.0974
Annotation	2,3-Bis(4-hydroxyphenyl)-1,2-propanediol
Peak:m/z	Relative Intensity
53.95979	0.5
54.23028	0.5
58.99770	0.5
59.01254	0.5
65.99766	0.5
71.59296	0.9
76.50114	0.7
84.92596	0.5
87.00711	0.6
93.03336	100.0
94.03686	2.7
95.01261	1.2
108.02053	21.8
119.88364	0.4
119.89317	0.5
130.04185	2.4
132.24573	0.5
141.05478	0.5
143.04984	1.1
156.05708	0.6
158.03621	0.5
171.04439	1.4
171.10274	0.6
172.05167	1.3
183.04474	5.1
183.10147	1.4
185.11737	0.7
199.03954	1.7
200.04726	35.8
201.05498	41.2
202.05803	2.5
209.11792	0.9
259.02521	1.0
259.09732	23.3
259.15488	8.7
259.19104	1.2
260.10068	1.6
260.16064	0.7
262.91016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03315	7.1
60.28272	0.8
66.81195	1.0
69.03327	3.6
69.52670	2.6
69.53094	4.8
71.01262	6.8
71.04894	27.2
78.34521	0.9
80.02582	1.0
83.04892	3.6
87.91013	0.9
95.04907	3.0
97.02817	1.4
97.06477	16.6
99.00762	13.0
109.06474	2.4
123.08049	11.6
125.09615	100.0
126.09942	3.8
153.09113	8.1
153.12788	4.6
161.09608	1.0
162.96135	1.0
163.11201	31.5
164.11543	1.6
172.71098	1.0
179.10695	3.1
181.12265	57.6
182.12558	4.2
195.13737	1.3
197.11806	1.0
207.10204	14.1
208.10600	1.2
210.15134	0.9
213.14911	3.3
213.56444	1.0
221.11867	1.1
225.11269	34.6
226.11623	2.3
239.12914	4.9
257.13934	64.1
257.23880	1.0
258.14319	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	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
53.07983	13.3
134.61099	14.0
134.89450	19.0
146.37354	12.4
229.49847	16.3
253.21812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.045
Annotation	Imidacloprid
Peak:m/z	Relative Intensity
53.50607	0.9
59.01247	1.8
67.02883	0.7
69.52872	5.9
74.11092	0.7
85.99837	13.3
96.95894	1.7
126.01038	0.8
153.02158	36.2
164.69167	0.8
175.92583	0.7
207.04355	1.8
210.04314	3.3
251.64529	0.9
254.04486	100.0
255.04756	4.9
255.23283	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0924
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01752	3.7
57.03325	1.3
58.00456	5.1
59.01252	100.0
60.01581	1.4
69.25965	1.9
69.26372	12.0
71.01257	65.7
72.99182	5.2
73.02813	7.7
75.00792	1.2
78.26280	1.0
83.01254	7.3
85.02824	14.2
87.00751	8.3
89.02322	52.5
91.03851	2.1
95.01260	4.5
97.02841	2.0
97.68294	1.2
98.20541	2.7
99.00761	1.6
101.02324	61.5
102.02686	1.6
108.51035	1.1
113.02337	28.5
119.03394	15.6
126.26556	1.1
131.03415	3.2
143.03429	6.0
149.04556	2.0
161.04483	22.6
171.47050	1.2
179.04149	1.1
179.05482	8.1
184.53458	1.2
253.09267	55.2
253.21732	1.9
254.09648	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	253.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.1
57.03326	2.2
58.00470	5.3
59.01254	100.0
62.08004	0.9
71.01257	69.1
72.01601	2.1
72.99175	4.0
73.02814	7.8
83.01262	7.7
85.02831	16.0
87.00768	6.3
89.02320	64.1
91.03882	2.2
95.01268	4.4
97.02843	1.3
99.00753	1.9
101.02329	74.8
113.02334	30.6
119.03403	17.5
125.02268	1.5
129.01797	1.1
131.03423	3.8
140.18201	1.0
143.03423	7.2
149.04442	1.6
161.04488	23.2
178.41478	1.1
179.05548	7.6
203.38148	1.2
229.37958	1.3
230.04626	1.1
253.09265	63.4
253.21664	3.4
254.09572	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	253.0928
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01767	3.8
57.03315	1.8
58.00462	4.6
59.01252	100.0
69.39482	9.3
69.39914	10.2
71.01257	61.4
72.99181	5.2
73.02825	10.5
80.96453	1.8
83.01255	5.7
85.02822	14.5
87.00744	6.9
89.02317	51.0
91.03874	3.9
95.01246	5.9
95.25960	1.9
97.02806	2.1
99.00741	3.2
101.02324	62.6
102.02648	3.7
113.02348	24.3
119.03403	14.5
137.94644	2.1
143.03317	4.9
159.60074	2.3
161.04478	20.1
167.62207	2.4
179.05481	6.0
236.66420	2.2
246.48460	2.4
251.23727	1.9
253.06723	3.5
253.09280	48.1
254.09550	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.6
60.70207	0.5
70.02552	1.0
70.02959	2.3
71.01259	8.5
72.00814	0.6
88.03918	93.0
89.04245	1.2
91.05410	2.9
114.01856	5.4
115.00258	15.4
132.02927	100.0
133.03304	2.0
134.06055	0.9
135.04410	4.0
185.47734	0.5
206.08145	1.5
236.84039	0.5
250.07202	13.1
250.14540	2.1
251.07562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
69.29896	5.8
70.02854	0.7
71.01260	8.0
88.03916	95.1
88.75912	0.5
89.04247	1.7
91.05408	3.3
96.99172	0.5
103.33321	0.5
114.01849	5.3
115.00254	16.5
117.03382	0.6
132.02924	100.0
133.03259	1.8
134.06013	1.1
135.04422	3.2
206.08226	0.8
232.06102	1.0
250.07169	11.4
251.07588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.165
Annotation	Oxylubimin
Peak:m/z	Relative Intensity
57.03312	1.1
59.01249	4.5
60.46316	1.1
62.26319	0.9
63.20018	1.0
69.03328	1.1
71.01264	2.7
71.57725	1.4
85.02800	1.4
96.95897	1.1
97.06477	2.9
99.08035	18.6
107.04926	1.8
123.08043	1.2
125.09621	14.4
137.09608	1.6
161.04417	1.3
161.13405	1.1
165.90025	1.1
189.16379	1.4
207.17461	9.1
208.17888	1.2
223.17010	26.4
224.17297	2.4
233.11801	1.1
233.15419	18.0
251.16556	100.0
252.16910	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	252.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70855	1.9
58.00452	1.9
59.01251	36.2
71.01256	22.6
71.57253	2.8
71.57618	2.3
71.94807	2.0
72.99160	3.3
73.02828	2.1
81.04461	11.9
85.02833	6.7
87.00764	2.7
88.03927	2.2
89.02317	19.0
97.03953	3.7
100.00304	3.6
101.02335	18.7
107.06045	14.7
109.03910	2.4
110.07136	4.3
113.02322	10.9
119.03402	3.8
127.74511	1.8
135.05559	7.3
137.07045	3.8
138.06635	42.4
161.04463	7.4
164.08180	8.7
208.07219	100.0
209.07529	5.7
242.45256	2.5
252.06287	21.2
253.09248	18.7
253.21539	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	247.1701
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
52.86119	0.1
71.16212	0.3
71.16563	0.1
102.69448	0.1
115.13938	0.1
121.02831	0.2
156.16591	0.2
179.07004	0.2
184.00121	0.4
194.39052	0.1
205.15961	0.3
219.10130	0.2
220.17039	1.5
229.45158	0.1
231.13890	0.7
247.02522	1.2
247.17021	100.0
248.07867	0.3
248.17363	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	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.4
59.56402	1.4
63.58935	1.3
65.43008	1.5
65.48329	1.2
69.40347	6.0
69.40781	5.9
82.48090	1.4
98.04601	1.3
101.71567	1.3
123.91235	1.3
127.07549	5.5
141.65448	1.3
149.09628	2.3
161.13440	1.4
165.86179	1.4
167.06819	2.0
179.10706	1.7
181.12267	21.4
182.12520	1.7
192.07886	2.0
199.07385	1.7
201.08882	2.5
203.10536	6.6
205.05496	1.3
205.12239	2.9
205.16016	1.9
207.09995	1.9
208.86079	1.4
211.05873	1.5
217.08395	3.6
219.09938	5.4
220.14670	1.8
221.11528	5.8
223.13116	47.0
224.13426	3.8
233.07898	6.9
235.09460	10.8
237.11037	15.7
241.14189	1.7
249.11095	53.4
249.14888	10.7
250.11368	5.1
250.14503	26.5
265.10565	11.6
266.10986	1.4
267.12140	100.0
268.12546	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	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.66869	1.4
59.01250	12.5
66.06223	1.3
66.40008	1.3
69.03330	41.7
69.77051	2.8
69.77442	5.0
71.01251	1.7
71.04899	1.5
79.95625	2.5
82.20922	1.4
83.04894	2.3
84.52028	1.7
85.57545	1.4
93.96461	1.7
95.04909	4.0
97.06448	2.1
107.04866	1.7
119.04874	1.5
134.07245	3.1
149.09616	2.3
149.13263	5.2
161.13332	2.0
167.10707	4.0
187.14888	4.2
193.12303	8.5
203.14313	2.1
205.12279	9.1
205.15897	15.4
220.14610	1.7
221.15405	20.2
231.13858	30.4
232.14191	4.6
249.07613	2.8
249.10950	2.6
249.14925	100.0
250.14526	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66635	0.8
54.53493	0.8
56.35271	0.8
59.01252	100.0
60.01553	0.9
71.58652	1.1
74.02345	2.3
97.06470	1.2
114.38885	0.9
125.61690	0.9
127.55343	0.9
139.45956	0.9
151.11131	4.9
169.12268	5.3
171.10178	1.4
184.96350	0.9
203.08284	1.2
245.04439	1.5
245.08391	1.9
245.11841	0.8
245.13908	21.4
245.16768	1.0
245.17558	1.1
246.10924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01255	1.2
60.99174	3.0
65.99735	1.0
67.01761	8.2
68.99439	1.7
69.03328	1.8
71.01251	2.6
71.35541	1.0
71.95688	0.6
72.99182	100.0
73.99541	1.1
81.03342	1.6
83.04887	1.1
85.02840	0.9
87.00757	12.8
87.01286	1.1
93.03337	56.6
94.03678	2.9
99.00759	1.0
100.00275	0.9
109.02827	0.8
111.04408	9.8
115.03929	0.9
115.33086	0.6
129.01833	1.8
133.02898	0.6
133.03969	1.4
135.03540	6.8
143.02448	2.6
146.02139	12.1
155.03409	2.0
163.03043	13.5
164.03494	0.8
168.78279	0.5
173.04475	78.0
174.04817	2.8
182.59135	0.5
182.71548	0.6
183.03674	8.9
184.04019	0.8
190.01144	3.3
191.05568	1.7
221.00909	1.5
247.04764	15.8
248.01926	1.6
248.04898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
56.96791	0.9
58.02849	22.2
58.75829	0.9
70.02854	12.0
70.05628	3.3
70.06029	1.7
72.00783	5.9
72.04420	4.0
74.02348	100.0
75.14653	1.0
75.56216	0.9
98.02364	23.9
116.03438	18.7
116.04948	34.1
117.05302	1.1
130.06508	4.5
142.06517	8.4
156.08145	1.2
159.09207	6.0
159.39748	0.9
168.65913	1.1
183.09177	2.0
186.05608	1.8
201.10329	7.3
203.08197	63.5
204.08524	5.9
245.09294	37.1
246.09631	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	245.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05170	0.6
58.02853	25.0
70.02856	16.5
70.04737	2.4
72.00780	4.9
72.04420	5.2
74.02347	100.0
92.64034	0.8
98.02363	23.6
116.03432	25.8
116.04949	35.6
116.81686	0.7
117.05276	1.7
130.06567	4.3
142.06552	8.2
159.09200	4.8
160.09630	0.8
183.09160	2.0
183.21069	0.8
186.05562	2.0
196.04811	0.7
201.10272	7.6
203.08218	75.8
204.08566	4.5
245.09297	49.9
246.09589	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	245.118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29782	0.3
59.01246	0.5
65.03838	3.0
68.99687	0.5
69.60577	0.7
69.60988	1.8
79.05396	0.3
89.03848	3.5
89.64679	0.3
90.09814	0.3
91.38577	0.3
93.03348	0.7
103.05412	14.0
104.05734	0.5
107.04906	0.5
109.02832	5.9
109.06458	0.6
115.05420	7.7
116.05741	0.4
117.03356	1.3
124.36002	0.4
130.04153	0.7
131.04874	0.7
133.02855	0.7
134.03632	3.8
141.07106	0.3
142.07767	0.6
142.47499	0.3
143.04921	0.5
145.02824	2.9
145.03766	0.3
146.03612	1.7
147.04413	9.2
147.05585	0.4
148.04785	0.9
156.05704	0.6
157.10129	15.5
158.03644	5.9
158.10419	1.5
159.04428	5.7
160.04797	0.4
161.02351	3.6
161.06004	1.1
162.03062	0.9
163.03911	6.3
163.75368	0.3
169.06609	0.3
171.04453	1.9
172.05182	1.5
173.02354	1.1
173.05923	1.6
174.03175	0.7
174.06786	4.3
175.03922	52.7
176.04347	3.6
183.04486	1.9
183.08115	0.5
184.04958	0.4
185.09654	1.2
186.03127	1.0
186.06836	0.4
187.03935	17.2
187.07555	14.6
188.04312	1.2
188.07956	1.1
189.05515	2.2
190.06194	0.4
190.09897	0.3
191.07068	0.5
194.07278	0.6
195.08162	0.6
197.06068	1.5
198.06738	1.1
199.07704	0.4
201.05528	0.7
201.09135	8.3
202.09906	11.6
203.10240	0.6
206.09399	7.0
209.09637	0.7
211.07571	1.4
212.08342	1.7
213.09148	19.2
214.06255	0.5
214.09578	1.7
215.07091	7.0
215.10698	1.2
216.07428	0.5
217.12390	0.3
219.06587	0.4
229.08658	30.2
230.09422	100.0
231.09773	8.0
234.08928	3.9
244.07399	0.4
245.11789	59.3
246.12158	6.2
262.08441	14.7
263.08884	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0816
Annotation	Torachrysone
Peak:m/z	Relative Intensity
50.39877	0.2
53.52198	0.3
57.03324	2.2
59.01254	0.4
67.01791	0.4
71.58347	0.4
71.58747	0.4
72.70212	0.3
80.02563	1.0
81.03336	6.0
83.04881	0.3
93.03339	1.9
95.04909	4.1
95.19206	0.3
96.94956	0.3
97.02837	1.4
105.07003	0.3
108.02065	0.5
109.02835	9.8
112.60463	0.3
115.05430	0.4
119.04910	0.3
121.02844	4.0
122.03649	0.9
123.04425	5.9
129.06960	0.3
131.04953	1.1
133.02855	0.9
133.06491	0.8
135.04436	1.7
139.03862	1.8
143.04904	0.7
145.02853	1.6
145.06508	0.8
146.03647	4.4
147.04440	4.2
147.14661	0.3
149.02357	2.0
150.03087	0.7
157.06508	2.2
158.03616	1.6
159.04427	15.1
159.07993	0.4
160.05209	4.8
161.02367	1.4
161.05997	13.8
162.03145	3.3
162.06387	0.8
163.03909	0.4
171.04424	0.7
172.05168	1.0
173.02344	1.4
173.05995	5.6
174.03152	4.1
174.06709	1.2
175.03922	9.9
175.07565	9.6
176.04329	0.6
176.07924	0.6
177.05544	0.3
183.04465	1.7
184.05234	1.1
185.06047	3.3
186.06670	0.7
187.03941	20.1
188.04713	15.1
189.05251	1.8
197.05920	0.4
199.03773	0.5
199.07568	3.4
201.01860	1.3
201.05524	4.7
201.09233	0.3
202.06296	7.1
203.03410	1.9
203.07077	39.7
204.07431	3.0
209.05997	0.6
211.03905	0.5
212.04752	4.1
216.04240	0.4
217.04993	2.6
217.08521	1.5
227.03456	0.9
227.07079	8.2
227.09317	0.5
228.07474	0.9
230.05794	2.4
245.04617	4.6
245.08162	100.0
246.04802	0.6
246.08514	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	6.8
59.01254	39.7
72.11732	3.1
73.02851	3.7
73.42741	3.0
79.53937	3.0
83.04899	3.0
86.33630	2.6
90.15607	3.2
92.51042	2.8
97.06468	13.3
102.98522	2.6
110.02377	5.3
123.08069	7.9
125.09617	100.0
126.09927	3.7
137.09569	3.2
139.11121	3.6
155.10744	3.3
163.11183	4.5
171.10225	4.9
181.12325	14.2
183.13878	6.4
185.11794	5.3
187.09732	8.6
199.03951	4.9
199.09654	4.4
199.13391	3.9
201.11252	66.7
202.11629	5.2
207.10234	6.0
211.13347	69.4
211.15384	4.0
215.12827	16.1
225.11313	31.4
243.02924	9.5
243.06555	8.9
243.10274	4.3
243.12411	20.4
243.15926	14.1
243.19693	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58737	0.9
56.49075	0.9
57.03319	6.8
58.00452	1.2
59.01250	42.4
63.04282	0.9
69.03317	1.6
71.01243	1.5
71.04865	1.0
71.58295	1.4
73.02811	5.6
83.04874	1.1
88.11770	0.9
95.04927	1.3
97.02823	1.1
97.06470	14.1
98.36123	1.0
110.02328	1.8
111.01936	1.0
123.08031	6.6
125.09615	100.0
126.09944	4.0
127.11201	5.4
137.09621	2.0
150.52727	1.0
155.10635	3.9
163.11182	2.7
165.09148	2.6
169.08626	2.1
171.10214	8.7
173.02145	1.3
181.12228	8.8
181.15941	1.4
183.10193	1.6
185.02390	3.0
185.11742	3.9
187.09685	9.9
199.09720	1.8
199.13303	1.1
201.11253	71.6
202.11578	4.5
207.10173	4.1
215.12845	16.3
225.11261	29.9
225.14699	1.7
226.11598	2.5
228.07880	1.5
243.02879	3.8
243.06580	2.5
243.10146	3.0
243.12328	13.5
243.15913	11.8
244.16255	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.4
65.01314	0.6
69.30108	2.3
69.30544	3.5
71.04881	2.2
72.99187	2.4
80.99760	0.5
83.04896	1.0
91.49509	0.5
97.02845	3.1
97.06479	1.0
98.20593	1.2
99.00760	11.1
109.06485	0.8
111.65536	0.5
125.09602	3.7
127.11233	0.6
131.03619	0.6
136.05205	0.7
142.02620	1.2
153.12758	0.8
155.14333	1.5
163.11211	5.7
167.80722	0.5
169.12241	1.6
171.10170	8.0
172.10455	0.6
181.12268	23.8
182.12595	1.9
197.11780	6.3
199.13339	30.0
200.13641	2.1
207.10204	24.2
207.12178	1.0
208.10532	1.6
225.11281	46.2
226.11615	3.3
243.02840	1.5
243.12354	100.0
244.12704	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03320	1.1
57.46255	0.6
59.01238	1.5
65.89647	0.5
66.56165	0.5
69.03323	0.9
71.04900	4.1
71.38458	1.0
73.02447	1.2
73.02823	16.3
79.95615	0.8
83.04870	1.4
97.02846	7.0
97.06444	2.4
99.00759	26.4
109.06467	2.1
110.03612	2.1
111.04400	0.9
113.35873	0.6
116.50830	0.6
123.08022	1.4
125.09616	10.4
127.11203	1.3
135.08052	1.3
136.05183	2.4
142.02635	3.5
151.91022	0.6
153.12732	1.5
155.14319	1.5
161.09656	1.0
163.11197	10.5
169.08615	0.9
171.10167	1.1
179.10678	0.9
181.12274	29.7
182.12576	2.0
187.36964	0.6
197.11795	1.9
199.13335	28.5
200.13644	1.8
207.10213	55.9
208.10579	3.5
225.11281	100.0
226.11584	7.3
243.02986	1.3
243.12355	80.1
244.12671	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.71598	0.8
57.03316	1.6
59.01255	1.5
66.78086	0.7
69.27019	3.7
69.27440	4.3
69.91980	0.9
71.01257	1.7
71.04890	3.7
71.15091	0.7
73.02856	0.8
76.24303	0.7
83.04849	1.0
97.02843	3.9
97.06461	1.3
99.00758	15.8
109.06495	1.7
110.03622	1.9
123.08002	0.9
125.09624	5.8
127.11194	5.6
135.08032	0.8
136.05199	0.9
142.02612	1.7
153.12782	1.5
155.14319	1.9
162.15370	0.7
163.11183	9.4
167.26448	0.7
171.10188	2.3
175.52321	0.8
180.97603	0.8
181.12271	23.4
182.12672	1.3
183.10146	1.5
197.11761	4.0
199.13336	57.5
200.13661	3.9
207.10208	38.5
208.10573	2.9
215.12695	0.7
225.11282	77.1
226.11629	6.1
243.12354	100.0
244.12688	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	241.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.5
61.47948	0.8
71.04899	1.0
71.45367	1.1
81.03323	1.1
81.07626	0.9
83.04882	4.5
95.04925	2.1
97.00383	0.8
97.06461	10.6
98.06823	0.8
111.08038	10.1
147.11696	1.4
163.11191	3.4
165.12770	100.0
166.13084	7.2
197.15413	15.8
198.15799	1.3
209.11800	5.4
227.12883	1.1
229.14301	0.8
241.14366	4.8
241.18062	2.0
241.21695	3.5
241.23894	0.9
242.17531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01233	2.1
66.03368	21.0
66.16936	1.6
68.01282	3.6
71.01255	3.9
71.56329	3.5
71.56693	2.3
82.02856	35.7
83.01270	2.4
83.04900	2.4
87.00751	60.8
90.95759	2.2
93.03329	17.6
94.02847	3.5
110.02364	100.0
111.01895	5.9
111.02690	4.6
111.04389	7.5
122.02383	9.1
124.03924	3.5
137.02338	8.2
140.03482	11.0
152.03467	16.9
153.02936	3.5
155.03378	2.6
167.04489	2.3
200.05585	30.0
243.06354	18.6
243.16040	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.99939	1.2
54.27907	1.1
57.03323	4.6
59.01255	40.8
71.01251	3.5
73.02829	6.0
73.55507	1.0
95.04848	1.3
97.06469	14.2
99.00748	1.6
110.02383	2.3
123.08076	8.2
125.09620	100.0
126.09966	4.1
127.11196	4.4
130.10440	1.3
137.09695	1.7
139.11150	1.9
143.10779	1.1
155.10744	2.1
165.09148	2.5
169.08629	3.1
169.09998	1.3
171.10179	6.1
179.10762	1.3
181.12271	9.2
182.12672	1.3
183.10168	2.3
185.11748	2.8
187.09669	10.5
199.09750	3.0
201.11272	71.0
202.11603	5.3
207.10222	4.9
215.12830	18.6
216.13069	1.4
225.11301	30.1
226.11713	3.4
243.03004	5.5
243.06671	1.6
243.12349	19.5
243.15948	6.4
244.12747	2.0
254.82236	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
52.09761	0.5
57.03336	1.8
59.01263	1.0
61.63905	0.5
62.18637	0.5
69.03343	2.1
69.34769	1.0
69.35179	4.3
71.04893	4.5
78.26534	0.4
93.03355	0.8
106.59386	0.5
119.04918	11.7
121.02837	4.8
123.08063	0.8
125.09624	1.9
135.04445	2.2
137.09631	1.0
151.11208	1.4
153.12769	3.9
161.09773	0.6
164.28717	0.5
177.09183	0.7
179.10687	5.3
181.12193	0.7
195.13818	1.2
197.11761	100.0
198.12129	7.7
218.66722	0.5
223.09711	5.8
230.84636	0.5
241.05540	3.1
241.10768	37.7
241.14355	6.1
241.18047	1.4
241.21672	2.6
242.11026	3.1
242.17621	0.8
253.39807	0.5
257.27292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03321	2.2
69.03328	2.9
69.46315	5.2
69.46722	0.9
71.04921	3.4
75.01958	0.7
75.60774	0.6
83.04916	0.9
97.06466	1.0
113.75532	0.7
123.08017	1.4
123.76537	0.7
125.09599	1.6
129.32872	0.7
137.09669	1.4
151.11188	1.3
153.12756	4.3
161.09637	1.6
179.10707	6.6
180.11151	0.9
197.11768	100.0
198.12085	6.5
223.09717	2.3
241.10780	59.9
241.14287	3.7
241.21651	1.7
242.11053	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	237.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	11.7
57.03326	12.2
58.00454	2.1
59.01254	73.2
59.28720	1.8
64.20656	2.0
69.03340	1.9
71.01257	100.0
71.57871	2.5
71.58262	2.2
72.61503	1.9
72.99173	9.0
73.02818	37.0
75.00752	10.6
83.01266	23.6
85.02826	66.4
87.00755	9.0
89.02319	9.6
91.18564	1.7
95.01271	7.4
97.02848	3.2
99.00778	14.2
101.02325	88.1
111.00702	2.0
113.02338	38.6
115.39886	1.9
119.03381	3.6
119.56535	1.6
120.99509	2.6
129.01855	3.3
143.03455	3.7
147.09207	1.9
159.02896	7.1
161.04489	30.2
165.26401	2.2
187.87442	1.9
205.03520	2.2
237.09726	14.5
238.06963	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	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.7
59.01252	1.6
59.96587	0.6
62.18125	0.2
69.93021	0.4
69.93433	0.6
71.18547	0.2
74.98944	8.8
75.96084	0.7
75.98888	0.2
85.02828	0.7
87.00745	0.2
91.02083	10.2
92.02016	0.3
93.00010	10.0
98.19851	0.2
109.02857	0.2
109.06503	0.2
118.02970	0.2
123.08045	0.2
139.43326	0.2
149.00862	5.7
150.00899	0.3
150.98755	0.4
156.00119	0.2
161.04413	0.4
179.05530	0.8
189.65244	0.2
195.13864	0.7
206.99670	3.0
207.10196	0.3
207.99747	0.3
221.11786	0.6
223.02794	100.0
224.02826	11.3
239.05930	0.4
239.12877	1.3
241.03845	3.8
242.03951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.69488	0.9
57.03333	2.1
59.01253	5.9
65.04359	1.0
69.03341	1.3
69.32751	5.9
69.33179	4.4
71.01246	5.1
71.64184	0.9
73.02824	5.5
74.09987	1.1
81.43140	0.9
85.02805	1.2
98.20576	2.5
108.01929	1.2
123.08118	1.9
125.09618	4.0
127.11165	1.2
131.62558	1.1
137.09679	1.6
151.11195	2.7
153.09122	3.0
155.10706	2.6
161.09628	2.8
165.09163	2.0
169.12260	100.0
170.12566	7.0
171.10228	2.1
172.05022	1.6
179.10724	3.2
181.08620	2.5
183.10216	3.5
185.11684	1.7
195.13875	1.4
197.11769	19.5
198.12137	1.5
205.08661	1.4
223.09770	9.4
239.36998	1.1
241.10822	35.4
241.14410	6.8
241.18159	2.4
241.21774	6.7
242.11041	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	235.1701
Annotation	2-Hexyl-5-propylresorcinol
Peak:m/z	Relative Intensity
54.33300	0.4
59.01248	8.7
61.98676	0.4
64.26212	0.4
70.70925	1.3
71.01252	1.4
73.02824	0.7
73.33675	0.4
79.95608	1.3
80.02544	1.1
83.01219	0.5
85.02825	0.9
93.03346	0.4
94.02886	0.5
101.02332	1.0
108.02031	0.5
113.02348	0.7
115.12132	0.5
115.68389	0.4
121.02836	4.4
123.72618	0.5
135.04407	0.7
136.05199	15.5
137.05505	0.5
147.04427	0.4
148.05167	0.7
151.07556	100.0
152.07907	5.4
160.08841	1.2
163.07564	1.7
168.04237	2.2
177.09117	1.6
178.09912	1.5
179.10710	0.7
191.07066	0.9
191.10692	0.6
192.11549	0.7
194.59872	0.4
207.13823	1.5
207.17494	2.1
209.23610	0.4
217.15977	0.9
235.02588	0.5
235.06146	0.7
235.09998	1.5
235.13445	1.0
235.17007	20.8
236.10475	2.2
236.17386	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	236.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98611	0.3
52.90794	0.2
58.13925	0.2
59.01252	0.7
65.36362	0.2
71.04913	0.3
71.54854	0.6
81.40449	0.3
121.15034	0.3
134.03616	1.1
135.04422	0.9
136.05226	0.9
148.05203	13.4
149.05595	0.6
149.09618	1.3
158.33360	0.2
162.06857	0.8
175.07600	0.7
176.08337	1.4
177.09128	50.6
178.09465	3.2
190.09926	2.3
191.10658	1.3
192.11487	37.0
193.11868	3.2
201.09151	0.6
203.07054	0.8
217.08633	3.4
218.09428	10.1
219.09883	0.9
224.10562	0.4
235.75194	0.3
236.10501	100.0
237.10878	9.2
237.14690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34126	2.6
58.99481	3.3
64.38017	2.0
70.77645	7.9
71.99035	2.4
72.97420	7.4
73.01053	9.0
74.98980	3.0
82.02858	4.1
85.02827	3.0
96.04435	6.2
100.02143	32.4
101.00550	26.5
108.04442	16.5
110.02352	5.1
114.00076	23.9
116.01659	4.3
121.19069	2.5
127.00856	2.9
128.03398	3.3
135.22336	2.5
142.03230	38.8
144.00020	5.0
144.01155	100.0
144.99559	13.8
145.01466	4.2
186.02238	14.4
193.70018	2.2
217.89955	2.5
230.01227	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	230.0666
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.13837	1.5
57.10472	1.5
59.01245	5.9
65.03830	1.8
65.99727	3.3
68.01306	2.3
69.03322	5.9
70.65726	5.6
71.01247	11.9
71.05261	1.5
72.99184	5.3
73.02810	4.2
78.95773	4.2
81.03334	4.6
82.02858	1.4
83.01244	3.0
85.02825	5.1
87.00755	43.8
88.01051	2.3
96.95876	5.0
97.02830	5.3
97.80139	1.6
98.02349	3.9
99.00776	2.5
99.04367	2.0
103.00230	1.8
108.04376	1.5
109.02840	28.8
111.00784	3.0
112.00294	2.5
113.02327	2.6
115.00284	7.4
121.02809	4.1
123.04393	3.0
124.03947	8.0
125.02325	11.3
127.00224	1.6
127.03905	18.3
132.04454	11.2
139.03983	2.0
141.01804	2.1
141.81819	1.6
146.16730	1.6
150.01883	3.9
150.05525	6.7
153.01826	6.9
154.99657	3.4
166.04996	1.9
168.03014	1.4
169.01280	1.9
171.01537	2.5
171.02921	35.6
176.03468	16.6
189.03938	7.5
194.04544	15.1
212.05667	3.6
230.06651	100.0
231.06944	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.27750	0.2
51.07174	0.3
53.58698	0.2
57.03336	1.4
59.01239	0.4
59.61950	0.3
64.33896	0.2
69.03338	0.4
69.57818	0.5
69.58216	2.0
71.04904	0.4
79.27475	0.3
83.04893	0.9
84.02042	0.4
85.02832	0.8
92.41203	0.3
95.21300	0.3
109.25156	0.3
125.09616	2.4
127.11175	4.7
130.06514	1.0
143.10710	0.4
155.14342	1.4
158.06110	0.5
165.12758	0.9
167.14311	2.6
168.14635	0.3
171.10175	4.1
172.10506	0.6
183.13826	2.0
185.07127	2.3
185.11815	0.3
186.07593	0.4
193.12294	0.9
209.11768	4.2
211.13342	12.5
212.13617	1.2
229.06136	1.2
229.14406	100.0
230.01897	0.4
230.14758	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	228.0386
Annotation	Flonicamid
Peak:m/z	Relative Intensity
63.76213	7.4
65.32608	6.5
70.91476	19.1
73.22841	7.7
81.00810	100.0
91.58427	6.7
95.22179	8.5
115.89508	7.7
130.50412	7.8
135.47668	7.3
146.02119	18.5
146.16348	8.4
228.03899	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	227.1285
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
51.41764	0.3
57.03329	4.7
57.62339	0.3
59.01248	0.7
64.79742	0.4
69.03336	2.3
70.03722	0.4
73.02812	0.5
79.95634	0.4
80.02556	0.7
81.03323	1.9
83.04898	6.7
84.05258	0.5
93.30209	0.4
95.04921	4.4
97.06467	25.1
98.06783	0.8
98.19774	0.9
99.92513	0.4
103.03671	0.5
109.06429	0.7
114.69823	0.4
123.08049	1.4
123.76618	0.4
125.09607	1.0
133.10136	3.3
149.09616	3.6
151.11191	100.0
152.11537	7.3
163.11134	0.4
165.12718	0.9
167.10674	0.5
170.45679	0.4
177.09108	0.9
177.48096	0.4
183.13847	2.8
195.08406	0.8
195.10204	12.4
196.10565	1.4
199.13414	0.9
209.11787	4.6
210.12158	0.7
213.11200	3.0
222.88936	0.4
227.04973	0.6
227.07162	0.6
227.12845	12.9
227.16478	0.9
227.20007	2.6
228.13176	0.8
241.19052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.15873	0.3
58.00484	0.3
69.24678	4.2
71.04898	0.9
74.04401	0.3
78.06439	0.3
80.02541	1.7
81.03316	1.8
83.01204	0.3
83.04898	8.1
84.02044	3.4
90.70486	0.3
93.77807	0.3
95.04902	1.6
98.19794	0.6
109.06454	0.4
110.06685	0.4
111.08080	0.4
124.30684	0.3
125.05962	0.5
135.08101	0.8
147.11757	0.4
163.11182	5.3
164.11513	0.4
165.12764	4.2
181.12230	0.9
183.13853	0.6
191.10692	1.2
199.13351	3.1
209.11771	100.0
210.12122	8.8
210.13710	0.3
211.38467	0.3
227.12856	5.0
231.60474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.23200	0.4
52.43186	0.5
57.70818	0.4
64.49834	0.4
76.94629	0.4
80.02538	1.7
81.03319	1.4
81.46342	0.4
83.04893	6.9
84.01582	0.5
84.02044	2.7
95.04900	0.9
96.46723	0.4
125.05971	0.8
125.09658	0.5
135.08058	1.2
163.11200	5.1
164.11601	0.5
165.12762	3.7
181.12328	1.0
191.10683	0.9
199.13408	0.8
209.11772	100.0
210.12131	9.0
227.12816	3.7
235.04791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03322	0.5
59.01248	0.2
59.63779	0.2
69.03346	0.2
83.04916	0.3
84.41434	0.2
97.06503	0.2
111.08045	0.8
132.76387	0.1
165.12769	18.7
166.13127	1.4
169.65758	0.2
181.12318	0.3
183.13834	100.0
184.14172	7.6
191.10753	0.3
209.11792	2.4
227.12857	14.2
227.20166	0.4
228.13214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.35645	1.0
55.62431	1.3
57.03310	1.4
58.00480	1.3
59.01248	4.4
70.29198	1.0
79.95618	3.2
80.02535	1.9
81.03339	2.2
83.04907	10.0
84.02028	4.7
92.57699	1.1
95.03363	1.1
95.04899	2.0
98.19668	1.0
99.08024	1.0
99.47878	1.1
109.06430	1.8
125.05933	1.0
141.12720	4.4
142.04007	1.2
143.04913	1.2
151.11127	1.7
163.11177	5.2
165.12772	6.5
169.12302	7.8
171.13881	2.3
181.12257	1.8
183.13881	7.3
191.10736	2.7
198.03352	1.8
199.13362	19.2
200.13701	1.5
209.11789	100.0
210.12141	9.1
227.02794	3.3
227.07332	10.4
227.10881	2.1
227.12877	19.1
227.16412	4.0
227.20143	13.8
228.13124	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	227.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.8
71.19803	1.2
79.95613	0.9
80.02541	1.5
81.03333	1.4
83.01234	0.5
83.04892	5.7
84.02053	3.4
86.98136	0.5
92.03565	0.5
95.04906	1.4
125.05962	0.9
135.08112	0.9
145.13406	0.5
147.11679	0.6
161.37123	0.5
163.11229	5.5
165.12791	4.4
169.12277	0.6
181.12285	1.2
183.13837	0.8
191.10724	1.6
199.13338	4.9
200.13736	0.7
209.11777	100.0
210.12100	7.8
227.02803	1.5
227.07408	0.7
227.12854	8.3
227.20059	1.3
228.13171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1493
Annotation	Annuionone E
Peak:m/z	Relative Intensity
57.03333	1.0
59.01253	5.7
69.55807	6.4
78.42071	0.7
80.02502	1.0
81.03312	1.2
83.04878	1.7
84.01974	0.8
93.03341	2.1
95.01218	0.7
95.04900	1.0
97.02840	3.7
109.06470	4.6
109.73709	0.8
110.03618	1.3
123.04359	1.0
125.09594	0.9
136.05130	1.5
137.02396	1.7
142.02628	1.4
163.11201	6.8
163.14798	1.0
165.01782	1.1
169.12177	1.0
179.10571	0.9
180.04239	1.5
181.12286	6.8
181.15968	1.5
195.02910	2.6
195.06551	0.8
195.13853	10.5
195.40271	0.9
196.14165	1.0
197.15451	4.9
207.10228	21.4
207.13846	24.6
208.10561	2.0
208.14134	2.5
210.05225	2.5
225.11414	31.4
225.14906	100.0
226.11592	2.4
226.15233	8.5
236.37457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.4
59.01246	0.9
63.35183	0.4
69.43981	3.4
71.04874	0.8
80.02565	2.3
81.03325	2.5
83.04900	7.4
84.02042	3.2
95.04890	1.1
111.08050	0.5
125.05975	1.1
125.09628	0.6
135.08054	1.1
141.12766	0.7
163.11192	6.4
164.11586	0.5
165.12790	4.3
169.12199	1.5
181.12337	1.0
181.94917	0.4
183.13907	1.0
191.10730	1.6
199.13347	6.2
209.11777	100.0
210.12115	8.7
223.61980	0.4
227.07320	0.9
227.12849	6.5
227.16402	0.6
227.20171	2.3
228.13116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01242	6.7
59.36301	1.4
61.02977	1.5
65.00213	2.5
71.58721	1.6
71.59137	2.9
73.65263	1.4
81.03339	1.5
82.18385	1.4
83.04898	1.9
93.03349	4.3
97.02837	11.2
99.00778	2.3
109.06478	15.1
110.03628	4.2
123.04438	2.5
124.90988	1.6
135.08070	3.2
136.05244	3.4
136.98708	2.8
137.02345	2.4
142.02628	7.0
163.11189	15.0
174.80522	1.3
175.08936	1.9
181.12267	12.4
188.45854	1.7
195.02885	2.7
207.10208	76.8
208.10516	7.0
225.00494	1.7
225.11267	100.0
225.18535	6.9
226.11557	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	225.113
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03316	1.2
59.01258	4.0
67.01753	0.5
69.03315	1.0
71.01247	2.0
71.04891	1.2
71.59047	0.7
73.02808	2.0
80.02544	0.8
81.03333	1.6
83.04897	2.5
84.02034	0.9
84.04443	0.6
93.03339	1.7
95.01266	2.3
95.04903	8.3
97.02852	4.7
97.06457	0.8
99.04378	2.5
106.04094	2.4
107.04900	0.6
109.02820	2.3
109.06485	9.6
110.03635	6.9
110.06846	0.5
111.04397	2.2
111.08057	0.6
121.06513	1.1
125.05898	0.6
125.09623	1.4
135.08049	2.7
141.01953	0.7
141.16190	0.5
145.10130	1.2
147.08098	0.7
149.09673	1.1
151.11139	1.5
153.12726	1.8
161.09657	2.0
163.07503	0.7
163.11205	16.8
164.11494	1.1
165.09149	0.7
167.05939	0.8
169.12259	2.0
179.10741	3.4
181.12262	6.6
189.09143	6.1
195.02936	1.1
197.11760	2.0
198.07889	0.8
207.10207	40.5
208.10550	3.4
225.11282	100.0
226.07236	0.8
226.11642	8.7
228.83746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.113
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.79153	0.5
55.39438	0.5
59.01250	2.4
69.37610	5.1
71.04911	0.5
81.03346	0.6
83.01279	0.7
97.02834	14.5
97.06452	0.6
98.19804	1.1
99.00764	4.2
109.06467	3.3
110.03610	6.6
123.04417	1.1
125.09618	1.5
135.08058	2.0
136.05197	3.6
142.02625	6.6
151.07497	0.6
153.12764	0.7
161.09628	1.6
163.11198	12.7
164.11554	0.8
179.10640	1.6
181.12276	33.3
182.12602	2.4
197.11787	1.9
207.10220	81.9
208.10582	7.5
223.55923	0.5
225.11285	100.0
226.11612	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	225.1128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.88157	0.5
57.03337	1.0
59.01250	4.0
65.00179	0.8
69.03332	0.9
71.01282	0.5
71.04914	0.6
73.02832	1.9
80.41592	0.5
81.03329	1.3
83.04900	1.6
84.02064	1.0
85.02847	1.1
93.03358	1.7
93.13824	0.5
95.04929	0.6
97.02837	10.6
97.03404	0.9
98.19828	1.3
99.00805	0.9
99.04416	0.6
107.04918	0.5
109.02929	0.7
109.06480	12.8
110.03616	3.8
110.06811	0.6
111.04375	0.6
121.06480	1.4
123.04448	0.9
125.09653	0.5
135.08064	2.1
135.25464	0.6
136.05212	2.2
137.02396	1.7
142.02634	6.2
153.01880	0.6
161.09622	1.3
163.11209	14.3
163.12505	1.0
164.11594	1.4
165.01852	0.8
165.09056	0.7
179.10728	1.8
181.12286	15.2
182.12560	0.8
189.09073	0.9
195.02957	1.0
197.11810	0.8
207.10223	74.9
208.10548	6.6
210.05212	0.8
225.11290	100.0
226.11623	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	225.1129
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.02757	0.6
57.03329	0.6
59.01249	5.0
60.67704	0.6
69.03332	1.2
70.15202	2.8
73.02811	2.2
73.10725	0.7
81.03347	1.8
83.04893	2.3
84.02011	1.2
85.02804	0.9
93.03317	0.9
95.04899	2.5
97.02818	10.9
98.20505	1.1
99.00780	1.4
99.04417	1.1
106.04075	0.7
107.04894	0.7
109.02847	0.7
109.05716	0.9
109.06477	18.9
110.03608	6.2
110.06789	0.8
121.06535	1.2
123.04449	0.8
125.06034	0.6
125.09638	0.8
135.08076	3.3
136.05202	2.8
139.07556	0.9
142.02600	4.7
149.09700	1.0
160.57521	0.6
161.09628	1.7
163.11203	18.5
164.11516	2.2
179.10732	1.3
181.12280	14.0
181.13876	0.7
182.12671	1.1
189.09132	2.3
197.11749	1.9
207.10207	70.3
208.10550	4.8
225.11284	100.0
226.11633	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	0.9
59.01235	3.3
70.01854	2.5
70.73002	0.7
73.02799	0.8
81.03337	2.1
83.04899	1.6
84.02055	1.5
93.03338	1.0
94.30977	0.8
95.04894	1.2
97.02836	10.1
98.20557	0.9
99.00768	2.2
107.80385	0.7
109.06477	14.4
110.03596	5.3
111.08055	0.8
121.06466	1.1
123.04396	1.2
128.93478	0.7
135.08046	2.9
136.05202	3.6
142.02591	7.2
161.09650	1.8
163.11205	15.3
164.11504	1.3
164.38033	0.8
165.09132	1.2
179.10663	1.1
181.10754	1.5
181.12260	14.4
182.12589	1.8
189.09082	0.8
199.54796	0.8
207.10210	77.3
208.10532	6.6
208.61447	0.8
210.05276	0.9
211.31842	0.8
225.11284	100.0
226.11607	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	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.9
57.03323	16.3
59.01250	11.1
70.98048	0.8
71.01257	15.0
71.55479	1.3
72.99183	6.2
73.02834	2.7
74.98963	1.6
75.00743	7.3
75.81557	1.1
80.96426	1.2
83.01258	12.0
84.02048	3.0
85.02826	100.0
86.03156	1.9
87.00750	4.6
87.02613	1.4
91.02134	2.0
93.00011	1.7
93.79720	0.9
101.02326	11.7
103.00293	1.8
111.00764	39.7
112.01085	1.6
113.05054	1.1
117.03705	1.0
129.01833	26.3
129.02763	2.0
130.02139	1.1
135.01126	1.6
135.04720	3.2
147.02913	5.6
149.02341	1.9
151.03961	1.0
161.04475	2.4
164.04659	1.6
165.01826	1.2
187.02406	2.9
191.01965	2.0
193.01346	3.3
195.11490	0.9
205.03476	29.6
206.03790	1.4
208.03720	3.5
223.02699	5.1
223.04572	25.0
223.06464	2.3
223.13290	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.77634	1.0
57.03310	2.4
59.01257	8.2
60.25313	1.1
69.03334	10.2
69.93850	3.2
69.94247	2.2
70.46902	1.0
71.01221	1.1
71.04900	2.2
87.66143	1.0
95.04950	1.4
98.19888	2.1
109.06460	2.0
125.09677	1.8
149.09641	1.9
153.09131	1.6
167.10701	11.6
179.10692	4.6
179.14302	10.4
180.14612	1.5
195.13823	31.1
196.14241	2.0
205.12286	22.4
206.12695	3.2
223.13354	100.0
224.13690	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	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.9
57.03325	20.9
59.01254	12.2
64.90878	0.8
67.01746	0.9
68.99678	1.8
69.73746	1.5
69.74162	3.4
70.73169	0.7
71.00902	1.0
71.01257	16.7
72.99180	5.7
73.02821	2.9
74.26559	0.8
75.00752	6.5
83.01260	12.8
84.02031	3.4
85.02826	100.0
86.03165	2.9
87.00754	5.8
87.79757	0.9
88.01541	1.1
101.02327	11.6
103.00260	1.6
103.03886	2.2
111.00768	48.1
112.01092	1.4
116.59184	0.8
121.02852	0.9
125.02367	1.2
127.58044	0.7
129.01828	28.2
130.02162	1.0
143.03386	1.3
147.02884	6.1
149.02357	3.1
161.04468	2.2
164.04694	1.9
187.02399	3.0
191.01906	1.0
193.01462	1.9
205.03477	33.2
206.03813	1.2
208.03644	1.0
223.04530	27.0
224.04942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81252	0.7
55.01765	4.7
57.03324	16.5
59.01252	10.4
59.01701	0.8
59.52254	0.6
66.26735	0.6
67.01765	0.9
68.99687	1.2
69.47792	5.8
71.01254	14.3
72.99179	5.9
73.02823	2.1
74.98912	0.6
75.00750	7.3
82.02229	0.7
83.01262	10.8
84.02044	3.5
85.02827	100.0
86.03167	2.3
87.00748	4.6
88.01581	0.6
89.02316	0.8
99.00740	1.5
101.02332	11.0
103.00236	1.4
103.03880	1.2
111.00769	39.3
112.01101	1.4
117.40312	0.7
121.02816	2.1
125.02357	1.2
129.00870	1.2
129.01831	21.7
130.02132	0.8
133.04991	0.6
143.03403	2.3
147.02914	6.2
149.02338	4.4
150.46078	0.6
161.04445	2.3
164.04663	2.8
165.01816	1.3
165.09120	0.7
173.00841	1.1
179.07051	0.8
187.02377	2.5
191.01863	2.8
193.01414	4.4
197.15926	0.6
205.03476	29.4
206.03778	1.4
208.03688	5.0
214.69977	0.7
223.02676	4.3
223.04507	21.5
223.13283	1.9
224.05026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21597	0.5
55.01759	4.8
57.03326	18.3
58.00464	0.6
59.01252	8.4
60.17184	0.5
67.01766	0.9
68.99695	1.5
69.38334	4.8
71.01250	13.0
72.99184	5.7
73.02817	2.5
75.00742	7.0
83.01262	10.7
83.01765	0.5
84.01610	0.6
84.02045	3.0
85.02824	100.0
85.99987	0.8
86.03154	2.6
87.00766	4.5
88.01534	0.8
99.00767	0.7
100.19181	0.6
101.02325	13.5
103.00240	1.4
103.03893	1.9
110.62158	0.6
111.00762	48.4
112.01096	1.8
125.02315	0.9
129.01830	29.1
130.02159	0.6
130.22160	0.5
133.05000	0.5
143.03426	1.4
146.79570	0.6
147.02896	6.5
159.02876	0.8
160.37398	0.6
161.04472	2.5
187.02411	2.7
205.03477	38.1
206.03828	2.1
208.03745	1.2
223.02882	1.2
223.04546	29.3
224.04880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.0
57.03324	20.4
59.01255	10.3
61.21436	0.8
68.99674	1.4
70.28706	3.3
71.01256	15.9
72.99184	5.4
73.02817	2.9
75.00751	6.0
78.10962	0.8
83.01256	11.9
84.02041	2.7
85.02824	100.0
86.03162	2.2
87.00759	4.4
93.03352	1.0
94.31808	0.9
101.02322	12.6
103.00262	1.4
103.03896	1.5
110.87834	0.9
111.00767	45.6
112.01109	2.3
117.21405	0.8
121.02793	1.5
129.01828	25.7
139.03281	0.8
143.03394	1.3
147.02936	5.8
149.02348	3.1
157.89767	1.0
161.04472	2.0
163.03909	1.0
164.04655	2.4
165.01814	1.0
186.16203	0.8
187.02364	3.0
193.01392	4.2
194.53365	1.1
205.03468	27.7
206.03780	1.1
208.03752	4.6
223.02753	2.5
223.04536	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	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	6.4
57.03325	18.0
59.01254	10.0
63.34970	0.8
66.99458	0.9
67.01793	1.5
68.99691	1.3
70.26466	0.9
71.01260	14.5
71.56549	0.9
72.99188	6.5
73.01045	2.2
73.02808	2.9
75.00746	8.6
78.74902	0.8
79.91367	0.7
80.34499	0.8
80.41673	0.9
80.96368	2.3
83.01252	10.7
84.02052	2.9
85.02827	100.0
85.99967	0.8
86.03145	2.1
87.00761	6.4
87.02613	2.0
88.01619	1.1
89.00571	1.2
89.02319	1.9
90.63641	1.0
91.02120	2.3
101.02322	8.9
102.52567	0.7
103.00249	2.0
103.03886	1.4
111.00768	33.1
117.03680	1.0
117.25850	0.8
119.04941	1.3
120.99520	2.6
129.01845	19.6
130.02184	0.8
133.01341	1.0
135.01141	4.4
135.04776	4.5
138.44989	0.8
143.03416	1.1
147.02869	5.7
156.42822	1.0
159.02974	1.3
161.04475	2.2
169.53926	1.0
187.02350	1.4
191.01909	3.3
205.03473	23.4
206.03989	1.5
223.02705	2.8
223.04565	21.0
223.06462	1.4
224.04973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0279
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
53.19368	0.1
55.31712	0.1
59.01240	0.4
59.96592	0.9
65.50970	0.1
70.45291	0.2
70.45683	0.2
71.01228	0.2
73.01018	0.2
73.61063	0.1
74.98946	13.1
75.96087	1.1
75.98903	0.2
85.02831	0.2
93.00008	14.6
93.03326	0.2
93.99958	0.5
108.02062	0.2
110.55830	0.1
121.02855	0.3
123.00722	0.2
125.34211	0.1
149.00864	15.3
150.00830	1.0
150.98807	0.8
151.03978	0.1
152.96727	0.1
164.04707	0.2
165.01833	0.3
165.09109	0.3
175.61630	0.1
193.01328	0.9
195.13817	0.3
205.12152	0.3
206.99643	6.6
207.99649	0.7
208.03659	1.0
208.97604	0.3
213.58319	0.2
223.02782	100.0
223.13297	2.3
224.02820	12.1
225.00723	0.4
241.03853	3.7
242.03947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	6.5
57.03328	26.3
59.01254	10.0
65.73471	1.4
67.01773	1.8
68.99693	1.7
71.01254	14.5
72.99185	6.5
73.02814	4.9
75.00755	8.6
83.01260	17.5
84.02059	3.2
85.02825	100.0
86.03165	2.7
87.00758	5.8
98.20569	3.0
101.02322	12.0
103.00246	1.8
103.03917	2.1
105.72847	1.4
111.00767	40.6
120.64629	1.3
123.04583	1.5
129.01823	25.5
147.02911	4.3
161.04526	2.2
193.01376	2.4
205.03477	20.0
206.03897	2.1
222.55151	1.3
223.02650	2.4
223.04489	15.8
223.06157	1.7
224.04890	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	221.1542
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
58.10891	0.1
58.76169	0.1
59.01248	0.3
62.95888	0.1
71.10988	0.2
73.23826	0.1
101.05940	0.1
127.07515	0.8
148.05174	0.4
149.05789	0.3
151.07538	0.4
163.00340	0.2
164.08340	2.4
165.09023	0.3
178.98625	0.1
190.99747	0.2
205.12277	1.9
206.02118	0.2
206.12643	1.1
207.13878	1.6
220.14642	4.4
221.15414	100.0
222.15759	10.3
235.13370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1386
Annotation	Glutinosone
Peak:m/z	Relative Intensity
50.07272	0.2
55.01760	0.2
55.39896	0.2
57.03320	1.0
59.01241	0.2
62.35411	0.2
65.69662	0.2
68.10661	0.2
71.04895	0.4
76.85558	0.2
79.05412	0.4
81.03336	0.2
82.36698	0.2
83.04908	1.0
87.00742	0.2
92.66841	0.2
93.06971	0.7
98.20566	0.4
104.62996	0.2
109.02857	0.6
109.06486	0.2
111.04409	4.5
119.08547	0.4
120.05705	0.3
121.02714	0.2
121.06442	0.4
122.03617	0.3
123.04391	0.2
123.08029	0.2
125.05980	3.1
125.09627	0.4
132.04436	0.2
135.04402	0.3
135.08081	1.0
136.05185	0.5
137.09610	0.6
140.50130	0.2
148.05206	2.6
149.05971	0.7
149.09636	0.5
151.07558	0.3
157.07614	0.7
160.08784	0.3
161.06015	0.2
161.09648	3.4
162.06821	0.2
163.07558	2.9
164.08278	0.4
166.06302	0.3
170.05765	0.7
171.08089	0.5
175.07578	1.0
175.11214	0.8
177.09111	0.3
177.12784	0.8
179.07115	0.3
183.11775	0.3
185.09616	0.3
186.10437	0.8
188.08350	1.3
189.09140	3.7
189.12775	0.8
190.09528	0.3
191.10718	0.2
191.14203	0.3
196.07285	0.2
201.12790	10.5
202.13098	1.1
203.10715	12.5
204.07849	1.1
204.11490	33.8
205.11873	2.9
219.13863	100.0
219.17470	11.7
220.14223	9.9
220.17491	1.2
236.10480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1022
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
56.72601	0.5
59.01273	0.8
61.98691	0.5
67.86306	0.4
71.13827	0.6
71.14160	0.8
81.97984	0.6
90.43765	0.5
93.03336	0.8
108.02058	21.9
117.07037	0.6
121.02844	40.9
122.03218	1.6
133.06496	0.5
133.59193	0.5
135.04436	1.2
136.01520	0.6
137.02344	1.8
140.01044	0.8
146.03633	0.9
149.02357	10.6
150.03165	9.8
154.00529	0.4
154.64728	0.5
159.04446	1.0
161.05989	22.6
162.06329	1.3
163.03856	2.6
164.04462	0.7
175.07541	2.7
176.08351	30.1
177.08707	2.4
179.07068	23.6
180.07419	1.2
185.06046	1.3
186.06801	0.9
189.05508	4.5
192.07910	1.0
196.03706	1.9
203.05406	0.3
203.07086	9.5
204.07861	97.5
205.08194	8.2
208.07362	7.5
209.07715	0.6
219.10217	100.0
219.17470	19.9
220.10574	9.1
220.17818	2.1
229.38225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31998	0.6
59.01226	0.7
61.98706	1.6
69.26601	6.9
75.00769	0.6
79.40073	0.6
89.50829	0.6
97.99186	0.6
108.02061	18.2
121.02846	42.1
122.03212	1.3
135.04382	0.9
136.62543	0.6
137.02315	1.2
143.04958	0.9
146.03534	0.9
149.02350	9.1
150.03159	11.5
157.06488	0.7
161.05995	20.8
162.06418	1.0
163.03947	2.7
163.63513	0.8
175.07550	1.9
176.08337	26.8
177.08710	2.1
179.07059	23.4
180.07410	1.3
185.06084	1.5
189.05559	3.6
189.09178	0.8
191.06993	0.9
192.07814	0.7
196.03667	1.1
201.09074	0.8
203.07072	9.1
203.14392	0.9
204.07855	87.6
205.08231	7.1
208.07368	8.0
219.10220	100.0
219.17484	58.3
220.10580	8.4
220.17775	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	218.1029
Annotation	Pantothenate
Peak:m/z	Relative Intensity
52.34753	1.3
59.01238	2.4
70.25011	3.8
70.25407	3.0
71.01252	14.2
71.04892	23.1
84.31926	1.3
88.03912	100.0
88.70766	1.8
89.04232	1.8
99.04412	7.6
108.14971	1.6
115.93156	1.6
116.07052	3.9
144.21950	1.5
146.08133	47.1
147.08493	2.1
193.19769	1.3
218.10243	12.6
219.17479	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01252	0.7
69.87975	1.1
69.88390	1.2
95.76261	0.4
96.43328	0.3
98.19810	0.8
103.41283	0.4
112.52996	0.3
165.12775	0.5
173.73933	0.5
177.12831	0.4
183.13834	34.9
184.14189	2.5
195.13849	28.1
196.14226	2.4
211.13451	0.7
213.14914	100.0
214.15282	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	217.1076
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
59.01248	2.7
60.21498	0.4
70.82814	0.3
70.83150	0.8
72.99190	0.5
78.59032	0.3
83.04901	0.3
85.02838	0.3
87.00745	0.6
95.01288	0.4
115.00291	0.7
125.09595	1.6
127.11163	3.4
137.09619	3.8
148.05157	0.5
153.09084	1.6
155.10683	42.6
156.11015	3.3
157.01366	0.3
171.10181	60.9
172.10518	4.1
181.08640	0.9
199.09705	6.8
200.10010	0.8
215.09229	0.6
217.10757	100.0
218.11095	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84877	0.4
58.23776	0.4
59.01238	0.4
60.33526	0.5
68.77981	0.4
69.03330	0.8
79.33842	0.5
83.04908	0.6
98.19830	1.0
102.66162	0.6
111.24071	0.4
141.32768	0.5
143.17558	0.5
164.64537	0.4
165.12805	0.9
167.10722	0.7
167.14287	2.3
183.13832	16.6
184.14188	1.2
193.12305	4.6
211.13345	100.0
212.13699	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	213.1129
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
54.23827	0.3
59.01255	0.5
60.24276	0.3
63.68821	0.3
65.01309	0.4
69.03313	0.5
69.33276	3.4
69.33598	0.3
71.01270	0.4
83.04905	0.4
84.02038	0.3
95.04890	0.4
97.06462	1.1
98.20568	0.7
102.86214	0.3
124.99992	0.3
125.09609	0.3
135.08078	0.4
137.09624	1.1
142.12234	0.3
144.44278	0.3
151.11198	13.4
152.11488	0.7
153.09125	0.8
169.12263	100.0
170.12607	7.0
181.08624	0.8
195.10193	1.1
213.09242	0.8
213.11288	13.3
213.14995	1.9
213.18440	0.6
214.11543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.78669	0.4
56.16196	0.5
59.01257	0.6
59.66916	0.4
69.36604	1.6
69.37028	2.7
94.02888	0.5
97.06496	0.4
105.96175	0.5
120.02054	0.8
121.02849	19.5
122.03201	1.1
124.03935	1.7
163.11211	0.5
165.12741	0.6
181.12247	0.7
207.83296	0.5
209.04459	1.7
209.11775	100.0
210.12128	8.6
212.54321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28918	0.4
54.64170	0.4
61.72392	0.4
68.70907	0.5
69.03331	1.2
71.16451	1.0
80.62200	0.5
83.04886	0.4
91.90824	0.5
112.39755	0.4
118.09602	0.4
123.08051	0.4
137.09630	0.5
154.16733	0.5
165.12834	1.1
167.10677	0.7
167.14349	1.6
183.13844	16.4
184.14186	1.3
193.12294	4.6
194.12677	0.7
211.13350	100.0
212.13722	8.0
224.81679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
69.03329	0.7
69.91846	0.8
69.92250	2.1
83.04884	0.5
98.20459	0.6
167.10670	0.8
167.14365	1.5
172.70076	0.4
183.13834	13.8
184.14143	0.9
184.74423	0.5
193.12239	3.6
211.13339	100.0
212.13664	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.7
70.01983	1.8
70.02392	0.6
79.78485	0.4
83.04890	1.0
85.71897	0.4
102.33142	0.5
155.10704	0.7
165.12770	0.9
166.01839	0.4
167.10693	0.7
167.14322	1.9
183.13837	16.0
184.14185	1.5
193.12239	3.4
211.13339	100.0
212.13681	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01237	0.6
65.00912	0.5
67.01762	2.7
67.29929	0.5
71.13212	0.6
71.13541	1.0
76.12910	0.5
81.44540	0.4
83.04906	1.1
85.06473	0.5
93.16727	0.5
97.06458	0.6
99.68204	0.5
117.42049	0.5
125.09644	5.0
137.02313	0.6
167.14330	3.0
175.11273	0.5
183.13837	3.3
193.12276	0.6
196.03654	0.6
211.13353	100.0
212.07240	0.6
212.13707	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	209.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01117	0.8
55.01751	1.1
57.03330	10.0
58.00462	1.2
59.01236	2.0
67.09982	0.7
69.03338	2.6
69.24592	0.8
70.92598	1.8
71.01257	21.9
71.04872	1.6
73.02829	2.2
80.02541	3.0
81.03334	3.2
83.01253	6.0
83.04901	7.1
84.02031	2.0
92.31018	0.8
93.03320	1.7
95.04904	5.0
96.79971	0.9
97.06475	8.6
107.04922	1.1
108.02064	1.4
111.08053	4.4
112.01514	1.1
116.39513	0.9
121.02853	24.8
122.03152	1.4
123.08036	2.1
124.03934	1.5
125.02326	1.6
125.09613	10.4
133.10129	0.8
134.03654	1.3
135.08076	2.8
137.09593	2.1
145.10115	3.1
147.11691	3.0
149.09644	1.5
151.11192	36.1
152.11574	2.2
153.12758	5.6
161.09570	1.5
163.09950	1.5
163.11200	13.1
164.27325	0.8
165.12766	27.8
166.13123	1.6
167.10728	2.2
173.09605	2.6
179.10698	5.9
180.11003	0.9
181.12276	44.1
182.12625	3.2
191.10738	18.3
192.11008	1.5
209.04517	1.9
209.11786	100.0
210.12103	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	209.1178
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.12326	0.8
55.01746	2.6
57.03324	5.6
59.01235	2.0
61.07293	0.7
67.01747	0.7
69.03316	3.0
69.88520	2.7
69.88936	1.9
71.01255	18.9
71.04891	1.8
73.02815	1.4
77.05902	0.8
80.02538	2.4
81.03325	3.2
83.01257	14.3
83.04897	4.7
84.02036	2.7
85.02839	0.8
85.67218	0.8
92.64503	0.8
93.03317	1.8
95.04886	3.4
95.71163	0.6
97.02832	1.1
97.06470	7.0
98.19920	1.0
99.04375	0.9
106.04124	0.8
107.04950	1.1
107.11423	0.7
108.02024	0.9
109.06483	1.6
109.81487	0.7
111.08041	3.2
120.02050	0.7
121.02855	19.5
123.08044	3.1
124.03977	1.0
125.02306	1.0
125.09609	15.6
129.71686	0.7
131.64998	0.7
134.03625	0.8
135.08034	3.0
137.09622	0.9
145.10159	2.2
146.02498	0.9
147.11693	2.8
149.09602	0.8
151.11194	25.8
152.11507	1.6
153.09084	1.0
153.12753	3.3
161.09641	1.2
163.11179	11.6
164.11528	1.1
165.09106	1.2
165.12770	16.1
166.13063	1.0
167.10709	1.7
173.09636	2.6
179.03384	0.7
179.10681	4.4
181.12262	29.3
182.12654	1.5
191.10712	18.5
192.11011	1.4
194.02213	0.9
209.04538	1.9
209.11772	100.0
210.12122	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.6
57.03322	2.6
59.01250	0.7
59.40482	0.6
67.68893	0.6
69.03309	0.9
70.71453	0.7
70.91991	2.0
71.01236	0.8
71.04872	0.8
74.14114	0.5
80.02548	1.7
81.03319	5.0
83.01258	34.2
83.04891	3.3
84.02036	1.2
87.87442	0.6
93.03338	0.9
95.04906	2.0
97.06479	5.1
106.04157	0.8
107.33518	0.8
109.06538	0.9
110.03669	0.7
111.08012	0.9
121.02839	6.0
123.08062	2.8
125.09612	32.8
126.09972	1.2
134.03610	0.9
135.08040	2.7
143.93614	0.7
147.11713	1.3
163.11201	12.5
164.11588	0.7
165.12778	4.1
181.12282	2.3
191.10713	10.9
209.11772	100.0
210.12100	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	209.0297
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01766	1.6
57.03327	11.5
58.00469	0.7
58.99484	0.5
59.01254	14.9
65.77386	0.3
68.99689	1.3
70.12818	1.1
70.13233	0.6
71.01256	32.2
72.01595	0.6
72.99184	6.4
73.02802	0.5
75.00748	3.4
83.01257	1.9
84.02050	2.9
85.02826	100.0
86.03176	3.1
87.00751	3.9
89.02322	10.9
101.02320	0.7
103.00262	2.5
103.99638	0.3
111.00777	0.6
115.00272	2.3
124.03991	0.3
126.06091	0.3
129.01842	5.7
133.01326	13.7
134.01743	0.5
139.62558	0.3
147.02907	3.5
164.39522	0.3
191.01907	12.7
192.02208	0.5
199.05171	0.4
209.02974	29.1
209.06532	1.6
210.03346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03326	11.9
58.00458	1.1
59.01250	16.4
62.81942	0.7
65.24194	0.8
67.01773	1.1
68.99682	2.0
71.01257	36.6
72.99177	7.1
73.02823	1.6
75.00750	5.6
81.03337	2.4
83.01264	3.7
84.02044	2.8
85.02825	100.0
86.03165	2.7
87.00756	3.2
89.02325	13.2
93.03335	2.0
94.02892	0.9
95.01294	0.8
95.04911	2.8
97.02858	0.9
101.02358	1.2
103.00271	2.1
109.02840	2.8
111.00790	1.1
115.00286	2.0
121.02839	1.9
123.04456	1.0
124.03961	1.8
125.02319	4.5
129.01860	5.8
133.01317	13.3
137.02385	4.4
137.05975	2.7
139.00258	0.9
147.02892	2.3
150.03091	1.3
153.01848	4.7
163.00311	1.4
163.69981	0.8
165.01839	1.9
165.05498	1.9
167.03452	3.6
181.01317	3.8
191.01895	11.0
191.84396	0.9
194.05920	1.2
195.67386	0.8
209.00871	8.5
209.02985	23.1
209.04559	2.4
209.11870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0298
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
57.03331	11.3
57.06760	0.9
59.01251	14.3
70.93693	2.4
71.01257	32.6
72.99188	7.5
73.02848	1.0
75.00739	4.1
83.01261	2.1
84.02051	3.9
85.02827	100.0
86.03172	3.0
87.00745	2.6
89.02333	11.5
94.02860	2.4
103.00250	3.3
106.46442	1.0
111.00748	1.2
115.00266	1.2
117.57755	1.1
121.02825	4.1
122.03551	1.2
124.03926	5.6
125.02367	1.1
129.01851	5.6
133.01326	13.5
147.02885	2.3
191.01924	10.8
194.05759	1.8
205.95757	1.0
209.02933	18.6
209.04863	1.5
209.11757	3.3
215.29486	1.0
225.17599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53230	0.4
55.01754	2.4
57.03324	13.5
58.00462	0.9
58.03631	0.3
58.99472	6.5
59.01250	17.1
65.08394	0.3
68.99681	1.3
71.01255	33.6
71.33181	0.7
71.33526	0.6
72.01567	0.7
72.99186	6.0
73.01047	1.7
73.02812	0.8
74.98979	4.4
75.00738	4.1
76.94502	0.3
80.96392	3.3
83.01237	1.7
83.04855	0.4
84.02041	3.2
85.02824	100.0
86.03175	2.3
86.34562	0.3
87.00757	3.8
89.02319	12.1
94.57722	0.3
99.00730	0.6
101.02330	0.9
103.00234	2.8
111.00755	0.8
115.00257	1.8
121.03173	3.1
129.01833	6.6
133.01321	13.8
135.23184	0.3
135.98204	0.4
136.99045	1.9
142.99791	0.7
147.02913	3.1
159.02899	0.7
179.03496	0.6
191.01904	11.0
191.03572	0.6
209.02980	23.4
209.04710	1.5
209.06595	3.0
210.03337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.102
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
52.77819	1.4
59.01254	31.7
59.97424	1.4
65.03811	1.3
70.82465	1.6
70.82822	3.2
80.02550	5.6
81.03332	11.9
83.04903	8.1
85.02861	1.8
91.01773	3.1
93.03332	4.4
95.01249	1.7
95.04905	3.7
97.02852	4.6
106.04137	3.0
107.04919	3.2
108.02059	1.6
109.02840	1.7
109.06479	100.0
110.06821	3.7
119.01292	1.6
119.04914	2.7
121.02839	1.5
121.06500	6.8
123.04401	4.2
133.02852	2.0
133.06442	2.0
135.04422	4.5
135.08080	13.8
137.02316	1.5
142.02661	1.7
145.10133	1.8
147.08031	1.9
149.02348	5.8
149.09621	5.8
155.63431	1.4
161.09631	13.0
163.00261	3.0
163.03987	2.0
163.07643	3.3
163.11200	86.2
164.00961	2.1
164.11549	6.1
164.89624	1.6
177.01857	26.3
178.02327	1.9
179.03300	1.9
179.10690	1.5
181.82265	1.4
189.09210	7.2
192.00551	14.0
192.04216	24.2
193.04517	2.2
206.99329	1.8
207.02945	11.7
207.06590	6.9
207.10207	62.4
207.13766	9.9
208.10490	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	207.1022
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
59.01252	36.1
61.98719	2.6
71.58910	3.0
71.59292	3.9
75.19463	2.1
80.02547	6.0
81.03315	12.1
83.04889	10.4
91.01772	8.0
93.03334	7.5
95.04894	5.6
97.02834	6.8
107.04900	4.6
109.06480	100.0
110.06832	3.2
119.01301	3.5
119.04874	3.9
121.02808	4.1
121.06483	6.7
123.00781	3.1
133.02840	2.6
135.04372	4.4
135.08063	14.6
137.09627	3.4
142.02580	2.7
143.15947	2.5
149.02345	7.2
149.06044	2.9
161.09616	10.3
163.00272	4.5
163.03906	3.9
163.11208	56.4
164.11594	3.5
164.89389	4.2
177.01846	34.6
178.02457	2.7
179.03368	2.7
189.09181	4.9
192.00578	20.9
192.04211	42.7
193.04488	3.9
206.99318	3.0
207.01186	4.0
207.02919	19.1
207.06572	10.8
207.10196	56.5
207.13857	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0818
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
56.73221	0.2
58.02851	100.0
59.01251	3.4
59.02561	0.2
59.03180	1.3
70.02865	0.9
70.36393	0.9
72.00793	0.4
77.27188	0.2
80.06902	0.2
91.05399	0.9
113.37234	0.2
145.17874	0.2
147.04419	3.2
148.04797	0.3
160.07553	0.2
162.09149	0.3
164.07097	28.9
165.07474	1.9
174.65987	0.2
206.08177	19.0
207.08531	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	207.1021
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.35369	0.9
52.51492	0.9
58.98022	0.9
59.01252	34.1
59.04565	0.9
61.95493	1.0
65.34348	1.0
69.03323	1.1
71.01241	1.2
71.50090	1.9
71.73883	1.1
75.74498	1.1
80.02554	6.1
81.03329	12.5
83.04881	9.5
83.40967	0.9
85.02836	1.2
91.01782	2.2
93.03326	5.2
95.01225	1.2
95.04897	2.5
97.02831	6.8
106.04156	3.2
107.04900	4.1
109.06482	100.0
110.06823	4.2
119.01273	1.5
119.04932	1.8
121.02822	1.4
121.06496	9.1
124.33740	1.2
125.06019	1.2
133.02817	1.8
133.06459	1.4
135.04390	1.9
135.08064	17.3
136.05203	1.2
142.02591	2.1
149.02359	4.4
149.05986	1.2
149.09680	1.4
151.83202	1.0
159.02872	1.4
161.09607	8.3
163.00261	2.7
163.03937	2.7
163.11208	53.4
164.11543	3.6
165.09093	1.0
177.01857	20.5
178.02309	1.5
179.10719	1.4
189.09180	3.1
192.00548	11.6
192.04213	16.6
193.04538	1.9
206.99399	1.4
207.02901	7.9
207.04720	1.4
207.06866	4.7
207.10220	47.9
207.13554	5.1
208.10536	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	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
70.10001	0.6
70.10397	0.6
94.10706	0.3
110.23459	0.3
189.12823	2.3
205.15915	100.0
206.16243	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	205.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.0
58.02845	0.2
59.01242	0.2
60.96809	0.1
65.03828	0.2
71.59208	0.2
76.87720	0.1
79.01785	0.2
79.05422	0.2
81.03333	0.3
83.04916	0.2
85.02822	0.4
91.05407	1.0
93.03356	0.5
100.25873	0.1
105.03268	0.1
107.04912	2.4
108.05264	0.2
115.00249	0.2
117.03348	0.2
121.02854	0.3
121.05070	0.3
122.03599	0.3
123.04408	0.2
131.03571	0.1
133.02869	0.6
134.02599	0.2
134.03625	1.8
135.04413	100.0
136.04747	5.4
147.04404	0.2
149.02319	0.2
149.05949	0.2
159.08078	0.2
161.02356	0.4
161.05992	0.5
161.09685	0.4
162.03166	0.7
162.89246	0.4
163.11177	0.3
166.02628	6.6
167.02977	0.3
172.05194	0.2
177.01842	0.4
177.09097	0.2
187.07573	3.6
187.10991	0.2
188.07928	0.2
190.02638	0.2
205.01430	0.5
205.05054	0.6
205.08638	28.3
205.15891	3.0
206.09026	2.2
206.16293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79413	1.0
56.06977	0.9
58.02851	1.6
59.01248	1.3
61.98730	1.1
66.90727	0.9
71.01254	1.4
71.36359	1.1
72.99195	1.0
75.52613	0.9
89.03895	1.1
93.03302	1.4
98.19977	1.1
101.99902	0.9
107.04903	1.9
108.02039	1.2
109.06470	8.6
109.66404	1.0
121.02853	3.5
121.05110	5.9
122.03632	73.3
123.03945	2.3
124.35390	1.0
133.02875	3.3
134.03612	1.2
135.00838	1.2
135.04431	2.9
136.01529	1.6
141.17430	0.9
145.06485	2.3
146.07260	3.5
147.04326	1.2
149.02356	15.2
150.03134	62.9
151.03471	2.6
161.02347	7.5
161.06004	2.8
161.09619	3.1
161.13408	1.0
162.89282	2.6
163.03821	1.0
163.06242	1.4
163.11227	1.3
164.07123	2.7
165.01834	1.8
177.01820	1.7
177.05542	1.1
177.09090	2.2
182.02130	27.5
183.02470	1.3
184.63182	1.0
187.07510	1.1
189.05682	1.2
190.02661	2.0
190.06261	1.9
190.99767	1.7
204.14438	1.0
205.01370	4.8
205.04939	2.9
205.08650	100.0
205.12221	4.1
205.15924	16.3
206.09116	8.0
206.16216	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	205.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.90645	0.3
58.02861	0.3
59.01245	0.3
69.47999	0.2
69.61138	1.9
81.03341	0.4
85.02834	0.2
91.05434	1.2
93.03358	0.4
107.04920	2.3
121.02831	0.5
134.03632	2.3
135.04419	100.0
136.01543	2.1
136.04752	5.1
144.05750	0.3
147.04520	0.3
150.03174	0.6
152.72086	0.2
161.02316	0.3
161.05980	0.4
162.03154	0.6
162.89230	0.3
163.07553	0.7
166.02643	5.5
173.06046	0.3
175.81541	0.3
177.09084	0.3
182.02180	0.4
187.07591	3.9
188.07878	0.4
190.06245	0.7
191.07080	6.9
205.08656	30.1
205.15984	2.2
206.09036	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	205.0348
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01767	8.7
56.73949	1.5
57.03325	10.8
58.00462	3.9
58.02851	6.7
59.01252	100.0
61.76534	1.5
65.39602	1.7
67.01768	8.5
68.99706	8.5
70.25027	8.3
71.01260	54.5
71.04897	9.0
72.99190	36.5
73.02832	16.0
73.27241	1.9
75.00748	22.7
75.01134	2.2
78.34840	1.5
81.03334	4.0
83.01266	18.0
83.04896	6.3
85.02831	39.4
85.53636	1.5
86.03204	2.1
87.00751	54.4
87.04383	1.8
89.02339	3.2
96.95888	6.8
96.99229	4.7
97.02863	2.8
97.06478	7.8
99.00150	2.6
99.00761	22.7
99.04394	26.0
101.02325	38.5
103.00225	2.0
111.00767	96.6
112.01122	1.7
112.98695	8.7
115.00261	46.9
115.03886	10.0
117.01852	8.2
118.03225	6.7
124.98686	7.5
125.02344	64.9
125.06004	4.0
126.02705	4.7
127.00277	6.5
127.03892	3.9
129.01819	14.3
130.99759	10.0
142.99776	12.0
143.03397	15.6
143.07050	33.6
145.01335	33.8
145.04977	43.8
154.99789	10.8
156.00104	2.2
157.01320	4.7
160.03560	1.8
161.02388	2.1
161.04411	4.2
173.00826	7.3
175.02438	3.8
187.02417	12.4
187.06049	12.5
205.01489	3.0
205.03488	25.3
205.07079	15.0
205.15805	2.0
206.04161	3.1
215.55048	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	203.107
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
57.03320	0.2
59.01251	4.8
60.01576	0.2
61.01653	0.2
61.98704	0.4
65.03854	0.3
71.07599	0.6
74.65292	0.2
79.05418	0.9
91.05409	5.3
92.05737	0.2
93.03329	0.4
94.99177	0.3
97.02863	0.2
103.91902	0.5
104.97613	1.1
106.04133	1.2
107.04909	2.7
107.08566	0.3
108.02039	0.3
109.06467	4.4
109.07177	0.3
119.04951	0.4
120.05688	0.4
121.02857	0.8
121.06507	0.3
129.06972	0.5
130.94241	0.2
131.04974	0.4
132.98151	0.2
133.02855	4.3
134.03630	41.3
135.04474	4.8
136.04768	0.3
143.08549	0.3
147.04420	15.1
148.05208	19.4
148.95297	0.2
149.05551	1.4
159.04425	7.5
159.11696	3.1
160.05211	2.3
160.89087	0.3
160.97527	0.4
161.05943	0.3
166.18259	0.2
173.06030	0.9
174.99091	0.9
175.03908	0.4
175.07556	0.6
185.05957	0.4
185.09521	0.4
187.07599	1.5
188.04778	0.3
188.08328	1.0
189.05573	0.3
201.09093	0.2
202.94179	0.9
203.06995	2.4
203.10707	100.0
204.07878	0.5
204.11063	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	203.1072
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
54.89455	0.2
59.01253	10.2
60.01574	0.7
60.42372	0.3
61.01699	0.3
61.98699	1.0
67.08366	0.3
69.03307	0.4
70.69975	0.5
70.70322	1.0
71.85015	0.3
78.97221	0.3
79.05382	0.7
85.02847	0.3
87.00732	0.3
91.05416	2.6
93.03354	0.8
95.63103	0.3
97.06532	0.4
103.91922	0.7
104.97627	2.6
106.04114	0.8
107.04913	3.1
109.06479	4.5
119.04874	0.8
121.02795	0.7
129.06995	0.3
130.94255	0.4
131.04910	0.6
133.02841	1.4
134.03642	12.5
134.04659	0.7
135.04466	3.6
138.03079	0.3
142.93541	0.3
147.04419	15.5
148.05212	22.8
148.95378	0.4
149.05544	1.3
159.04422	9.2
159.11714	3.4
160.03993	0.4
160.05214	2.5
160.47093	0.3
160.89212	0.5
160.97574	0.5
161.01131	0.6
161.89323	0.3
173.05989	0.7
174.03114	0.4
174.99208	1.4
175.03889	1.0
185.09616	0.6
187.07578	1.6
188.08205	0.9
201.09079	0.5
202.94139	1.4
203.03651	1.7
203.10715	100.0
204.02921	0.5
204.11069	8.2
221.11794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0821
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
53.52557	1.1
58.17331	1.1
71.34336	1.7
71.48742	1.0
72.00784	18.9
74.02347	35.3
76.46071	1.2
77.38407	1.1
80.78799	1.0
116.04950	100.0
117.05292	4.8
121.04057	1.2
130.06555	2.9
142.06526	24.8
159.09193	10.4
186.05533	2.8
203.03444	1.8
203.08211	32.4
204.08527	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	203.0821
Annotation	L-Tryptophane
Peak:m/z	Relative Intensity
50.56548	0.4
53.08754	0.4
56.22744	0.4
56.26746	0.4
59.01246	1.2
65.01350	0.8
65.55959	0.4
65.99731	1.4
68.01263	0.5
71.01234	0.5
72.00781	23.8
74.02346	36.3
75.02678	0.5
98.19772	1.0
107.75465	0.4
111.56348	0.4
116.04951	100.0
117.05285	4.6
119.02453	0.5
129.05713	0.7
130.06535	2.6
132.05524	0.6
132.08076	0.9
133.03877	0.4
134.03487	0.8
142.06529	27.9
143.06857	2.1
144.04521	0.5
146.03506	0.5
149.03471	0.5
157.07639	0.6
159.04420	0.5
159.09196	14.9
160.09532	0.8
161.04723	1.5
172.89439	0.4
173.87074	0.4
175.03926	0.5
176.04555	1.3
186.05547	3.7
203.08211	46.4
204.08543	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	203.0191
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01757	2.0
57.03329	2.2
59.01248	3.0
67.01733	2.5
69.03327	89.3
70.03650	2.3
70.18179	9.1
71.01254	54.5
72.99172	9.4
75.00737	5.4
79.01754	3.4
83.01241	3.4
85.02822	13.3
87.00738	12.1
88.03907	3.1
95.01271	12.1
97.02830	100.0
98.03165	3.5
99.00742	3.0
111.00748	3.7
113.02316	4.7
113.83253	1.6
115.00264	12.4
115.03875	2.9
115.16809	1.8
123.00761	6.4
129.01830	7.3
141.01830	28.4
141.05490	3.9
145.20143	2.1
159.02992	2.6
159.04437	2.0
160.03932	3.1
161.69261	1.8
185.04480	2.3
203.01912	80.6
203.10779	2.0
204.02213	5.5
204.08572	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	201.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25579	0.3
53.01863	0.3
57.03323	4.8
59.01254	10.7
66.06919	0.3
69.03317	1.1
70.15517	0.7
70.15918	0.6
71.04945	0.3
73.02825	0.4
78.82056	0.3
80.02532	0.5
83.04899	1.1
95.04908	1.1
97.06467	13.4
99.92452	0.4
123.08058	6.7
124.08394	0.7
125.09612	100.0
126.09950	5.7
127.11204	0.4
132.05583	0.8
134.66252	0.3
139.11218	1.1
141.93538	0.7
159.01360	0.6
160.05072	0.4
162.69333	0.3
162.72090	0.3
169.08612	2.9
173.02338	0.3
173.05978	0.9
174.06618	0.6
175.06204	0.4
183.10103	0.7
187.09770	1.6
201.02368	1.0
201.05537	1.3
201.07640	0.5
201.09361	0.5
201.11256	9.7
201.14937	0.4
202.11613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03319	1.4
58.00469	2.2
58.02842	0.3
59.01253	14.3
60.01575	0.3
69.03329	0.4
69.77124	0.3
71.58903	0.3
73.02815	0.8
83.04861	0.4
87.04362	0.2
89.46410	0.3
97.06463	0.7
99.92445	0.4
104.62253	0.3
111.41890	0.3
121.02791	0.3
123.08061	0.7
125.09613	8.9
126.09909	0.5
127.11181	13.2
128.11552	0.4
132.05557	0.6
132.09187	0.3
137.09631	2.3
139.11177	2.3
141.93553	0.4
144.44322	0.3
150.76984	0.3
153.09137	0.9
155.08009	0.3
155.10686	5.2
156.11079	0.4
157.12244	1.3
159.01392	0.6
159.89288	0.4
165.09132	4.9
171.10165	4.8
173.06013	0.4
174.06725	0.3
178.72037	0.3
183.10165	2.5
199.09688	4.1
201.02374	1.0
201.11258	100.0
202.01024	0.3
202.11591	6.4
211.29373	0.4
213.67691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0551
Annotation	2,2',3-Trihydroxybiphenyl
Peak:m/z	Relative Intensity
59.01247	3.8
65.01309	1.1
65.99728	0.7
71.58842	0.6
71.59254	0.4
74.03956	0.3
80.02561	0.7
82.03987	0.6
91.01767	6.9
91.02895	0.4
93.03337	47.2
94.03664	2.2
95.01255	0.3
106.04039	0.5
108.02054	100.0
109.02880	19.0
110.03149	0.7
119.02364	0.5
121.03933	0.4
125.09612	0.5
130.04074	0.5
132.05608	1.0
133.03975	0.6
134.03459	0.5
139.11179	0.5
145.06470	1.2
156.05702	0.6
157.06490	0.9
159.02942	0.6
160.04996	0.6
173.05995	1.1
174.02945	0.8
174.06639	0.7
175.06119	0.7
183.10217	0.5
201.05513	63.1
201.11214	3.3
202.05811	5.4
202.07454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03320	1.5
58.00462	2.9
59.01254	4.3
65.01319	1.4
65.99719	1.2
69.03300	0.5
69.65717	3.4
71.01231	0.6
73.02810	1.4
82.03986	0.8
85.02828	0.5
91.02892	0.7
93.03372	0.5
93.04520	0.4
97.06458	0.7
99.00830	0.5
106.04002	0.6
108.02011	0.5
119.02355	0.6
121.78431	0.5
123.08043	0.4
125.09605	9.0
127.11179	14.7
128.11578	0.7
131.02327	0.5
131.03532	0.5
132.05557	1.0
133.03978	0.8
137.09547	2.2
139.11139	2.3
141.93512	0.6
153.09154	0.8
155.10692	5.0
157.12291	1.3
158.03497	0.6
159.03006	1.1
160.05083	0.8
165.09140	4.7
171.10149	5.3
173.06021	1.1
174.03032	0.9
174.06700	1.0
175.06152	1.3
183.10245	3.0
196.92337	0.4
199.09698	4.1
201.11267	100.0
202.11607	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	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03327	7.6
59.01256	2.5
65.01307	1.0
65.99733	0.5
67.02183	0.4
69.03330	1.1
69.98135	2.7
71.04901	0.7
71.92207	0.5
111.07369	0.9
111.08057	6.5
115.08319	0.5
119.02384	0.6
125.09602	0.9
127.45639	0.4
132.05585	0.7
133.03979	0.7
137.09612	2.8
139.11194	100.0
140.11523	5.2
157.12253	1.5
159.03058	0.6
173.05989	0.7
183.10196	37.4
184.10542	2.5
201.11269	89.0
202.11559	6.1
205.22403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75084	2.4
58.06709	2.1
66.61553	2.2
70.02850	3.5
71.01254	4.0
71.56943	2.7
72.99174	4.6
75.00748	3.0
82.02830	3.0
83.04961	2.2
84.04422	7.6
94.02850	3.2
94.06514	3.0
95.04905	14.4
97.01556	2.7
98.02343	22.7
108.04430	6.4
110.02367	36.6
110.05991	6.7
111.04442	4.2
112.03938	15.5
112.07596	8.0
113.05983	4.9
120.92838	2.0
123.03172	3.4
124.03938	7.2
126.05513	5.1
136.03931	14.0
138.05493	24.4
154.05003	37.9
155.03433	5.7
156.06590	31.7
157.04919	3.7
169.69096	2.9
172.06042	2.9
182.04518	38.0
183.04881	4.4
200.05592	100.0
201.03972	4.4
201.05698	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	200.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48997	3.7
55.40379	4.0
59.01298	4.2
67.13521	3.3
70.02849	12.1
71.01257	7.4
71.36121	6.9
72.99190	6.0
75.00769	4.3
82.02871	5.9
84.04430	8.8
87.00763	4.1
88.72952	4.0
92.04984	5.2
95.04917	20.1
98.02364	46.4
108.04421	11.3
110.02364	55.6
110.06015	10.1
111.04383	3.9
111.22823	3.2
112.03924	27.3
112.07594	11.8
113.05986	4.4
113.61105	3.5
118.86207	3.4
123.03126	4.8
124.03939	8.1
126.05511	7.0
136.03944	12.9
137.00153	3.8
138.05492	38.3
145.18034	3.5
154.05022	54.0
155.03412	9.0
155.05226	4.8
156.06584	38.3
157.04956	3.6
172.06137	6.3
173.72316	4.0
182.04512	45.0
189.79405	3.9
197.47418	4.0
200.05588	100.0
201.04005	6.0
201.05722	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	199.1335
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
56.14692	0.4
57.03330	0.4
59.01251	1.4
61.01123	0.4
65.01311	0.5
66.63096	0.4
68.24806	0.4
69.04688	0.4
87.53239	0.4
87.53775	0.4
99.00795	0.6
141.12788	0.4
150.79562	0.3
155.10738	0.7
163.11200	1.2
169.12265	7.2
170.12651	0.6
181.12265	22.1
182.12596	1.5
197.11761	1.3
199.13333	100.0
200.13667	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	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03312	1.1
58.00454	0.4
59.01254	0.4
59.70592	0.3
65.01320	0.5
69.03317	0.4
69.41440	2.7
71.04894	1.4
73.02814	0.5
81.17006	0.3
81.51882	0.3
83.04919	0.5
87.89773	0.3
95.04922	0.3
98.19821	0.7
99.00784	0.6
111.00751	0.4
125.09600	2.4
127.11173	4.0
128.11507	0.4
137.09625	0.4
139.02614	0.3
139.11189	0.4
141.12726	1.4
153.09015	0.5
153.12755	1.6
155.10696	1.1
155.14305	0.5
156.89287	0.3
163.11200	1.0
166.82925	0.3
169.12273	2.5
171.10181	0.6
172.05009	0.5
173.04607	0.5
181.12260	1.7
197.11728	2.0
199.13335	100.0
200.13687	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	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03313	2.4
57.92075	0.7
59.01237	1.2
62.09533	0.6
65.01310	1.0
69.03301	1.4
71.01271	0.6
71.04887	3.2
71.58690	1.0
71.59056	0.7
73.02818	1.4
79.95608	19.1
83.04890	1.4
85.02789	0.8
99.00754	3.8
99.08031	1.9
102.85022	0.7
123.55431	0.7
125.09630	1.8
130.04012	1.0
137.09669	1.1
155.10735	4.9
155.14325	4.3
156.89391	1.4
157.05156	0.8
165.40181	0.7
168.99573	6.5
169.12206	1.1
169.49861	1.0
170.00259	1.5
177.51256	0.9
184.01929	30.0
184.03583	1.5
184.52130	6.1
185.01764	1.7
185.49454	1.0
193.49664	0.6
199.02425	1.5
199.04297	27.7
199.06027	1.7
199.09671	4.8
199.13347	100.0
199.17018	7.2
199.54414	6.7
200.04057	2.1
200.13670	5.8
200.51851	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.57374	1.0
53.65086	1.1
55.01744	1.6
57.03310	2.8
58.50622	1.0
59.01253	43.1
65.99696	1.1
66.12540	0.9
67.95697	1.1
69.03329	1.5
69.41634	5.4
69.42046	3.2
70.91402	1.0
71.04893	1.4
73.02821	71.5
74.03159	1.7
77.48032	0.9
78.60036	1.0
81.03333	2.8
83.04896	23.2
84.05261	1.1
95.04921	1.2
109.06474	3.5
115.92775	1.1
127.11198	1.4
135.08058	2.2
137.09618	39.4
138.09935	1.7
155.10684	100.0
156.11023	6.7
158.03497	1.4
171.66637	1.1
172.05067	1.3
176.26695	1.1
181.08614	13.7
192.43582	1.1
199.09695	64.6
199.13292	11.4
199.16957	1.1
200.09953	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	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
63.47987	0.5
65.01321	0.6
65.32607	0.5
69.03321	2.3
71.14668	1.0
71.15015	0.6
75.88830	0.5
81.03297	0.6
83.04886	1.4
83.22733	0.5
83.96576	0.5
86.39828	0.5
86.70885	0.5
95.01250	0.8
97.06461	0.9
109.02817	1.1
109.06502	0.6
111.04374	0.8
112.01530	1.4
123.00760	4.1
125.09641	1.0
126.90448	0.6
130.99141	0.7
138.03116	1.6
141.09119	1.1
151.11169	1.2
153.05531	1.0
153.09100	2.0
153.12764	4.7
157.05139	1.0
166.99751	2.5
167.99373	0.6
169.12267	20.9
170.12621	1.9
171.06689	1.0
179.10661	1.6
182.02130	6.3
183.06813	1.5
197.04478	2.2
197.08133	3.0
197.11768	100.0
198.03979	0.6
198.07793	1.2
198.12120	8.2
202.44571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.154
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
57.03328	3.4
59.01242	1.0
61.54222	0.6
69.03334	1.2
69.86355	3.9
71.01263	0.7
71.04883	1.5
73.30428	0.6
80.02545	1.8
81.03333	3.7
83.04905	13.2
83.28534	0.6
85.06460	0.8
93.03370	1.0
95.01254	1.2
95.04895	5.2
97.06470	32.3
98.06809	1.0
103.28987	0.6
109.02831	1.4
109.06465	2.3
111.08048	25.1
112.08405	1.6
116.92773	1.2
118.78236	0.6
120.07655	0.6
123.00781	4.0
123.08082	1.2
135.08046	1.2
137.09579	1.7
138.03108	0.8
139.93823	0.7
143.92815	0.6
147.11662	3.2
149.09630	1.9
153.05457	0.9
153.09093	0.8
153.12799	1.4
163.11191	8.8
165.12764	100.0
166.13086	7.2
166.99757	2.9
182.02107	5.4
197.04535	1.6
197.08131	1.0
197.11787	3.9
197.15413	2.6
198.12163	0.6
209.11771	5.8
210.44412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01735	0.5
57.03293	0.3
58.41600	0.2
59.01247	0.6
64.05355	0.2
69.03325	0.6
71.04890	1.2
71.07400	0.3
71.07741	0.5
72.66058	0.2
74.41492	0.2
81.03302	0.4
83.04912	0.5
94.04156	0.3
95.01263	0.5
95.04922	0.6
97.06467	16.5
98.06797	0.6
99.08035	4.7
109.06487	0.6
111.08067	0.5
114.45713	0.3
116.92772	0.3
121.02824	0.3
122.03647	2.4
123.00764	1.9
123.04419	0.3
125.02299	0.7
125.09615	0.7
126.03127	0.6
135.08148	0.3
137.02406	0.3
137.09616	2.0
138.03102	0.5
151.11211	1.3
153.12758	100.0
154.13098	6.2
165.53830	0.3
166.99757	1.0
169.12363	0.3
173.27382	0.3
179.10696	21.2
180.11020	1.6
182.02094	2.5
197.02074	0.4
197.04463	1.0
197.06186	0.3
197.08084	0.6
197.11768	7.0
197.15430	0.5
198.07776	0.4
198.11952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.99394	0.5
57.03315	0.8
59.01254	2.5
65.01336	0.7
69.03329	2.7
69.35566	4.8
71.01247	0.6
71.04871	0.9
81.03338	0.5
82.02858	0.5
83.04897	1.5
84.62144	0.5
86.27170	0.5
92.60252	0.5
95.01258	1.6
97.06461	1.0
108.42658	0.4
109.06517	0.5
112.01511	2.5
121.02872	1.3
123.00797	4.0
123.08052	0.6
125.02372	0.5
125.09608	0.9
126.90432	0.7
130.99117	0.6
137.02283	0.6
138.03061	1.0
143.03493	0.5
151.11189	1.3
153.05476	0.9
153.09143	1.2
153.12750	4.3
156.05522	0.9
157.05153	0.8
166.99815	3.0
169.12257	13.4
170.07199	0.6
170.12546	0.6
171.06694	0.8
179.10674	1.8
182.02129	5.6
182.07321	0.5
197.04684	2.2
197.08214	2.5
197.11763	100.0
198.07870	1.0
198.12131	8.6
217.64755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.7
69.03337	2.7
69.35489	1.3
69.35925	1.3
83.04899	1.3
83.27824	0.2
83.42986	0.3
95.01260	0.6
95.04882	0.4
97.06471	0.8
98.19711	0.5
99.08012	0.3
109.02861	0.5
116.92750	0.7
121.02743	0.4
123.00736	2.0
123.08048	0.6
125.09639	0.6
130.99223	0.3
135.11702	0.3
137.09616	0.5
138.03111	0.3
141.09103	1.0
151.11203	1.0
153.01886	0.3
153.05568	0.4
153.09134	2.0
153.12778	5.5
162.83842	0.6
166.99773	1.3
169.12256	20.5
170.12622	1.4
179.10748	1.8
182.02139	2.4
185.41978	0.2
197.11766	100.0
197.80740	0.3
198.12099	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.31055	0.4
59.01248	1.3
69.03328	2.5
71.23536	0.7
81.08133	0.4
83.04906	1.4
103.49849	0.4
109.02895	0.4
111.04362	0.4
113.22500	0.3
123.00720	0.5
123.08043	0.6
125.09646	0.5
128.74892	0.4
130.06227	0.4
130.99179	0.4
141.09093	0.9
151.11198	0.6
153.09128	1.6
153.12767	4.6
169.12268	21.9
170.12619	1.1
179.10680	2.4
182.02133	1.2
197.11771	100.0
198.12111	7.7
200.98628	0.4
206.10579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0864
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
55.01785	0.7
57.03341	0.7
58.00478	0.3
59.01250	2.9
65.01334	0.3
65.03848	0.3
69.03329	1.4
70.03674	0.2
71.01251	4.7
71.01601	0.3
71.57885	0.4
72.99194	0.8
73.02831	2.8
74.63908	0.2
81.03349	0.8
83.01268	1.8
85.02831	4.8
85.99986	1.0
87.00758	2.8
89.02326	0.4
93.03346	0.7
95.01289	1.1
97.02844	1.9
97.03934	0.3
99.00765	3.4
101.02328	5.0
106.04032	0.3
107.02409	0.3
107.04915	0.9
108.02054	0.5
109.02865	0.6
109.03947	0.3
111.00753	0.6
112.01585	0.4
113.02354	0.9
115.03887	0.3
121.02853	1.5
122.03603	0.8
123.00715	0.5
123.04454	0.4
125.02335	1.5
130.99205	0.3
133.02858	1.0
134.03644	11.3
135.04427	31.6
136.04761	1.8
137.02394	2.9
139.03926	0.9
140.01056	0.5
141.01845	1.0
149.02336	1.0
149.05983	2.9
149.09590	0.3
149.99506	0.4
150.03093	1.3
155.02036	0.3
155.03404	0.5
161.02408	0.5
161.04472	5.0
163.03929	100.0
163.36472	0.3
164.01225	0.3
164.02864	0.3
164.04253	6.3
167.03526	0.4
177.05496	0.3
177.99074	0.5
178.02713	10.0
178.06281	51.8
179.03200	0.8
179.06627	3.7
193.01456	1.2
193.04991	4.3
193.07060	2.8
193.08656	5.6
194.08937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	7.5
59.01250	26.9
69.03316	14.1
69.79641	19.8
71.00898	3.7
71.01256	46.9
72.99171	7.5
73.02818	37.5
75.00732	3.9
83.01266	18.4
84.02710	3.2
85.02831	46.6
85.99963	9.7
86.02350	5.4
87.00764	41.7
89.02299	5.6
95.01267	13.6
96.95875	11.9
97.02843	22.8
99.00765	37.0
101.01704	5.0
101.02331	61.1
108.04445	4.4
112.01551	3.8
113.02334	11.3
113.03449	9.4
121.02840	8.7
123.04382	6.0
125.02322	15.3
133.02867	7.1
134.02654	5.2
134.03645	100.0
135.03912	4.7
136.93903	20.3
137.02354	21.1
139.03920	10.6
140.44975	4.0
141.01840	15.1
142.02617	4.8
149.02357	7.6
149.06012	18.1
149.09596	6.1
150.03099	4.4
155.03389	7.5
159.02867	5.8
161.04469	79.0
177.99092	3.6
178.02657	85.5
179.03018	6.9
187.79448	4.6
190.94670	3.6
192.17093	3.9
192.99232	5.6
193.01372	5.5
193.04994	31.0
193.07071	34.0
193.08652	5.7
211.28624	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	193.0501
Annotation	ferulic acid
Peak:m/z	Relative Intensity
54.38720	0.7
55.01757	0.7
57.03307	0.8
59.01255	4.2
65.99719	0.8
67.01764	0.7
69.03323	1.0
69.34595	7.1
71.01253	8.3
72.99167	1.2
73.02825	4.6
73.99846	0.6
83.01260	1.8
85.02817	7.6
85.99958	1.5
87.00765	3.7
88.31519	0.6
93.03358	1.6
95.01302	1.6
97.02828	2.9
99.00768	5.3
101.02319	7.6
106.04101	2.4
107.65206	0.7
108.04406	1.5
109.02818	1.6
109.03953	1.0
111.00787	1.2
113.02381	1.5
114.20799	0.6
117.03297	0.7
121.02866	4.8
122.03584	0.8
125.02337	2.0
127.03841	0.8
128.16656	0.7
133.02870	6.9
134.03632	100.0
135.03944	5.6
137.02342	21.2
138.02644	1.5
139.03918	7.0
141.01846	1.3
149.02356	2.8
149.05994	20.0
150.03145	3.6
150.06346	1.0
155.03418	1.4
161.04475	6.7
165.01852	1.6
178.02646	59.6
179.03041	3.4
192.99504	0.6
193.01299	1.5
193.05013	24.7
193.07092	4.1
193.08691	1.5
194.05333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34253	0.6
55.01761	0.9
57.03318	5.9
59.01254	7.5
65.53568	0.6
67.01749	2.5
69.03333	1.5
71.01263	3.2
71.53846	0.7
73.02779	0.9
81.03354	1.5
83.04898	1.2
84.02034	0.9
85.02824	57.5
86.03162	1.6
87.00752	28.7
93.03333	11.1
99.04403	1.2
109.02853	2.6
111.00766	32.9
111.04414	2.8
112.01096	1.5
113.02309	0.9
127.03898	6.4
129.01843	1.6
167.43065	0.6
171.02922	1.2
173.04472	2.1
176.01099	1.3
191.05540	100.0
192.05879	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35429	0.2
55.01754	0.6
57.03327	10.9
58.00464	0.3
59.01254	7.0
60.99158	0.3
67.01760	6.0
69.03339	0.9
69.89006	0.4
69.89417	0.7
71.01257	3.4
72.99171	0.5
73.02812	1.6
75.00754	0.2
81.03329	1.4
82.83622	0.2
83.01266	0.7
83.04888	1.5
84.02035	0.4
85.02826	71.3
86.03159	1.9
87.00753	60.1
88.01075	1.3
93.03339	12.1
94.03686	0.3
95.01286	0.2
96.02033	0.3
97.02829	0.3
99.00718	0.3
99.04384	1.7
101.02326	0.6
103.00266	0.2
103.03864	0.3
104.02560	0.4
108.02086	0.3
109.02838	3.2
111.00768	90.1
111.04388	2.8
112.01112	3.6
113.02328	0.4
118.36097	0.2
125.02332	0.4
127.03906	6.0
128.04221	0.3
129.01833	3.6
130.99759	0.4
137.02315	0.5
139.25774	0.2
143.03328	0.2
147.02887	0.4
147.04437	0.3
148.01518	0.3
153.01904	0.3
154.99750	0.4
155.03430	0.6
171.02930	1.9
173.00824	0.7
173.04475	2.7
176.01064	1.5
191.01996	6.1
191.05544	100.0
192.05878	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	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03319	0.7
57.64804	0.2
59.01249	2.2
61.76960	0.2
65.86534	0.2
67.01756	0.8
69.03326	0.5
69.27235	1.2
69.27663	1.1
71.01257	2.1
73.02814	0.5
75.62875	0.2
81.03333	0.6
83.04913	0.7
85.02824	18.6
86.03165	0.6
87.00753	3.7
93.03337	6.0
94.03674	0.3
98.19772	0.5
99.04403	0.7
101.02316	0.3
109.02854	1.4
111.00742	0.7
111.04414	1.9
113.02336	0.4
121.02927	0.2
127.03908	4.3
150.52182	0.2
171.02904	0.8
173.04471	2.2
176.01071	0.7
191.05542	100.0
192.05896	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	191.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24428	0.0
54.29478	0.1
55.01751	0.3
56.10235	0.0
57.03326	2.1
58.00467	0.3
59.01250	7.0
60.01579	0.1
60.99180	0.5
65.03834	0.2
67.01760	2.8
68.02106	0.1
68.99694	0.1
69.03328	1.6
71.01255	4.4
71.04903	0.3
71.26157	0.1
71.26482	0.1
72.01582	0.1
72.99180	0.4
73.02817	2.2
78.95760	0.2
81.03333	2.5
82.03705	0.1
83.00826	0.1
83.01254	0.5
83.04901	2.5
84.02031	0.1
84.05219	0.1
85.02825	53.7
86.03151	1.3
87.00753	13.9
88.01083	0.3
89.65943	0.1
93.03339	16.5
94.03667	0.6
95.01260	0.6
96.02035	0.3
97.02847	0.3
99.00769	0.5
99.04395	2.4
101.02331	0.6
108.02042	0.6
109.02840	4.1
110.03188	0.2
111.00766	7.5
111.04404	4.3
111.05002	0.1
112.01109	0.2
112.04752	0.3
113.02311	0.6
115.03907	0.2
125.02343	0.5
127.03906	8.9
128.04228	0.4
129.01837	0.5
129.05435	0.2
137.02348	0.8
143.03348	0.3
145.04974	0.1
153.01878	0.4
155.03400	0.6
171.02917	2.5
171.04430	0.1
172.03247	0.1
173.04477	3.1
174.04842	0.1
176.01062	0.2
189.03938	0.1
191.05540	100.0
192.05884	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	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03335	0.4
59.01250	2.7
60.01593	0.2
60.99171	0.3
67.01762	0.6
68.28772	0.2
69.03326	0.2
69.65295	1.3
71.01249	1.7
72.99168	0.2
73.02825	0.9
81.03333	0.6
83.04895	0.8
85.02827	21.6
86.03165	0.5
87.00756	4.0
93.03342	6.9
94.03678	0.3
96.09621	0.3
97.02836	0.2
99.04407	0.8
101.02316	0.3
107.25617	0.2
109.02848	1.9
111.04409	2.4
127.03909	5.2
128.04222	0.2
143.03297	0.3
153.01895	0.3
155.03403	0.3
163.00267	0.5
171.02879	1.4
173.03317	0.2
173.04510	2.9
181.83562	0.2
191.05545	100.0
192.05908	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59500	0.6
57.03310	2.1
59.01242	2.6
62.85216	0.6
66.21149	0.7
67.01751	1.0
69.76962	4.3
71.01250	1.4
85.02824	34.4
86.03150	0.8
87.00752	20.6
88.01111	0.8
93.03332	5.1
99.04338	0.9
105.95771	0.6
111.00762	40.5
111.04405	1.4
112.01101	1.7
117.15176	0.6
122.35492	0.6
127.03896	2.6
129.01823	2.7
171.02921	0.7
173.00903	0.7
173.04486	1.8
191.02003	5.9
191.05537	100.0
192.05823	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
55.18887	0.3
57.03092	0.3
57.03330	4.0
58.66708	0.3
59.01251	3.6
60.99170	0.4
65.47446	0.3
67.01750	1.6
69.03312	0.5
71.01263	2.2
71.26212	0.3
71.26531	0.6
72.80531	0.3
73.02820	0.9
81.03335	0.9
83.04897	1.1
85.02825	35.4
86.03150	0.8
87.00752	21.9
88.01070	0.6
93.03337	6.8
94.03664	0.3
99.00773	0.6
99.04374	1.0
101.02286	0.4
109.02847	2.2
111.00767	38.7
111.04372	2.1
112.01093	1.4
117.36311	0.3
127.03914	4.3
129.01857	2.1
130.99785	0.5
171.02901	1.2
173.00887	0.5
173.04463	1.9
191.02013	4.5
191.05542	100.0
192.05884	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	189.0915
Annotation	Precocene I
Peak:m/z	Relative Intensity
65.00215	0.3
65.03829	0.4
71.50309	0.5
79.05405	12.2
79.16449	0.3
85.02330	0.3
98.19775	0.3
105.06983	0.6
107.04912	41.0
108.05255	2.0
120.04448	0.4
121.02853	0.7
129.07001	1.0
133.06516	0.7
134.03633	7.0
143.08560	0.8
145.10150	3.0
147.08061	0.7
149.06000	0.5
156.85547	0.3
159.04445	1.7
161.09648	0.4
162.03137	2.8
163.03825	0.5
164.03447	0.3
166.02634	13.7
167.02948	0.4
171.08083	3.5
172.08427	0.3
173.05998	14.0
174.06783	7.5
175.07146	0.7
187.07539	1.2
189.09143	100.0
190.09480	7.2
206.05836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.7
59.01249	3.2
67.01764	1.5
69.03333	0.5
70.91796	1.0
71.01250	1.8
73.02792	0.5
81.03335	1.2
83.04900	0.6
85.02820	40.2
86.03162	0.7
87.00746	29.9
88.01080	0.6
93.03333	6.1
95.01250	0.5
96.24105	0.4
99.04368	0.8
101.02324	0.7
109.02808	2.1
111.00761	56.3
111.04382	1.9
112.01127	1.7
113.02312	0.3
127.03907	4.3
129.01805	2.9
129.05450	0.4
134.70210	0.4
154.99757	0.4
155.03416	0.5
159.84113	0.3
171.02910	1.0
173.00832	1.2
173.04457	2.3
191.02000	5.8
191.05530	100.0
192.05879	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.07619	0.3
51.59152	0.4
51.79232	0.4
62.62595	0.4
64.02979	0.4
142.49892	0.4
183.02942	0.4
183.13832	100.0
184.14175	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	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
51.58650	0.2
54.08828	0.2
56.94699	0.2
57.03321	4.0
65.01320	0.9
69.03333	0.7
71.04900	0.3
74.91005	0.3
80.02562	0.3
80.48105	0.3
83.04939	0.5
91.02916	0.3
95.04887	0.7
97.06469	12.6
98.06827	0.6
119.02429	0.3
120.08280	0.2
123.08062	7.5
125.09617	100.0
126.09955	5.6
142.03935	0.3
143.10666	2.2
144.04349	0.3
145.05092	0.3
147.04236	0.4
160.05066	1.3
169.08594	2.3
187.09686	35.2
188.10014	2.3
194.02130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57905	0.3
58.61734	0.4
59.01248	0.5
66.43915	0.4
73.67895	0.4
73.79481	0.4
76.40696	0.4
79.05401	11.4
79.05866	0.6
86.75868	0.4
91.78918	0.4
95.04913	0.5
105.06963	0.5
107.04909	37.2
108.05263	1.4
117.03358	0.7
120.04448	1.1
121.02821	0.4
129.06992	1.1
133.06451	1.0
134.03630	6.8
143.08540	0.8
145.10161	2.3
146.02313	0.4
147.08034	1.1
152.16364	0.4
159.04398	1.8
161.02361	0.8
161.09636	0.5
162.03157	1.7
164.03450	0.5
166.02632	11.7
171.08063	3.5
173.05986	14.0
174.06781	5.9
175.07156	0.5
187.07579	1.6
189.09140	100.0
190.09477	7.6
206.05878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1227
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
54.05040	0.6
57.03320	1.5
59.01258	5.6
66.03365	5.5
66.27742	0.7
67.01751	0.7
69.03338	2.9
69.41588	3.3
69.42010	2.6
71.01260	6.1
71.04898	3.1
73.02819	3.3
78.98485	1.1
81.03334	1.3
83.01237	0.6
83.04905	1.6
84.02029	2.8
85.02832	1.9
89.02325	2.2
92.97541	0.6
93.03335	7.9
95.01289	1.3
95.04923	0.8
96.95880	2.2
97.02830	4.2
97.06484	2.9
99.04433	0.7
101.02320	3.7
109.02862	4.4
109.06487	1.2
111.00742	1.0
111.04408	0.9
113.02349	1.2
119.03415	0.6
119.04881	0.6
123.00801	3.5
123.04414	0.7
123.08033	1.5
125.02338	1.3
125.09617	13.9
135.04390	0.7
135.08066	1.4
136.98740	0.8
137.02374	4.1
137.05971	0.9
137.09637	1.4
139.03903	0.7
145.10191	0.8
151.00279	15.1
151.11205	4.7
152.00575	1.0
152.11424	0.8
153.01906	1.5
153.09253	0.6
153.12759	11.0
161.09660	2.2
163.11211	12.6
166.02640	15.8
167.02943	1.2
170.05777	0.9
179.10698	11.4
180.84175	0.7
181.01381	1.9
181.04955	4.3
181.07112	1.5
181.08768	2.3
181.12267	100.0
182.08118	0.8
182.12619	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	182.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99472	2.3
66.03362	2.3
70.66499	1.6
71.56516	2.6
71.56879	1.8
72.71106	1.6
83.01244	2.0
94.02866	100.0
95.03231	3.8
99.91906	2.0
123.00758	4.0
124.01561	2.6
138.01874	20.2
139.08543	1.7
140.01086	1.8
152.00632	1.6
167.03009	2.7
168.00586	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	181.1227
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
50.06071	1.6
57.03320	3.0
58.00484	2.0
58.35979	1.5
59.01251	13.8
65.00191	3.5
66.03360	27.7
69.03325	6.0
71.01253	15.6
71.04869	1.9
71.57795	1.8
71.58174	2.3
73.02818	7.9
77.31654	1.7
78.98459	2.0
79.16434	1.8
81.03342	2.6
83.01225	2.4
83.04907	2.9
84.02035	7.1
85.02830	2.7
87.00744	3.0
89.01190	1.7
89.02312	6.5
93.03336	20.3
94.02872	1.8
94.03681	1.7
95.01302	2.9
95.04897	4.1
96.95883	5.5
97.02841	5.6
97.06479	5.0
98.03593	2.0
100.56696	1.7
101.02359	9.3
108.02064	3.2
109.02834	11.4
109.06464	2.6
111.00703	2.0
113.63078	1.7
118.67783	1.8
123.00785	14.0
123.08052	1.8
125.02328	2.8
125.09604	11.4
135.04408	1.7
135.08055	2.1
136.98708	3.0
137.02336	10.7
137.05975	4.8
137.09621	4.9
145.10095	2.1
151.00270	42.6
151.11168	8.8
153.01822	5.6
153.09087	1.7
153.12764	17.0
154.13092	2.0
161.09619	4.9
163.11208	21.1
166.02640	49.7
166.99791	1.8
167.02969	3.8
179.10710	34.9
180.11003	3.4
181.01389	8.5
181.04993	14.1
181.07079	6.7
181.08696	4.6
181.12262	100.0
182.08165	3.0
182.12617	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	179.0553
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.01757	3.0
55.64468	1.0
57.03328	3.3
58.00455	1.7
59.01254	36.3
64.28876	1.1
69.03333	7.2
70.32790	2.9
71.01257	40.7
72.99191	4.6
73.02820	12.9
73.81611	1.2
75.00752	30.7
81.03337	2.5
83.01250	6.2
85.02824	22.8
87.00755	100.0
88.01093	3.2
89.02323	12.4
90.98465	1.1
95.01264	2.3
96.31566	1.1
97.02825	10.1
99.00764	28.3
101.02333	11.1
105.68967	1.3
113.02353	4.8
117.01821	18.1
123.00751	2.1
125.02349	14.0
129.01796	1.1
131.03384	1.9
135.04425	16.3
136.01497	1.3
141.01891	7.6
143.03400	3.1
159.02892	4.1
161.04472	55.0
162.04790	2.6
164.01057	2.2
177.03922	1.6
179.03546	2.9
179.05539	61.5
179.06845	2.3
180.05907	3.4
180.07750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1022
Annotation	Chrysogedone A
Peak:m/z	Relative Intensity
58.30353	0.1
59.01242	0.6
59.01509	0.2
63.17261	0.1
65.00145	0.2
66.03388	0.2
70.89833	0.2
71.01250	0.6
71.44205	0.2
72.01614	0.2
73.02818	0.2
79.04130	0.2
81.03328	0.2
82.03985	0.2
83.01283	0.2
83.73999	0.1
85.02817	1.2
87.00732	0.6
88.01082	0.4
89.02325	0.3
93.03345	0.8
94.06503	100.0
95.01279	0.2
95.06253	0.2
95.06833	3.8
97.02839	0.3
101.02351	0.4
102.05413	0.2
108.04433	0.2
109.02818	0.4
110.02386	0.2
121.02843	0.4
123.00788	0.4
126.02734	0.2
135.04364	0.2
136.04747	0.7
136.07539	0.2
137.02402	0.8
137.05962	0.3
151.00290	2.5
153.01883	0.4
162.04762	0.5
165.01642	0.3
166.02635	3.6
180.00073	0.2
180.02841	0.3
180.05919	0.3
180.07793	0.2
180.10226	5.7
181.01317	0.5
181.04968	1.2
181.08676	0.3
181.10555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
65.97123	0.2
69.03326	0.3
70.87706	0.4
70.88019	0.3
71.01248	1.4
73.02822	0.4
75.63702	0.2
83.01256	0.6
84.74752	0.2
85.02813	1.2
87.00757	5.4
89.02304	0.4
89.03838	0.6
91.01782	0.3
91.05410	0.7
93.03361	0.6
95.01305	0.6
96.95906	0.4
97.02834	0.7
99.00767	1.4
101.02323	0.4
104.67468	0.3
106.04106	0.6
107.01254	0.6
107.04927	2.8
108.02084	0.4
108.05296	0.2
109.02844	0.9
109.03983	0.3
113.02299	0.3
117.01838	1.3
117.03371	0.7
118.02853	0.3
125.02341	1.0
133.02841	0.4
134.03639	8.7
135.04420	100.0
136.03963	0.3
136.04765	6.3
137.02362	0.5
141.01837	0.4
146.15131	0.3
151.00256	0.4
151.03947	0.4
151.07576	0.6
161.02324	0.4
161.04462	3.5
164.01082	1.4
164.04683	0.3
169.01324	0.3
175.39018	0.3
177.04010	0.3
178.99831	0.8
179.03432	12.5
179.05516	2.7
179.07060	1.0
180.02800	0.4
180.04062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.4
59.01269	5.4
65.99720	1.3
69.03324	1.1
71.01259	8.7
71.57088	1.6
72.99175	0.9
73.02814	3.0
75.00754	1.0
83.01237	2.1
85.02820	6.7
85.34735	0.9
87.00753	27.0
89.02312	2.1
94.02849	1.2
95.01252	1.3
96.95919	1.0
97.02793	2.0
99.00752	9.2
101.02323	3.6
103.95418	0.8
107.01270	2.1
107.04905	1.6
108.02125	1.2
108.04406	1.1
109.02836	1.7
113.02358	1.0
117.01849	5.0
119.49376	0.9
123.00780	1.6
125.02317	3.0
129.01772	1.1
134.03613	6.1
135.04424	100.0
136.01591	1.4
136.04782	6.1
141.01814	1.7
149.02390	1.0
151.03946	1.1
151.07576	2.2
159.02924	1.2
161.00864	0.9
161.04449	14.8
162.24396	0.9
164.01109	5.8
164.04669	1.5
178.98329	1.0
178.99860	4.6
179.02086	1.6
179.03407	17.3
179.05511	17.4
179.07047	4.8
179.10670	1.9
180.03987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0185
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
59.01235	0.4
67.01758	0.6
70.54008	0.4
71.01246	0.7
77.03828	1.2
79.01734	0.7
81.03333	3.3
89.03844	12.1
90.04189	0.8
93.03333	4.2
95.04887	2.4
98.19850	1.2
105.03342	18.2
107.01283	0.5
109.02840	0.6
117.98083	0.4
121.02840	3.6
123.04364	0.6
133.02852	33.4
133.06458	1.2
134.03447	1.5
135.04416	1.6
136.04768	0.8
137.02362	0.7
139.03906	1.5
149.02347	7.0
162.03125	5.3
163.03490	0.5
177.01854	100.0
178.02219	5.2
178.04930	1.0
179.03441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.95
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06858	0.2
57.03313	0.2
59.01241	1.0
69.03323	0.4
69.85248	1.0
71.01260	1.2
73.02814	0.5
79.95618	0.2
81.14597	0.2
83.01252	0.3
84.23711	0.2
85.02828	1.2
87.00753	5.2
89.02322	0.4
95.01246	0.2
95.24299	0.2
96.69950	0.2
97.02850	0.5
98.20466	0.3
99.00748	1.5
101.02325	0.5
107.01233	0.3
107.04899	0.2
108.02072	0.2
109.02848	0.3
111.72044	0.2
117.01822	0.9
119.93621	0.2
121.02871	0.3
125.02320	0.7
134.95987	1.5
135.04413	3.1
136.93910	100.0
137.93985	8.5
138.53900	0.2
141.01791	0.4
151.03935	0.4
151.07524	0.6
151.92635	14.0
152.92679	1.2
154.95013	1.2
159.02795	0.2
161.04482	2.3
164.01035	1.1
169.01347	0.2
169.93706	0.2
178.94994	32.2
179.03432	0.8
179.05547	2.5
179.07076	0.9
179.10585	0.3
179.95122	3.2
180.07961	0.3
196.96126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0448
Annotation	Shikimate
Peak:m/z	Relative Intensity
52.61867	0.7
57.03315	2.7
59.01253	4.2
60.99167	3.0
63.45310	0.7
65.01310	1.1
65.99743	1.1
67.01764	22.4
67.51018	0.7
69.03330	5.4
71.01252	8.8
71.49323	1.1
72.99181	1.3
73.02814	1.3
81.03319	2.9
83.04906	3.7
85.02849	1.7
87.00733	0.7
93.03339	100.0
94.03674	5.2
99.04344	0.8
109.02838	2.5
111.00748	1.2
111.04401	10.3
111.08034	2.3
111.15060	0.7
113.02313	0.8
114.40846	0.8
119.02398	1.4
123.00740	0.9
137.02336	1.2
145.02853	0.9
146.03474	1.3
153.00032	0.8
155.03346	2.5
173.04488	58.2
174.04866	2.5
191.05476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0764
Annotation	Calystegin B2
Peak:m/z	Relative Intensity
57.03341	3.2
58.02851	55.0
59.01250	74.2
61.45032	1.6
67.01747	2.3
70.25302	7.7
71.01258	11.2
71.52191	2.0
72.99153	2.0
73.02818	2.3
74.35909	1.5
78.08790	1.7
82.42604	1.9
84.01974	1.8
84.04422	11.0
86.05984	15.7
87.00768	10.6
93.03390	3.6
94.03671	11.2
100.07571	13.1
104.05293	1.6
110.06017	4.4
111.00758	2.8
112.01098	6.4
112.03926	5.3
112.04697	2.3
112.07589	2.7
114.05486	18.6
115.00251	5.9
115.03876	2.9
120.17560	1.8
126.43685	1.6
128.07071	100.0
129.07433	3.0
130.04976	1.7
130.08632	13.3
132.05612	3.3
132.06566	51.0
146.02330	1.8
156.06529	4.4
159.03197	2.2
172.69452	1.9
174.01790	2.6
174.07657	33.1
175.02515	1.8
175.03934	4.4
175.06030	5.0
181.51570	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	171.1019
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
59.01242	0.4
59.98429	0.5
60.08345	0.4
65.01321	2.7
69.53781	4.3
81.04453	0.5
89.01331	1.4
105.04451	0.7
109.73735	0.5
112.98656	0.5
118.37268	0.5
122.85075	0.5
125.09630	3.5
127.07545	1.3
127.11183	6.9
130.04022	1.0
141.09343	0.5
144.04456	0.5
144.05566	1.5
153.09131	1.7
171.01939	1.1
171.06783	2.2
171.10184	100.0
172.03947	1.5
172.10538	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	173.0084
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
53.00195	0.8
55.01754	2.2
57.03325	7.9
58.00473	0.9
58.02854	8.6
59.01252	17.0
60.99172	2.4
64.09732	0.5
64.65002	0.5
67.01763	21.6
68.02073	0.7
68.99675	1.2
69.03333	2.9
70.02824	0.5
71.01254	37.2
71.04904	1.1
71.35178	0.9
72.01598	0.8
72.99181	4.9
73.02822	9.3
74.96418	0.5
80.99702	0.5
81.03323	1.7
83.01259	4.7
83.04900	4.4
84.04429	1.8
85.02826	14.5
85.06460	8.5
86.06001	2.3
86.14074	0.5
87.00764	3.6
88.03895	1.3
93.03337	63.9
94.03660	2.5
95.01261	0.7
96.99208	1.4
97.02821	0.8
99.00761	12.9
99.04391	1.4
100.07581	2.5
101.02328	1.1
109.02823	1.4
111.00768	100.0
111.04399	11.5
111.08054	4.2
112.01106	4.1
112.03934	0.7
112.04710	0.6
112.98692	10.4
114.05492	3.5
115.00269	2.3
115.03934	0.6
117.01823	0.7
124.53047	0.5
124.98705	9.1
128.07066	15.2
129.01849	3.1
129.05499	1.4
130.08618	2.4
132.06560	8.1
137.02379	1.6
142.99767	20.7
144.00171	0.7
145.02847	1.0
151.15816	0.5
154.99770	3.7
155.03426	2.9
156.06596	1.4
173.00839	3.9
173.02220	0.9
173.04475	13.1
173.08095	2.2
173.11763	1.1
174.01767	1.0
174.04834	0.4
174.07643	8.3
185.77504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1019
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01752	0.2
57.03319	0.5
59.01243	0.5
61.02625	0.2
68.99697	0.2
70.15685	0.8
71.01236	0.3
83.04897	0.5
85.02815	0.4
97.06458	0.4
99.00760	0.5
99.08028	0.8
99.92456	0.3
100.38907	0.2
109.02831	0.5
109.06495	0.5
123.08066	0.6
125.09618	4.5
127.07578	1.6
127.11182	7.9
128.11508	0.4
130.08641	0.4
144.04477	1.0
153.09143	1.8
171.01907	4.3
171.10187	100.0
171.13763	5.5
172.02362	0.4
172.03928	0.5
172.10533	6.3
172.14235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0862
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
52.48521	0.5
55.01762	7.5
56.73829	0.6
57.03312	1.5
59.01239	0.7
65.00208	0.6
65.01311	0.7
68.86555	0.5
69.03332	10.4
69.28439	1.7
69.28860	4.6
71.01235	0.9
71.04893	37.7
72.05222	1.2
80.02538	1.8
81.03329	2.9
83.04903	8.9
84.63213	0.5
95.01257	0.6
95.04911	1.8
97.02843	3.8
97.06474	2.9
98.03169	0.6
98.19770	1.2
102.58810	0.6
107.01289	0.7
109.06496	1.0
110.02360	1.5
115.02881	0.7
123.08059	10.7
125.02342	25.8
125.05982	1.3
125.09615	100.0
125.99483	1.2
126.02704	1.2
126.09951	6.2
127.00232	0.7
128.07173	0.6
140.03418	0.6
141.09134	1.2
142.04031	2.5
151.00325	0.5
151.03999	0.7
153.99036	1.1
154.00227	0.7
156.42189	0.5
169.01329	9.6
169.03773	1.0
169.05089	2.9
169.08632	9.2
169.12215	1.1
170.07126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03327	0.5
58.00470	0.2
59.01252	5.9
59.98385	0.2
65.99741	0.1
68.99689	0.6
69.96340	0.5
71.01258	7.2
72.01592	0.2
72.35303	0.1
72.99184	4.5
73.02820	3.0
73.99535	0.1
75.00749	11.3
76.01092	0.3
77.74800	0.1
78.95778	0.1
79.95615	0.4
83.01245	0.2
85.02837	0.6
87.00754	100.0
88.01084	2.3
89.02319	2.5
93.03336	0.1
95.01196	0.1
99.00761	8.8
100.01089	0.3
101.02329	3.7
102.02641	0.1
103.00249	0.4
105.01820	76.4
106.02155	1.9
115.00276	0.1
117.01832	3.0
119.03400	0.8
119.04939	0.1
121.02852	0.3
125.02357	0.2
129.01834	0.6
135.02892	1.9
136.03242	0.1
137.02327	0.2
147.02899	6.2
148.03244	0.3
149.00874	0.2
150.03081	0.1
165.03964	37.8
166.01437	0.1
166.04276	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	165.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.4
57.03331	0.6
59.01252	8.0
62.40405	0.4
71.01259	7.9
72.99187	5.4
73.02832	3.3
75.00748	15.6
79.95617	0.7
80.96394	0.5
85.02832	0.6
87.00754	100.0
88.01099	1.5
89.02314	2.5
91.24803	0.4
92.78439	0.3
93.40734	0.3
99.00764	11.3
101.02325	3.3
101.73289	0.3
101.88968	0.4
103.00252	0.7
105.01822	76.8
106.02157	2.3
117.01839	2.6
119.03382	0.9
121.02846	1.1
129.01843	0.8
135.02893	2.3
137.02342	0.8
147.02902	6.8
147.55992	0.3
150.03180	1.0
159.13000	0.4
165.03961	41.2
166.01711	0.8
166.04311	1.7
177.39836	0.4
180.47192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00607	2.0
51.26263	2.0
52.23082	2.1
57.03325	11.6
59.01244	2.3
67.01755	2.7
69.03326	4.9
69.94493	5.9
69.94901	5.4
72.99204	2.6
76.21049	1.9
77.03848	4.5
77.73775	2.1
80.02545	4.3
81.03336	12.2
83.04894	23.7
87.00726	2.9
93.03323	9.4
95.04912	17.2
97.06463	34.8
100.29387	1.9
105.01827	4.9
107.04894	2.2
109.02870	5.6
109.06476	4.9
111.08049	35.5
119.04919	4.6
121.02843	100.0
122.03177	5.1
122.05863	2.0
123.04440	3.3
126.81066	2.1
135.04408	3.5
137.02342	19.8
137.09598	2.9
141.67790	2.2
147.04382	4.2
149.00838	7.7
150.03113	8.1
151.00275	4.2
153.28848	2.3
163.11208	10.2
165.01846	16.5
165.05489	5.6
165.09090	2.6
165.12778	53.2
166.04988	5.7
166.13046	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	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
58.02850	100.0
59.03184	1.3
68.01299	0.2
68.99700	0.4
69.03330	0.8
70.02862	0.7
71.01291	0.2
71.30417	0.5
80.17654	0.2
81.03336	0.3
82.02879	0.4
83.04928	0.3
95.01330	0.3
97.02855	0.8
102.01814	0.3
109.02370	0.4
124.04789	0.4
124.76897	0.2
125.02338	10.2
125.06017	0.5
125.09626	0.8
141.01880	0.4
151.11212	0.6
152.40622	0.2
153.01524	0.2
168.02870	0.3
168.13834	5.8
169.01357	3.3
169.05147	0.6
169.08578	0.4
169.12320	0.4
169.14262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.071
Annotation	phenylalanine
Peak:m/z	Relative Intensity
59.01252	2.1
65.01313	4.8
65.03840	1.3
65.99726	6.1
66.00858	1.1
66.03342	2.1
66.03668	1.0
66.93857	0.8
67.02901	1.7
67.88379	0.7
68.01292	1.5
68.99696	1.5
70.04794	5.2
70.05086	1.4
71.01247	1.0
72.00780	40.7
72.99199	1.3
75.00735	2.3
77.03842	3.4
79.02897	2.1
82.02872	1.6
82.03978	2.2
83.07461	0.9
87.00742	6.6
89.36184	0.9
91.02914	0.9
92.02460	1.2
92.04952	2.0
93.03322	4.4
93.04546	1.0
94.02854	2.6
95.01294	1.7
95.02389	3.0
95.79074	0.9
96.00806	1.7
98.03436	1.0
105.01852	4.5
106.04013	2.7
107.02419	1.6
107.03527	0.9
107.04884	1.1
108.02030	1.3
109.02831	3.5
109.03982	2.6
111.05532	1.0
118.06569	1.0
119.02411	2.3
119.04930	4.6
120.04430	2.2
120.05235	14.5
121.02843	42.9
121.03926	2.9
121.06492	2.0
122.03510	6.7
123.01885	3.5
123.05530	1.3
124.01505	1.0
124.02696	2.0
134.03490	3.6
135.04401	2.5
136.03967	1.3
136.04955	1.9
137.02333	12.4
137.03456	6.4
138.02997	1.6
139.17397	1.0
146.03502	1.7
147.04422	100.0
148.04755	6.1
149.00896	4.0
149.02335	3.6
150.03139	8.7
164.00742	3.0
164.03397	2.6
164.04552	9.0
164.07089	41.3
164.08157	1.6
164.96039	0.9
165.01830	9.5
165.02864	1.0
165.04022	3.1
165.05482	3.9
165.07527	2.7
165.09119	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	164.071
Annotation	phenylalanine
Peak:m/z	Relative Intensity
53.01680	1.4
59.01252	31.7
59.19036	1.4
64.41199	2.0
65.01318	7.6
65.99712	7.9
67.01771	2.5
67.02866	3.2
68.01287	3.5
70.37642	6.1
71.01263	1.7
72.00783	17.2
75.00739	4.1
77.03867	1.8
79.02866	2.0
81.03345	1.8
82.02849	2.4
82.03983	2.0
83.02388	3.8
87.00758	7.7
87.32855	1.3
91.02890	1.7
92.04933	3.2
93.03349	8.1
94.02876	4.5
95.01234	2.1
95.02393	4.8
96.00745	1.8
98.02348	1.8
98.19909	1.8
99.00700	1.9
105.01852	9.7
106.04003	3.7
107.02396	3.2
107.04945	1.6
108.02010	2.6
109.02844	5.9
109.03968	3.7
118.06552	3.7
119.02443	2.7
119.04911	6.5
120.00838	1.4
120.04438	6.0
120.05263	17.4
121.02847	59.1
121.03841	2.7
121.06492	2.5
122.03557	10.6
123.01904	5.1
123.04359	2.1
127.54250	1.5
134.03520	5.1
135.04419	1.7
137.02350	17.9
137.03467	9.2
146.03389	2.0
147.04431	52.6
148.04755	5.5
149.00903	6.2
149.02336	4.5
150.03152	11.1
164.00903	2.9
164.03384	2.7
164.04546	10.9
164.07089	100.0
165.01892	14.7
165.04010	5.8
165.05438	5.7
165.07451	8.2
165.09155	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	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29115	0.8
53.36398	1.0
63.02248	1.0
63.93368	1.0
80.15933	0.9
91.01777	5.4
91.16678	1.0
92.04934	1.8
93.03324	3.3
119.01251	3.0
119.04922	100.0
120.04539	1.1
120.05233	5.3
135.00761	3.2
135.04462	1.4
146.47122	0.9
163.00282	11.0
163.03920	8.1
163.11201	53.4
164.11540	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	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76962	0.2
63.02262	0.2
69.57198	0.8
69.57629	0.9
71.28499	0.2
82.04018	0.2
91.01778	1.0
91.05408	0.2
93.03338	1.5
98.20541	0.5
106.04006	0.3
117.03346	0.3
119.04919	100.0
120.04465	0.3
120.05247	6.0
121.02853	0.2
121.03922	0.3
121.05131	0.3
134.03569	0.4
135.00813	0.7
135.04405	0.6
136.05060	0.4
137.03439	0.3
140.49585	0.2
163.00314	2.2
163.02524	0.3
163.03925	5.7
163.05173	0.5
164.04417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.2
59.01240	0.5
65.01312	1.2
65.99707	0.5
68.99677	0.3
69.70240	0.7
69.70650	0.6
69.77340	0.2
71.01246	0.7
72.99196	0.2
73.02814	0.7
83.01273	0.2
85.02847	0.2
86.02328	0.2
87.00746	0.6
89.01337	0.7
90.00854	1.2
91.02882	0.2
96.95856	0.2
97.06462	0.6
98.20499	0.4
99.00744	0.6
101.02318	0.5
106.03988	0.6
111.00777	0.4
113.09687	0.2
115.02875	0.8
115.07483	0.3
116.02442	0.6
116.52887	0.2
116.92764	0.5
118.03963	0.2
119.04771	0.6
129.01828	0.4
130.04025	0.7
131.02510	0.4
131.03539	1.3
131.04366	0.2
132.01891	0.3
132.05550	0.2
157.05170	0.2
158.03505	100.0
159.02757	0.5
159.03972	5.7
159.06628	0.9
159.10187	0.4
162.85349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02866	0.3
59.01252	1.2
65.00200	0.3
65.03846	0.4
65.99728	0.3
66.03357	4.2
67.02879	0.3
69.03303	0.5
70.91022	0.7
72.04420	2.7
73.71930	0.2
79.95612	0.3
80.02582	0.3
80.96388	0.9
81.03339	2.2
81.04455	0.5
82.02859	0.5
83.01273	0.8
85.02856	0.4
91.01774	1.1
95.01271	0.4
96.95884	0.3
97.02831	0.7
103.30000	0.2
107.01292	0.3
108.02051	6.7
108.04408	0.7
109.02838	81.8
109.99059	1.1
109.99977	2.2
110.02370	0.4
121.02834	1.2
122.03629	48.4
123.00757	0.5
123.03875	3.5
124.01528	0.5
124.03912	0.5
124.04749	5.3
125.02325	2.4
125.03333	0.5
135.04401	0.8
137.01836	1.5
137.99507	2.5
151.00259	1.0
152.00172	1.7
152.03423	100.0
153.01849	14.2
153.03748	5.9
153.05446	0.7
153.09099	0.6
155.02963	0.3
169.40178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14864	0.6
63.02253	0.9
65.01316	3.0
65.99718	3.5
67.01762	0.7
67.02882	2.6
68.01306	0.9
71.01250	1.6
71.49049	1.0
81.03350	1.0
83.01263	1.2
83.02380	0.6
93.03334	2.3
95.01278	2.4
95.02407	0.9
95.04934	1.0
107.01263	0.9
107.02435	0.9
107.04909	5.1
108.02076	5.5
108.04403	1.0
108.05582	1.0
109.02827	1.8
109.03961	2.4
120.01920	2.2
121.02850	5.0
122.03704	7.1
123.00810	7.1
123.01780	4.5
123.04414	14.4
124.01521	1.1
132.59256	0.7
136.01564	47.0
137.02336	2.2
139.03920	3.3
149.02354	8.6
150.03128	100.0
150.05568	2.0
151.00322	1.3
151.03938	19.1
151.05199	1.3
154.02647	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05936	1.3
59.01239	1.4
61.98695	4.1
63.42055	1.3
65.01318	1.9
71.58887	1.3
71.59324	1.9
72.99189	7.2
75.00748	5.8
76.16888	1.4
77.03843	3.1
79.05402	8.3
84.36469	1.2
85.02818	4.1
91.05414	24.0
92.05750	1.4
93.03319	3.8
95.04904	4.7
95.20673	1.4
101.03854	2.9
102.04639	2.0
103.05421	14.8
104.05700	1.3
105.03344	16.4
105.04421	2.6
106.03979	1.5
119.04920	54.6
120.05195	3.1
121.02850	1.7
121.47198	1.4
123.04331	2.1
145.02849	3.7
146.03668	6.9
147.01897	4.1
147.04425	100.0
147.06364	2.7
148.04869	10.8
160.07471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.5
71.01257	12.5
73.02805	5.6
77.03853	9.2
89.02310	18.5
93.03331	31.7
94.99172	9.9
95.01253	12.0
95.04907	10.1
101.22697	4.2
105.03332	8.1
121.02851	100.0
127.49638	4.9
128.18549	4.9
128.25682	5.2
130.04176	10.2
134.03625	15.2
149.01010	7.9
149.02336	75.6
149.05997	23.1
150.00072	14.2
158.34157	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	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00177	0.8
65.01315	1.7
65.99728	2.4
67.01762	1.3
67.02892	1.0
69.94942	3.7
93.03325	1.4
95.01278	1.8
95.04939	1.3
105.03385	0.9
107.01340	0.9
107.04945	2.0
108.02062	3.6
108.05595	1.3
108.45225	0.8
109.02802	1.0
120.01862	1.0
121.02836	8.0
122.03645	11.5
123.00782	5.6
123.01775	0.7
123.04417	28.4
124.01535	0.8
133.02835	0.9
136.01567	16.7
137.02335	1.9
139.03905	2.8
149.02359	9.4
150.03136	100.0
151.03946	23.2
154.02690	1.4
158.12057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00249	2.5
55.01749	3.4
57.03324	29.6
59.01254	17.2
69.49603	12.1
69.50032	7.8
71.01260	25.9
71.04893	7.1
72.98833	2.4
72.99162	13.2
74.67362	2.5
75.00740	6.2
81.16267	2.4
85.02827	100.0
87.00755	80.0
92.04967	2.7
98.19859	5.0
99.00761	7.0
101.02317	2.7
101.05958	9.1
103.03886	8.1
106.89504	2.4
117.48647	2.3
119.04940	5.4
129.01823	14.1
140.05449	2.4
147.02887	14.0
147.04410	17.4
147.06544	7.7
148.05009	4.2
148.07454	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.5
61.98696	2.6
67.14375	2.4
69.03320	7.8
71.01255	13.5
71.04869	3.5
71.58103	3.2
71.58492	2.9
71.61539	2.3
73.18730	2.4
81.03363	6.3
83.04880	3.9
85.02838	10.6
87.00742	4.4
87.04398	2.8
97.02837	4.1
99.04453	3.8
99.67162	2.4
116.02446	3.7
125.02339	8.7
125.05958	2.6
143.02467	3.0
143.03452	10.4
143.07018	3.2
143.10678	100.0
144.04498	28.8
144.05547	6.0
144.06558	19.5
144.11018	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	27.3
58.15236	8.4
59.01248	34.2
64.53977	8.5
69.52053	47.0
69.52474	19.8
71.01255	50.2
72.92747	6.9
72.99181	16.2
73.02822	34.9
74.02352	54.9
83.01264	23.3
83.04910	9.9
83.58114	7.3
84.04391	20.7
87.00759	21.5
95.58078	8.8
98.02358	19.9
99.44672	8.8
100.03911	8.4
101.02327	79.5
102.05486	100.0
104.03406	9.1
115.00257	26.6
127.05020	10.7
128.03496	39.8
145.01340	14.8
145.02896	11.8
145.04002	12.0
146.02373	24.5
146.04510	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0188
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01767	0.9
59.41982	0.4
65.99751	0.5
66.00853	0.6
67.01776	1.0
67.02892	0.6
68.01296	0.8
68.99664	0.7
71.44984	0.9
83.01246	0.8
93.03325	0.8
94.02873	0.7
94.03658	1.6
95.01241	0.6
95.02424	0.6
97.03985	0.6
108.02059	94.6
109.02401	5.0
109.04021	0.6
111.00783	5.0
111.01898	0.6
123.03188	0.8
137.01958	0.5
138.01874	100.0
139.00267	1.8
139.01447	0.5
139.02222	5.6
139.03935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	7.7
57.03325	17.6
59.01253	3.9
67.01760	12.3
68.01276	2.8
68.99694	15.6
69.03319	52.4
69.72463	13.6
69.72865	4.9
71.01251	40.6
72.99190	4.2
73.02831	10.7
78.95773	6.2
79.01789	3.3
80.41437	3.1
83.01258	9.2
85.02823	37.6
92.09311	2.8
95.01261	56.1
97.02815	29.2
99.00751	100.0
100.01180	2.7
105.58559	2.4
111.00771	10.2
111.95511	2.8
112.98689	29.5
113.02332	16.9
123.00751	42.5
138.35541	2.5
140.98193	14.3
141.01830	71.5
142.02240	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	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00227	0.9
50.31294	0.6
65.01315	1.5
65.03830	2.1
65.99712	1.7
66.00857	0.9
66.03358	1.5
67.01757	1.6
67.02886	2.8
67.78796	0.5
68.01286	2.6
69.03328	9.0
69.49572	4.2
71.37976	0.5
78.95766	0.8
81.03335	3.4
81.04455	1.0
82.02863	2.1
83.01258	24.3
84.01593	0.6
91.01789	2.2
93.03336	50.7
94.02871	2.1
94.03683	2.4
95.01273	2.1
95.02382	1.2
96.00810	1.2
98.19887	1.3
108.02052	11.1
109.02846	18.4
109.03971	1.5
110.02399	1.1
110.03188	1.4
119.01250	1.3
119.02419	1.0
120.01919	1.2
123.00825	0.9
123.03157	1.6
136.01555	9.7
137.02350	100.0
138.01840	5.1
138.02768	5.6
138.05553	2.0
153.01874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0188
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.63380	0.7
52.97869	0.8
54.25368	0.7
55.01730	0.8
62.15147	0.9
65.99726	0.8
66.00845	1.1
67.01752	4.1
68.01279	2.3
68.99702	1.6
69.29192	0.8
70.33718	2.3
70.34129	1.8
82.02884	0.9
83.01249	1.6
92.27975	0.7
94.02840	1.6
94.03673	2.2
95.01284	1.2
95.02394	1.3
97.03929	1.2
98.19855	0.9
108.02057	97.2
109.02381	6.3
111.00773	10.0
111.01878	1.8
120.01910	1.7
123.03151	3.7
138.01866	100.0
138.02695	4.4
138.05501	2.4
139.00311	4.8
139.02205	5.4
139.03914	1.1
150.22145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60839	1.1
59.01256	9.4
63.40477	1.2
64.01785	1.9
65.01294	2.0
65.99726	3.0
70.92838	2.8
71.01255	10.2
72.99189	17.6
73.01670	2.2
73.02798	1.9
75.00748	100.0
75.28016	1.3
76.01083	1.9
80.96429	1.6
87.00757	28.3
89.02321	7.3
92.04958	2.2
92.86967	1.4
93.03345	2.6
95.95153	5.8
106.04093	1.8
107.04909	4.9
108.02026	4.6
109.33569	1.2
115.00231	1.9
117.00661	1.8
117.01826	2.7
131.46509	1.2
134.03625	5.7
134.89349	3.9
134.91502	8.8
135.01921	2.6
135.02904	20.3
135.04419	23.3
135.96988	5.7
136.01503	1.8
136.04788	1.8
154.94286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03836	18.0
69.77937	5.8
71.28704	1.0
74.13814	0.9
78.60629	1.0
84.56139	0.9
86.50863	0.8
89.03834	2.3
89.06213	0.9
91.01763	3.0
91.05409	64.4
92.04933	1.0
92.05739	4.2
93.03329	14.7
94.64358	0.9
98.19793	1.5
98.89368	1.1
106.04165	1.2
107.04306	1.0
107.04879	4.9
107.17553	0.9
107.60344	0.9
108.02050	1.8
117.03370	1.9
123.25644	0.9
134.03625	12.9
134.19389	0.9
134.86403	2.6
134.89369	2.0
135.04416	100.0
136.01541	1.6
136.04767	7.8
145.46954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27801	0.5
59.01247	2.7
61.64729	0.6
62.01112	0.7
69.65405	4.2
71.01255	100.0
72.01582	3.4
72.99183	32.9
75.00759	3.3
79.47300	0.6
87.00758	2.4
87.04427	0.7
89.02329	8.1
107.03522	0.9
115.00259	90.6
116.00595	3.9
127.88881	0.5
133.00372	1.1
133.01329	14.7
133.04961	3.5
134.04639	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	134.0463
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01312	3.2
65.99734	0.6
68.02393	0.7
69.77682	0.4
70.42161	1.8
71.01257	1.5
72.01614	0.7
72.99181	0.7
75.00753	3.4
78.79187	0.5
80.02401	0.6
81.35675	0.5
85.02817	0.8
87.00766	0.7
92.02420	13.6
93.02761	0.5
93.03322	1.3
106.04080	1.5
107.03519	48.2
107.04841	3.4
108.02077	0.8
108.03865	1.4
116.00582	1.2
134.03615	9.3
134.04613	100.0
135.02818	1.2
135.04353	25.1
141.65958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.5
67.23039	0.4
70.34739	0.9
71.01257	92.2
72.00756	0.6
72.99181	26.6
75.00744	2.1
84.00810	0.5
84.04441	1.0
86.05988	1.8
87.00738	2.4
88.03916	12.6
88.07615	0.5
89.02322	8.2
112.03927	2.0
114.01832	0.9
114.05493	1.6
115.00259	100.0
130.05003	0.4
132.02953	2.2
132.06566	3.0
133.01332	17.5
133.04968	1.3
144.05391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47361	1.0
59.01251	1.5
60.16642	1.2
71.01253	95.3
72.01601	3.1
72.99179	25.5
79.07653	1.1
87.00755	2.3
89.02313	9.2
115.00256	100.0
116.00622	4.5
120.84067	1.1
133.01326	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81599	4.3
55.01756	19.7
57.03324	28.8
59.01250	12.3
63.43264	4.4
65.01331	14.0
67.01763	61.3
68.99689	42.3
70.13684	4.6
70.79475	9.7
71.01255	23.0
72.99203	13.8
73.02821	8.2
83.04915	7.9
85.02831	73.3
87.00754	9.8
88.03925	41.8
89.01324	8.9
96.99193	8.3
101.02345	5.7
103.02885	11.9
111.00774	7.5
126.21845	4.7
129.01843	31.3
129.03218	10.4
129.05478	7.4
129.07448	13.5
130.04008	100.0
130.04959	8.3
130.08606	30.8
135.28419	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	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86846	9.0
53.97100	8.1
55.01769	11.2
57.03310	38.4
59.01252	15.7
67.01772	61.2
68.99680	19.4
69.49603	33.7
69.50024	48.6
71.01247	25.9
72.99191	18.0
73.36881	9.2
85.02830	100.0
85.18333	8.3
87.00763	10.5
88.03912	39.2
99.00744	13.3
111.00759	18.9
128.90068	12.9
129.01820	27.4
129.07387	29.9
130.04015	15.7
130.05013	12.7
146.33530	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	128.0707
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
55.01756	3.9
57.03310	6.6
57.38559	2.1
61.82938	1.7
62.32838	1.8
67.01749	8.8
68.99688	6.2
69.91587	1.9
70.15587	9.5
70.39244	2.0
71.01255	4.1
72.99185	3.9
73.02822	2.1
83.04884	2.1
85.02821	7.7
87.00786	3.0
99.00731	3.4
110.13715	2.1
128.03418	11.9
128.07068	100.0
129.01828	7.4
129.07413	7.1
138.01639	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	1191.6893
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	1.8
85.02826	5.6
87.00752	4.2
89.02317	10.5
95.01247	2.2
97.02832	4.3
99.00760	1.6
101.02325	17.5
109.02891	0.7
111.00711	0.8
111.04417	1.2
113.02332	8.5
119.03416	3.4
123.16974	0.6
125.02341	8.3
133.04913	0.7
139.04025	0.6
143.03427	2.8
149.04398	0.8
161.04454	4.1
179.05534	3.5
199.06110	0.8
217.07057	1.0
221.06625	2.0
235.08191	9.7
245.06662	0.7
253.09311	2.0
263.07703	1.1
277.21811	1.6
279.23294	74.4
280.23730	2.7
287.07813	2.9
305.08716	4.4
323.09668	0.9
376.20547	0.7
379.12201	1.1
397.13492	100.0
398.13809	3.2
415.14587	35.9
416.15244	1.2
502.59213	0.6
595.29004	1.0
677.37689	5.2
717.71436	0.7
1039.03003	0.7
1120.55029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74297	0.4
56.43789	0.4
61.98724	0.8
67.91292	0.4
69.55165	3.3
91.05437	1.2
93.03336	5.4
101.40022	0.3
101.92300	1.6
104.02566	0.7
117.03336	0.6
118.91791	0.6
118.92516	2.7
118.93985	0.4
119.04920	100.0
120.05234	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	4.5
54.51354	0.9
59.01228	1.0
64.01797	1.9
65.01319	6.4
65.99717	8.7
68.01268	2.3
69.48859	9.4
70.02871	1.2
77.01315	1.7
79.02908	1.2
79.95628	1.6
83.89184	1.1
91.02901	6.5
92.01305	4.5
92.02405	1.8
93.00832	2.3
93.03339	8.1
98.20553	1.3
101.92284	1.2
117.03358	1.0
118.04025	1.6
118.92607	3.1
119.02422	14.7
119.04923	100.0
119.77699	1.1
120.01950	4.1
120.05567	17.6
122.17280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01216	4.5
71.46210	3.6
73.02819	100.0
83.35034	3.3
90.00826	6.6
94.52135	3.6
99.92469	20.0
110.22828	3.5
116.92733	37.5
117.01830	14.5
118.02907	6.9
118.03955	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01216	4.5
71.46210	3.6
73.02819	100.0
83.35034	3.3
90.00826	6.6
94.52135	3.6
99.92469	20.0
110.22828	3.5
116.92733	37.5
117.01830	14.5
118.02907	6.9
118.03955	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	119.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30697	0.5
54.32135	0.5
61.98689	1.5
69.29078	5.9
91.05420	1.5
93.03340	6.7
98.19857	1.2
101.92312	2.5
104.02596	0.8
105.44781	0.5
109.36090	0.5
117.03303	0.9
118.91784	0.9
118.92493	4.3
118.93291	1.3
118.93927	0.6
119.04921	100.0
120.05252	7.6
127.43876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01247	1.5
85.02827	4.5
87.00759	1.4
89.02316	2.4
95.01270	0.9
101.02316	5.9
113.02317	3.9
119.03397	1.3
161.04396	2.0
207.50740	0.9
212.06606	0.8
253.09297	4.8
279.23285	85.6
280.23633	4.1
401.71429	0.8
437.12497	1.3
438.13376	10.4
439.13910	1.3
451.14444	1.8
452.14902	6.1
453.15671	1.5
465.11960	1.3
466.13205	1.3
467.13470	2.8
468.81644	0.9
470.12000	1.5
479.13773	1.5
480.14270	3.3
481.15179	83.0
482.15656	13.9
483.16681	1.5
484.13196	1.7
495.16766	30.2
496.17322	4.3
497.18433	1.9
509.14316	1.9
514.14978	4.6
515.14758	1.0
523.16351	2.2
525.14160	2.8
539.15662	5.2
540.16553	24.4
541.17346	4.7
550.17358	1.0
551.19366	2.3
553.17273	2.2
554.17944	5.5
555.18884	91.5
556.19061	7.8
557.20337	1.0
567.18896	3.4
572.15515	56.4
573.15674	8.2
586.16968	12.3
587.17401	1.1
591.99487	1.1
609.20215	4.9
627.21002	2.8
641.22577	100.0
642.22742	13.1
643.23999	11.9
659.23773	2.8
674.22913	3.0
701.25024	1.2
785.26447	2.3
803.28265	4.4
877.31488	63.5
878.31580	9.4
895.32306	8.2
921.46582	89.6
922.46826	14.5
1065.49622	1.4
1157.55493	29.3
1158.55701	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	1153.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03340	1.2
83.01269	3.3
89.03814	0.8
93.03324	1.8
95.01281	0.8
95.04917	0.8
97.02815	1.0
107.04911	1.9
107.83137	0.4
108.02055	0.7
109.02839	8.1
115.05447	0.4
117.03352	1.3
119.04897	0.3
121.02849	2.1
123.00762	0.4
123.04419	4.9
124.01525	0.5
125.02340	100.0
126.02660	2.8
130.04170	0.4
131.04971	1.7
132.02063	1.0
133.02859	7.7
135.00876	0.4
135.04381	2.0
137.02351	10.1
139.03902	1.0
143.04979	0.6
145.02888	0.8
145.06535	0.5
146.03636	0.7
147.04427	1.4
149.02344	2.8
149.05974	0.6
150.03152	1.1
151.03923	9.6
152.04240	0.5
155.04865	0.4
157.06554	0.4
158.03636	0.6
159.04448	2.1
159.05583	0.3
160.01492	0.4
160.05255	0.6
161.02356	33.6
161.06004	1.5
162.03085	2.2
163.00270	3.2
163.03914	3.1
164.01065	6.7
165.01852	6.9
167.03397	1.8
171.04366	0.5
172.05246	0.4
173.02359	0.6
173.05995	1.5
174.03181	1.0
175.03922	15.8
175.07457	0.5
176.01117	1.0
176.04460	0.7
177.01860	10.9
177.05484	1.1
179.03433	1.5
183.04439	1.0
185.02383	0.4
185.06038	0.8
187.03951	3.5
188.04710	1.3
189.01869	2.1
189.05504	0.6
190.02617	0.7
191.03432	1.3
193.05002	1.0
197.06006	0.6
199.03947	4.1
199.07687	0.4
201.01839	1.2
201.05482	2.9
202.06245	0.6
203.03455	3.2
203.07089	2.6
205.01369	1.0
205.05011	2.3
209.65897	0.4
211.03970	1.2
212.04832	0.5
213.05508	0.7
214.02640	0.5
215.03429	1.4
215.07033	0.5
217.01620	0.5
217.04997	9.1
219.02934	3.2
219.06627	1.1
221.08185	0.4
225.05547	2.3
227.03487	2.4
227.07155	1.0
228.04184	1.1
229.05049	2.2
231.02936	1.7
239.03387	0.5
241.05013	1.4
243.02968	23.3
243.06505	2.0
244.03419	1.3
244.06903	0.3
245.04527	11.2
245.08183	3.6
246.04938	0.5
247.06200	0.5
251.03491	0.4
253.04999	1.0
255.02977	6.5
255.06673	0.6
256.03745	2.7
257.04553	2.0
258.64832	0.4
259.05972	0.5
261.04047	6.0
262.04349	0.5
265.04959	0.6
267.03186	0.8
269.04520	4.5
270.05118	0.8
271.02475	0.6
271.06219	0.7
273.04184	1.7
277.04953	0.4
279.02994	0.5
281.04529	2.3
282.01749	1.3
282.04852	0.5
283.02518	2.2
283.05423	0.5
284.03143	0.4
285.04156	3.1
285.07358	0.6
286.04614	0.5
287.05612	35.7
288.05914	2.1
289.07172	13.3
290.07578	0.6
291.06787	0.5
293.04697	1.7
295.02567	0.9
295.06210	1.3
297.04034	1.4
297.07297	0.5
299.05554	2.8
305.04581	0.5
309.04141	0.9
311.05621	1.0
321.07672	0.4
323.05673	0.4
327.05124	1.1
329.06662	1.4
335.05734	1.0
337.07236	1.0
339.05127	0.5
339.08789	1.0
341.06812	1.0
361.03400	0.9
363.05093	1.4
365.06836	0.4
374.04388	0.5
379.08536	0.6
381.10025	0.6
383.07837	0.4
387.05109	1.5
391.04865	0.6
395.07687	1.4
405.06113	6.2
406.06821	0.6
407.07706	15.8
408.08118	1.1
413.08765	10.3
417.05859	0.6
423.07217	6.4
424.07513	0.7
425.08789	8.6
426.09204	0.7
433.09320	0.8
437.08667	0.8
447.07269	0.7
449.08813	9.8
450.09076	0.9
451.10278	5.4
452.07123	0.9
465.08051	0.4
467.09930	0.8
525.08337	1.1
531.09784	1.2
533.11029	1.5
543.09161	1.1
549.10254	1.0
557.10925	1.1
559.12555	1.0
567.09540	0.5
569.10791	1.1
575.11938	11.4
576.12488	1.4
577.13458	11.1
578.13702	0.5
585.10620	0.5
587.12122	2.4
629.13318	0.5
677.13495	0.5
693.12903	1.6
695.14270	4.8
701.15131	2.2
711.13623	1.0
713.14905	1.4
737.15521	1.0
739.16656	3.6
740.14966	0.7
813.14825	0.8
831.16095	0.9
847.18817	0.6
857.17340	0.5
863.18823	1.8
865.19470	4.2
880.95087	0.5
965.19080	0.5
983.20361	1.9
1001.22656	0.8
1027.23645	0.7
1153.25317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73585	0.8
59.01229	1.9
66.03354	3.5
71.01253	19.4
71.04885	2.9
72.00784	1.0
73.03944	2.2
86.02345	1.2
86.27489	0.7
86.87141	0.7
87.00803	0.8
97.93011	1.4
112.03925	2.2
114.05489	100.0
114.93301	3.2
115.00250	1.7
115.03899	1.2
115.05147	0.8
115.05852	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02381	3.4
59.01255	16.1
69.73704	6.5
69.74100	20.5
71.01250	100.0
72.99169	5.6
73.03929	7.4
74.02335	4.8
87.00756	42.9
96.68144	3.3
96.99232	5.2
98.20540	4.7
115.00238	20.1
115.05867	4.0
116.02374	3.5
116.51879	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	1153.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	2.5
89.03841	0.8
91.58492	0.7
95.04913	0.7
97.02837	1.4
107.04903	1.3
109.02824	8.0
117.03364	1.2
121.02816	1.7
123.04418	4.2
125.02340	100.0
126.02649	1.4
131.04945	1.5
133.02859	7.2
135.04407	2.2
137.02345	10.4
139.03926	0.9
143.04935	0.7
147.04388	0.9
149.02344	2.9
151.03918	10.0
159.04428	2.3
160.86304	0.7
161.02361	35.6
161.05988	1.6
162.03015	2.5
163.00302	3.3
163.03922	3.5
164.01071	6.4
165.01866	5.0
167.03375	2.4
173.02254	0.8
173.05934	1.4
174.03162	0.8
175.03940	16.8
176.01118	1.3
176.04362	0.8
177.01871	12.3
177.05452	1.5
179.03426	1.7
183.04526	0.9
187.03970	3.7
189.01923	1.9
190.02481	0.9
191.03505	0.9
193.05031	1.4
199.03906	4.7
201.01810	1.0
201.05487	2.2
202.06212	0.9
203.03456	3.9
203.07092	2.5
205.01418	1.0
205.05034	2.8
211.04008	1.2
213.05450	1.3
214.02693	0.9
215.03510	1.8
217.01472	0.8
217.05005	9.4
219.03026	3.9
219.06505	0.9
225.05562	2.1
227.03447	2.6
227.07193	1.2
228.04210	1.0
229.04994	1.9
231.03008	1.0
241.05144	1.7
243.02957	20.6
243.06721	2.2
244.03439	1.7
245.04510	11.4
245.08160	3.5
253.05057	1.5
255.02977	6.5
255.06567	0.9
256.03650	2.5
257.04620	1.8
261.03964	6.3
267.06815	1.0
269.04581	5.4
273.04083	1.7
281.04620	2.8
282.01706	1.1
283.02570	3.1
285.04205	3.5
286.04623	1.1
287.05615	34.8
288.05997	1.1
289.07202	13.2
299.05615	2.5
309.04135	0.9
327.05020	1.0
337.07404	1.2
341.06519	1.1
363.05215	0.9
383.07309	0.9
387.04849	1.4
395.07794	1.0
405.06100	6.6
407.07733	17.2
413.08789	11.1
414.09171	1.2
423.07068	6.8
425.08841	7.7
449.08749	9.7
451.10516	5.5
473.09024	0.9
525.08221	1.0
531.09113	1.3
543.08740	1.5
549.10632	1.1
559.12659	1.3
561.09277	0.7
569.11646	0.9
575.11884	11.0
577.13550	12.4
578.14270	0.9
587.11566	1.7
593.17096	0.8
608.31793	0.8
693.12579	1.2
695.13776	5.9
701.15198	1.8
713.15326	1.5
739.17053	4.2
813.13953	1.7
831.15350	1.3
863.18475	2.7
865.19781	4.6
983.19818	3.4
1001.21155	0.8
1153.26514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.055
Annotation	L-Proline
Peak:m/z	Relative Intensity
50.70798	0.8
66.03359	2.7
69.79956	0.7
71.01258	13.1
71.05262	1.6
84.00797	0.7
86.02343	2.2
112.03931	2.0
114.05497	100.0
115.05840	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	1137.728
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03329	2.8
83.01257	0.6
83.04901	7.7
85.02830	2.4
85.73503	0.3
86.39253	0.3
89.02310	0.4
93.36798	0.3
95.01289	0.4
99.00780	0.7
101.02325	2.8
109.02838	0.4
113.02338	1.8
115.02120	0.3
115.06284	0.3
115.88126	0.3
119.04907	0.3
125.02321	0.9
125.07090	0.5
134.03651	0.3
137.02357	0.4
142.01781	0.3
150.03133	0.5
151.03896	0.6
161.02327	0.5
161.04515	1.4
165.01747	0.4
165.05470	0.5
177.05499	0.4
177.29181	0.3
193.05074	0.3
207.14902	0.8
222.16208	0.3
224.17604	1.6
225.16034	9.6
226.16324	0.4
242.18736	0.5
243.02888	0.4
289.67914	0.4
309.21851	0.9
323.56848	0.3
324.26526	0.6
333.23004	0.6
341.29175	0.5
367.27142	0.8
373.22314	3.9
387.14255	0.4
415.23270	2.4
426.17075	0.3
433.31931	0.9
450.34525	1.3
451.32932	7.3
452.33298	0.4
550.43414	1.1
559.40234	0.6
565.44672	0.4
593.44019	0.8
659.48456	2.8
677.49707	100.0
678.49927	8.5
763.10510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95780	16.0
79.95631	0.4
80.53017	0.2
96.96839	1.1
98.20522	0.4
124.98021	0.2
150.08180	0.2
150.97980	0.3
152.99493	23.1
153.99802	0.7
164.16200	0.2
171.00558	2.8
227.03242	2.8
245.04301	9.2
246.04660	0.8
253.21696	3.6
254.22063	0.8
255.23276	100.0
256.23593	4.3
269.28809	0.2
358.85315	0.2
481.25745	7.2
482.26077	3.6
483.27283	59.7
484.27582	3.5
527.48932	0.2
795.23218	0.6
897.47455	0.3
1125.50403	10.6
1126.50671	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	1111.6419
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96069	1.5
80.96601	3.6
81.03507	0.6
83.04552	1.3
83.05110	3.0
85.06119	0.9
85.06664	1.4
89.02542	1.3
93.03488	0.4
95.05072	0.7
97.03021	0.7
97.06698	1.9
101.01922	0.8
101.02562	1.3
107.08758	0.7
107.21544	0.4
109.05975	0.4
109.06662	1.0
111.08290	2.5
113.02534	0.7
119.03562	0.7
119.04388	0.5
119.05132	0.8
121.10332	0.6
123.08270	1.1
125.02569	1.2
125.08858	0.6
125.09882	5.6
133.06723	0.5
135.08313	0.7
137.09818	0.8
151.11412	1.0
157.10394	0.4
159.11932	0.7
163.11443	0.6
167.10982	0.4
171.10468	3.4
177.12958	0.6
187.14848	2.1
189.16544	0.5
193.12572	0.4
195.14078	0.4
200.28606	0.4
203.14525	0.6
205.15939	3.4
207.14165	1.3
209.12059	1.4
211.13351	6.3
215.14505	0.8
221.15419	2.7
231.13812	3.2
233.15439	16.7
234.15846	0.8
235.08372	1.1
235.13707	0.6
239.16736	1.3
240.42255	0.4
247.13799	0.6
247.14638	0.8
247.16983	4.0
249.14949	18.0
250.15366	0.8
251.16692	0.6
263.16660	1.0
266.15207	2.4
277.21756	7.2
277.24371	0.6
305.08792	1.0
313.25760	1.3
323.24033	0.7
331.26559	0.9
339.23416	0.7
341.24780	2.8
357.24545	1.4
359.26202	0.7
367.22958	2.0
373.27548	1.3
375.25449	1.4
385.23865	6.0
397.13483	11.5
398.13712	0.5
399.25525	0.5
403.24905	3.5
407.28226	0.6
415.14429	4.5
417.26480	61.1
418.26852	3.3
435.20944	5.2
435.27487	100.0
436.21439	0.7
436.27744	6.0
548.91418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43549	1.6
59.62606	1.8
65.86678	1.6
67.01759	43.1
68.02084	1.6
70.74500	3.5
70.74873	3.2
78.95774	100.0
79.95612	4.8
81.30609	1.6
82.73746	1.5
83.01247	8.7
84.00744	1.7
84.04443	5.1
85.02805	2.4
110.97469	18.5
110.98201	3.0
111.00761	89.7
112.01088	4.8
112.03943	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14753	1.3
55.01744	5.6
67.01756	20.5
69.55678	11.9
78.95776	100.0
79.95596	8.9
83.01256	15.9
83.04888	2.5
85.02863	2.4
95.95081	1.5
98.19781	1.9
105.21487	1.3
110.97476	20.3
110.98296	2.3
111.00763	86.1
111.04435	4.3
112.01115	4.3
112.03974	1.9
117.47956	1.5
119.45656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
76.80697	0.4
83.01279	0.5
89.02364	0.5
95.19968	0.4
101.02363	0.7
109.02865	0.8
113.02303	0.4
114.29709	0.4
121.02807	0.4
125.02321	0.7
131.01323	1.0
132.02092	0.8
133.02841	10.6
149.02344	0.6
161.02367	0.7
163.00258	0.9
163.03880	0.9
165.01936	0.8
173.02353	1.7
175.00310	3.5
175.03963	1.9
177.01845	0.7
191.03410	0.8
193.01318	1.1
201.01880	1.0
213.05420	0.4
216.73119	0.4
225.05469	0.5
237.05588	1.0
239.03441	0.7
240.04385	0.6
241.05087	0.4
253.05016	0.6
253.73044	0.4
255.02942	0.5
264.04300	0.5
265.05051	1.7
267.02985	1.7
269.04553	0.8
281.04590	0.7
284.03253	4.4
285.04105	5.4
291.03079	0.5
297.04050	11.1
298.04819	7.7
299.05621	9.2
300.05991	0.7
309.04059	72.8
310.04340	3.7
311.05609	2.6
325.03452	0.7
326.04111	0.5
327.05099	66.5
328.05411	3.4
339.05130	3.0
341.06628	0.7
351.05124	0.8
357.06165	25.9
358.06604	1.4
369.06149	1.5
393.06204	1.4
394.06171	0.4
411.06744	0.4
429.08267	14.0
430.08487	0.6
446.67087	0.4
447.22275	0.5
449.11029	0.6
489.10413	10.2
490.10852	0.8
545.88074	0.4
609.14636	100.0
610.14948	8.8
611.15167	0.8
1030.17896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6187
Annotation	Unknow
Peak:m/z	Relative Intensity
76.80499	0.1
78.95778	5.1
82.97927	0.1
83.04894	0.3
86.44898	0.1
107.93357	0.1
110.98416	3.2
116.32830	0.1
129.88535	0.1
152.99472	0.4
160.25919	0.1
167.01050	1.3
185.02126	3.6
233.22684	0.4
254.95059	0.1
259.20667	0.7
275.20132	0.4
277.21716	100.0
278.22064	4.0
397.13632	0.2
445.23599	49.2
446.23959	2.3
605.40125	0.2
924.42279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6187
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	5.0
83.04903	0.2
96.95901	0.1
101.15536	0.1
104.97305	0.1
110.98419	3.5
113.05958	0.1
116.13547	0.1
116.92759	0.1
127.07510	0.2
136.66629	0.1
136.99989	0.1
152.99483	0.3
167.01062	1.5
167.10513	0.1
185.02133	3.7
218.18602	0.1
223.99742	0.1
229.69870	0.1
233.22632	0.4
235.09048	0.1
259.20663	0.5
275.20108	0.5
277.21719	100.0
278.22055	4.7
445.23602	50.9
446.23929	3.0
678.00275	0.1
922.53796	0.1
1036.68054	0.1
1040.54919	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	1091.6657
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95786	3.7
110.98425	3.0
120.33135	0.3
127.93858	0.3
130.89136	0.3
167.01012	1.9
185.02151	2.6
244.46111	0.3
244.48744	0.3
255.23280	100.0
256.23639	4.3
375.25394	0.3
423.25198	40.3
424.25699	1.6
766.56287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6643
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	1.3
82.51968	0.6
83.04902	2.4
83.62091	0.5
85.02860	0.8
89.02323	1.2
95.04899	0.8
96.95912	1.5
97.02832	1.6
97.06481	0.8
101.02328	2.2
109.06501	1.2
111.08046	11.6
125.09617	0.7
129.40640	0.6
153.09079	0.9
153.12770	1.3
161.04442	1.9
163.11226	3.4
165.12755	2.9
169.12254	5.7
171.10147	3.2
179.05554	0.7
181.12273	2.1
197.11771	62.7
198.12135	1.5
199.13298	2.7
200.15970	0.5
205.47333	0.6
209.11774	92.3
210.12111	2.6
211.13345	9.2
225.11171	1.1
227.12869	14.1
235.08189	4.7
245.19205	0.6
247.20618	2.2
253.09279	14.8
263.20218	3.3
265.18192	1.6
273.18762	1.1
291.19672	24.8
292.20041	1.5
307.19232	0.9
309.20712	100.0
310.21051	5.9
321.06168	0.7
433.20865	0.8
442.51041	0.7
445.20883	4.8
456.28671	0.7
527.28705	2.0
545.29559	4.9
693.63184	0.7
908.98035	0.7
962.11987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
75.16506	0.3
78.95930	0.3
85.02826	1.5
89.02319	1.2
95.01231	0.3
99.00742	0.4
101.02326	1.5
111.41867	0.2
113.02329	2.1
114.51765	0.3
117.03352	6.3
119.03364	0.3
125.02304	0.3
131.01265	1.2
134.77013	0.3
141.09087	0.5
153.09103	0.9
159.04396	0.4
161.02371	0.7
161.04483	0.6
163.03922	0.7
165.09181	0.4
173.02370	4.8
175.00298	6.7
189.01974	0.3
193.01466	0.3
193.06491	0.4
197.05974	0.3
207.13875	0.5
221.06097	0.3
225.14931	0.8
237.05615	0.3
243.06599	0.8
243.16014	3.7
249.05560	0.8
250.05772	0.3
261.64365	0.3
265.05011	0.6
269.04480	0.8
272.84167	0.3
281.04575	0.7
282.05502	0.6
283.06131	2.4
293.04568	100.0
294.04959	5.4
311.05630	5.9
312.05829	0.4
314.04303	0.5
323.05566	0.8
335.05533	0.7
341.06720	0.5
387.20300	9.6
388.20505	0.5
405.21350	1.4
413.08780	27.9
414.09140	1.8
447.22385	7.4
448.23187	0.3
448.79599	0.3
473.10757	1.0
593.15137	76.7
594.15521	6.3
688.93542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.683
Annotation	Unknow
Peak:m/z	Relative Intensity
84.70611	0.4
88.06843	0.3
96.95884	0.4
97.06441	0.4
116.92767	0.7
125.09633	2.7
139.11188	0.6
141.09093	1.8
141.12720	0.7
151.07558	0.4
153.09131	0.9
155.14319	1.5
157.12250	0.5
163.66212	0.3
171.10193	1.1
183.13824	0.7
197.11757	1.5
199.09673	0.5
200.10460	1.7
211.13353	7.5
221.19016	0.6
227.12910	0.4
235.08180	0.5
249.22240	1.8
253.09262	1.4
265.21768	1.3
267.23282	1.2
268.56650	0.4
275.20145	0.6
283.22726	0.5
291.19684	1.3
293.21219	8.2
309.20825	3.2
311.22275	100.0
312.22610	5.3
344.03165	1.0
447.22391	1.2
456.68729	0.4
679.82391	0.4
749.91693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
75.53375	0.6
76.79536	0.5
83.01276	1.9
85.02820	5.6
87.00760	1.9
89.02314	10.0
95.01283	1.3
97.02814	0.8
99.00761	14.9
101.02326	10.0
106.58692	0.7
111.00776	0.7
113.02333	10.0
114.68501	0.5
119.03364	3.2
121.02885	0.6
123.04406	0.7
125.02351	3.7
127.42619	0.6
131.03383	1.4
143.03394	1.6
149.04466	3.3
158.53363	0.6
159.02921	0.8
161.02391	1.1
161.04506	4.8
165.05505	0.7
179.05550	1.0
191.05563	5.1
203.05569	1.4
233.06631	0.8
256.38837	0.6
287.05695	0.9
297.04034	0.7
309.03943	1.5
320.42038	0.6
327.05154	2.3
329.13943	1.4
344.12579	0.8
357.06302	1.8
359.15021	1.6
361.16479	4.7
369.19067	1.3
371.20819	1.2
387.20377	1.6
389.21738	3.3
429.21082	2.7
430.21741	1.0
431.22855	7.2
432.23749	0.7
489.10532	1.2
503.18887	4.9
503.25327	5.2
504.25699	0.9
521.20642	1.0
521.26257	10.8
522.25891	1.2
538.97009	0.6
563.27173	100.0
564.27429	12.5
565.27850	5.5
609.14600	5.0
1016.10052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
86.02351	3.6
92.04928	1.3
96.95905	0.3
98.20535	0.4
100.00299	0.5
104.49839	0.3
112.00293	4.9
118.02907	0.4
123.04441	0.4
125.02324	0.8
125.37285	0.3
130.06532	0.5
131.03654	2.2
132.02084	1.5
132.04442	5.0
134.03636	11.9
135.04390	0.9
137.02341	0.7
144.04460	4.3
145.03993	0.7
146.06047	0.4
149.04842	0.5
149.05992	8.8
151.03918	0.6
155.05949	0.4
156.63022	0.3
157.07629	9.8
158.05998	2.3
160.01578	9.3
160.03897	0.3
161.02286	0.8
165.01788	0.5
172.02667	0.4
173.03383	0.7
173.07120	0.5
174.05548	0.4
175.03926	19.5
175.08759	0.5
177.01900	0.4
183.05563	0.8
192.06581	1.3
201.06648	2.8
202.05023	0.6
203.05768	1.2
204.06541	0.6
218.08218	2.3
219.07700	28.6
220.07999	0.6
239.05864	0.9
244.06123	0.6
245.05566	1.2
248.90605	0.4
250.05026	0.4
254.08060	0.9
262.07150	0.6
264.06628	2.6
264.09317	0.5
265.07349	1.3
266.07159	0.4
267.95184	0.3
279.11270	0.4
280.09821	2.9
281.09296	0.6
314.85071	0.3
323.10480	2.2
333.12463	0.5
336.10919	0.3
341.06564	0.4
351.13391	0.7
377.11478	0.7
395.12469	100.0
396.12872	4.0
442.98947	0.3
478.56717	0.4
613.15863	0.4
668.58783	0.3
690.08362	0.4
788.39709	0.3
1011.38098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
79.48457	0.1
83.01229	0.3
85.02812	0.4
89.02315	1.1
95.01261	0.3
101.02330	1.1
106.12775	0.1
109.02861	0.1
113.02354	0.7
117.03336	6.5
118.03675	0.2
119.03407	0.3
125.02351	0.2
127.86713	0.2
131.01288	1.4
135.04404	0.2
149.02338	0.2
159.04478	0.2
161.02264	0.5
161.04485	0.2
163.03940	0.8
173.02365	4.2
174.02800	0.1
175.00291	5.9
175.03804	0.2
176.00687	0.2
177.01959	0.2
185.02324	0.2
193.01318	0.4
194.47746	0.1
220.05426	0.2
221.06139	0.2
237.05554	0.4
239.07167	0.2
248.04950	0.2
249.05545	1.0
251.03528	0.3
265.05063	0.7
269.04550	1.0
275.03537	0.2
281.04544	0.9
282.05252	0.4
283.06073	2.3
293.04553	100.0
294.04901	6.3
295.05499	0.6
304.91888	0.2
307.05930	0.2
311.05606	6.0
312.06015	0.3
314.04150	0.5
319.76752	0.2
323.05524	0.9
335.05554	1.0
341.06674	0.5
353.06558	0.2
377.14722	0.2
413.08783	28.8
414.09167	1.9
431.22849	0.5
473.11099	1.2
593.15118	71.4
594.15387	6.1
595.15784	0.5
596.15869	0.4
737.09595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02802	1.7
91.85509	0.8
111.79005	0.8
113.02313	1.3
120.82986	0.8
133.02861	9.2
161.02361	0.9
163.00282	1.3
163.03915	1.7
165.01898	1.1
173.02399	1.7
175.00333	4.6
175.01598	0.8
175.03879	1.9
191.03484	1.4
191.05322	1.1
265.05063	1.1
267.02930	2.4
281.04599	1.0
284.03287	4.0
285.04102	4.4
297.04065	9.3
298.04761	6.7
299.05621	8.4
309.04047	63.0
310.04437	5.5
311.05518	2.6
327.05087	54.3
328.05466	3.9
339.05029	3.0
357.06180	21.6
358.06567	1.5
369.05862	1.6
393.33441	0.9
409.17108	1.8
429.08215	13.4
466.79810	0.9
489.10452	13.5
609.14618	100.0
610.14850	10.5
901.33862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00799	0.1
79.40857	0.1
79.64117	0.1
83.01264	1.6
83.04900	0.8
85.02849	0.8
89.02323	1.3
95.01230	0.3
98.19689	0.3
101.02322	5.0
113.02335	1.6
114.21343	0.1
117.03337	6.9
118.03679	0.1
119.03353	0.7
125.02325	0.4
131.01274	1.2
131.03404	0.4
135.04361	0.1
143.03387	0.5
145.02753	0.2
149.04462	1.4
155.03394	0.2
159.04436	0.2
161.02313	0.4
161.04460	2.0
163.03954	0.7
173.02368	4.8
174.02734	0.2
175.00287	6.7
185.02376	0.2
193.01353	0.3
193.06520	0.3
203.03452	0.2
203.05467	0.3
203.28342	0.1
205.12271	0.2
208.09544	0.1
220.05345	0.2
221.06531	1.6
233.31018	0.1
237.05576	0.4
239.07227	0.2
249.05571	1.2
251.03488	0.3
253.05028	0.2
254.05800	0.2
264.04205	0.2
265.04968	0.7
268.03778	0.2
269.04587	1.0
275.03531	0.2
281.04477	1.0
282.05304	0.5
283.06125	2.9
292.03732	0.2
293.04553	100.0
294.04907	4.3
295.02704	0.2
295.06036	0.5
300.78299	0.1
306.05530	0.2
307.06033	0.2
309.03867	0.2
311.05591	5.8
312.05975	0.2
314.04300	0.4
323.05511	1.0
333.07516	0.1
334.04929	0.2
335.05621	0.9
341.06573	0.3
353.06870	0.2
413.08768	27.2
414.09113	1.2
473.10916	0.9
541.71429	0.1
593.15112	59.2
594.15381	4.1
642.53717	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	1049.5817
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95780	5.3
80.96398	0.2
83.04895	0.2
104.97311	0.2
110.98422	3.5
112.37427	0.2
116.92754	0.2
133.16541	0.2
152.99512	0.5
167.01054	1.4
185.02139	4.2
227.20151	1.6
233.22693	0.5
259.20694	0.5
275.20111	0.4
277.21719	100.0
278.22083	4.4
290.39673	0.2
378.32544	0.2
395.21848	0.4
445.23605	48.6
446.23904	2.7
522.92212	0.2
579.28394	0.3
580.28711	0.4
581.28412	0.4
815.20209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85490	1.0
58.00457	1.0
58.55301	0.8
59.01250	27.7
62.06977	1.0
64.01785	1.7
65.01306	2.6
65.99723	1.0
71.56276	1.6
72.99178	98.1
73.99516	3.2
75.00744	49.2
76.01087	1.0
78.03356	1.1
89.82552	0.9
103.00244	2.0
105.01816	100.0
105.04469	6.2
106.02165	3.6
106.04008	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	1046.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02346	12.5
81.04458	0.7
82.02871	1.8
84.04418	1.0
85.03922	0.6
86.02354	5.3
86.06000	1.1
86.98972	1.5
87.05508	2.4
88.03910	0.6
90.00065	0.9
97.03963	1.6
99.05527	9.5
100.00297	0.7
100.03890	0.4
101.07096	1.8
102.05489	1.9
104.34258	0.4
107.06011	0.9
109.03980	2.6
109.07589	0.7
111.05527	1.3
112.03901	1.0
116.01663	0.9
118.75237	0.4
123.05561	0.9
125.03439	1.6
126.01889	0.5
127.05035	2.1
128.03432	31.3
129.03781	0.4
135.05527	4.0
137.07121	0.8
141.06592	2.4
143.04526	41.0
144.04883	0.6
145.06111	1.8
146.04486	3.5
149.07147	0.4
153.06612	3.5
155.08139	0.8
160.00641	11.2
166.09805	2.3
167.04553	2.5
167.08171	1.6
170.03207	0.9
171.03992	0.5
171.07660	1.3
177.03314	3.5
179.04538	9.5
181.06093	1.1
184.10829	0.9
185.05577	1.5
192.07686	1.0
197.05630	1.4
198.08801	0.5
210.08781	9.3
225.11374	0.4
228.09862	1.0
242.07816	0.7
244.09326	0.8
254.07811	11.7
255.08122	0.5
272.08881	21.8
273.09265	0.7
288.06674	6.6
289.07162	0.4
304.06207	1.8
305.08707	0.4
306.07654	100.0
307.07919	3.4
314.08023	0.5
332.09216	5.4
942.77100	0.4
1046.52563	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	1046.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
74.01926	0.7
74.02344	11.2
81.04448	0.9
82.02875	1.5
86.02349	4.6
86.06000	0.7
86.98988	1.6
87.05524	3.2
88.03889	0.6
90.00064	1.3
94.63580	0.4
97.03978	1.5
99.05518	10.0
101.07088	1.4
102.05504	1.7
107.06044	0.6
109.03974	2.8
109.07632	0.5
111.05519	1.2
112.03902	0.8
116.01624	0.6
119.37833	0.5
123.05536	0.9
124.03895	1.1
125.03458	1.6
127.05029	2.2
128.03433	33.2
129.99652	0.5
135.05550	3.7
137.07079	0.8
141.06609	2.7
141.20627	0.5
143.04526	40.9
145.06108	2.1
146.04486	3.9
153.06596	3.2
153.81180	0.5
160.00668	9.6
166.09737	2.2
167.04550	2.8
167.08145	1.9
170.03281	0.7
171.07703	1.3
177.03346	3.5
179.04539	9.1
181.06067	0.9
185.05579	2.0
192.07758	0.5
197.05655	1.4
205.46968	0.5
210.08772	9.1
222.17667	0.5
229.83881	0.6
254.07806	11.0
272.08871	22.6
273.09128	0.9
277.21735	0.7
288.06598	6.2
289.06744	0.6
304.06100	1.1
305.08408	0.6
306.07648	100.0
307.08035	3.7
311.22269	0.9
332.09216	6.0
342.12115	0.6
657.17352	0.5
680.80310	0.7
866.23181	0.5
902.14581	0.8
1046.51282	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	1037.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
79.58178	1.0
81.03332	2.5
84.64802	1.1
95.04935	1.2
108.02000	1.0
109.02842	3.7
121.02880	1.6
123.00779	1.3
123.04402	16.5
124.01519	1.4
125.02331	20.0
133.02853	1.8
137.02336	30.2
139.03880	1.3
146.99767	1.1
149.02356	1.3
151.03920	37.8
152.04710	25.5
161.02356	5.6
161.05972	1.4
164.00932	1.6
165.01842	1.2
167.07036	5.4
167.18031	0.9
175.03917	2.7
177.01875	3.2
178.02687	1.9
187.03923	2.0
193.04987	3.3
195.02934	6.9
196.03697	63.5
197.04123	2.1
203.07059	2.3
205.04958	2.3
211.06047	23.3
212.06348	1.0
230.56953	1.2
232.27376	1.0
243.02837	1.5
245.04585	1.7
245.08116	3.5
255.03027	3.2
281.04877	0.9
285.04007	1.2
287.05573	2.7
288.05838	1.1
289.07153	13.5
299.05643	1.9
373.11594	1.2
385.07047	1.0
400.10083	8.9
407.02899	1.4
407.07822	18.2
408.07898	1.2
415.12466	100.0
416.12744	7.8
416.83218	1.2
425.08813	15.8
451.10248	3.6
459.11115	1.9
559.12604	1.2
577.13617	11.4
578.14252	1.8
723.60950	1.2
957.00256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02820	0.8
78.93901	0.2
80.02538	0.7
81.03349	0.3
83.04413	0.3
83.04895	1.2
83.21619	0.2
84.02048	0.4
84.67118	0.2
85.02840	0.9
87.00732	0.3
87.04405	0.7
89.02316	0.6
93.03306	0.3
97.06477	1.8
98.03605	0.4
101.02333	0.7
107.04890	0.3
109.02781	0.3
109.06473	0.4
110.03622	0.5
111.08044	8.7
113.02354	0.5
118.14413	0.2
119.04961	0.3
121.02867	0.4
123.04399	0.4
123.08067	2.2
125.02334	0.6
125.05946	0.9
125.09620	15.2
126.10017	0.3
127.11179	6.1
127.12119	0.4
135.08066	1.2
136.05165	0.2
137.02342	0.3
137.09627	5.4
139.11200	1.3
141.09082	1.9
141.12766	0.3
149.09645	0.6
151.07535	0.6
151.11201	2.9
153.09149	2.7
155.10710	3.2
157.12189	0.4
163.11171	0.2
164.08371	1.4
165.09137	2.2
165.12775	0.4
167.10684	1.1
169.04663	0.3
169.08606	0.6
169.12263	0.7
171.10182	9.0
172.10516	0.3
177.09181	1.2
177.12787	0.5
183.10162	0.8
183.61061	0.2
185.11687	0.3
187.09648	0.7
191.10759	0.3
191.14308	0.6
195.10196	3.2
199.09686	1.7
199.13318	0.6
201.11259	40.2
202.11661	0.8
209.11827	0.9
211.13354	0.4
213.11273	29.5
214.11615	1.0
227.12878	1.2
232.10892	0.3
245.19043	1.7
250.12105	0.7
252.13824	0.3
255.16031	0.5
263.20230	0.7
271.17087	0.3
279.19681	0.3
289.18094	14.1
290.18515	0.5
307.19150	28.6
308.19412	1.1
325.20193	100.0
326.20560	4.2
326.24277	0.2
397.13400	1.7
415.14670	1.2
607.25830	0.4
705.33295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.565
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	40.3
71.59191	1.8
72.99198	2.5
73.02816	5.5
81.03337	2.7
83.01286	1.8
83.04910	2.8
85.02831	5.9
87.00749	5.6
89.02312	18.9
89.15452	1.2
95.01292	1.6
97.02827	12.0
97.06460	3.2
99.00744	2.6
101.02324	20.8
109.06478	27.4
113.02335	10.6
119.03403	5.4
120.67084	1.5
121.06463	2.5
123.04497	2.0
123.08057	1.9
125.02367	8.4
125.09583	2.8
135.08054	3.4
136.05273	1.6
142.02635	2.9
143.03392	5.0
153.09126	4.4
155.10718	1.7
158.56512	1.6
161.04482	5.6
163.11186	13.2
171.10196	3.4
179.05525	4.3
181.12283	4.6
199.09708	15.0
207.10213	34.6
208.10664	1.3
209.11838	1.8
211.13390	2.8
221.06688	1.6
225.11266	13.3
235.08180	10.1
243.12411	2.8
253.09184	2.3
263.07608	1.9
277.21725	63.0
278.22064	5.1
287.07678	3.0
305.08728	3.6
323.09689	1.6
327.21680	2.1
341.10944	6.4
353.69919	1.6
397.13507	100.0
398.13806	5.6
415.14551	34.2
416.15048	2.3
455.63403	1.7
495.08124	1.4
523.41058	1.7
675.35846	3.7
972.45819	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	1027.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	3.2
83.01263	6.0
89.03870	3.1
93.03355	4.6
98.42015	2.0
101.68536	2.0
109.02844	23.2
112.48809	2.1
113.23959	2.3
121.02819	2.1
123.04419	8.5
125.02338	96.8
126.02654	2.4
133.02855	16.2
135.04401	3.2
137.02373	17.9
146.45123	2.2
149.02370	5.2
150.03165	3.1
151.03882	11.2
159.04422	3.0
161.02338	48.9
161.06081	3.5
163.00250	3.7
163.03943	3.7
164.01042	9.0
165.01826	8.5
167.03438	4.3
175.03918	9.0
176.01001	3.3
177.01851	100.0
177.05518	3.0
178.02170	3.2
179.03386	5.5
187.03969	5.4
189.01822	12.4
199.03854	2.8
201.01845	4.0
201.05571	4.6
203.03452	7.8
203.07013	5.0
211.03810	4.3
215.03398	4.7
216.00644	5.6
217.01387	4.8
225.05460	3.2
227.03406	15.2
228.04068	2.4
229.01431	15.7
229.04881	4.8
231.02809	2.9
239.09286	2.4
243.02936	5.6
245.04567	15.7
245.08189	6.5
255.02966	8.8
257.04596	3.2
269.04562	22.5
271.02570	3.8
273.04105	3.4
283.02560	4.0
285.04019	5.0
287.05646	34.4
289.07156	22.2
293.04648	4.1
295.02585	8.0
295.05957	3.2
297.04245	4.3
299.05640	6.4
313.03506	7.6
321.03973	5.7
337.03546	2.4
337.07233	5.3
339.05078	30.1
339.08774	3.1
341.06558	6.6
379.08206	4.3
383.07617	3.4
405.06100	13.3
407.07825	27.0
423.07126	18.9
425.08823	10.2
447.07309	2.8
449.08847	25.1
451.10117	11.7
459.06757	2.4
463.06613	2.3
470.79062	2.6
491.09271	2.4
543.09613	3.2
557.10815	3.8
567.09509	3.0
575.11932	34.3
577.13647	16.7
585.10400	8.2
614.10742	6.2
615.11609	4.6
653.82782	2.7
695.14734	5.8
705.12708	6.0
737.15137	22.9
738.15070	4.8
768.02002	2.3
857.17493	5.9
875.18365	8.3
1003.70929	2.5
1027.22144	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	1027.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	3.2
83.01263	6.0
89.03870	3.1
93.03355	4.6
98.42015	2.0
101.68536	2.0
109.02844	23.2
112.48809	2.1
113.23959	2.3
121.02819	2.1
123.04419	8.5
125.02338	96.8
126.02654	2.4
133.02855	16.2
135.04401	3.2
137.02373	17.9
146.45123	2.2
149.02370	5.2
150.03165	3.1
151.03882	11.2
159.04422	3.0
161.02338	48.9
161.06081	3.5
163.00250	3.7
163.03943	3.7
164.01042	9.0
165.01826	8.5
167.03438	4.3
175.03918	9.0
176.01001	3.3
177.01851	100.0
177.05518	3.0
178.02170	3.2
179.03386	5.5
187.03969	5.4
189.01822	12.4
199.03854	2.8
201.01845	4.0
201.05571	4.6
203.03452	7.8
203.07013	5.0
211.03810	4.3
215.03398	4.7
216.00644	5.6
217.01387	4.8
225.05460	3.2
227.03406	15.2
228.04068	2.4
229.01431	15.7
229.04881	4.8
231.02809	2.9
239.09286	2.4
243.02936	5.6
245.04567	15.7
245.08189	6.5
255.02966	8.8
257.04596	3.2
269.04562	22.5
271.02570	3.8
273.04105	3.4
283.02560	4.0
285.04019	5.0
287.05646	34.4
289.07156	22.2
293.04648	4.1
295.02585	8.0
295.05957	3.2
297.04245	4.3
299.05640	6.4
313.03506	7.6
321.03973	5.7
337.03546	2.4
337.07233	5.3
339.05078	30.1
339.08774	3.1
341.06558	6.6
379.08206	4.3
383.07617	3.4
405.06100	13.3
407.07825	27.0
423.07126	18.9
425.08823	10.2
447.07309	2.8
449.08847	25.1
451.10117	11.7
459.06757	2.4
463.06613	2.3
470.79062	2.6
491.09271	2.4
543.09613	3.2
557.10815	3.8
567.09509	3.0
575.11932	34.3
577.13647	16.7
585.10400	8.2
614.10742	6.2
615.11609	4.6
653.82782	2.7
695.14734	5.8
705.12708	6.0
737.15137	22.9
738.15070	4.8
768.02002	2.3
857.17493	5.9
875.18365	8.3
1003.70929	2.5
1027.22144	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	1011.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15951	3.1
71.01258	0.7
81.03353	3.8
83.01260	7.6
88.98691	1.0
93.03343	3.6
95.01252	1.3
95.04905	4.3
97.02836	10.6
99.32185	0.6
107.04890	0.9
108.02077	1.1
109.02841	29.4
117.03362	0.9
121.02848	5.3
122.03623	1.5
123.04415	20.4
125.02349	24.2
133.02872	1.9
135.04424	4.5
137.02345	22.5
138.03033	0.9
139.03943	6.6
145.02866	1.9
146.03641	2.4
147.04509	0.9
148.01634	0.8
149.02353	6.9
150.03110	2.1
151.03917	13.4
158.03677	0.7
159.04454	5.4
160.05196	2.0
161.02350	6.2
161.05998	10.3
162.03113	3.2
163.00310	2.8
163.03905	2.4
164.01070	6.5
165.01872	8.0
165.05554	1.2
167.03404	2.8
173.06017	1.8
174.03096	1.6
175.03995	4.1
175.07623	3.1
176.01039	1.2
177.01884	3.6
177.05505	1.7
179.03429	9.8
180.03752	0.6
185.06073	1.6
187.03943	8.6
188.04721	6.7
199.07596	1.2
201.05508	1.6
202.06274	3.3
203.03484	1.3
203.07083	23.9
204.07397	0.9
205.05013	14.7
207.10164	0.8
212.04805	1.4
217.05168	0.7
217.08682	1.4
221.08038	3.9
223.13416	2.6
225.11226	1.0
227.07127	3.6
229.05014	1.1
230.05783	1.5
231.02910	1.6
245.08171	27.1
246.08525	0.9
247.06140	2.4
265.14465	1.2
271.06210	1.6
277.21713	2.8
289.07196	100.0
290.07510	5.1
291.12387	1.0
436.74191	0.8
710.52423	0.8
805.43890	1.1
859.44916	5.4
860.43127	0.9
927.80487	1.0
967.47363	1.4
993.48767	6.8
994.49829	1.0
1011.49640	76.9
1012.50104	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	1011.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02816	2.4
70.03223	4.3
81.03330	4.7
83.01254	9.0
83.97150	1.1
88.98671	3.6
92.92664	3.3
93.03320	4.0
95.01241	2.0
95.04886	5.9
97.02828	11.5
105.03306	1.3
107.04923	1.6
108.02052	1.6
109.02141	2.1
109.02846	32.7
121.02833	5.7
122.03577	1.2
123.04421	22.0
125.02349	25.5
133.02844	1.2
134.23885	1.4
135.04393	3.5
137.02345	26.5
137.03358	0.9
139.03900	7.1
145.02882	1.7
146.03598	4.1
147.04385	2.4
149.02361	7.9
150.03174	1.6
151.03943	13.3
157.06532	1.5
159.04402	4.8
160.05159	3.8
161.02330	6.2
161.06012	11.9
162.03096	4.3
163.00336	3.5
163.03868	1.2
163.11497	1.2
164.01013	7.7
165.01866	8.0
167.03423	5.1
171.10129	1.4
175.03911	6.4
175.07565	3.4
177.01823	3.6
177.05400	1.7
179.03448	8.1
185.05969	1.9
187.03934	8.2
188.04691	6.6
191.15196	1.2
201.05420	1.4
202.06284	3.5
203.03406	2.9
203.07094	21.6
205.01390	1.6
205.05023	17.3
212.04750	2.0
221.08215	3.5
223.13336	3.5
227.07155	3.0
230.05843	1.8
245.08153	29.6
247.06093	2.1
255.23239	1.9
271.06113	2.4
277.21686	5.1
289.07184	100.0
290.07431	3.7
312.42957	1.2
329.84167	1.3
389.88858	1.2
588.36560	1.4
805.44171	1.5
859.44946	5.4
993.48871	6.1
1011.49585	74.5
1012.49896	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	1011.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	38.5
71.04900	1.3
73.02818	11.6
78.44273	1.2
83.01257	4.1
85.02825	17.8
87.00744	1.7
89.02315	12.4
90.10793	1.3
95.01266	5.4
97.02853	2.1
98.03609	2.3
99.00761	5.0
99.04385	3.1
101.02325	17.5
107.67361	1.1
109.06471	1.6
111.00745	1.4
113.02331	27.6
119.03387	2.6
123.08074	2.6
125.02329	3.6
137.09612	3.0
138.06732	3.6
141.09114	6.5
143.03366	1.8
151.11183	1.7
153.09120	10.9
155.10611	1.2
159.02971	1.1
161.04471	9.3
163.11217	1.7
165.09155	6.9
181.12184	1.5
189.12801	1.9
190.98503	1.2
191.54399	1.1
195.13831	2.0
207.13776	7.3
223.13313	2.2
225.14893	21.5
241.14415	2.7
243.06586	1.8
243.15999	47.9
244.16252	3.6
341.32022	1.4
363.12650	1.1
387.20248	100.0
388.20602	6.2
405.21320	16.8
431.18762	1.2
447.22348	90.4
448.22739	8.6
490.23956	1.2
519.24469	21.7
520.24707	2.3
1049.29480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	20.5
57.03326	48.0
59.01236	27.0
59.10932	5.7
61.41203	6.0
68.99695	8.3
71.01267	34.4
71.57454	7.5
71.57919	6.4
71.84464	6.0
73.02820	38.1
77.54578	6.2
84.04408	20.1
96.03542	6.1
100.94482	19.1
100.95892	9.5
101.02331	54.9
101.05965	10.1
102.05488	100.0
102.50702	6.2
112.19334	6.3
115.91959	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	1003.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65044	5.9
69.65463	9.9
71.01259	20.5
72.99214	2.2
73.02850	2.3
80.02554	6.1
81.03323	5.7
83.04899	12.8
84.02042	4.7
85.02831	5.4
87.00764	5.1
89.02324	17.4
95.04927	2.4
97.02824	4.9
97.06474	3.8
98.81670	2.1
99.08051	2.7
101.02326	19.1
113.02322	8.2
119.03410	6.3
119.08559	2.3
121.40289	2.2
123.04385	2.9
125.02341	8.1
125.09608	7.9
127.11170	2.2
137.09631	56.7
138.09949	4.1
139.11163	2.2
143.03384	3.2
151.11177	4.4
153.09122	4.8
155.10695	31.9
161.04442	4.7
163.11104	2.1
167.10709	2.2
171.10199	70.5
179.05530	4.2
185.11775	3.4
193.12318	12.8
209.11874	4.4
211.13359	5.2
235.08220	11.1
245.06566	2.9
245.36343	2.2
246.80971	2.2
247.20613	7.0
263.07574	2.4
263.20224	2.1
265.21790	3.1
277.21744	56.5
278.22052	4.9
281.20911	2.0
287.07748	2.8
291.19699	53.8
292.20038	3.0
305.08765	5.2
309.20786	20.0
327.21848	11.4
348.22452	2.2
397.13492	100.0
398.13828	7.8
415.14517	34.1
537.78003	2.3
675.36102	3.6
1024.24634	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	1001.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	16.0
71.58931	1.7
72.22704	1.4
73.02831	2.1
77.69299	1.3
78.95770	2.8
83.01268	1.8
85.02833	5.7
87.00763	2.0
89.02322	14.7
95.01247	1.5
96.95891	31.1
96.96829	2.5
97.02833	3.6
101.02323	10.0
111.08040	5.3
113.02351	5.5
115.01782	1.2
119.03362	3.2
121.24841	1.3
125.02310	6.3
129.09111	1.9
151.11174	1.6
161.04468	2.9
169.12241	5.6
171.10158	3.8
179.05524	4.4
181.12294	4.6
183.13733	1.6
197.11771	43.9
198.12070	1.8
199.13304	4.8
211.13359	19.6
227.12901	1.4
235.08191	2.8
243.81810	1.7
247.20732	1.6
253.09160	1.8
263.20178	1.4
265.18045	1.8
277.21561	1.6
283.11594	1.7
291.19684	18.9
293.21262	14.1
294.55545	1.4
305.08801	1.6
309.20734	65.2
310.21011	3.8
311.22278	100.0
312.22559	5.3
343.21234	2.1
397.08420	1.9
397.13516	30.4
415.14557	21.3
418.28809	1.5
419.53174	1.5
603.42725	3.3
657.98932	1.4
707.34644	2.6
709.36993	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	21.7
69.07066	5.6
71.01338	2.9
71.04994	3.9
71.59070	1.5
73.02914	18.4
75.04474	1.6
78.98845	0.8
79.05492	15.6
81.03411	15.3
81.06583	1.5
81.07050	23.0
83.04963	4.1
83.08595	2.6
85.02902	100.0
87.04459	2.6
91.03953	52.7
91.05470	11.0
93.07044	18.0
95.04958	5.9
95.08610	16.6
97.02886	70.2
97.06520	2.4
97.10152	1.9
99.03909	1.3
99.04450	12.2
100.56821	1.0
101.02363	3.9
101.91833	0.9
103.03928	10.7
105.07031	9.1
107.04921	0.9
107.08591	11.6
107.43553	0.9
107.54899	0.9
109.02870	11.1
109.06511	2.1
109.10155	9.2
111.04435	4.0
115.03924	6.9
117.05516	2.0
117.07018	3.8
119.08572	8.5
121.06493	1.3
121.10144	8.1
123.11696	3.6
125.09651	1.4
127.03913	37.4
129.05470	4.3
129.06950	2.2
131.08556	7.7
133.06480	0.9
133.10126	7.5
135.08101	1.2
135.11671	6.8
137.05914	1.2
137.09572	1.5
137.13196	1.0
143.08574	2.0
145.04959	35.7
145.10101	6.6
147.11694	5.9
149.09639	2.1
149.13257	4.3
155.08556	1.5
157.10098	3.0
159.06522	2.5
159.07869	1.2
159.11697	5.3
161.09442	0.9
161.13210	3.6
163.06013	33.8
163.11259	1.0
163.14822	1.8
167.08633	1.1
169.04926	1.2
169.10133	1.9
171.07942	1.1
171.11667	1.7
173.04446	1.5
173.09731	1.0
173.13200	4.9
175.14830	1.9
183.06526	5.9
183.11661	1.1
185.13197	2.0
187.14758	2.3
197.13182	1.2
199.14816	1.8
201.07582	4.9
211.14822	1.3
220.73085	1.0
223.14853	0.9
233.22560	1.0
241.19505	1.4
243.21069	5.2
259.20523	1.9
261.22107	13.9
283.20499	1.3
285.22266	1.4
301.21558	1.4
303.23053	2.1
309.22455	1.1
315.23065	2.8
317.24750	1.1
327.23172	2.5
335.25781	41.5
341.24597	2.2
345.24057	2.5
351.23123	3.2
353.26794	1.7
363.25232	4.0
369.24304	4.8
377.26819	4.2
387.25507	1.7
389.26810	1.8
405.26276	2.4
419.27740	2.9
443.28064	6.6
443.33527	1.6
455.41788	1.0
461.29279	5.5
479.30081	9.9
497.31128	4.6
513.33484	1.0
733.00641	1.1
751.43475	1.0
780.16876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59738	1.5
77.27624	0.9
79.05495	5.1
87.04489	5.3
89.06026	31.4
91.05463	2.6
95.04961	2.6
98.71849	0.9
103.05466	4.3
105.07027	100.0
106.07344	1.3
107.07069	1.8
117.09090	0.9
119.08578	1.0
121.06490	2.1
130.08592	1.5
131.07040	2.3
131.08583	7.1
133.08598	23.4
133.10110	1.2
141.50725	0.9
147.08035	1.5
158.10242	0.8
175.09637	1.2
177.11238	8.7
178.36542	0.8
187.22316	0.9
191.71188	0.9
221.13881	0.9
223.11299	1.1
224.96489	0.8
225.12724	5.8
239.14728	0.9
246.11200	0.8
251.14337	10.7
253.15837	3.0
269.15372	1.7
313.17642	1.0
327.17322	1.7
329.18909	10.0
373.21399	4.3
477.27814	3.5
484.26727	0.9
512.23547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.2
65.80657	1.8
67.05503	65.9
68.05822	1.9
68.62512	1.7
68.83830	2.0
69.03430	5.0
69.07078	16.2
69.84721	13.8
71.04978	4.2
79.05486	45.7
79.22812	1.9
81.03414	76.8
81.07057	61.7
83.04979	7.1
83.08620	21.6
84.01266	2.0
84.17574	1.9
85.02900	8.8
85.06541	2.5
89.06006	3.5
91.03960	5.3
91.05473	35.0
93.07045	47.1
95.01349	2.3
95.04967	28.2
95.08598	48.1
97.02885	6.8
97.06512	5.3
97.10134	9.4
104.80671	1.8
105.07023	30.5
107.04941	9.0
107.08586	26.6
109.06514	4.9
109.10157	26.4
111.04444	2.3
111.08071	5.3
115.05437	2.9
117.07020	8.4
119.04973	3.3
119.08582	23.0
121.06512	6.0
121.10143	28.6
123.04424	4.3
123.11684	10.6
125.09614	5.4
126.50779	1.9
129.07004	10.4
131.08563	19.3
133.06451	1.9
133.10123	15.2
135.11702	14.2
136.74138	2.5
137.09674	2.8
137.13232	2.9
142.07796	2.4
143.08632	2.9
145.04915	2.9
145.10126	15.6
147.08061	5.6
147.11653	16.0
149.09642	3.6
149.13254	5.8
157.10106	11.6
159.11722	9.5
161.13242	7.3
163.06026	5.6
163.11145	3.0
163.14861	4.6
171.11607	2.8
173.13261	7.4
175.11206	7.8
175.14867	2.8
180.85475	2.1
185.13329	3.4
187.14902	4.4
189.11200	3.9
193.12256	21.0
197.13327	2.2
201.16440	2.6
227.12791	6.8
229.14317	2.9
235.13199	3.6
243.21103	5.0
249.14917	4.1
259.13324	4.0
261.22159	24.2
267.15906	84.4
273.14990	2.4
301.14145	2.0
301.25220	8.5
309.17004	4.7
317.24799	3.4
335.25800	100.0
337.27332	2.3
417.31470	2.8
421.25732	6.8
435.32465	5.6
453.33295	5.9
471.34854	3.5
527.37341	69.3
545.38385	55.5
546.38647	2.6
569.38214	10.3
611.38904	2.4
635.39557	5.3
653.40247	3.4
671.41968	3.5
687.34314	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	6.2
69.03419	0.6
69.07076	4.7
71.08629	12.6
71.59505	0.7
73.02916	0.5
74.13325	0.4
79.05486	1.4
81.07050	8.8
83.08614	4.9
85.02878	1.7
85.10182	6.2
89.06034	1.0
89.19485	0.5
90.67154	0.5
91.03951	0.7
91.05480	0.7
93.07049	1.2
95.08611	10.2
96.26266	0.4
97.02878	0.6
97.10170	2.0
98.98462	3.1
99.11743	0.5
103.07574	0.7
105.07028	1.0
106.37301	0.5
107.08569	0.7
109.02903	0.5
109.10159	4.6
113.00002	1.9
119.08588	0.8
121.10129	0.7
123.11690	1.9
123.24627	0.5
129.34727	0.5
131.08560	0.4
133.10115	0.6
135.11642	0.6
137.13268	1.0
143.08575	0.6
147.11694	0.6
155.01044	1.3
159.11682	0.5
169.02596	2.3
171.11725	0.8
179.48814	0.4
181.10074	0.4
211.14940	0.8
215.08937	0.5
239.23648	1.4
249.27150	0.5
257.24872	2.3
313.27359	100.0
314.27771	2.8
337.27325	6.7
364.20593	0.6
381.09042	0.5
432.54819	0.6
449.26691	2.2
591.42352	0.6
609.45001	5.9
694.44489	0.6
771.49890	1.7
854.74567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.3
67.05504	60.9
69.03443	2.2
69.07074	13.9
69.91679	5.0
71.04594	1.3
71.04988	16.3
71.08623	1.4
71.60580	0.9
73.02906	2.2
79.05491	19.0
81.03425	2.5
81.07054	92.3
83.04989	4.3
83.08614	9.6
83.47566	0.9
85.02901	7.5
85.06554	7.3
91.03967	4.8
91.05481	17.6
92.24827	0.9
93.07038	18.4
95.04956	2.0
95.08604	31.2
96.74641	0.9
97.02904	4.4
97.06522	4.2
97.10165	3.6
98.21452	1.2
99.08092	1.1
102.87353	0.9
105.07024	11.0
107.08591	13.2
109.06496	1.9
109.10158	14.3
111.08065	1.9
115.03871	0.9
116.31870	0.9
117.07073	1.1
118.52847	1.1
119.08582	5.3
121.10166	6.7
123.11709	14.1
125.09611	1.4
127.03876	2.7
131.08556	2.9
133.10135	13.9
135.11694	5.0
137.13226	1.8
145.04915	2.2
147.11678	2.5
149.13229	4.2
151.11200	6.7
159.11691	3.3
161.13246	2.3
163.06026	1.4
163.14777	1.0
169.12251	1.4
173.04610	1.0
175.14821	1.1
177.12772	2.1
183.13779	2.1
187.13281	2.2
194.10678	1.1
195.13768	1.6
227.16374	1.1
243.39359	1.1
245.22218	1.4
263.23712	2.0
269.17444	4.1
301.20117	11.3
337.27338	22.7
348.36331	1.1
394.11880	0.9
487.37488	2.0
505.38882	70.3
506.39188	3.3
513.38525	1.4
519.40277	2.6
523.40326	1.1
531.40417	13.2
549.42102	1.1
563.43054	100.0
564.43353	4.5
667.43689	1.0
707.47870	1.2
897.40680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.2
67.05505	45.5
69.03424	2.1
69.07069	8.3
69.31610	6.1
71.04594	0.9
71.04988	13.6
73.02909	2.6
73.06549	0.6
77.03904	1.0
79.05491	26.5
81.03410	1.7
81.07055	68.4
83.04961	3.3
83.08606	7.0
85.02900	7.9
85.06549	6.4
91.03962	3.9
91.05478	18.6
93.07043	28.3
95.04968	3.1
95.08604	20.2
95.09226	0.7
97.02905	4.0
97.06513	3.3
97.10173	1.5
99.08070	0.7
105.04518	0.7
105.07028	11.5
106.07362	0.7
107.04967	0.7
107.08595	15.8
107.39342	0.5
109.06528	1.5
109.10161	10.8
111.08073	1.7
111.61843	0.5
117.06997	4.2
118.13339	0.6
119.08572	7.6
121.10140	12.2
123.08042	0.8
123.11710	11.0
127.03906	2.3
131.08553	6.9
133.10133	13.0
135.11678	5.9
139.11197	0.7
145.04982	2.6
145.10121	3.9
147.11676	4.0
149.13229	6.1
151.11192	5.3
153.12706	1.0
157.10162	0.8
159.11719	5.5
161.13278	2.4
161.60840	0.8
163.06088	2.0
163.11159	0.6
163.14847	1.1
169.12219	1.2
173.04427	1.0
173.13216	3.1
175.14839	1.1
177.12769	1.7
178.81325	0.6
183.13828	1.7
187.13327	3.1
187.14854	1.4
195.13869	1.6
201.14717	0.8
227.16452	1.1
257.17264	0.7
261.22107	2.7
269.17444	3.5
283.19254	0.9
292.59851	0.7
301.20105	11.4
309.81967	0.7
317.24777	1.0
335.25790	22.5
336.26208	1.2
411.32880	0.9
437.34167	1.2
445.24341	0.9
485.36478	1.1
503.37305	72.7
504.37610	4.2
511.38187	0.8
517.38904	3.0
529.38898	13.6
561.41498	100.0
562.42078	6.7
583.34558	0.8
705.45502	2.6
744.62665	0.7
903.83600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5763
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	5.7
67.05503	87.0
69.03428	62.3
69.07066	17.9
71.01350	1.5
71.04984	13.3
71.58662	1.5
73.02892	5.0
73.21217	1.2
79.05492	63.1
81.03415	100.0
81.07055	93.9
83.04960	5.9
83.08620	7.7
85.02898	25.6
85.06528	3.7
87.04467	3.4
91.03934	3.1
91.05476	42.7
93.07041	66.0
95.04969	11.6
95.08604	80.3
97.02891	36.1
97.06522	3.7
97.10163	5.6
99.04451	31.7
100.60454	1.6
101.02375	4.0
103.03945	5.4
103.05521	2.0
105.07027	28.7
105.07688	2.6
107.04945	4.0
107.08589	40.2
109.02870	29.1
109.06517	4.2
109.09454	3.0
109.10152	37.0
111.04422	5.0
111.08026	1.9
115.03918	2.3
117.07013	15.8
117.23164	1.5
119.08575	24.7
121.06525	3.6
121.10138	32.8
123.04453	3.0
123.08054	4.2
123.11719	14.8
124.00229	1.5
125.09624	2.0
127.03915	79.8
129.05489	3.5
129.06978	4.4
131.08565	26.1
133.06416	2.3
133.10130	19.1
135.07990	1.6
135.11682	32.5
137.13231	6.0
139.11105	1.8
141.07004	1.7
143.08548	4.0
145.04993	4.6
145.10130	21.7
147.11671	17.8
149.09596	1.5
149.13245	20.0
151.03960	3.6
151.11183	2.0
155.08511	1.7
157.10141	3.6
159.11670	18.2
161.13245	12.3
163.11226	1.8
163.14798	9.9
165.05440	2.2
165.12720	2.7
169.10143	2.9
171.11646	4.7
173.04449	50.5
173.13235	13.2
175.11221	2.1
175.14838	4.8
177.16374	3.9
183.06552	2.3
183.11674	2.1
185.13235	3.1
187.14806	8.8
189.16437	1.9
190.17058	1.6
191.05449	2.0
193.12186	1.8
201.16367	3.1
205.15863	2.2
215.17877	1.7
230.51126	1.5
233.22557	2.1
243.21118	14.0
250.98740	1.5
253.07069	2.1
259.20621	4.3
261.22141	60.4
277.21667	3.8
279.23206	4.9
289.21643	3.5
303.23004	2.3
335.25763	51.9
341.24664	2.8
353.26816	4.0
363.21350	2.5
363.25378	20.0
369.24103	5.6
381.33698	1.5
387.25183	2.6
405.26434	6.0
934.17871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	2.7
67.05504	69.9
68.05846	1.4
69.03425	3.0
69.07064	12.5
69.91423	5.6
71.04993	22.1
73.02907	3.8
79.05490	38.2
80.33362	1.0
81.03408	2.2
81.07053	100.0
83.04977	5.4
83.08602	10.5
85.02902	12.3
85.06540	9.5
86.04646	1.2
91.03944	6.6
91.05477	33.5
93.07040	40.1
93.07630	1.9
94.07396	1.3
94.51588	1.1
95.04961	5.3
95.08606	30.5
97.02882	7.6
97.06519	5.9
97.10175	1.3
99.08058	1.3
103.03991	0.9
105.07024	20.0
107.08588	25.1
109.02831	1.4
109.06527	2.8
109.10143	16.7
111.08083	2.7
117.07030	6.3
119.08580	10.4
121.10130	17.0
123.11700	11.3
125.09642	2.5
127.03913	3.6
129.07045	2.1
131.08559	10.7
133.10107	18.0
135.11673	9.9
143.08609	1.8
145.04977	1.8
145.10106	5.9
147.11627	6.2
149.13268	7.1
151.11203	7.6
157.10173	2.0
159.11653	9.3
161.13248	3.3
163.05902	2.1
163.14850	1.2
165.12697	1.3
168.02263	1.0
169.12251	1.5
171.11685	2.1
173.13251	3.2
177.12671	2.2
183.13875	3.2
185.13336	1.8
187.13351	4.9
187.14830	1.8
195.13818	1.4
227.16374	2.4
241.09023	1.0
243.15952	1.6
244.31992	1.0
249.01122	1.2
253.18135	1.7
257.17554	1.9
259.20511	1.4
261.22141	3.1
269.17377	5.2
301.20044	21.5
301.78729	1.0
304.49176	1.1
317.24677	1.3
335.25812	19.8
393.31799	1.2
411.32700	1.5
437.28522	1.0
437.34406	2.9
455.34909	1.8
481.67145	1.1
485.36234	4.9
493.36700	1.2
503.37311	80.6
504.37381	3.7
511.37732	2.5
517.38611	4.2
529.38898	24.7
561.41504	91.2
562.41919	6.3
705.45581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	14.6
69.03433	4.2
69.07072	3.9
69.38324	13.0
71.04987	2.7
79.05499	15.8
81.03420	39.6
81.07057	14.9
83.04976	3.5
83.08609	12.9
85.02919	4.0
85.06566	1.7
87.80630	1.6
91.03975	2.0
91.05495	14.1
93.07045	14.5
95.04971	19.8
95.08607	8.7
97.02893	5.2
97.06535	5.1
97.10181	12.3
98.20693	2.2
103.05494	1.6
105.07023	9.2
105.50512	1.4
107.04964	12.2
107.08605	11.0
109.02886	2.1
109.06502	8.0
109.10154	5.9
111.04436	1.5
111.08103	4.2
117.07047	3.5
119.04955	2.3
119.08572	9.2
121.06509	8.4
121.10170	8.0
123.04394	2.5
123.08082	3.1
123.11676	2.3
125.09612	12.9
129.07025	8.3
131.04979	2.1
131.08595	10.5
133.06497	3.0
133.10120	2.8
135.08078	5.4
135.11740	1.6
137.06018	2.1
141.07062	1.4
143.08656	1.6
145.06479	4.8
145.10146	5.7
147.04445	2.8
147.08067	5.1
147.11711	5.3
149.09616	5.0
153.09109	2.6
155.08571	2.5
157.06477	1.4
157.10158	7.9
159.08078	1.8
161.05995	1.7
161.09601	2.4
163.11211	2.2
165.12749	2.1
171.08084	2.1
171.11749	2.5
173.09647	2.0
175.11205	5.8
189.09451	1.7
189.11227	5.8
189.12737	2.6
193.12225	15.9
211.13409	1.7
213.12679	2.5
215.14424	3.0
219.13799	2.9
223.13269	2.3
225.12898	1.7
227.12761	2.9
233.15404	3.3
235.13228	1.8
249.14934	1.7
255.13866	2.3
267.15927	46.9
268.16434	2.0
273.14899	5.8
339.23157	2.0
349.21552	4.9
367.22675	13.8
385.23718	23.2
403.24933	7.7
441.26495	9.0
459.27417	100.0
460.27457	4.0
477.28485	87.0
478.29007	2.6
491.30048	12.9
501.28378	3.6
509.30978	6.5
531.29846	2.0
541.33868	1.4
543.29529	2.4
555.29211	1.8
567.29822	4.4
888.91730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99088	1.5
67.05505	50.9
69.03432	3.0
69.07071	9.4
69.50051	14.0
71.04964	1.8
71.08630	23.5
73.02910	1.6
79.05496	9.8
81.03424	3.2
81.07055	24.3
83.04983	3.2
83.08624	14.9
85.02898	20.1
85.10185	13.6
87.04469	5.0
91.03952	5.4
91.05489	6.5
93.07043	6.8
95.08610	25.1
97.02889	6.7
97.06538	3.0
97.10166	16.4
97.69165	1.8
99.04455	1.7
105.07066	2.1
107.08595	8.5
109.10155	42.0
117.07052	1.6
119.08586	3.4
121.10174	2.8
123.11729	3.2
125.09631	16.5
125.12180	1.7
127.03909	2.0
131.08540	1.9
132.00090	1.5
137.09637	2.0
143.10712	3.4
145.05013	2.0
155.10667	1.9
163.06015	3.5
163.11150	3.5
165.58365	1.6
173.11713	12.8
191.10736	2.3
199.13304	11.4
209.11699	3.9
227.12764	5.2
229.14351	62.0
239.23706	5.0
257.24701	1.8
267.16010	2.5
283.15466	4.0
301.16476	31.2
313.27359	100.0
314.27670	1.9
421.38577	1.9
437.36313	5.5
455.37473	13.3
467.37296	37.3
467.43588	3.5
521.38538	2.0
539.39392	18.5
557.39807	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	914.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65856	1.1
65.19244	1.4
67.05506	11.9
69.03435	1.8
69.07058	5.7
69.41074	11.1
70.14862	1.1
70.32783	1.2
71.04992	2.7
71.08628	21.1
72.41811	1.2
79.05490	8.0
80.34840	1.3
81.03415	57.8
81.07052	18.2
83.04975	3.1
83.08625	17.8
83.78352	1.4
85.02905	5.5
85.10182	12.4
91.03949	2.9
91.05471	10.3
93.07009	6.6
94.72997	1.3
95.04973	16.6
95.08601	16.7
97.02891	4.2
97.10149	5.2
105.07031	7.5
107.04972	4.3
107.08593	2.6
109.10121	7.1
111.08086	3.8
119.08572	7.9
121.06470	2.2
121.10155	4.7
123.04416	1.8
123.11726	3.3
127.03941	1.9
129.07011	7.6
131.08565	5.7
133.06470	2.1
133.10086	2.6
137.13271	1.8
140.46054	1.3
142.07806	2.5
145.10106	1.5
147.11646	5.1
149.09642	2.8
157.10147	7.5
163.06012	2.4
165.12788	1.7
175.11188	5.8
193.12227	24.8
211.13235	1.3
235.13226	2.4
239.23656	3.6
249.14821	2.0
257.24686	1.7
259.13147	1.3
267.15906	99.5
268.16415	1.8
309.17007	3.6
313.27344	100.0
314.27704	1.8
462.58646	1.3
505.38858	89.5
506.39175	2.1
523.39551	1.7
547.39893	5.0
601.40747	3.6
613.40704	3.3
631.41370	2.2
644.99323	1.4
914.49915	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	916.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	41.7
69.03418	2.9
69.07061	10.2
69.39625	2.3
69.40036	9.0
71.01334	1.2
71.05000	2.2
71.08630	17.5
73.02907	3.4
79.05490	12.3
81.03423	5.8
81.07056	24.0
83.04967	2.7
83.08610	17.2
85.02901	22.0
85.06527	1.6
85.10177	11.6
87.04451	5.1
89.06045	1.6
91.03960	4.9
91.05467	4.7
93.07037	4.7
95.04959	1.9
95.08598	23.7
97.02374	1.3
97.02870	7.2
97.06547	1.5
97.10159	22.1
98.21455	2.7
103.03941	2.2
105.06989	1.8
107.04996	2.4
107.08585	8.4
109.10152	33.7
119.08595	3.4
121.10151	1.7
123.11721	3.5
125.09624	14.0
127.03905	2.4
133.10150	1.4
143.10683	4.0
145.04913	2.2
145.10153	2.1
153.12740	2.4
155.10677	2.1
163.00723	1.2
163.05995	2.1
163.11133	3.3
173.11716	9.1
181.12074	1.3
191.10716	1.8
199.13255	10.3
209.11769	3.8
209.54184	1.4
217.14407	1.8
227.12749	8.1
229.14340	50.5
239.23785	4.6
242.75368	1.4
257.24905	1.9
267.15964	2.0
283.15363	3.8
300.15118	1.8
301.16425	28.2
313.27353	100.0
314.27795	3.1
385.50842	1.3
437.36264	5.3
455.37314	16.1
467.37311	28.8
505.38373	1.6
521.38141	3.5
539.39441	16.2
557.40027	4.5
785.08417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	32.6
69.03428	1.5
69.06725	1.1
69.07066	13.9
71.03140	1.4
71.03487	1.3
71.04995	1.7
71.08630	1.2
73.02898	2.0
79.05491	19.0
81.03428	1.8
81.07056	34.0
83.04965	2.6
83.08629	9.1
85.02905	3.5
91.03941	1.3
91.05467	7.7
93.06557	0.7
93.07043	24.7
95.04961	3.7
95.08605	40.8
97.02888	3.5
97.06525	4.0
97.10161	5.1
99.04450	2.7
105.07023	7.7
107.04974	3.5
107.08596	18.9
109.06498	2.0
109.10146	10.0
111.04443	1.6
111.08143	1.2
115.17159	0.7
117.07018	4.7
119.08560	7.7
121.06499	2.5
121.10148	10.7
123.07999	0.9
123.11702	3.3
125.05975	1.5
127.03939	0.9
130.07813	1.1
131.08585	1.2
133.10141	4.9
135.08041	1.5
135.11699	27.3
137.13271	1.3
139.07558	1.0
145.10123	15.8
147.11711	2.2
149.13321	1.4
151.13060	0.7
153.12711	1.1
163.06032	0.9
163.11185	36.2
163.14806	1.3
175.14865	1.2
181.12231	6.3
209.11830	0.9
227.12778	39.6
263.23734	1.6
283.15405	48.4
285.16989	2.3
335.25778	1.5
337.27368	90.0
338.27835	1.2
372.10904	0.7
428.19186	0.8
545.38361	100.0
546.38739	1.7
727.54510	0.8
904.49695	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	908.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	6.3
69.07078	1.2
71.05012	1.4
71.59948	1.3
73.06570	1.2
79.05497	5.8
81.07066	2.9
87.04482	4.2
89.05479	1.9
89.06026	34.2
91.05493	4.1
93.07031	1.8
95.04962	3.3
95.08615	1.9
99.57402	0.8
103.05439	5.2
105.07028	100.0
107.07065	1.7
107.08556	0.9
108.45419	0.8
109.10158	4.7
119.08577	2.1
121.06506	3.8
129.06955	1.1
130.08569	0.9
131.07051	1.8
131.08569	6.0
133.08603	22.2
133.10118	1.3
147.08035	1.7
149.09599	1.1
175.09666	0.9
177.11203	8.4
200.00864	0.8
225.12753	5.4
227.12912	0.9
242.98018	1.1
249.12772	1.1
251.14296	11.0
253.16002	1.9
269.15350	1.8
304.56281	1.0
313.18005	0.9
327.17355	1.7
329.19019	7.6
337.27481	2.4
373.21509	3.8
477.27771	3.2
491.37128	4.5
549.41431	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	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.6
67.05502	33.7
69.03408	1.0
69.07066	15.7
69.86501	3.4
71.04983	1.8
71.08623	1.9
73.02906	1.3
75.42464	0.7
79.05056	1.5
79.05490	19.0
81.03421	1.2
81.07052	35.9
83.04975	2.5
83.08609	11.5
85.02895	3.3
85.06522	1.2
91.03951	1.3
91.05481	8.0
93.07040	26.5
95.04976	5.7
95.08604	41.4
96.79645	0.8
97.02905	3.6
97.06537	3.1
97.10183	4.1
98.21450	0.9
99.04465	2.1
99.08092	1.4
102.57413	0.7
105.07026	7.5
107.04967	5.0
107.08597	20.6
109.06496	1.0
109.10145	10.9
111.04446	1.5
111.08047	1.5
117.07036	4.5
119.08588	8.0
121.06485	2.0
121.10141	10.5
123.11697	3.5
125.05994	1.8
127.03870	0.9
128.06270	1.1
131.08542	1.3
133.10150	5.7
135.11684	30.2
136.12033	0.9
137.13243	2.0
139.07541	0.8
143.08646	1.2
145.04967	1.2
145.10121	16.4
147.11678	3.0
149.13297	1.2
151.14827	1.2
153.12709	0.8
161.13249	2.4
163.06078	1.1
163.11183	43.2
163.14810	1.3
175.14822	1.1
181.12224	7.3
209.11742	1.2
227.12766	39.9
228.40891	0.8
263.23682	2.7
283.15384	49.0
284.15475	1.0
285.16949	1.4
335.25745	2.3
337.27353	87.3
338.27838	2.3
379.97928	0.9
426.63254	0.8
545.38367	100.0
546.38763	3.1
661.89197	0.9
904.49225	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56775	1.3
67.05503	35.1
68.91776	1.4
69.03426	2.6
69.07070	10.2
71.04983	3.0
71.26393	1.3
71.59526	2.0
73.02893	2.9
79.05489	33.1
81.03404	5.3
81.06581	2.3
81.07056	41.5
83.04971	3.4
83.08610	10.1
85.02911	4.1
87.91479	1.4
91.05475	18.8
93.07041	54.1
95.04947	9.9
95.08603	53.0
97.02884	4.6
97.06536	4.0
99.04446	5.8
103.05494	1.5
105.07021	11.9
107.04958	7.5
107.08598	35.2
109.06547	3.5
109.10149	10.4
111.15423	1.3
117.07003	10.6
119.08575	11.0
121.06493	6.1
121.10151	20.5
123.08057	2.4
123.11684	3.0
125.05968	2.6
127.03886	1.3
131.08569	5.3
133.10156	7.1
135.08052	2.2
135.10689	3.0
135.11694	47.5
136.12120	1.6
139.07513	1.9
143.08450	1.3
145.10115	30.3
146.03896	1.4
147.11693	2.3
149.13257	2.1
159.11734	1.5
161.13260	1.7
163.11176	60.3
163.14896	1.4
173.13234	2.4
181.12265	11.5
197.09593	4.0
227.12778	88.0
227.20119	1.8
243.21065	1.7
261.22107	8.3
283.15399	100.0
284.15692	1.7
313.27087	1.7
317.24811	2.2
327.28384	1.4
335.25784	92.9
336.26215	3.1
344.91608	1.4
368.80389	1.6
385.15082	1.8
386.14362	3.2
529.39685	1.6
543.36798	95.6
544.37067	3.2
705.41339	2.0
902.48737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.9
67.05502	38.1
69.03396	1.5
69.07063	11.9
71.04943	2.3
71.59151	0.7
71.59581	1.0
73.02862	1.9
79.05489	39.0
81.03403	3.2
81.07052	40.5
82.07423	0.7
83.04946	3.1
83.08614	9.1
85.02893	3.3
85.06490	1.0
91.03915	1.6
91.05473	14.7
93.07038	46.4
95.04449	0.8
95.04965	8.6
95.08601	49.2
97.02882	4.2
97.06474	3.1
97.10107	2.6
99.04410	2.2
105.07018	12.6
107.04957	6.1
107.08585	33.3
109.06455	2.3
109.09490	0.8
109.10156	11.8
111.04411	1.7
111.07995	1.2
117.07011	10.2
119.07817	0.8
119.08571	13.2
121.06517	4.9
121.10134	21.0
123.07994	1.2
123.11657	2.3
125.05961	2.3
129.07021	1.2
130.07745	2.1
131.08548	4.9
133.10118	7.2
135.08008	1.6
135.11684	42.9
136.12013	1.2
137.13228	0.7
139.07564	1.0
145.10112	25.3
147.11665	2.4
149.13240	2.8
159.11649	2.9
161.13220	3.1
162.43272	0.7
163.11171	46.2
163.14810	1.1
173.13248	1.6
175.14828	1.1
181.11015	0.7
181.12251	8.5
195.39848	0.6
209.11794	0.9
227.12769	58.0
243.21007	1.9
261.22107	8.5
283.15384	56.7
284.15698	1.4
310.24930	0.7
313.27625	1.1
317.24695	2.9
323.78186	0.7
335.25787	100.0
336.26041	4.0
388.21393	0.7
392.69846	0.7
543.36792	99.9
544.37152	5.3
740.47565	1.4
867.45386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5726
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05172	2.3
67.05504	30.3
69.03436	1.7
69.07063	6.8
69.14553	1.1
69.48042	11.2
71.05000	11.8
71.08631	14.9
73.02921	2.5
79.05483	7.4
79.88337	1.1
81.07058	55.3
83.04972	1.8
83.08614	10.0
85.02912	9.5
85.06544	4.8
85.10184	8.2
87.48412	1.2
90.13380	1.5
91.03951	4.0
91.05468	10.5
93.07040	6.8
95.08610	18.2
97.02891	5.0
97.06544	1.4
97.10169	5.1
105.07064	3.2
107.08597	5.9
109.10167	8.9
111.11657	1.2
121.10120	2.3
123.11710	11.5
127.03912	1.6
131.08525	1.2
133.10118	9.5
135.11665	2.0
145.04973	2.5
149.13295	3.8
151.11177	4.9
159.11723	1.6
163.06061	2.2
167.12933	1.1
175.44896	1.2
187.13321	2.7
191.41379	1.1
195.13876	1.4
230.58742	1.2
239.23636	1.3
257.17453	2.1
269.17426	6.4
284.05600	1.2
301.20090	14.1
313.27338	12.6
481.38885	67.2
482.39346	1.7
495.40366	3.4
507.40555	6.0
539.43079	100.0
540.43146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.6
67.05501	25.8
68.05811	0.5
68.17929	0.4
68.81022	0.4
69.03393	0.4
69.07066	14.8
70.66265	1.1
71.04963	0.6
71.08622	0.8
77.56303	0.4
79.05490	7.7
80.03129	0.5
81.03409	0.4
81.07053	27.6
83.04974	1.1
83.08141	0.7
83.08607	7.9
85.06542	0.9
85.10162	0.7
91.05487	5.1
93.07039	7.1
95.04941	0.9
95.08602	20.3
97.06512	1.9
97.10173	3.8
99.08079	0.8
105.07032	3.3
107.08591	4.6
109.06541	0.6
109.10151	10.3
111.08074	0.9
111.11711	0.7
113.00011	29.0
119.08559	2.4
120.59669	0.4
121.10129	3.5
123.08102	0.5
123.11688	3.2
125.09598	0.5
127.83229	0.5
133.10114	2.5
135.11649	2.1
137.13229	1.2
147.11713	2.0
149.13268	1.3
151.11133	0.4
151.14825	0.8
161.13264	1.6
163.14833	0.8
169.02606	23.5
175.14761	1.2
187.03664	2.2
189.16411	0.5
245.22697	1.5
263.23703	4.3
301.16513	0.5
313.27356	1.3
337.27350	100.0
338.27695	3.2
539.39185	0.6
897.49158	0.5
899.71350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	11.9
69.03425	2.2
69.07066	5.4
70.30324	3.4
71.04984	3.0
71.08636	12.7
73.02901	1.6
79.05489	6.0
81.03422	32.6
81.07055	17.0
83.04987	5.5
83.08620	12.4
85.02905	14.1
85.10189	7.0
91.03959	2.1
91.05471	9.7
93.07046	6.1
93.79092	0.8
95.04969	10.6
95.08608	11.9
97.02886	3.8
97.06536	1.4
97.10169	5.1
105.07038	8.8
107.04968	2.4
107.08604	3.5
109.06515	2.3
109.10175	5.3
111.08067	5.3
112.17519	0.9
116.14109	0.8
118.99028	0.8
119.08595	7.9
121.10144	2.9
123.08092	0.8
123.11727	1.7
124.44568	1.0
127.02689	0.7
127.03827	1.3
129.07054	4.5
131.08514	5.4
132.03860	0.7
133.06503	1.5
133.10123	3.0
143.68494	0.8
145.10162	1.0
147.08128	1.5
147.11703	5.5
149.09656	1.5
157.10147	6.1
163.05936	1.3
175.11224	7.3
184.07367	1.5
193.12245	20.2
194.12608	1.0
211.13313	28.1
239.23837	1.6
267.15912	7.1
285.14609	0.8
285.16995	25.1
313.27377	33.8
314.27603	1.8
387.51355	1.0
505.38870	6.1
523.39960	100.0
524.40253	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	888.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	4.2
67.05505	100.0
69.03412	10.1
69.06788	2.4
69.07071	27.3
69.59795	2.5
71.01370	5.7
71.04976	8.1
71.08621	2.5
71.59227	2.4
71.59627	3.8
79.05070	3.5
79.05496	52.9
81.03423	17.6
81.07055	66.5
83.04974	14.3
83.08631	14.9
85.02901	13.6
85.06513	5.0
87.04462	3.5
88.57667	2.9
91.05479	39.4
93.07037	42.0
95.04963	13.4
95.08605	28.3
97.02885	7.5
97.06544	14.0
97.10168	15.0
99.08068	3.4
99.82238	2.6
105.07027	33.2
107.04946	14.7
107.08590	34.8
109.06512	7.3
109.09462	4.0
109.10155	53.5
111.08057	9.0
117.07050	13.0
119.08573	24.0
121.06515	5.3
121.10174	13.2
123.08047	6.0
125.09627	15.6
129.05470	4.8
129.07002	8.7
131.08553	16.6
133.10143	18.5
135.08051	3.8
135.11723	16.3
137.09604	4.7
145.10158	13.9
145.11099	3.3
147.08093	3.3
147.11699	5.6
149.09589	15.0
149.13271	7.0
151.11317	3.1
153.12752	4.3
157.10155	4.8
159.11694	12.7
161.09566	4.2
161.13216	3.6
163.11180	16.8
173.11742	18.8
173.13150	6.2
175.11205	3.3
177.12665	6.0
181.12242	4.4
193.12212	5.4
195.13791	6.8
199.13232	5.0
209.11623	4.0
211.13243	3.9
227.12755	12.2
229.14282	27.6
247.20718	2.8
251.71590	2.5
255.15913	9.2
257.19244	5.3
265.14386	3.5
267.15988	6.3
269.17453	16.7
275.20050	20.3
283.15375	2.9
293.21069	8.6
301.16373	5.9
320.80945	2.7
321.16858	3.0
349.23740	18.9
367.24759	3.5
399.24039	14.4
409.25580	7.9
423.27499	19.8
503.33630	6.1
579.34607	3.8
593.36682	26.5
673.42847	10.1
888.50781	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	880.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	2.2
67.05499	14.7
69.03419	1.2
69.07065	6.9
71.04970	2.2
71.08631	17.9
71.59640	1.5
73.02911	1.9
79.05494	12.2
81.03399	1.8
81.07055	16.5
83.04974	2.3
83.08611	9.8
85.02893	3.5
85.10182	12.3
91.03972	1.5
91.05495	4.9
93.06477	1.2
93.07042	21.2
95.04986	4.7
95.08603	31.4
95.79494	0.9
97.02906	4.6
97.06520	2.6
97.10162	3.5
99.04443	2.3
99.35384	0.8
105.07008	4.9
107.04951	4.6
107.08589	16.9
109.06519	1.9
109.10139	5.9
117.07021	5.2
119.08559	7.1
121.06512	4.6
121.10140	7.9
123.11710	2.9
125.05975	1.6
127.04001	0.9
130.07701	0.8
133.10115	1.5
135.08029	1.6
135.11691	35.0
136.11971	1.1
137.13239	1.5
139.07544	1.1
145.10120	20.3
153.12746	0.8
163.11180	51.5
181.12225	8.9
209.11839	1.4
227.12776	53.5
228.13208	1.1
239.23679	2.1
257.24695	1.6
283.15390	78.5
284.15784	2.5
313.27362	84.9
314.27670	1.9
377.36090	1.0
454.97690	0.9
479.13220	0.9
521.38373	100.0
522.38843	4.7
629.15533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.2
66.73367	1.2
67.05496	10.5
69.07056	7.7
69.49706	1.3
69.61778	9.9
71.08631	16.4
79.05486	11.2
81.03432	3.0
81.07057	18.7
83.04975	2.2
83.08609	7.7
85.02889	2.6
85.10188	12.4
89.06029	1.4
91.05457	3.4
93.07043	18.2
95.04957	3.2
95.08599	32.3
97.02866	3.5
97.06523	1.5
97.10154	4.1
98.20716	1.7
99.04443	2.1
105.07012	3.4
107.04965	4.1
107.08589	14.0
109.10137	8.3
111.04414	1.8
117.07010	5.0
119.08572	5.0
121.06483	4.4
121.10127	7.2
123.11620	2.1
124.48450	1.3
133.10127	2.0
135.11684	26.6
139.07550	1.7
140.74838	1.2
141.49907	1.2
145.10152	13.4
151.85370	1.4
163.11177	37.2
181.12177	7.4
227.10533	2.7
227.12756	39.0
227.14908	2.6
257.24814	1.6
283.15402	39.0
313.27353	100.0
314.27725	2.2
521.38336	92.9
522.38580	4.6
558.55768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.1
67.01861	0.7
67.05489	0.6
67.86097	0.4
68.99780	8.0
69.59868	0.7
69.60283	2.5
77.03924	1.0
79.05486	1.4
81.03411	4.2
83.04961	0.8
85.02907	1.0
89.03921	1.6
91.05468	1.3
93.03411	1.1
95.04987	2.8
96.58213	0.4
97.02890	0.7
99.04449	1.3
103.05460	1.1
105.03383	1.3
105.07015	0.6
107.04956	5.3
108.77233	0.4
109.02856	3.4
109.16920	0.4
111.00798	6.6
111.04438	8.0
115.05449	1.1
117.03371	1.7
117.06934	0.6
119.04925	2.4
121.02849	2.4
123.04420	62.2
124.04765	0.6
127.03909	100.0
128.04204	0.8
129.06998	1.0
131.04938	3.5
133.02896	0.6
135.04407	55.6
136.04729	0.6
137.02335	4.5
137.05969	0.9
139.03894	39.3
140.07079	0.7
141.01799	0.4
141.06987	1.4
143.04921	1.4
145.02846	1.3
145.06503	1.2
147.04387	6.8
149.02324	6.4
149.05983	2.2
150.03157	0.5
151.03893	12.7
151.05121	0.7
153.01801	0.5
155.04903	2.0
157.06483	1.3
159.04413	4.6
161.02324	0.6
161.05966	4.7
162.05484	3.1
163.03897	53.7
164.04298	0.7
165.01875	0.9
165.05482	5.3
167.03395	5.7
167.04747	0.7
169.04948	1.9
169.06471	2.5
173.05975	4.5
175.03867	2.0
175.07539	0.6
176.04642	0.6
177.05479	7.5
179.03383	8.1
179.06944	0.6
181.04938	1.8
181.06471	1.2
183.04396	2.4
185.06000	1.7
187.03847	6.7
187.05202	0.6
187.07509	0.9
189.05463	2.8
191.03397	7.9
191.07071	0.6
193.04976	2.1
197.05962	5.5
201.01733	0.4
201.05446	7.7
203.03374	9.1
203.06970	2.0
205.04971	2.2
207.02876	0.8
207.06537	1.9
211.03868	1.0
213.05461	3.0
215.03424	2.5
215.06978	3.5
217.04964	2.6
219.06497	1.0
221.04210	0.5
221.06116	0.8
223.02341	1.0
223.05940	0.5
225.05460	1.6
227.03490	0.5
227.07068	0.6
229.04941	10.2
231.02884	0.8
231.06461	2.0
233.04451	3.1
237.05411	0.9
239.07013	0.7
241.04956	2.8
243.06506	5.8
245.04439	40.8
247.06015	38.8
248.06424	0.7
253.04854	2.9
255.06549	2.2
257.04440	13.6
258.05157	1.4
259.05945	6.7
261.07477	2.5
263.05408	2.0
265.04990	1.2
267.06531	1.4
269.04489	4.1
270.05197	0.9
271.05997	24.7
272.06396	0.7
273.04065	0.5
273.07596	2.4
274.04764	2.1
275.05472	14.1
281.04456	1.9
283.05957	8.8
285.03903	1.5
285.07495	1.4
286.04547	0.5
287.02200	0.6
287.05460	19.3
289.07047	25.6
291.08621	13.4
293.04477	0.5
295.06018	2.2
297.03885	1.9
297.07208	0.8
299.05481	6.3
301.07037	8.9
303.05359	0.8
303.08646	2.4
303.13394	2.9
307.06039	1.0
309.04044	1.9
309.07016	0.5
311.05499	2.2
311.08878	0.5
313.07108	1.5
319.06058	0.8
323.05563	2.2
331.08105	0.7
339.08575	0.6
345.07559	0.6
349.07016	0.6
351.05035	1.4
361.07047	1.5
363.08670	0.7
365.06561	2.1
372.08801	0.4
373.06790	0.6
377.06403	1.1
379.07996	2.4
381.09766	0.6
383.07413	1.7
389.06497	1.7
391.08176	2.1
393.05893	2.4
395.07407	2.0
397.09229	4.2
401.06610	0.6
405.05707	1.9
407.07593	18.5
409.09195	22.3
411.10797	5.7
419.07660	4.0
421.08936	2.7
425.08606	7.6
427.10233	9.1
431.07700	1.0
433.09256	1.9
435.10571	1.8
437.08719	4.7
439.10156	1.9
449.08542	2.0
451.10187	3.7
453.11880	2.1
517.10956	2.0
527.09766	2.1
535.11896	1.4
541.10950	1.1
545.10693	4.4
559.12097	0.6
561.13373	1.4
571.12225	0.7
577.13379	1.1
579.14966	2.9
602.58478	0.5
679.13898	1.4
697.15918	2.0
715.15625	0.6
806.69885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.9
65.43023	0.9
67.01859	1.3
68.99786	10.4
70.41685	3.7
73.36581	1.0
77.73154	0.9
79.05512	2.4
81.03419	5.2
83.04994	2.7
85.02905	2.2
89.03927	3.8
93.03391	1.4
95.04970	2.0
105.03412	1.7
107.04944	7.2
109.02885	3.9
111.00793	7.4
111.04444	13.7
115.05464	1.6
117.03353	2.3
118.60073	1.1
119.04953	1.3
121.02858	1.9
123.04431	88.4
127.03920	100.0
129.06947	1.1
131.04947	3.9
135.04419	72.9
136.04802	1.1
137.02380	6.3
139.03903	60.8
141.06987	1.5
145.02795	1.7
145.06470	2.2
147.04373	10.3
149.02335	6.8
149.05981	2.4
151.03902	20.7
155.04924	1.7
157.06517	1.1
159.04434	6.0
161.05969	3.4
163.03914	72.7
164.04308	1.9
165.01900	1.5
165.05489	5.1
167.03404	6.2
169.04974	6.8
169.06509	3.0
173.05968	6.6
175.03909	5.3
177.05505	7.7
179.03421	11.6
183.04388	2.4
185.05994	3.0
187.03894	10.2
189.05507	4.3
191.03387	13.3
193.05022	3.6
197.06001	6.6
199.03972	1.7
201.05478	12.0
203.03421	15.1
203.07025	2.7
205.04991	3.9
207.02835	1.2
207.06425	1.1
209.06061	1.3
213.05399	4.8
215.03352	4.9
215.07057	3.1
217.04913	3.1
219.06532	1.6
223.02480	3.7
225.05553	2.9
227.07069	1.7
229.04997	14.1
231.02934	1.3
231.06491	2.9
233.04478	3.4
235.02403	1.8
237.05452	2.9
241.04976	4.6
243.06519	5.3
245.04468	68.1
247.06015	52.3
253.04993	3.5
255.06509	2.9
257.04456	22.1
257.08521	1.4
258.05157	2.0
259.05991	12.3
261.07562	5.1
263.05453	2.7
265.04898	2.4
267.06451	1.8
269.04373	5.3
271.05991	34.0
272.06512	1.5
273.03961	1.3
273.07474	1.7
274.04739	2.8
275.05463	19.6
281.04465	2.0
283.06009	11.1
285.03915	1.9
285.07541	0.9
287.05515	20.4
289.07071	39.8
291.08679	15.6
295.06033	4.7
297.03979	2.2
299.05511	8.4
301.07062	17.0
303.05319	1.1
303.08725	2.8
307.05981	1.5
309.04019	1.6
309.07330	1.6
311.05481	3.0
313.07062	7.0
315.05161	1.6
317.06900	1.4
319.06235	1.6
321.07513	1.2
323.05548	3.6
329.06589	2.1
331.08246	4.7
341.06537	2.0
345.07419	1.3
351.04785	2.4
361.06943	3.1
365.06241	1.8
375.04486	1.3
377.06583	2.7
379.08142	4.8
383.07639	3.0
389.06616	3.1
391.08163	4.1
393.05957	5.2
393.10361	1.1
395.07663	2.8
397.09097	4.7
403.07620	1.0
405.05920	5.1
407.07666	25.0
409.09189	36.4
411.10709	5.9
415.08734	1.1
417.05692	1.6
419.07547	8.5
421.09219	4.7
425.08551	12.1
427.10260	13.1
431.07919	2.0
433.09070	4.8
435.11121	1.5
437.08685	9.8
439.10284	2.4
449.08545	3.3
451.10297	8.9
469.11310	2.2
517.11304	1.9
527.09979	4.3
529.11005	1.6
541.11151	1.3
545.10864	8.3
553.11432	2.0
557.10815	1.6
559.11749	2.0
571.12183	5.6
579.14581	2.8
589.13544	2.4
661.24872	1.2
679.14276	2.1
697.15094	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	867.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.7
67.01858	1.3
68.99791	8.8
69.87614	4.8
79.05470	1.1
81.03429	3.9
83.04987	1.5
85.02894	1.0
89.03916	2.3
91.05475	1.7
91.46614	0.7
91.51779	0.7
93.03391	1.2
95.04979	1.8
99.04454	1.1
103.05442	0.7
105.03388	1.8
107.04945	6.4
109.02880	2.8
111.00805	8.9
111.04439	6.8
115.05491	1.3
117.03415	1.8
119.04909	1.6
121.02861	2.0
123.03714	1.0
123.04427	59.4
127.03917	100.0
128.04216	0.9
131.04922	3.6
135.04414	57.2
137.02344	5.5
137.05898	0.8
139.03903	45.7
141.06981	1.4
145.02838	1.0
145.06488	1.1
147.04416	8.6
149.02347	8.3
149.05956	2.6
151.03914	11.0
155.04877	1.4
159.04413	4.7
161.02359	1.3
161.06010	3.6
163.03905	62.1
164.04523	1.4
165.01762	1.1
165.05533	4.6
167.03416	6.0
169.04979	3.6
169.06506	2.5
173.05975	4.3
175.03923	3.5
175.33791	0.9
177.05469	7.0
179.03423	9.2
181.04974	2.0
181.06444	1.1
183.04468	2.6
185.05919	1.9
187.03860	7.9
189.05482	3.2
191.03381	11.4
193.04959	2.2
194.96689	0.8
197.05942	4.9
201.05461	9.4
203.03366	12.7
203.07024	1.6
205.05000	3.0
207.06493	1.3
209.06052	1.0
213.05452	2.9
215.03421	4.6
215.07115	2.8
217.04979	3.2
219.06529	1.6
223.02255	1.0
225.05428	3.8
227.06909	1.1
229.04984	11.0
231.06531	2.3
233.04503	4.1
237.05440	1.8
239.06985	0.9
241.04985	2.6
243.06503	6.5
244.03699	1.1
245.04456	73.3
247.06029	54.0
248.06279	1.1
253.04897	2.1
255.06537	2.3
257.04453	18.7
258.05234	1.7
259.06036	11.5
261.07617	2.5
263.05417	1.5
265.04962	1.9
267.06644	1.2
269.04553	5.8
271.05997	26.9
273.07565	1.9
274.04788	3.6
275.05493	25.4
276.05997	1.1
279.06714	1.0
281.04416	3.4
283.05966	12.4
285.03992	2.8
285.07343	1.1
287.05481	21.4
289.07059	30.6
290.07602	1.1
291.08633	15.0
293.04495	1.5
295.06012	2.4
297.04004	2.7
299.05502	6.7
301.07068	12.6
303.05029	1.6
303.08847	1.6
307.06073	2.2
309.03961	2.1
311.05435	2.6
313.07043	2.8
319.06085	1.2
321.07578	0.9
323.05606	2.9
323.09210	0.8
329.06793	1.0
331.08163	2.7
333.07681	0.9
335.05423	1.1
349.06982	1.3
351.05103	4.0
361.06946	2.3
365.06473	2.2
377.06564	1.9
379.08109	2.9
383.07608	4.0
389.06537	2.3
391.08163	3.0
393.05801	3.7
395.07748	2.3
396.08005	1.0
397.09149	7.0
401.06836	1.5
405.05945	4.1
407.07620	28.5
409.09189	27.8
411.10696	3.9
419.07724	6.3
421.09207	4.4
425.08667	7.9
427.04932	1.2
427.10284	11.6
431.07510	1.2
433.09137	3.2
435.10773	1.6
437.08609	10.8
439.10281	2.3
449.08496	1.7
451.10550	4.2
517.11310	2.6
527.09760	4.7
529.10925	1.7
530.03259	0.9
535.12616	1.2
541.10883	1.1
545.10809	7.2
557.10077	1.4
571.12207	1.3
579.14825	3.2
679.14026	1.4
697.15137	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	867.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.1
67.05476	1.0
67.73698	0.7
68.99794	8.0
69.89412	0.6
71.59229	0.8
79.05481	1.3
81.03412	5.4
85.02925	1.1
89.03895	1.9
91.05493	1.5
93.03412	1.3
95.04969	3.0
99.04430	1.4
103.05460	1.3
105.03381	1.1
105.07046	0.9
107.04960	6.5
109.02905	3.7
111.00812	5.7
111.04443	9.4
115.05476	1.0
116.93855	0.7
117.03368	2.0
119.04925	2.4
121.02881	1.5
123.04427	76.1
124.04778	0.9
127.03915	100.0
128.04211	1.1
131.04929	3.3
133.06543	1.0
135.04417	58.3
136.04779	1.1
137.02351	4.8
137.05942	1.3
139.03899	44.1
141.07019	1.3
143.04910	1.5
143.78955	0.6
145.02850	1.2
145.06497	0.9
147.04395	9.8
149.02319	7.0
149.05980	2.0
151.03891	14.2
155.04909	2.5
159.04424	4.6
161.06023	5.2
163.03903	56.7
164.04477	0.6
165.05492	5.0
167.03368	5.9
169.05016	1.8
169.06529	2.3
170.20341	0.6
173.05963	5.7
175.03928	3.2
175.77603	0.6
177.05458	6.2
179.03392	8.0
181.04947	2.5
181.06413	0.9
183.04367	1.6
185.05992	1.7
187.03883	8.9
189.05447	3.3
191.03386	7.8
193.04941	3.3
197.05975	4.9
198.91710	0.8
201.05473	7.8
203.03380	10.3
203.07047	2.3
205.04999	3.1
207.06491	1.4
211.03908	1.0
213.05521	2.8
215.03433	2.3
215.07062	3.7
217.04999	2.2
219.06543	0.8
221.04391	0.8
223.02428	1.8
223.06012	0.8
225.05490	2.1
227.06947	0.9
229.04956	11.6
231.03009	0.7
231.06578	2.0
233.04478	2.9
237.05678	0.9
241.05013	2.5
243.06514	5.1
245.04453	40.9
246.04747	1.2
247.06026	41.2
248.06305	1.1
253.04970	3.5
255.06476	3.5
257.04465	14.6
258.05157	1.8
259.06042	7.5
261.07657	3.0
263.05609	1.9
265.05103	1.1
267.06509	1.0
269.04431	3.7
271.03070	1.3
271.06018	24.9
272.06445	0.7
273.07501	2.0
274.04752	2.0
275.05447	16.7
281.04587	2.1
283.05966	8.9
285.03958	1.3
285.07431	1.7
287.05481	23.7
288.05960	1.0
289.07053	26.0
290.07489	0.9
291.08636	13.6
293.04630	0.8
295.06073	2.7
297.03973	2.7
297.07440	1.2
299.05554	6.1
301.07050	10.2
303.08670	2.3
309.03909	1.7
311.05630	2.7
313.07172	2.9
323.05539	2.1
337.07040	0.8
339.05133	0.9
351.05026	0.9
365.06506	1.2
379.08112	3.0
383.07578	1.4
388.33887	0.8
389.06720	1.7
391.08157	1.5
393.05954	1.6
395.07507	1.4
397.09171	4.8
397.33588	0.7
401.06451	0.8
405.06088	2.6
407.07629	19.3
409.09161	26.1
410.09521	0.9
411.10760	4.3
419.07773	2.4
421.09235	2.5
425.08511	6.6
427.10327	9.1
433.08807	1.4
435.10745	2.5
437.08679	3.7
439.10321	2.9
449.08420	1.9
451.10202	3.0
453.11816	2.6
469.11298	0.8
517.11176	1.8
527.09808	2.4
541.10876	1.6
545.10583	4.0
561.13696	1.8
571.12524	1.5
577.13647	1.3
579.14764	3.6
589.13354	0.9
679.14063	2.3
697.15259	1.7
845.36053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.1
67.01854	0.8
67.05503	1.4
67.89113	0.7
68.05405	0.6
68.99438	0.9
68.99787	8.7
70.10181	0.7
70.23775	3.0
74.31040	0.7
76.11948	0.6
77.03950	1.0
79.05479	2.0
81.03413	4.3
83.04977	1.0
85.02898	1.4
89.03909	2.2
91.05460	0.7
93.03397	1.3
95.04968	2.5
99.04433	1.2
103.05464	1.4
105.03345	0.8
107.04948	5.5
109.02871	2.6
111.00811	7.3
111.04427	7.5
115.05415	1.4
117.03367	1.5
119.04950	2.3
121.02860	2.2
123.04420	61.7
127.03911	100.0
128.04286	0.7
131.04915	2.9
135.04410	56.9
137.02336	4.9
137.05928	1.4
139.03896	48.9
143.04927	1.0
145.02827	1.4
145.06482	1.1
147.04424	8.0
149.02330	5.9
149.05966	3.0
151.03899	13.9
153.07025	1.1
155.04933	1.6
157.06392	1.1
159.04422	4.0
161.02316	0.8
161.05975	4.8
163.03896	55.0
165.01859	0.9
165.05496	5.8
167.03458	6.7
167.04813	1.5
169.05101	1.3
169.06473	2.2
171.04494	0.6
173.05963	4.3
175.03914	2.8
175.07500	0.9
177.05479	6.9
179.03384	7.6
181.04956	1.4
181.06459	1.2
183.04413	1.4
185.05896	1.5
187.03856	8.5
187.07614	0.9
189.05473	3.7
191.03383	9.8
191.07063	0.8
193.04959	2.3
197.05916	4.3
199.07620	0.7
201.05457	9.5
203.03383	11.9
203.07059	2.8
205.04961	4.3
207.02881	1.3
207.06476	1.1
209.06084	0.9
211.03920	1.3
213.05443	2.8
215.03410	3.1
215.06990	3.5
217.04958	2.6
219.06392	0.9
221.04318	0.8
223.02350	2.0
225.05463	3.5
227.03496	0.9
227.06866	0.7
229.04936	10.9
230.05653	0.8
231.02989	1.3
231.06578	1.4
233.04393	6.2
237.05473	1.9
241.04955	3.2
243.06485	6.0
245.04445	56.0
246.04845	0.9
247.06013	44.8
248.06520	1.0
253.04988	3.2
255.06506	3.1
257.04459	16.4
258.05164	1.2
259.05991	9.9
260.06653	0.8
261.07651	2.3
263.05472	2.0
265.04974	0.8
267.06433	0.9
269.04459	5.7
271.05988	24.5
272.06372	1.3
273.07507	1.6
274.04733	3.2
275.05496	18.7
281.04501	2.9
283.05978	12.5
285.03976	1.8
285.07220	1.4
287.05438	21.5
287.08429	1.2
288.05692	0.7
289.07047	22.7
291.08618	15.5
291.11655	1.2
295.06049	3.1
297.03952	2.6
297.07330	0.8
299.05481	5.9
301.07086	12.6
303.08658	2.5
307.06100	1.6
309.03891	2.6
311.05518	2.4
313.06955	1.7
321.07910	0.8
323.05612	3.6
331.08191	1.8
335.05618	1.2
341.06451	1.1
349.07355	0.7
351.04987	3.1
361.06747	1.3
363.04825	0.8
363.08740	1.2
365.06564	2.0
377.06546	1.5
379.08160	2.7
383.07675	1.7
389.06451	1.6
391.08057	2.3
393.05975	4.8
395.07428	1.9
397.09140	6.4
405.06067	4.5
407.02158	1.0
407.07599	20.3
409.09140	26.0
410.09406	1.1
411.10837	4.1
419.07605	5.1
421.09195	2.7
425.08658	7.5
427.10248	10.8
433.09216	2.4
435.11194	1.1
437.08585	7.4
439.10162	2.1
449.08716	2.2
451.10208	3.0
453.11957	1.0
517.11084	3.2
527.09741	2.8
535.12097	1.2
541.11554	1.6
545.10815	5.3
557.11023	1.1
571.12512	1.5
579.14722	2.5
679.14105	1.2
697.15204	2.8
715.15814	0.8
730.66699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.8
67.05508	6.5
69.03429	3.4
69.07067	3.2
69.30640	7.0
73.02922	2.6
74.83354	0.6
75.53831	0.5
79.05494	5.1
81.03427	2.4
81.07051	7.0
83.04965	1.2
83.08626	0.7
85.02896	4.4
91.03966	1.9
91.05475	4.7
93.07042	4.6
95.04986	1.5
95.08611	2.7
97.02889	3.2
97.06528	0.8
98.20724	1.5
101.02395	0.7
105.07040	2.8
107.08595	1.9
109.06508	0.8
109.10172	0.9
111.08068	1.0
119.08598	2.1
121.10166	1.8
127.03937	1.3
131.08559	1.0
133.10147	1.0
135.11679	1.1
136.06219	2.0
147.11703	1.1
157.08693	0.7
243.08531	2.7
281.21283	0.5
333.20407	1.9
345.46527	0.6
389.23340	0.9
439.19525	1.2
453.20990	2.0
469.20676	0.7
551.28198	12.9
715.06805	0.7
763.43158	1.7
861.49634	100.0
862.49976	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	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.5
63.89684	0.4
67.05509	5.8
68.19221	0.4
69.03429	2.5
69.07056	2.1
71.04985	0.6
71.20419	0.8
73.02920	3.5
79.05486	4.1
81.03413	2.2
81.07053	5.3
83.04996	0.9
83.08612	0.6
85.02907	3.6
87.04460	0.4
91.03949	2.1
91.05473	4.1
93.07054	4.3
95.04982	1.7
95.08593	2.8
97.02880	3.6
97.10191	0.8
99.04436	0.5
101.02387	1.6
103.03934	0.5
105.07011	2.4
107.08580	2.4
109.02911	0.8
109.06547	1.2
109.10181	1.2
117.07058	0.9
119.08575	2.0
121.06519	0.5
121.10148	1.3
123.08127	0.5
127.04002	1.0
131.08595	0.8
133.10208	1.4
135.11679	1.1
136.06218	1.8
145.10117	0.9
159.11786	0.5
179.88611	0.4
185.04144	0.5
201.03687	0.4
216.73465	0.5
243.08319	2.5
333.20267	2.8
343.65784	0.4
389.22818	0.6
389.74231	0.4
439.19656	1.5
453.21255	1.2
469.20697	0.9
528.48303	0.4
551.28308	12.4
603.33966	0.5
699.43323	0.7
761.53888	0.5
861.49640	100.0
862.49780	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	860.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02871	1.9
61.56372	1.7
65.03944	4.7
65.39614	1.7
67.05504	91.1
69.03430	11.3
69.06721	2.6
69.07068	32.2
71.04980	8.8
71.08630	30.1
73.02897	2.3
79.05489	68.8
81.03421	21.4
81.07054	100.0
82.07365	2.3
83.04985	18.7
83.08612	27.7
85.02883	6.9
85.06541	5.6
85.10194	3.1
91.04911	2.3
91.05480	55.8
93.07042	79.1
93.07629	5.0
95.04948	20.6
95.08605	50.1
97.02891	11.3
97.06533	14.6
97.10142	13.6
99.04426	3.6
99.08091	31.2
105.07023	39.5
107.04951	5.9
107.08588	45.7
109.02876	4.3
109.06501	6.9
109.10149	19.8
111.04457	3.4
111.08072	8.5
113.09617	3.7
115.05411	3.4
117.07003	22.5
119.08575	23.7
121.06509	7.9
121.10139	24.6
123.08067	3.9
123.11702	5.8
125.09605	11.0
125.78120	1.8
127.03910	5.8
129.05505	4.4
129.07033	10.3
131.08556	20.6
133.10124	25.8
135.08034	4.6
135.11688	17.9
137.09601	2.8
137.13254	3.0
139.11186	5.5
141.07013	3.2
142.07756	2.4
143.08578	11.7
145.10121	15.8
147.11699	16.1
149.09663	4.8
149.13245	24.4
151.11189	34.9
157.10109	7.0
159.11697	17.3
161.13261	15.6
163.11177	18.0
163.14729	3.3
165.12721	5.7
169.10118	3.4
171.11676	6.8
173.04434	4.3
173.11784	4.7
173.13245	3.7
175.11171	2.7
175.14856	5.6
177.12746	9.7
177.23073	2.1
179.14307	8.9
183.11635	3.5
185.13271	4.5
189.11214	8.8
189.12683	2.7
192.02136	1.9
195.13844	10.2
199.14821	3.4
201.12683	2.9
205.15770	2.5
207.01636	2.0
213.14732	2.7
215.56006	2.0
217.19472	2.0
221.15411	2.5
227.12718	15.1
229.14195	3.2
233.15419	2.8
241.19414	5.7
245.13899	3.2
251.16458	3.4
253.17955	3.8
259.20605	10.5
267.15906	3.1
269.17456	59.3
277.21616	39.5
295.22543	3.4
335.25812	2.7
351.25284	50.3
357.23914	2.4
367.24765	3.5
423.27588	2.2
431.27734	3.5
435.32748	2.9
439.27710	2.4
445.29626	5.2
447.30920	4.7
453.33582	4.2
463.30566	47.4
517.38745	3.6
527.37170	9.9
529.38885	2.7
545.38336	63.4
546.38763	3.0
563.39166	4.6
607.34833	3.4
627.46021	9.8
664.55048	2.1
680.45209	3.2
860.47607	8.7
861.48395	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	859.481
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02926	3.3
67.05502	8.4
69.03437	4.1
69.07074	4.9
71.04990	1.3
71.59322	1.1
71.59697	0.7
73.02921	3.3
79.05487	6.5
81.03436	3.1
81.07052	9.8
83.04974	1.8
83.08633	3.4
85.02899	3.8
91.03967	2.4
91.05476	5.0
93.07043	6.8
95.04985	1.8
95.08608	3.8
97.02908	5.6
97.06535	1.0
97.10184	1.9
99.04500	0.8
99.08103	0.8
101.02382	1.6
105.07056	3.0
107.04987	1.1
107.08588	4.7
109.02880	0.7
109.10174	2.4
111.08119	1.2
117.07043	1.7
119.08584	2.4
121.10162	2.5
123.08117	1.2
125.09647	1.6
127.03953	1.1
129.05440	0.7
129.07036	1.4
131.08592	2.1
133.10146	2.2
135.08127	0.7
135.11710	1.5
145.10136	1.8
147.11662	1.0
149.13350	0.8
159.11732	0.8
161.13280	0.7
177.12723	0.9
210.90941	0.7
223.13243	1.6
243.08386	4.1
269.17575	1.5
270.17905	1.2
276.20593	0.9
291.19580	1.2
331.18835	1.0
333.20554	1.1
464.31299	1.0
546.39001	1.2
549.26593	7.9
551.28241	6.1
859.48059	100.0
860.48297	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	859.4801
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02920	5.6
67.05499	7.6
67.21676	1.6
69.03416	2.5
69.07063	1.7
71.59667	1.9
73.02924	3.6
79.05505	4.6
80.77509	1.3
81.03416	1.8
81.07049	7.1
83.04962	1.5
83.08611	2.1
85.02897	5.2
91.03955	1.8
91.05478	6.1
93.07047	5.8
94.03140	1.5
95.08056	1.3
95.08611	4.3
95.16553	1.3
96.10132	1.5
97.02887	3.8
99.86945	1.5
101.02402	2.0
105.07027	5.1
107.08598	2.7
109.10167	1.9
111.96338	1.4
119.08570	1.5
131.08583	1.7
133.10155	2.2
138.09430	1.6
147.11612	1.4
175.94434	1.4
193.12138	1.6
243.08521	2.6
285.75308	1.4
301.97296	1.4
331.18863	2.6
333.20453	2.0
439.19458	1.9
502.41495	1.4
549.26501	3.0
551.28247	8.5
761.40491	4.2
841.46753	8.5
859.47827	100.0
860.48914	6.9
871.41376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	3.2
62.09532	0.7
64.41092	0.9
67.05499	10.6
69.03438	3.0
69.07063	4.2
71.05013	1.0
71.59592	0.8
73.02919	4.2
79.05486	5.7
81.03423	3.8
81.07063	8.2
83.04991	1.3
83.08624	2.0
85.02905	4.6
87.04530	0.8
91.03957	1.4
91.05465	5.1
93.07033	5.7
95.04960	2.3
95.08600	4.3
97.02891	4.5
97.10202	1.6
105.07039	4.1
107.04996	0.9
107.08606	3.5
107.79107	0.8
109.06536	1.0
109.10185	3.7
117.07012	1.3
119.08611	2.4
121.06453	0.9
121.10139	1.8
122.80408	0.7
123.04531	0.9
127.03965	1.0
129.07019	0.9
131.08606	1.9
133.10150	2.7
135.11719	1.2
137.09752	0.8
145.10168	1.8
145.49191	0.9
147.11705	1.2
151.11217	1.1
193.42542	0.9
217.16064	0.9
223.13376	0.9
227.20134	1.0
243.08444	3.7
264.01065	0.8
269.17572	1.6
287.05835	0.7
287.41925	0.8
313.27670	1.0
331.18906	1.7
333.20596	1.4
423.44077	0.9
453.20978	1.5
463.30417	0.9
497.32388	1.0
549.26776	6.8
551.28119	5.4
859.48083	100.0
860.48035	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	858.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04064	1.9
61.02923	5.5
65.03931	5.7
67.05505	84.0
69.03431	13.8
69.07070	38.4
71.04498	3.0
71.04983	10.8
71.08634	13.9
73.02924	4.7
79.05495	66.5
81.03416	15.7
81.07056	100.0
83.04974	16.1
83.08624	19.6
85.02895	7.9
85.06551	6.1
91.05480	56.4
93.07042	76.3
95.04964	19.6
95.08607	44.8
97.02885	9.7
97.06534	17.7
97.10184	11.3
99.04476	2.6
99.08098	14.8
105.07027	40.1
107.04959	6.2
107.08599	46.7
108.95100	1.9
109.02856	2.6
109.06531	6.8
109.10155	15.5
111.04454	1.9
111.08074	7.8
115.05428	3.2
117.06998	18.3
119.08556	30.5
121.06498	8.4
121.10148	23.1
123.08048	6.7
123.11703	5.9
125.09635	8.6
127.03902	5.5
129.05484	3.0
129.07040	10.5
130.07903	2.3
131.08562	21.4
133.10121	28.1
135.08035	7.4
135.11720	20.3
135.95299	2.3
137.09602	4.5
143.08553	7.2
145.06470	2.4
145.10117	17.2
147.11707	12.6
148.06306	2.2
149.09639	9.5
149.13255	19.7
151.11226	15.7
155.51427	2.2
157.10133	6.9
159.08070	2.3
159.11684	15.1
161.13261	6.5
163.11171	9.5
165.12749	2.3
169.10136	5.3
171.11688	4.6
173.13222	4.3
175.14833	2.5
177.12794	5.2
179.14355	4.4
181.10120	2.4
183.11714	3.5
185.13245	4.0
187.14832	2.8
189.11163	3.8
195.12057	2.3
195.13806	13.6
197.13223	3.7
227.12671	10.5
239.17989	4.2
241.19534	3.4
255.15952	10.7
257.18997	4.9
259.20605	6.0
267.15894	4.0
269.17459	57.1
275.20081	20.5
276.20624	2.3
277.21649	16.8
331.22668	2.4
349.23752	15.8
351.25366	26.7
367.24808	3.0
399.30261	3.3
445.29636	2.3
449.28970	16.2
463.30511	46.7
525.35724	3.6
531.36597	4.3
543.36487	19.2
545.38324	20.8
551.28003	3.6
561.37830	4.4
607.35022	3.0
625.44482	5.2
643.45404	3.0
859.48120	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.6
65.03938	5.9
67.05504	94.4
69.03424	14.3
69.07067	39.5
70.77977	5.6
71.04993	8.1
71.08633	13.2
73.02896	2.9
79.05492	74.4
81.03414	22.8
81.07056	100.0
83.04984	16.4
83.08615	27.8
85.02898	10.5
85.06532	4.8
86.96690	1.7
91.04894	2.4
91.05479	69.2
93.07042	87.3
93.07633	4.2
94.07371	1.8
95.04960	19.7
95.08603	42.6
97.02892	8.0
97.06528	18.4
97.10173	11.4
99.04480	4.1
99.08089	13.5
103.05492	3.0
105.07026	50.5
107.04951	7.6
107.08596	47.0
109.02895	3.3
109.06535	8.0
109.10135	19.6
111.04441	1.7
111.08093	7.1
113.09621	3.3
115.05486	2.4
117.07024	22.9
119.08578	30.5
121.06496	6.3
121.10143	23.2
123.08060	6.0
123.11689	5.8
125.09641	11.0
127.03921	3.4
127.11221	1.7
129.05515	3.3
129.07001	11.1
131.04936	1.8
131.08557	25.8
133.06526	3.3
133.10129	34.3
135.08049	7.4
135.11684	20.8
137.09653	4.8
139.11143	2.5
140.27013	2.0
141.07011	3.4
141.12740	1.9
142.07797	2.5
143.08549	9.8
145.06482	2.9
145.10109	22.0
147.08032	2.9
147.11691	17.2
149.09605	13.9
149.13272	18.6
151.11171	14.9
155.08589	5.0
157.10158	5.1
157.47041	1.7
159.11684	22.8
161.09628	2.5
161.13187	12.4
163.11169	16.9
163.14717	2.1
165.12778	3.4
166.70634	1.6
167.14272	1.9
168.07683	2.0
169.10173	7.3
171.10344	3.2
171.11612	10.3
173.04440	2.8
173.11821	3.3
173.13272	8.5
175.11203	4.2
175.14844	2.6
177.12733	7.0
179.14323	7.4
181.10121	2.2
183.11720	5.0
185.09607	2.1
185.13252	5.0
187.11058	3.2
187.14809	4.5
189.11224	6.7
189.12784	2.2
195.13751	9.6
197.13330	3.0
213.14784	2.1
227.12781	17.9
229.14220	2.8
229.19597	1.9
239.17918	2.6
251.16278	2.8
253.17889	2.3
255.15840	9.8
257.19000	6.4
259.20688	7.5
267.15887	3.4
269.17480	52.1
270.17834	2.1
275.20013	30.2
276.20020	1.6
277.21622	20.0
293.21051	2.6
331.22644	1.9
349.23712	27.3
351.25427	22.9
367.24728	5.7
369.26691	2.1
395.20261	1.8
421.25827	2.0
423.27426	1.8
431.27695	3.0
439.27029	2.1
445.29800	3.2
447.30960	3.2
449.28979	15.3
451.31860	2.0
453.33301	1.8
463.30502	31.2
490.68558	2.0
525.35565	3.3
527.37469	3.3
531.36450	4.8
543.36829	34.0
545.38287	23.5
561.37677	4.1
563.39709	2.0
607.34668	2.1
625.44531	8.0
643.45355	2.2
780.98511	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.9
65.03928	6.2
66.22874	1.5
67.05504	89.2
69.03428	11.0
69.07068	37.2
69.61215	9.3
71.04976	3.9
73.02898	1.7
73.64140	1.6
75.04468	1.5
79.05493	72.3
79.10792	1.5
80.22453	1.5
81.03419	14.6
81.07056	100.0
83.04974	16.1
83.08620	22.4
85.02888	6.3
85.06529	4.8
91.05479	58.5
93.07040	75.9
95.04956	16.5
95.08601	42.2
97.02884	5.4
97.06533	21.4
97.10157	12.8
99.08073	4.7
103.05471	1.6
105.07031	48.0
107.04971	11.3
107.08589	45.8
108.08920	1.7
109.06516	9.9
109.10164	17.6
111.04459	1.5
111.08047	5.2
113.09666	2.4
115.05396	2.1
116.06246	2.2
117.07020	25.2
119.08578	31.1
121.06498	7.1
121.10147	21.7
123.08053	5.9
123.11680	5.1
125.09633	8.0
128.06163	2.2
129.06989	7.2
131.08563	25.8
133.06439	2.4
133.10129	29.1
135.08032	6.3
135.11691	18.0
137.09607	5.5
139.11128	1.7
140.74512	1.7
141.06943	3.0
143.08572	8.6
145.06532	1.4
145.10118	18.7
145.39282	1.5
147.07985	3.4
147.11682	14.8
149.09628	17.2
149.13258	18.3
149.43463	1.4
151.11218	1.8
155.08499	2.8
157.10130	10.1
159.11708	18.0
161.13229	6.0
163.11176	12.2
169.10092	5.3
171.11676	7.1
173.11826	2.0
173.13237	6.2
175.11159	3.1
177.12750	6.3
179.14319	5.0
181.12097	2.9
183.11732	3.8
185.13179	2.5
187.11234	2.5
189.11179	2.9
195.12045	2.1
195.13818	11.7
197.13220	5.1
199.14864	1.9
205.12206	1.8
211.14755	2.3
227.12775	11.2
227.17859	1.6
229.14348	2.2
229.19531	2.6
233.15189	2.3
233.19014	2.2
233.21193	1.9
235.16988	1.6
239.17950	2.3
247.20560	3.0
251.16434	1.7
255.15868	13.4
257.19070	10.3
259.89673	1.5
267.15961	3.0
269.17471	48.3
275.20087	46.6
291.19519	2.3
293.20941	3.6
297.17386	1.7
331.22513	3.8
349.23749	36.5
367.24762	6.5
431.27792	2.1
433.30948	2.0
435.27258	3.1
449.29047	25.3
463.30566	34.0
525.35632	4.3
529.35150	6.8
543.29407	2.7
543.36798	36.3
547.36230	2.1
561.37476	5.3
607.34711	2.7
623.43195	3.8
641.44110	3.4
856.44623	3.4
873.83246	2.0
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
61.02921	2.9
65.03934	4.6
67.05505	81.8
69.03418	14.5
69.07066	47.9
69.87370	5.2
69.87790	10.0
71.04974	8.2
73.02896	2.9
79.05493	73.4
80.27674	2.3
81.03409	20.0
81.06581	5.5
81.07055	100.0
83.04977	17.0
83.08625	21.5
85.02895	6.0
85.06538	4.8
91.00411	2.1
91.05476	69.2
92.05821	3.9
93.07040	82.7
95.04963	21.3
95.08605	54.8
97.02895	6.1
97.06529	26.5
97.10174	16.3
98.21402	4.2
99.08083	3.1
105.06382	4.6
105.07035	59.7
106.93649	2.4
107.04948	14.8
107.08585	51.9
109.02839	3.4
109.06516	13.3
109.10149	21.9
109.73260	2.7
111.04453	2.5
111.08056	8.7
115.05449	2.9
116.07069	3.3
117.07011	30.3
119.08575	43.0
121.06502	6.2
121.10124	24.3
123.08051	6.1
123.11680	9.4
125.09623	8.5
127.03923	3.8
128.06221	2.8
129.05476	3.0
129.07022	13.9
131.08566	30.9
133.06523	4.9
133.10130	41.4
135.08047	7.1
135.11684	21.2
137.09604	6.4
141.06961	6.8
143.08543	13.4
145.10103	24.5
147.08002	4.7
147.11647	20.9
149.02336	4.2
149.09616	20.7
149.13242	17.8
151.09904	2.7
151.11166	5.4
155.08534	5.8
157.10138	9.1
159.11667	20.0
161.13243	7.8
163.11157	21.1
165.12820	2.7
169.10115	8.7
171.11670	8.1
173.04527	5.6
173.13255	10.5
175.11240	4.4
177.12714	8.7
179.14304	5.7
181.12212	5.6
183.11671	7.7
185.13278	6.3
189.11209	4.1
195.13759	11.8
197.13197	5.0
199.14818	5.5
213.14867	3.1
227.12738	12.2
229.14343	4.1
229.19496	3.8
239.17853	6.9
242.11076	2.7
247.20570	7.0
255.15883	19.6
257.18976	15.5
267.15894	4.8
269.17447	51.3
275.20026	59.2
293.21042	4.1
303.16043	5.3
331.22665	4.2
345.72244	2.6
349.23758	47.5
353.24567	3.0
367.24887	6.6
435.27383	3.4
445.29498	3.6
449.29037	28.7
451.32416	4.2
463.30493	30.7
464.31180	3.5
525.35364	3.6
529.35315	15.2
543.36719	44.6
561.37689	5.8
623.42615	7.7
641.44098	3.5
816.04156	3.2
886.96173	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99699	1.6
65.03936	3.9
67.05502	50.0
68.05850	2.0
69.03432	10.6
69.06720	2.8
69.07071	39.2
69.31750	17.8
71.04981	3.9
71.08620	14.0
79.05491	41.4
81.02987	1.8
81.03411	11.4
81.07053	48.0
83.04975	6.7
83.08612	15.4
85.02916	1.9
85.06564	2.1
89.06024	3.8
90.74146	1.4
91.05477	32.5
93.07040	40.7
95.04961	12.3
95.08598	24.0
97.02892	8.7
97.06541	6.1
97.10166	16.4
99.04403	2.1
99.08115	8.0
105.04513	2.1
105.07030	22.4
105.38123	1.6
107.04961	8.7
107.08597	27.1
109.06523	6.3
109.10176	13.4
110.10400	2.0
111.08089	4.3
115.45129	1.5
117.07009	12.4
119.08571	16.8
121.06509	6.7
121.10149	13.2
123.08071	3.9
123.11685	1.6
125.09633	15.1
126.21458	1.5
127.03915	2.9
129.07010	6.8
131.08572	13.7
133.06538	3.6
133.08562	3.1
133.10107	13.4
133.19693	1.6
135.08041	5.1
135.11684	9.9
137.09592	2.0
139.11150	1.7
143.08537	5.2
145.06410	2.5
145.10086	11.1
147.08049	3.9
147.11710	6.6
149.09634	6.7
149.13293	7.6
151.11169	10.1
157.10143	3.8
159.11699	6.4
161.09697	2.0
161.13277	6.2
163.11220	5.4
165.12793	2.4
167.10709	1.8
171.11644	2.6
175.11230	3.2
175.14822	3.5
177.12747	6.1
179.14284	2.0
189.11214	7.9
195.13860	4.5
205.12273	1.9
208.92819	1.9
223.13301	17.4
227.12794	19.1
245.19130	1.8
249.15117	2.4
253.14371	3.4
254.14764	2.7
257.19263	2.1
259.20688	4.7
267.16049	2.2
269.17511	16.0
273.18509	13.5
275.20026	8.1
277.21634	11.9
291.19556	100.0
292.19739	1.9
293.21106	30.4
296.28543	2.4
313.27502	1.9
315.50089	1.8
347.21890	2.5
349.23828	6.7
351.25317	18.4
365.23242	39.9
367.24747	5.3
535.32507	2.8
541.34845	2.1
559.36285	45.0
623.42560	2.3
641.43927	26.0
659.44238	2.1
763.01465	2.0
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
61.02929	8.3
65.03935	8.1
66.93729	4.3
67.05502	94.8
69.03419	17.1
69.07067	33.7
71.04995	11.6
71.08624	8.8
79.05492	56.5
81.03409	18.3
81.07060	100.0
83.04980	18.7
83.08621	17.0
85.02911	11.8
85.06557	9.7
91.03939	5.2
91.05487	86.4
93.07046	76.6
95.04980	20.9
95.08604	44.0
97.02887	11.3
97.06518	13.5
97.10158	9.4
99.08097	15.1
101.02397	6.0
105.07032	68.6
107.04970	13.6
107.08607	50.1
109.06521	11.9
109.10153	69.1
117.07031	15.5
119.08595	24.5
120.71005	4.6
121.06510	13.2
121.10132	15.9
123.08085	10.8
123.11701	11.5
123.71425	5.0
125.09636	7.0
127.03928	5.6
129.07002	6.7
131.08575	21.2
133.06496	6.7
133.10141	75.2
135.08061	12.8
135.11674	12.6
137.09584	6.4
143.08583	9.1
145.10127	11.5
147.08072	5.9
147.11702	11.8
149.09613	14.6
149.13258	10.7
151.11189	53.3
159.11659	7.6
161.09653	7.9
163.11241	13.5
169.12292	5.2
171.11641	6.1
175.11235	5.3
177.43600	4.7
179.14238	4.9
195.13882	6.8
231.74919	6.2
253.14346	97.0
263.20059	6.2
267.92081	4.7
269.17471	19.2
273.18494	29.8
275.20099	7.7
277.21432	10.9
291.19473	22.8
335.26056	7.5
347.22577	6.8
349.23764	10.2
351.25317	13.3
365.23279	20.6
447.27295	7.3
465.28113	7.9
522.31482	6.1
547.36322	5.6
559.36438	42.1
623.43378	7.3
641.43976	16.0
744.10303	5.7
856.47235	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99699	1.6
65.03936	3.9
67.05502	50.0
68.05850	2.0
69.03432	10.6
69.06720	2.8
69.07071	39.2
69.31750	17.8
71.04981	3.9
71.08620	14.0
79.05491	41.4
81.02987	1.8
81.03411	11.4
81.07053	48.0
83.04975	6.7
83.08612	15.4
85.02916	1.9
85.06564	2.1
89.06024	3.8
90.74146	1.4
91.05477	32.5
93.07040	40.7
95.04961	12.3
95.08598	24.0
97.02892	8.7
97.06541	6.1
97.10166	16.4
99.04403	2.1
99.08115	8.0
105.04513	2.1
105.07030	22.4
105.38123	1.6
107.04961	8.7
107.08597	27.1
109.06523	6.3
109.10176	13.4
110.10400	2.0
111.08089	4.3
115.45129	1.5
117.07009	12.4
119.08571	16.8
121.06509	6.7
121.10149	13.2
123.08071	3.9
123.11685	1.6
125.09633	15.1
126.21458	1.5
127.03915	2.9
129.07010	6.8
131.08572	13.7
133.06538	3.6
133.08562	3.1
133.10107	13.4
133.19693	1.6
135.08041	5.1
135.11684	9.9
137.09592	2.0
139.11150	1.7
143.08537	5.2
145.06410	2.5
145.10086	11.1
147.08049	3.9
147.11710	6.6
149.09634	6.7
149.13293	7.6
151.11169	10.1
157.10143	3.8
159.11699	6.4
161.09697	2.0
161.13277	6.2
163.11220	5.4
165.12793	2.4
167.10709	1.8
171.11644	2.6
175.11230	3.2
175.14822	3.5
177.12747	6.1
179.14284	2.0
189.11214	7.9
195.13860	4.5
205.12273	1.9
208.92819	1.9
223.13301	17.4
227.12794	19.1
245.19130	1.8
249.15117	2.4
253.14371	3.4
254.14764	2.7
257.19263	2.1
259.20688	4.7
267.16049	2.2
269.17511	16.0
273.18509	13.5
275.20026	8.1
277.21634	11.9
291.19556	100.0
292.19739	1.9
293.21106	30.4
296.28543	2.4
313.27502	1.9
315.50089	1.8
347.21890	2.5
349.23828	6.7
351.25317	18.4
365.23242	39.9
367.24747	5.3
535.32507	2.8
541.34845	2.1
559.36285	45.0
623.42560	2.3
641.43927	26.0
659.44238	2.1
763.01465	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	44.3
67.05507	44.7
69.03415	7.0
69.07050	11.4
71.04971	3.1
71.58878	4.5
73.02918	12.1
79.05492	27.2
81.03418	5.9
81.07056	51.6
83.08603	3.5
85.02428	4.7
85.02901	55.6
91.03951	58.4
91.05482	16.2
93.07042	40.7
95.04969	5.3
95.08605	47.5
97.02904	25.1
97.06544	4.1
97.10142	6.4
99.04419	4.8
105.07036	15.4
107.08590	32.6
109.02860	3.2
109.10162	27.0
109.80760	2.9
111.08092	3.5
113.09634	2.5
117.07030	7.1
119.08566	15.3
121.10134	27.9
123.11682	11.9
127.03920	22.4
131.08548	15.2
133.10135	11.4
135.11699	21.9
137.13289	3.8
145.04974	29.7
145.10156	12.2
147.11679	10.0
149.13258	14.2
159.11684	10.6
161.13252	8.1
163.06023	59.8
163.14828	15.7
173.13264	14.2
177.12685	2.7
177.16362	4.5
179.14232	2.9
187.14804	6.2
197.09799	2.6
205.15843	3.5
233.22658	3.7
243.21080	30.7
244.52406	2.8
261.22141	100.0
262.22440	3.0
279.23166	4.0
329.22873	2.8
335.25806	20.0
353.26871	60.4
367.10843	2.5
379.57474	3.1
404.22095	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	856.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	49.5
65.03919	3.6
66.27434	1.8
67.05505	75.3
69.03419	7.3
69.07072	14.3
70.97509	6.1
71.04948	2.5
73.02916	20.3
73.06514	2.1
79.05065	3.5
79.05492	44.8
80.08382	1.9
81.03406	6.7
81.06580	4.3
81.07054	85.3
83.04972	2.4
83.08607	5.8
85.02902	67.6
85.06532	2.7
91.03953	64.9
91.05477	24.6
93.07039	57.9
94.12144	1.9
95.04961	5.0
95.08604	73.7
97.02888	32.3
97.06549	2.9
97.10158	4.3
99.04440	3.4
99.08038	2.8
105.07034	20.0
107.08588	33.1
109.02891	3.0
109.06539	2.7
109.09450	3.8
109.10149	39.3
109.10904	2.5
111.08090	3.2
115.03924	2.7
117.07047	9.5
119.08569	20.8
121.10143	36.8
123.11708	20.2
127.03915	24.5
131.08585	17.5
133.10156	17.3
135.11681	26.3
137.09555	2.3
137.13228	7.5
141.00713	2.0
144.29144	1.9
145.04951	37.1
145.10103	17.3
146.78375	1.9
147.11674	15.4
149.09576	1.9
149.13263	22.6
151.11127	2.2
151.14818	2.4
157.10080	2.0
159.11693	14.2
161.13260	12.2
163.06009	52.4
163.14822	14.1
165.12779	3.2
173.13214	15.7
175.14807	5.2
177.16394	6.1
179.14349	2.8
184.50526	2.1
187.14865	11.4
191.14380	2.6
201.16385	3.3
243.21088	35.2
261.22137	100.0
262.22403	3.3
279.23242	6.0
335.25790	40.6
353.26846	71.4
412.03113	2.1
473.06454	2.2
479.29428	2.2
497.30923	8.7
746.63489	2.4
806.07983	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	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89953	2.3
65.03930	6.4
65.47272	1.9
67.05503	81.9
69.03413	8.8
69.06726	2.2
69.07068	31.2
69.50073	15.8
70.64081	2.0
71.04981	8.6
71.08630	11.9
79.05491	65.1
81.03416	16.5
81.07053	100.0
83.04978	16.4
83.08632	12.6
85.02898	5.0
85.06528	7.3
85.10197	3.5
87.04440	8.2
89.06026	29.0
91.05479	78.2
93.07040	64.1
95.04968	22.0
95.08600	33.5
97.02903	2.8
97.06529	14.9
97.10145	5.4
99.04440	3.1
101.05946	1.9
103.05459	3.3
105.07030	70.4
107.04942	15.7
107.08585	51.1
109.06537	11.5
109.10149	53.1
111.04427	2.8
111.08064	7.3
113.05975	2.4
115.05447	4.4
117.07002	20.0
119.08585	29.8
121.06492	16.8
121.10141	16.8
123.08056	9.4
123.11755	11.0
125.09595	4.1
129.07008	7.5
131.07034	2.9
131.08553	21.3
133.06494	5.1
133.08600	16.5
133.10126	75.9
135.08054	10.2
135.11678	12.3
137.05917	1.9
137.09604	5.2
139.07484	2.4
141.07027	2.2
143.08556	7.2
145.06378	2.5
145.10121	18.1
147.08044	7.6
147.11656	8.5
149.09624	17.1
149.13249	7.1
151.11183	27.6
155.08495	3.1
157.10094	7.0
159.11688	11.0
161.09576	7.3
161.13208	4.1
161.66354	2.1
163.11125	12.7
165.09044	3.2
165.12747	2.3
169.02594	3.3
169.10094	3.9
169.12221	8.3
171.11649	6.8
173.09679	2.4
173.13205	4.1
175.11156	5.0
177.09032	2.5
177.11223	3.1
177.12752	4.6
179.10649	3.3
179.14282	2.9
183.11613	2.2
193.12302	2.1
195.13812	3.3
213.16550	2.0
215.12726	5.4
237.16399	2.3
245.18999	4.1
247.20537	6.0
251.12799	3.9
253.14333	96.5
254.14851	3.8
255.15837	7.6
257.19009	6.5
263.20200	3.0
267.15930	3.1
269.17465	14.9
271.15427	2.7
273.18475	27.1
275.20038	24.1
291.19519	22.7
291.23056	6.3
309.20508	2.9
347.22037	7.6
349.23654	19.1
365.23242	23.9
367.24561	3.3
373.44089	2.1
423.24066	2.0
447.27411	3.4
451.26901	4.5
465.28238	10.3
473.15552	2.3
541.35144	3.6
545.34949	14.5
559.36218	29.8
621.41113	3.2
639.42175	8.5
657.43585	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	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	4.6
67.05504	83.7
69.03437	17.3
69.07069	47.6
70.85028	2.7
70.85377	3.5
71.04987	7.4
73.02912	2.4
76.02211	1.9
78.08794	2.1
79.05016	1.6
79.05491	69.1
81.03418	18.4
81.07055	100.0
82.07405	1.9
83.04992	14.8
83.08619	19.4
85.02893	5.6
85.06537	5.2
89.53807	1.7
90.04535	1.6
91.05482	74.4
92.92667	1.6
93.07045	70.5
94.04206	2.0
95.04967	21.5
95.08612	41.6
97.02878	9.9
97.06532	15.7
97.10169	11.5
99.04435	2.2
99.08102	3.0
103.05476	2.7
105.07030	52.7
106.29991	1.6
107.04962	20.2
107.08589	49.5
109.06519	11.8
109.10159	35.2
111.04402	2.0
111.08067	6.8
115.05458	3.5
116.06211	1.5
117.07006	22.9
117.26083	1.8
119.04922	1.8
119.08578	38.5
121.06536	13.6
121.10141	15.8
123.04503	2.1
123.08083	10.2
123.11708	6.6
125.09617	11.0
127.03931	2.3
128.06232	3.0
129.06993	7.5
130.07814	2.2
131.08577	22.6
133.06496	5.9
133.10130	49.1
135.08043	8.0
135.11676	13.2
137.09570	4.0
143.08548	9.3
145.10124	22.1
147.08069	9.5
147.11699	12.4
149.09616	16.1
149.13237	11.9
151.11188	16.2
155.08481	3.5
157.10089	8.2
159.08083	3.6
159.11684	14.1
161.09602	6.9
161.13251	4.7
163.11186	11.0
169.10115	3.4
169.12280	3.2
171.11690	5.6
173.13278	4.5
175.11215	5.5
177.09140	1.8
177.12769	3.5
179.10716	3.2
179.14323	3.2
181.10210	1.9
183.11815	2.8
185.13194	3.8
187.14830	2.6
189.11209	3.4
193.12315	2.0
195.11858	1.7
195.13802	8.2
205.12256	2.6
223.13339	15.0
227.12700	8.4
245.18987	3.8
249.14801	2.8
253.14319	35.1
255.15886	6.0
257.18973	5.3
263.20093	2.9
269.17456	23.9
271.15521	3.0
273.18491	29.4
275.20105	20.9
291.19537	99.2
297.16788	2.0
309.20679	2.7
330.93359	2.3
347.22238	7.1
349.23828	16.0
365.23260	43.6
367.24771	2.4
447.26877	1.8
449.29425	1.7
527.33472	2.7
541.34839	4.7
545.34680	16.7
559.36322	62.6
560.36725	2.6
639.42493	12.9
657.43359	3.9
707.42853	2.1
854.46429	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	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.7
67.05502	54.3
69.03422	10.1
69.07066	46.4
70.65761	3.1
77.03890	1.3
79.05004	1.5
79.05488	52.7
81.03422	10.4
81.07053	53.4
83.04978	9.1
83.08615	16.0
85.02885	3.6
85.06541	2.9
91.05476	41.7
93.07040	38.4
95.04962	18.0
95.08602	22.8
97.02882	11.3
97.06519	9.8
97.10167	21.1
99.04458	1.5
99.08069	1.4
103.05470	1.0
105.04517	1.3
105.07023	33.0
105.11674	1.0
107.04942	13.6
107.08593	31.0
109.02893	2.3
109.06517	5.9
109.10149	12.2
111.04433	1.7
111.08076	4.1
115.05442	1.8
117.07005	15.6
119.04916	1.4
119.07790	2.2
119.08569	22.6
121.06504	4.3
121.10136	11.0
123.08044	5.1
123.11694	2.6
125.09609	13.3
127.03898	2.1
128.06224	2.5
129.06998	6.3
131.08554	18.0
133.06479	4.6
133.10135	18.4
134.07285	1.7
135.08046	6.8
135.11685	7.3
137.09604	4.1
141.06960	1.7
142.07782	1.5
143.08611	6.5
145.06462	1.4
145.10104	15.6
147.08092	6.5
147.11679	7.8
149.09618	10.5
149.13280	6.3
151.11169	2.1
155.08565	2.2
157.10098	3.7
159.08078	1.9
159.11693	10.1
161.09605	3.6
161.13232	3.6
163.11203	8.3
165.09029	1.5
169.10136	2.6
169.12201	1.4
171.10284	1.6
171.11734	4.1
173.09592	1.1
173.13283	1.7
175.11185	2.3
177.12759	3.5
179.14305	2.4
183.11676	1.8
185.13152	1.8
187.11116	1.9
189.11278	8.3
193.12318	1.5
195.11845	1.5
195.13797	3.1
197.13390	1.4
205.12131	2.1
205.65685	1.2
223.13281	16.6
227.12764	16.8
229.19516	2.3
239.17934	1.8
249.14821	4.1
253.14474	2.0
255.15836	3.0
257.18997	7.0
263.20020	1.8
269.17514	10.2
273.18506	14.5
275.20056	22.5
276.20316	1.3
291.19522	100.0
292.19800	2.4
347.22058	2.1
349.19791	1.7
349.23752	20.2
363.21677	1.2
365.23239	30.4
366.23233	1.5
438.31155	1.1
461.28873	1.5
519.32971	1.5
535.32684	1.6
541.35358	1.6
545.34631	6.0
557.34534	2.6
559.36279	26.2
560.36230	1.6
621.41010	1.9
628.47321	1.7
639.42468	20.4
640.42682	2.2
657.43390	2.8
657.82697	1.2
854.45026	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	15.0
65.03938	4.6
67.05505	100.0
69.03432	6.6
69.06778	1.7
69.07073	19.4
69.65530	2.5
69.65936	8.9
71.01377	2.1
71.04989	6.9
71.14809	1.5
71.72210	1.7
73.02924	8.5
75.23545	1.5
79.05491	38.4
81.03424	16.6
81.07056	72.8
83.01366	1.8
83.04984	9.9
83.08618	21.5
85.02902	28.6
85.06547	4.1
87.04461	4.0
91.03944	12.1
91.05482	27.5
93.07046	43.2
95.04947	9.7
95.08598	23.9
97.02881	13.9
97.06521	9.5
97.10168	13.9
99.04489	1.9
99.08081	3.6
103.03938	3.2
105.07029	11.1
107.04965	6.0
107.08593	29.2
109.02869	1.5
109.06498	2.9
109.10157	48.0
111.08072	9.1
117.07005	9.3
119.08601	11.1
121.06558	3.2
121.10123	13.0
123.08077	3.4
123.11703	5.0
125.09622	13.0
127.03924	5.2
129.05484	6.1
129.07024	2.0
131.08551	9.5
133.10138	12.8
135.08047	2.8
135.11696	9.4
137.09587	3.2
143.10693	2.5
145.05000	4.8
145.10153	5.0
147.07979	2.0
147.11708	5.5
149.09631	2.5
149.13248	10.5
151.11127	2.0
153.12770	3.7
155.10614	2.9
159.11693	6.4
163.06049	5.4
163.11205	7.0
165.12776	2.2
173.09581	2.0
173.11737	18.5
174.87642	1.8
175.11229	3.2
177.12753	4.5
181.12228	3.5
191.10645	2.6
193.12296	5.4
195.13841	12.4
199.13292	8.3
209.11787	7.4
211.13303	4.8
213.14890	3.0
227.12794	8.6
229.14345	49.9
229.16573	3.1
239.16399	3.1
257.13696	1.7
265.14273	1.8
267.15979	14.1
269.17490	55.5
280.05811	1.7
283.15488	7.0
285.16797	1.8
301.16483	18.1
323.18781	2.1
323.85083	1.9
393.26465	2.3
411.27408	4.7
423.27390	39.8
431.27982	4.5
448.33569	1.8
477.28006	3.1
495.22232	3.8
495.29538	79.8
513.30609	25.3
583.09650	2.2
682.38239	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	15.9
65.02099	1.6
65.03941	2.3
67.05503	100.0
69.03422	7.9
69.07069	16.2
69.48373	1.5
70.65236	6.0
71.01375	2.6
71.04990	6.9
73.02910	8.1
79.05057	3.2
79.05493	40.7
81.03419	13.6
81.07057	76.1
83.05002	9.4
83.08615	21.5
85.02905	27.2
85.06538	4.9
87.04470	4.3
91.03958	11.1
91.05475	31.8
93.07040	42.3
95.04977	10.0
95.08611	20.2
97.02869	12.9
97.06518	9.1
97.10183	10.5
99.04443	2.5
105.07034	12.5
107.04984	5.4
107.08583	27.5
109.06522	3.6
109.10151	50.1
111.08089	6.0
115.03908	1.8
117.07011	10.8
119.08586	11.5
121.06495	3.0
121.10178	9.2
123.08050	2.8
123.11703	4.9
125.09624	14.7
127.03934	5.0
129.05490	5.6
131.08563	11.1
133.10159	13.7
134.89220	1.5
135.11707	10.0
137.09584	2.5
143.10605	2.8
145.04936	5.3
145.10132	4.3
147.11700	3.9
149.09621	3.3
149.13264	14.9
151.03619	1.6
151.11102	2.9
153.12782	3.7
155.08479	2.3
155.10683	2.1
159.11699	7.7
163.06032	5.7
163.11237	5.6
165.12715	3.9
173.11745	15.7
177.12775	4.5
189.20151	1.6
191.10677	2.5
193.12263	3.2
195.13808	12.3
199.13289	5.5
203.98232	1.7
209.11740	6.0
213.14674	2.1
219.24330	1.6
227.12788	6.4
229.14343	49.0
239.16396	2.3
257.13882	5.6
267.15878	10.5
269.14499	3.0
269.17477	62.9
283.15414	6.8
297.17114	2.2
297.92667	1.7
301.16479	14.8
393.26331	3.8
411.27399	6.5
423.27466	40.7
437.29642	1.7
477.28238	3.8
495.29532	86.4
513.30536	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.9
63.31295	0.4
67.01866	12.6
67.05471	0.6
68.64420	0.3
68.99770	0.9
69.03084	0.4
69.03427	6.4
71.04979	0.6
71.59457	0.4
73.02893	1.3
73.06535	0.6
73.54235	0.3
76.02232	0.4
79.05503	1.8
81.02983	0.5
81.03415	7.3
81.07037	1.0
81.34186	0.3
83.01363	0.4
84.04485	0.5
85.02901	13.6
85.06556	0.4
87.00831	5.1
91.05480	1.8
93.07024	0.5
95.04951	0.6
97.02893	6.1
99.04441	2.2
101.02346	0.8
103.05451	0.5
105.01859	3.5
105.07046	1.9
107.04951	24.4
107.08595	0.5
109.02126	0.5
109.02872	7.9
109.06508	0.9
116.01600	0.4
117.01891	0.8
119.03411	0.9
119.04925	1.2
119.08595	0.6
121.06493	1.3
122.03633	1.2
125.05984	0.6
127.03912	11.0
129.01869	0.7
130.04948	0.4
131.04893	0.6
133.06497	5.2
135.04414	8.6
135.08000	0.4
137.05972	2.8
142.03198	0.5
143.08546	0.8
145.04947	3.1
145.05943	0.4
145.06430	0.4
147.02948	0.9
147.04378	1.1
149.05960	1.5
150.03145	0.5
151.03957	1.7
153.05453	4.7
159.02910	2.8
161.05994	3.3
161.09633	0.8
163.07526	0.8
165.05469	100.0
166.05789	0.8
167.07079	1.1
171.08035	0.6
173.04486	0.5
174.06769	0.6
176.04584	0.4
177.05501	0.9
179.06999	2.2
187.07491	0.5
189.03473	0.8
189.05469	1.0
189.09093	11.3
191.07014	10.8
203.07011	0.6
207.06454	3.0
207.10173	1.2
213.03940	1.3
215.10745	0.4
219.06451	0.6
219.10065	0.6
221.11717	68.5
222.12154	0.9
231.04848	2.3
231.10092	0.5
245.11736	0.8
247.13298	12.2
271.09818	0.6
273.06006	0.6
283.09631	0.9
285.11200	13.5
285.14325	0.7
309.11417	0.5
309.14880	1.0
327.12369	0.5
329.13953	0.5
339.15967	1.5
341.17548	1.7
369.12012	0.8
383.18466	0.5
401.10941	0.4
413.10745	5.6
469.17059	66.6
470.17429	1.2
533.16553	6.3
533.24493	0.6
557.19849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28438	1.3
67.05173	1.7
67.05505	22.7
69.03427	6.9
69.06715	1.8
69.07068	20.9
71.04988	1.5
73.89830	1.2
79.05498	18.0
79.74618	1.0
81.03396	3.4
81.07056	18.0
82.80045	1.1
83.04969	5.0
83.08627	6.8
85.06560	1.4
91.05484	14.2
93.07050	12.1
95.04969	6.7
95.08600	7.8
97.02892	8.1
97.06538	3.0
97.10178	10.8
98.21543	2.0
103.05431	1.3
105.07031	11.5
107.04977	7.0
107.08591	10.4
109.06502	3.4
109.10150	7.8
111.08051	1.6
117.07014	5.9
119.04906	1.2
119.08572	11.8
121.06487	2.8
121.10134	3.5
123.08055	3.6
125.09621	7.0
129.06993	2.0
131.08545	6.0
133.06485	4.1
133.10109	3.2
135.08061	3.6
135.11594	1.6
137.09592	2.1
143.08566	3.4
145.10127	3.8
147.08052	4.5
147.11656	2.8
149.09641	2.0
149.13234	2.4
157.10117	4.4
159.11647	1.8
161.09641	1.2
162.10402	1.3
163.11197	1.9
165.08887	1.2
175.11134	4.1
177.12624	1.4
181.10077	1.1
185.13202	1.1
189.11227	3.7
205.12259	1.5
223.13290	16.6
227.12784	4.0
242.17622	1.2
249.14819	3.8
273.18484	12.0
291.19540	100.0
292.19632	3.5
347.22235	2.2
365.23236	35.7
385.27316	1.3
557.34814	1.4
575.35260	1.9
604.92139	1.4
637.40656	2.0
655.41974	40.4
754.76434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.1
67.01875	1.8
68.99788	12.3
69.89925	10.3
78.43485	1.5
79.05475	3.6
81.03401	4.8
90.73447	1.7
91.05475	9.2
95.04951	6.4
99.04432	2.7
105.06939	1.9
107.04954	100.0
109.02868	3.6
111.00804	6.1
111.04449	9.9
115.05442	2.9
119.04938	56.6
121.02859	8.9
123.04425	98.3
127.03914	89.9
129.08119	1.6
131.04927	8.2
133.06467	6.5
135.04413	57.6
137.02322	5.2
139.03889	45.4
143.04933	3.1
145.06479	10.9
145.61835	1.8
147.04405	56.9
149.02332	13.2
149.05972	3.5
151.03900	22.7
157.06465	5.4
159.04430	4.7
161.05931	8.8
162.03174	2.6
163.03899	53.0
165.01804	3.0
165.05492	5.3
165.07083	2.0
167.03435	15.0
169.06456	4.5
170.67444	1.5
171.04393	9.1
171.08067	1.7
173.05989	4.3
175.03886	4.9
175.07460	1.8
175.87326	1.6
176.04614	2.1
177.05492	5.3
179.03401	20.1
181.06532	2.8
183.04448	2.0
185.06017	6.3
187.03906	10.4
187.07631	2.6
189.05403	11.5
190.02580	3.9
191.03391	15.8
193.04956	4.9
197.05972	9.1
199.03979	2.2
199.07570	2.1
200.04602	1.8
201.05431	8.5
203.01680	2.5
203.03389	20.2
203.07033	5.8
205.04948	3.5
207.06609	2.0
213.05478	8.7
215.03380	13.8
215.07007	5.3
216.04164	5.9
217.04926	4.1
223.02364	5.7
225.05479	4.5
227.07071	5.8
229.04893	15.3
229.30730	1.7
231.02898	4.7
231.06526	37.1
232.03638	2.8
233.04433	7.3
239.06978	6.2
241.04852	6.2
242.05740	2.0
243.02843	5.8
243.06546	20.3
244.03665	18.3
245.04462	46.4
245.08116	4.1
247.06006	58.3
253.04950	3.7
255.06549	16.4
257.04449	24.1
257.08002	3.4
258.05176	3.2
259.06030	5.3
265.04993	2.4
267.06543	21.5
269.04346	9.3
271.05981	28.6
272.06296	2.5
273.04251	3.7
273.07520	31.8
274.04733	26.7
275.05435	16.9
279.06549	4.6
281.04486	2.5
283.06015	3.9
285.03903	18.8
285.07541	19.0
286.04651	5.9
287.05475	31.6
289.07037	15.5
291.08673	21.2
295.05930	4.3
297.04019	6.8
297.07642	5.2
299.05481	8.8
301.07034	2.4
303.05103	9.1
307.06125	5.2
309.03854	3.8
311.05521	3.1
313.06992	2.2
315.05374	3.1
315.08630	2.7
321.07495	1.9
325.06995	3.1
327.05524	1.8
337.07285	2.0
339.05099	2.5
345.07596	6.4
347.08917	2.5
349.07065	4.5
351.05014	4.7
363.08789	8.5
367.08179	4.7
373.07086	4.9
375.08640	3.1
379.07993	4.3
381.09747	2.1
389.10175	2.9
391.08118	58.1
392.08310	2.7
393.05838	4.3
393.09964	29.7
395.11340	4.0
396.08054	2.6
403.08087	18.0
405.05527	8.6
407.07251	2.3
409.09149	22.2
410.09372	2.5
411.10556	10.4
415.07993	3.4
417.09839	4.2
419.07306	2.9
421.09186	29.4
427.10016	4.5
433.09058	6.5
435.10980	3.7
439.10278	2.2
501.11670	5.3
511.09937	3.0
525.11603	4.6
527.09882	2.3
529.10938	3.6
536.47021	2.0
545.10596	6.6
557.10522	2.1
561.13324	2.1
563.15448	4.1
615.75677	1.8
649.37885	1.9
681.15906	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	851.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10414	1.6
65.03931	4.8
66.05103	2.0
66.84993	1.7
67.05495	3.0
68.60374	1.8
68.99796	14.5
69.09362	1.8
69.37504	17.1
70.06573	2.2
77.03927	2.5
79.05475	2.6
80.51682	1.9
81.03412	4.0
83.04987	1.8
85.02897	3.1
91.05500	9.8
95.04961	10.5
103.05512	2.0
105.07029	2.4
107.04952	100.0
108.05319	2.2
109.02887	3.7
111.00803	10.4
111.04440	7.6
115.05458	4.2
119.04946	57.7
121.02872	7.5
123.04423	66.3
127.03915	77.9
131.04968	3.8
132.58978	1.7
133.06494	5.6
135.04414	49.2
137.02330	4.1
137.05948	4.0
139.03897	69.6
144.99223	1.7
145.02811	2.2
145.06468	9.3
147.04413	48.5
149.02344	11.8
149.05907	3.9
151.03903	20.8
155.04945	2.5
157.06506	5.8
159.04451	3.9
161.05977	12.3
163.03905	59.7
165.05498	5.2
167.03412	16.3
169.04999	2.4
169.06439	2.7
171.04373	9.0
171.08034	1.8
173.05968	5.4
175.03963	2.7
175.07684	1.9
177.05453	11.4
179.03392	12.8
181.06557	3.3
185.06013	8.1
187.03920	9.4
187.07471	2.6
189.05470	10.6
191.03395	13.7
192.37216	1.9
193.05003	3.2
197.06001	5.5
199.07616	4.4
201.05478	9.0
203.03369	16.3
203.07051	5.1
205.04973	3.4
207.06470	2.8
213.05548	8.5
215.03354	6.0
215.07060	5.1
217.05009	3.3
223.02243	2.6
225.05370	2.2
227.07069	3.3
229.04965	13.4
231.06512	49.0
233.02400	1.8
233.04382	9.4
237.05452	2.0
241.04984	4.3
243.02895	2.4
243.06583	10.3
244.03593	1.9
245.04437	68.2
245.08228	3.7
247.06021	26.2
251.05553	2.2
253.04971	4.1
255.06557	14.3
257.04449	24.1
258.05194	1.9
259.06027	11.7
260.06699	2.1
261.07660	2.3
265.04993	2.6
267.06500	3.3
269.04437	5.8
271.06006	20.9
273.07645	23.5
274.04636	5.8
275.05502	26.8
275.08691	2.3
279.06461	3.3
283.05988	17.5
285.04126	4.3
285.07242	3.3
286.04623	2.1
287.05469	28.1
289.07080	24.5
291.08621	21.8
295.05890	3.5
297.03934	3.4
297.37292	1.9
299.05505	10.8
301.07007	15.7
303.08920	1.7
307.06238	2.2
309.04108	3.4
313.07065	1.9
323.05328	3.2
327.04947	2.4
345.07455	2.1
351.05020	3.7
361.07132	5.4
363.08875	2.5
375.08652	3.4
379.08093	4.8
381.09610	7.1
383.07629	4.3
385.49429	1.8
389.06595	3.7
391.08072	5.3
393.05927	3.1
393.09943	15.5
395.07635	2.9
403.08215	2.6
405.05954	6.5
407.07516	24.5
407.12152	1.3
409.09097	23.1
411.10934	6.4
419.07559	5.3
421.09213	8.2
425.08530	10.0
427.10208	16.0
433.09140	2.7
435.10901	3.3
437.08652	9.5
439.09995	2.7
519.13013	2.3
527.09930	2.0
545.10651	6.8
555.12708	2.6
579.15771	2.2
681.16364	2.4
697.14594	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	851.217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.7
68.99786	13.8
70.93606	4.4
77.03946	1.6
79.05492	1.9
81.03417	3.6
82.03466	1.5
85.02897	3.4
91.05470	8.8
95.04971	9.6
103.05486	1.5
107.04951	100.0
109.02872	3.7
111.00803	14.1
111.03708	1.6
111.04433	6.0
115.05506	1.6
117.03360	2.3
119.04940	56.0
121.02876	7.7
123.04426	70.6
127.03911	67.3
131.04900	4.1
133.06522	6.9
135.04414	46.6
137.02333	4.0
137.06053	1.6
139.03897	62.9
141.06924	1.7
145.02896	1.5
145.06454	9.0
147.04395	50.6
149.02350	13.4
149.05907	1.7
151.03888	23.2
157.06473	6.9
159.04469	3.3
161.05945	7.8
163.02534	3.2
163.03900	56.8
165.01797	2.9
165.05511	8.2
165.06773	1.8
167.03386	15.4
169.05011	3.6
169.06516	4.2
171.04379	9.4
173.05893	3.9
175.03893	5.6
177.05452	11.1
179.03348	12.2
181.04994	2.9
181.06537	4.8
183.04408	2.1
185.05959	8.0
187.03947	5.5
187.07600	3.4
189.05534	8.1
191.03357	18.9
193.04976	2.2
197.05980	4.3
199.07532	5.0
200.13734	1.6
201.05467	6.4
203.03369	19.0
203.07039	4.7
205.04889	3.1
207.06470	2.6
213.05446	10.4
215.03317	6.8
215.07051	4.3
217.04906	3.4
219.02802	1.5
223.02388	3.1
225.05673	1.7
227.03444	1.9
227.07062	5.8
229.04933	9.8
231.06505	66.2
233.04402	7.2
237.05409	2.6
241.04950	3.6
243.06447	7.5
244.03563	1.7
245.04439	88.8
245.08148	4.6
246.04790	3.7
247.06021	19.8
251.05487	2.5
253.04929	3.5
255.06512	18.5
257.04443	24.2
258.05209	2.4
259.05988	15.1
263.05450	2.1
265.04898	2.7
267.06519	5.2
267.26514	1.5
269.04596	7.4
271.05981	22.6
273.07520	24.1
274.04724	4.9
275.05463	37.4
279.06372	1.9
281.04428	3.4
283.05914	15.1
285.04053	3.5
285.07397	2.6
286.04681	1.9
287.05511	26.5
288.05972	1.8
289.07083	25.6
291.05774	1.9
291.08664	22.8
295.05984	4.7
297.04028	4.3
297.07449	3.1
299.05466	9.9
301.07053	16.1
303.05258	1.9
303.08667	3.4
307.05783	2.9
309.03900	3.3
311.05542	3.4
313.06924	1.9
323.05478	4.5
329.06625	2.9
333.07544	2.0
351.05014	3.6
361.07056	3.6
363.08487	2.3
365.06635	2.4
375.08618	2.1
377.06680	2.6
379.08069	5.5
381.09668	11.1
383.07541	4.5
389.05914	2.0
389.10507	2.3
391.08087	6.3
393.05600	4.1
393.09885	15.3
395.07587	3.4
403.08191	3.6
405.06140	7.1
407.07547	34.1
407.12479	2.1
409.09106	30.8
411.10858	8.1
417.09628	4.9
419.07547	6.1
421.09100	5.9
425.08505	13.1
427.10281	17.5
433.08942	2.3
435.10696	7.7
437.08600	14.2
439.09967	3.4
449.08890	4.0
451.10220	2.7
453.11905	1.8
501.11719	3.6
511.09872	3.4
513.11749	2.2
527.09369	2.5
543.12518	2.0
545.10962	8.3
555.12701	5.6
561.13776	2.4
573.14014	2.6
579.14819	4.3
681.15527	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	851.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10414	1.6
65.03931	4.8
66.05103	2.0
66.84993	1.7
67.05495	3.0
68.60374	1.8
68.99796	14.5
69.09362	1.8
69.37504	17.1
70.06573	2.2
77.03927	2.5
79.05475	2.6
80.51682	1.9
81.03412	4.0
83.04987	1.8
85.02897	3.1
91.05500	9.8
95.04961	10.5
103.05512	2.0
105.07029	2.4
107.04952	100.0
108.05319	2.2
109.02887	3.7
111.00803	10.4
111.04440	7.6
115.05458	4.2
119.04946	57.7
121.02872	7.5
123.04423	66.3
127.03915	77.9
131.04968	3.8
132.58978	1.7
133.06494	5.6
135.04414	49.2
137.02330	4.1
137.05948	4.0
139.03897	69.6
144.99223	1.7
145.02811	2.2
145.06468	9.3
147.04413	48.5
149.02344	11.8
149.05907	3.9
151.03903	20.8
155.04945	2.5
157.06506	5.8
159.04451	3.9
161.05977	12.3
163.03905	59.7
165.05498	5.2
167.03412	16.3
169.04999	2.4
169.06439	2.7
171.04373	9.0
171.08034	1.8
173.05968	5.4
175.03963	2.7
175.07684	1.9
177.05453	11.4
179.03392	12.8
181.06557	3.3
185.06013	8.1
187.03920	9.4
187.07471	2.6
189.05470	10.6
191.03395	13.7
192.37216	1.9
193.05003	3.2
197.06001	5.5
199.07616	4.4
201.05478	9.0
203.03369	16.3
203.07051	5.1
205.04973	3.4
207.06470	2.8
213.05548	8.5
215.03354	6.0
215.07060	5.1
217.05009	3.3
223.02243	2.6
225.05370	2.2
227.07069	3.3
229.04965	13.4
231.06512	49.0
233.02400	1.8
233.04382	9.4
237.05452	2.0
241.04984	4.3
243.02895	2.4
243.06583	10.3
244.03593	1.9
245.04437	68.2
245.08228	3.7
247.06021	26.2
251.05553	2.2
253.04971	4.1
255.06557	14.3
257.04449	24.1
258.05194	1.9
259.06027	11.7
260.06699	2.1
261.07660	2.3
265.04993	2.6
267.06500	3.3
269.04437	5.8
271.06006	20.9
273.07645	23.5
274.04636	5.8
275.05502	26.8
275.08691	2.3
279.06461	3.3
283.05988	17.5
285.04126	4.3
285.07242	3.3
286.04623	2.1
287.05469	28.1
289.07080	24.5
291.08621	21.8
295.05890	3.5
297.03934	3.4
297.37292	1.9
299.05505	10.8
301.07007	15.7
303.08920	1.7
307.06238	2.2
309.04108	3.4
313.07065	1.9
323.05328	3.2
327.04947	2.4
345.07455	2.1
351.05020	3.7
361.07132	5.4
363.08875	2.5
375.08652	3.4
379.08093	4.8
381.09610	7.1
383.07629	4.3
385.49429	1.8
389.06595	3.7
391.08072	5.3
393.05927	3.1
393.09943	15.5
395.07635	2.9
403.08215	2.6
405.05954	6.5
407.07516	24.5
407.12152	1.3
409.09097	23.1
411.10934	6.4
419.07559	5.3
421.09213	8.2
425.08530	10.0
427.10208	16.0
433.09140	2.7
435.10901	3.3
437.08652	9.5
439.09995	2.7
519.13013	2.3
527.09930	2.0
545.10651	6.8
555.12708	2.6
579.15771	2.2
681.16364	2.4
697.14594	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	850.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	3.1
60.32132	0.8
61.02925	10.5
65.03932	1.7
67.05503	99.1
68.05828	1.3
69.03431	3.6
69.07069	14.3
71.04980	3.4
71.08619	2.7
71.51195	1.6
73.00642	0.8
73.02911	3.3
79.05483	8.8
81.03382	0.8
81.07055	44.4
83.04988	1.3
83.08610	13.6
85.02908	11.8
85.06542	2.3
85.10170	1.8
91.03945	6.7
91.05476	10.5
93.07037	10.4
95.08603	34.1
97.02881	7.8
97.06502	1.8
97.10182	4.8
99.04374	0.9
99.08100	1.3
105.07007	4.6
107.08600	7.5
109.10154	77.2
111.08082	3.7
113.00036	2.2
119.08582	9.6
121.10130	4.6
123.11678	4.1
125.09678	1.3
127.03857	4.1
133.10132	4.7
135.11728	1.8
137.09633	3.3
137.13254	1.5
145.04950	2.4
147.11678	3.4
149.13264	2.0
155.10684	4.2
161.13274	2.6
163.06012	3.8
163.14764	1.7
169.02643	1.7
173.11736	20.6
227.12755	1.0
229.14348	98.4
230.14645	1.4
245.22638	3.3
263.23657	5.6
285.21454	1.0
313.27271	4.5
314.27686	3.4
337.27359	78.4
338.27588	2.2
473.36182	1.4
491.37311	100.0
492.37747	2.8
509.38324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	2.1
61.02919	9.4
63.49863	1.2
65.03936	2.1
67.05502	80.6
69.03417	2.5
69.07066	12.0
69.55676	1.0
71.04984	1.7
71.08611	4.8
73.02891	3.0
79.05479	7.6
81.07054	32.0
82.24661	1.1
83.08620	11.6
85.02908	11.2
85.06543	2.5
85.10188	2.2
91.03952	7.0
91.05480	9.5
93.07040	9.3
95.08601	29.6
97.02862	5.7
97.06525	2.6
97.10165	3.9
98.20783	2.3
99.08084	1.2
105.07015	3.2
107.08595	6.0
109.10153	66.3
110.10457	1.6
111.08072	4.1
113.00020	5.1
119.08577	8.2
121.10122	4.5
123.08066	1.0
123.11700	3.2
127.03908	2.4
133.10123	2.4
135.11688	2.1
137.09590	3.4
145.04941	3.9
147.11613	1.4
155.10683	3.0
161.13290	1.9
163.06015	4.1
169.02599	7.9
173.11742	19.5
175.14821	1.2
227.12820	2.6
229.14343	100.0
245.22586	1.8
263.23715	4.7
313.27374	12.9
314.27756	12.3
326.88657	1.1
337.27338	61.2
338.27670	1.4
415.25040	1.5
426.87979	1.3
491.37286	52.5
509.38361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05062	0.5
60.23444	0.4
67.05505	5.1
69.07073	4.4
69.77090	3.0
71.04982	0.5
71.08633	17.1
79.05487	0.7
81.07056	7.3
83.08617	5.2
83.39008	0.5
85.10182	9.7
89.06021	1.5
93.07046	0.7
93.92721	0.5
95.08608	11.3
97.10181	2.8
98.20827	0.7
103.07589	1.1
109.10163	5.1
113.00019	26.3
117.09154	0.6
123.11692	1.7
137.13271	0.6
140.68358	0.5
169.02617	31.7
183.49478	0.5
187.03706	1.1
187.26183	0.5
194.56546	0.5
239.23752	1.4
247.85951	0.5
257.24811	1.4
313.27371	100.0
314.27713	2.2
357.94791	0.5
372.86816	0.6
407.25467	4.5
787.69843	0.5
849.52802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	3.1
61.02927	9.2
65.03928	2.7
67.05502	75.8
68.05830	0.9
69.03419	2.0
69.07053	5.4
71.04987	3.1
73.02917	3.1
79.05065	0.9
79.05489	13.8
81.03403	2.0
81.07053	28.9
83.04955	1.2
83.08213	0.6
83.08624	6.8
85.02429	0.9
85.02905	13.4
85.06526	2.5
91.03957	8.0
91.05480	12.7
93.07036	20.8
95.04957	2.1
95.08604	21.5
96.08945	0.7
97.02889	7.3
97.06505	1.2
97.10144	2.0
99.08075	1.0
105.07018	6.1
107.08591	13.3
109.06535	0.7
109.10151	64.4
110.10500	1.2
111.08064	2.2
115.28812	0.6
117.06996	2.6
119.08575	9.5
121.10147	9.0
123.08065	0.7
123.11713	4.4
125.09654	1.6
127.03938	3.6
127.11109	0.7
131.08562	4.7
133.10143	5.1
135.11702	6.5
137.09607	3.6
143.08525	0.7
144.06548	0.8
145.04944	4.5
145.10135	3.2
147.11664	2.7
149.13219	3.4
155.10593	3.7
159.11678	3.0
161.13234	3.3
163.05988	5.3
163.14841	2.4
173.11768	21.3
173.13237	3.4
175.14798	1.1
176.70332	0.6
177.16412	0.8
187.14815	2.3
189.11272	1.4
201.16563	0.7
227.12730	5.4
229.14339	100.0
229.92093	0.8
230.14609	1.8
243.21072	5.8
243.48283	0.6
261.22144	18.7
279.23138	0.8
317.24655	3.4
335.25784	68.0
336.26178	3.4
379.29944	1.5
397.30878	2.0
415.31903	2.5
433.33273	0.8
471.34805	1.9
489.35712	43.8
490.36111	3.1
507.36707	5.7
508.37408	0.8
540.38300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	3.3
61.02926	11.8
61.62980	0.7
65.03950	2.4
65.32027	0.7
67.05503	100.0
68.05845	1.3
69.03432	2.4
69.07066	9.7
69.46099	6.3
69.47545	0.7
71.05003	2.9
73.02926	3.8
74.21863	0.7
79.05490	23.6
81.03432	1.4
81.07055	41.4
83.08618	9.0
85.02900	13.8
85.06555	2.4
86.09708	1.3
91.03955	8.5
91.05479	13.8
91.06008	1.0
93.07043	26.6
95.04980	2.9
95.08605	25.2
97.02891	9.1
97.06517	1.7
97.10174	2.4
98.21452	1.2
99.04459	1.2
99.08099	1.2
105.07022	8.2
107.08593	14.6
109.06505	1.3
109.10153	72.9
109.99529	0.9
110.10528	1.0
110.71097	0.8
111.08106	2.8
115.03981	0.8
117.07041	3.1
119.08577	12.1
119.09369	1.2
121.10150	12.8
123.11723	3.2
125.00047	1.0
125.09624	1.2
127.03944	3.0
127.11224	0.9
131.08554	6.3
133.10149	6.3
135.11708	8.5
137.09639	2.9
145.04958	3.4
145.10133	5.1
147.11690	4.4
148.56134	0.8
149.09708	1.0
149.13272	5.2
155.10654	3.4
159.11662	4.0
161.13278	3.4
163.06102	2.5
163.14873	2.0
173.11761	21.1
173.13272	3.2
175.14903	1.0
177.16423	0.9
184.07388	2.8
186.46994	0.7
187.14732	0.9
189.11307	1.3
197.13344	0.8
227.12781	4.7
229.14349	75.3
230.14789	1.0
243.21037	4.5
261.22137	17.4
261.24835	1.1
317.21570	0.7
317.24796	4.4
335.25787	61.3
336.26059	1.8
379.30261	0.9
415.32083	1.0
471.34869	1.2
489.35724	63.8
490.36411	1.8
507.36823	3.6
766.68195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	8.6
65.03948	7.4
67.05504	83.9
69.03419	9.9
69.07067	33.4
69.67216	49.7
70.14369	7.4
71.04999	11.0
79.05502	81.7
81.03406	11.1
81.07056	100.0
83.04972	17.2
83.08611	27.7
85.02911	11.2
85.06518	7.0
91.05478	94.7
93.07050	81.2
95.04977	20.2
95.08604	61.3
97.06548	17.9
97.10168	12.5
105.07034	78.3
107.04930	12.3
107.08572	57.3
109.06484	9.9
109.10155	21.1
111.08136	10.3
117.07021	42.3
119.08562	62.1
121.10130	39.3
123.08121	8.1
123.11735	10.4
129.07033	22.1
131.08575	44.6
133.10155	37.4
135.07912	7.5
135.11700	24.8
143.08551	23.7
145.10100	44.4
147.11673	28.8
149.09653	9.5
149.13251	11.9
155.08578	15.7
157.10149	29.5
159.11684	28.9
161.13251	22.1
169.10117	18.3
171.11737	17.1
173.13260	18.3
175.14841	9.1
179.22951	7.5
183.11726	16.5
185.13269	10.4
187.14745	9.2
197.13211	7.8
199.14821	9.8
211.14728	9.1
213.16348	8.8
241.19528	13.3
257.18945	8.6
259.20511	35.4
261.22296	8.2
269.17590	18.7
275.20093	20.8
333.24344	39.8
349.23792	14.0
407.17239	7.7
459.57446	7.0
513.35834	25.8
515.37762	10.7
527.37299	35.6
607.43384	26.2
625.44324	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	838.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	4.9
60.63141	2.7
61.02913	3.3
61.11959	3.1
62.05746	2.9
67.05171	5.5
67.05502	80.3
68.07257	3.4
69.03400	7.3
69.07070	18.9
70.51669	10.9
71.05000	6.8
75.36093	3.2
79.05491	32.3
79.72751	3.0
79.75353	2.7
81.03412	100.0
81.07056	44.9
83.04976	13.4
83.08620	25.1
85.02895	12.5
87.04464	5.2
91.05489	37.7
93.07030	26.4
95.04961	30.7
95.08603	24.9
96.53893	3.2
97.02919	4.5
97.06527	3.8
97.10149	14.4
105.07028	22.4
107.04967	13.4
107.08584	15.0
109.06506	10.8
109.10153	54.8
111.04429	3.6
111.08074	10.5
111.61951	3.1
117.07015	9.4
119.08577	23.8
121.06525	9.2
121.10138	8.6
123.04446	3.0
123.08051	5.6
125.09631	12.1
129.06998	12.9
130.99478	3.0
131.08577	16.4
133.06436	3.6
133.10129	7.1
135.08029	3.4
135.11737	8.1
137.09624	5.0
145.10138	6.1
147.04413	5.6
147.08141	3.8
147.11696	8.7
147.44302	3.5
149.02344	3.7
149.09595	7.9
157.10132	11.8
163.11166	7.3
173.11739	11.6
173.13148	3.0
175.11201	8.3
181.12236	4.4
189.11230	7.4
193.12215	27.3
205.12289	3.7
209.11723	4.8
211.13280	9.2
213.12762	4.4
227.12845	14.1
229.14313	38.5
249.14851	5.2
259.13297	5.0
267.15897	74.0
273.18362	4.8
283.15427	6.9
289.18051	4.9
301.16486	6.1
383.22293	8.2
385.23761	4.8
399.23676	14.8
401.23444	5.0
421.26172	15.6
430.04282	3.2
458.26669	9.2
459.27106	5.7
475.26984	7.5
476.27609	9.4
493.27771	4.3
495.35370	3.7
518.31757	4.0
591.35309	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	832.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.2
67.05509	7.4
69.07060	2.5
69.49906	0.9
70.17612	4.3
73.74851	1.0
75.99548	1.7
79.05492	3.1
81.07067	7.0
83.08620	1.5
88.04002	0.8
90.01086	1.4
91.05495	4.5
93.07017	1.8
95.08607	5.5
98.20841	1.7
106.06527	1.3
107.04961	1.3
107.08607	1.2
109.10155	2.4
111.59444	1.2
113.00011	7.1
117.02171	19.7
118.06551	1.8
129.07048	1.1
130.39886	0.9
134.09630	0.9
141.06967	3.4
144.35452	1.1
145.05278	22.5
147.75476	0.9
154.07799	13.0
160.11337	0.9
167.02385	0.9
169.02591	5.4
169.10115	15.6
171.03220	18.0
190.12209	1.1
192.94862	0.9
197.09624	87.8
198.09996	1.1
200.05838	4.1
230.15379	1.2
272.20056	2.1
334.23804	7.2
334.75488	0.9
337.27362	28.5
384.14728	100.0
592.77673	1.1
675.77264	1.0
675.88538	1.1
685.23309	1.0
832.55658	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	826.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.6
61.02922	9.9
65.03918	1.3
67.05502	64.1
69.03431	1.5
69.07068	5.4
71.04987	2.3
71.05412	2.4
71.08630	15.0
71.55048	0.8
73.02926	2.2
81.07057	13.4
81.11629	0.8
83.08617	9.5
83.95200	0.8
85.02904	12.4
85.06546	2.0
85.10169	9.8
89.06015	2.0
91.03949	6.5
91.05477	3.1
92.46200	0.9
93.07051	2.6
95.08607	14.1
97.02897	5.4
97.10179	3.7
99.04412	1.1
107.08579	1.1
108.74104	0.9
109.10152	64.9
111.08080	2.5
111.11739	1.0
119.08597	4.3
123.11724	1.9
127.03912	3.1
137.09628	3.4
137.13190	1.1
145.04948	3.1
154.13443	0.9
155.10666	2.7
163.06023	3.7
169.95758	0.8
173.11731	20.1
184.07335	1.0
192.24184	0.8
229.14348	100.0
230.14934	1.0
239.23709	2.1
257.24924	1.1
313.27359	78.9
314.27713	2.0
419.01675	1.0
467.37311	64.4
468.37424	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	3.6
61.02923	9.3
67.05500	52.4
69.07071	6.0
70.66199	3.9
71.04993	3.4
71.08619	15.9
73.02895	3.1
76.57692	1.4
79.05528	1.7
81.07042	12.9
83.08600	7.5
85.02906	11.3
85.10179	10.5
91.03948	8.9
91.05461	3.6
93.07031	3.0
95.08604	14.0
97.02893	6.4
97.10169	4.8
99.11715	2.1
109.10155	56.3
111.08084	3.2
119.08569	5.5
121.16145	1.6
123.11722	2.4
145.04999	3.2
155.10606	1.8
163.06047	3.9
173.11688	14.9
184.07353	2.2
215.28552	2.0
229.14339	77.1
257.94531	1.5
265.58813	1.8
313.27350	81.2
314.27615	2.9
405.14966	1.9
413.17517	1.8
467.37338	100.0
468.37552	2.7
585.53265	1.6
746.03992	2.2
857.99121	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98000	6.0
66.76669	5.3
67.05508	83.4
67.18704	5.6
69.07066	30.1
71.33485	12.1
79.05498	50.5
81.03426	8.9
81.07059	94.6
83.05056	6.2
83.08599	14.0
85.02917	7.0
85.06598	7.0
91.05483	47.9
93.07047	81.0
94.87273	7.0
95.04955	16.1
95.08614	63.6
97.02943	7.9
97.06511	11.7
101.56647	7.5
105.07024	43.8
107.08591	44.3
109.10118	23.0
117.07050	21.8
119.08574	31.1
121.10158	25.8
123.08055	7.5
123.11691	7.9
131.08566	22.2
133.10143	30.4
135.11693	23.8
145.10107	20.1
147.11766	9.6
149.09637	8.0
149.13246	12.7
158.77017	7.5
159.11742	14.9
173.13295	8.9
177.12668	7.5
181.32530	6.3
216.71617	6.4
244.14371	7.0
255.15871	10.8
261.22223	10.7
269.17468	22.3
275.20071	26.9
302.90912	6.3
335.25830	100.0
349.23578	21.7
482.16238	8.2
515.37097	23.6
529.38965	68.2
569.41895	11.4
609.44653	25.1
832.15009	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	824.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13613	0.8
65.03934	3.9
67.05500	2.0
69.03426	2.6
69.97661	5.2
71.05002	1.2
75.04490	1.9
78.04696	2.4
79.05499	4.4
81.03403	3.0
81.07021	1.4
81.88077	0.9
85.02904	6.9
91.05483	9.8
93.03419	7.4
93.07041	3.1
95.04959	6.6
97.02885	2.8
97.06516	2.1
103.05464	15.5
105.03391	1.4
105.07038	7.3
106.04173	16.0
107.04968	7.6
109.06512	2.0
110.03661	1.9
111.04424	1.8
114.33456	1.2
115.05465	3.8
117.07014	4.3
118.04175	4.6
119.04914	1.9
119.08601	1.7
121.02853	1.3
121.06505	20.3
123.04454	5.1
124.05202	2.4
125.05967	6.0
127.03946	1.4
128.06151	1.1
131.04927	14.6
131.08527	1.5
133.06487	6.5
134.03600	2.6
135.04413	4.3
135.08087	2.0
137.05956	4.9
139.03889	1.3
139.07544	1.6
141.06985	1.3
142.02637	1.3
144.05681	1.6
145.02899	0.9
145.06506	4.9
147.04468	2.2
147.48700	1.1
148.05179	9.7
149.05978	30.6
149.07120	2.1
151.03882	2.3
151.07582	2.8
153.05487	2.5
153.09079	7.6
159.08072	2.0
161.05989	8.4
163.03905	2.7
163.07547	19.4
167.07045	45.0
171.06541	4.3
173.05986	4.2
175.07549	3.3
176.04657	2.3
177.05489	17.6
181.04964	54.8
181.08545	16.8
182.05289	1.3
187.07544	3.4
189.05516	1.8
191.07033	63.9
191.10603	2.4
192.07616	1.0
193.08588	4.4
195.06503	4.1
203.07004	2.8
205.08655	3.9
207.06514	1.7
207.10176	1.1
209.08090	100.0
217.08525	2.7
219.10141	4.3
221.08000	1.7
231.06511	1.3
233.08125	4.1
235.07542	2.1
235.09694	4.5
242.85054	1.1
245.08086	1.5
257.08084	2.9
263.09140	16.5
267.10193	3.0
295.09711	1.6
325.10626	2.9
339.12192	1.2
344.12775	1.1
357.13354	3.9
367.11737	1.7
371.14926	1.3
385.12848	6.5
399.14261	2.2
417.15378	16.4
440.35440	1.0
561.89954	1.1
794.98743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.0
61.02924	5.8
61.73415	0.8
65.03923	1.8
67.05505	27.8
69.03415	2.4
69.07067	10.4
71.04987	2.6
71.58996	1.6
73.02894	2.4
79.05497	18.6
79.05945	0.8
81.03425	5.0
81.07056	37.3
83.04974	3.5
83.08224	0.9
83.08635	9.3
85.02903	6.3
85.06542	1.9
91.03983	4.4
91.05470	10.3
93.07041	25.8
93.07625	1.6
95.04976	4.0
95.08610	11.0
97.02891	3.8
97.06564	4.4
97.10172	2.4
105.07024	8.1
107.04908	0.9
107.08592	16.5
109.06510	3.0
109.10155	3.4
111.08077	2.7
117.07026	5.4
118.06516	1.1
119.08548	4.5
121.06483	2.5
121.10150	7.6
123.08072	0.9
123.11732	1.4
125.09609	2.0
127.03923	1.2
129.06995	2.7
129.34537	0.8
130.05005	0.9
131.08568	7.3
133.10138	7.9
135.08052	1.6
135.11693	4.7
143.08557	2.1
145.10153	2.0
147.11649	1.1
149.13252	9.9
157.10190	1.5
159.11655	5.8
163.06049	1.6
171.11728	1.2
177.12701	3.0
183.11655	0.9
195.13803	4.6
197.13144	1.2
213.14671	1.1
229.14302	1.5
251.16545	1.6
267.15894	3.3
269.17465	22.7
291.19821	1.0
292.19125	1.2
353.24637	1.9
445.29504	13.9
457.62817	0.9
463.30539	100.0
464.30826	4.3
481.31436	1.2
557.34576	2.9
575.35645	1.4
607.34485	6.2
822.48267	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	823.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	72.2
65.03931	1.2
67.05503	30.6
69.03428	25.7
69.07067	12.7
71.01349	2.9
71.04987	4.5
71.08615	1.5
71.20525	1.2
73.02917	22.1
75.04466	1.9
79.05489	12.3
81.03415	21.6
81.06578	1.6
81.07055	33.8
83.01347	1.3
83.04972	3.8
83.08618	7.9
85.02901	100.0
85.06535	1.2
85.10195	1.0
87.04464	2.3
91.03952	48.5
91.05473	9.4
93.07038	12.4
95.04958	3.0
95.08603	24.5
97.02890	69.4
97.06525	2.9
97.10143	4.4
98.03223	1.0
99.04453	13.6
99.08091	1.3
101.02368	5.2
101.60025	0.7
103.03941	10.9
105.07011	8.0
107.04942	1.4
107.08598	7.2
109.02872	13.3
109.06538	1.3
109.10152	10.8
111.04428	2.0
111.08067	1.7
113.09612	1.1
115.03935	6.7
117.05492	2.3
117.07013	1.3
119.08567	5.2
121.06474	1.2
121.10154	7.1
123.04443	1.0
123.08060	0.9
123.11696	5.8
125.09589	1.1
127.03913	34.6
129.05496	3.9
129.07079	0.9
131.08588	2.2
133.10109	5.9
133.11035	0.9
135.11671	4.4
137.05978	1.1
137.09584	1.3
137.13263	1.9
143.08565	1.2
145.04959	26.8
145.10118	1.6
147.11664	4.7
149.13303	2.7
151.14798	2.3
153.12772	1.1
159.06583	2.6
159.11659	1.1
161.13268	4.1
163.06027	15.8
163.11221	0.9
163.14777	3.1
165.16359	1.4
169.10231	0.9
171.06535	2.6
171.11775	0.9
173.13292	1.0
175.14841	2.8
177.16408	1.0
179.14371	1.2
183.06519	10.7
189.16342	1.5
201.07587	8.4
201.16324	1.0
219.08681	1.6
243.20956	1.0
245.22626	7.2
259.20486	0.9
261.22250	1.4
263.23691	14.7
275.23651	1.6
279.23322	1.3
287.23703	1.5
305.24759	3.0
317.24704	1.4
319.26370	1.0
324.27405	0.8
329.24850	1.8
335.25797	1.4
337.27353	61.8
338.27875	1.7
343.26318	1.2
347.25687	1.9
353.24667	2.1
365.26874	3.4
371.25705	4.9
379.28302	3.6
389.26672	1.6
395.28073	1.3
407.27960	2.0
421.29526	2.1
427.27982	0.9
445.29526	6.3
463.30481	5.5
481.31555	11.7
483.01312	0.8
499.32498	2.5
568.94983	0.8
778.63159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	22.8
57.07064	2.1
59.04989	5.1
60.63901	1.2
61.02925	69.5
67.05172	2.3
67.05506	33.2
69.03424	30.9
69.07059	9.7
70.83636	1.3
71.01347	3.2
71.04984	5.6
71.53320	1.5
71.58994	1.9
71.59366	3.2
73.02913	19.7
73.12498	1.5
79.05489	21.1
81.03416	29.8
81.07053	36.0
83.01345	2.2
83.04967	5.1
83.08630	3.8
85.02903	100.0
87.04453	4.0
89.06028	3.8
91.03952	63.0
91.05477	16.6
93.07038	26.7
95.04977	7.3
95.08604	24.5
97.02890	73.1
97.06544	1.8
97.10171	2.2
99.04452	14.7
101.02361	4.7
103.03934	9.2
105.07017	13.4
107.04942	2.4
107.08583	14.0
109.02884	12.2
109.06512	4.4
109.10148	14.3
111.04413	3.3
115.03891	7.9
117.05502	3.5
117.07020	5.4
119.08578	10.9
121.10146	12.5
123.11703	6.1
125.09593	2.4
127.03915	36.8
129.05479	5.6
129.06990	2.2
131.08560	10.8
133.10127	11.9
135.11684	9.3
137.09557	1.9
137.13293	2.3
142.07765	2.3
143.08540	2.6
145.04964	29.2
145.10110	7.2
147.11682	6.3
149.09621	1.8
149.13269	6.2
151.11171	2.4
157.10110	4.1
159.06494	1.9
159.11697	6.6
161.13274	4.8
163.06010	19.6
163.07327	1.8
163.14813	3.7
169.10118	2.0
171.06531	2.8
171.11699	1.6
173.13289	3.7
180.90237	1.5
183.06534	10.6
183.11674	2.4
185.13239	1.7
187.14859	3.2
189.12793	1.4
201.07590	6.9
201.16312	1.9
219.08679	1.6
243.20952	3.7
255.50816	1.6
259.20474	2.8
261.22076	16.8
267.16071	3.1
277.73077	1.5
285.21970	2.2
289.21756	1.9
303.23199	3.3
315.23322	1.7
317.24606	2.1
327.23083	2.0
335.25803	54.3
341.24783	1.5
345.24338	2.3
351.23148	3.6
353.27081	1.6
363.25449	1.9
369.24265	4.7
377.26834	3.6
390.27405	1.5
443.27658	5.3
461.28677	3.9
479.29990	10.4
497.31000	2.7
523.98254	1.5
783.75323	1.5
783.94000	1.4
799.80420	1.5
821.90350	1.8
845.42157	1.7
850.50153	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	20.9
57.07073	1.1
59.04970	0.8
61.02924	72.8
63.55912	0.7
65.03927	2.4
67.05500	32.1
69.03426	29.2
69.07064	8.4
71.01353	3.7
71.05001	4.8
73.02912	23.4
73.03243	0.5
75.04469	1.4
77.54138	0.7
79.05488	22.4
81.03419	22.6
81.07053	32.9
83.01350	1.7
83.04983	4.0
83.08607	4.3
85.02900	100.0
85.06517	1.1
87.04464	3.5
91.03950	59.4
91.05477	14.6
93.07036	24.7
93.07629	1.1
95.04959	5.4
95.08601	24.0
97.02886	73.4
97.06465	1.3
97.10187	1.7
99.04446	12.7
101.02367	4.2
102.81999	0.9
103.03938	9.8
105.04485	0.9
105.07020	11.0
105.99200	0.7
107.04939	1.3
107.08581	13.2
109.02877	12.3
109.06505	3.1
109.10143	12.4
111.04457	4.2
111.08060	1.1
115.03898	6.3
117.05513	3.1
117.07010	4.9
119.08587	10.3
121.06478	1.2
121.10136	12.2
123.04460	1.3
123.08018	1.4
123.11694	5.4
127.03909	35.9
129.05475	5.4
129.06981	2.1
131.08549	9.8
133.10117	7.8
135.08052	1.0
135.11681	9.0
137.05934	1.2
137.13261	1.9
141.06973	1.0
143.07027	0.8
143.08551	2.3
145.04953	35.9
145.10110	7.0
147.11661	5.9
149.09521	1.3
149.13251	3.9
151.11107	1.2
155.08534	1.4
157.10103	2.9
159.06555	3.0
159.11685	6.8
161.13181	4.5
163.06009	18.3
163.14813	2.5
165.12779	0.8
167.61003	0.7
169.10075	1.0
171.06534	2.5
171.11607	1.2
173.13254	6.4
177.16429	1.2
183.06557	10.1
185.13211	2.1
187.14821	3.1
197.13295	1.4
199.06001	1.0
199.14862	1.3
201.07542	7.7
201.16444	1.3
205.15903	1.2
211.14716	1.0
213.12549	0.8
213.16374	0.9
219.08542	1.6
223.14874	0.9
225.02524	0.9
233.22583	0.9
241.07092	1.0
241.19501	1.2
243.21045	5.5
255.21054	1.1
259.20596	2.7
261.22113	17.9
273.22083	0.9
279.23175	1.2
285.22171	1.5
303.23123	2.9
315.23190	1.4
317.24731	1.7
327.23373	1.9
335.25778	57.6
336.26254	2.1
341.24838	1.3
345.24133	2.0
351.23218	2.7
353.26907	1.6
363.25339	3.1
369.24228	5.4
377.26855	3.8
387.25327	1.8
401.26566	1.1
405.26523	1.8
419.27759	2.2
431.27762	1.0
443.27963	5.6
461.28925	5.3
479.30017	8.5
497.31262	2.2
632.23334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33694	0.5
57.03436	1.7
59.04988	0.9
61.02928	4.8
67.05510	5.6
69.03445	3.6
69.07073	3.2
71.04983	1.0
71.58931	0.9
73.02911	2.4
79.05499	5.4
81.03408	5.5
81.07049	6.8
83.04977	1.1
83.08612	1.2
85.02905	4.6
85.06467	0.6
87.04456	0.7
91.03973	2.6
91.05483	5.4
93.07062	5.7
95.04973	2.3
95.08622	2.8
96.51689	0.6
97.02910	3.7
97.06508	0.9
97.10169	0.9
99.04463	1.8
101.02396	2.1
101.77482	0.7
103.03984	0.6
105.07018	4.0
107.04977	1.1
107.08606	2.7
109.02878	1.0
109.06507	1.1
109.10162	2.0
111.04473	0.6
117.06971	0.8
119.04987	1.0
119.08598	2.8
121.10146	1.8
125.09618	0.8
126.93674	0.6
127.03936	1.4
131.08565	2.2
133.10176	1.5
145.10205	0.9
147.04414	1.1
147.11702	1.8
149.09642	1.7
157.10202	0.9
163.11287	0.8
163.14984	0.6
175.11203	1.0
185.04337	0.8
193.12294	1.8
225.14915	1.0
243.08391	4.0
253.14336	0.7
283.15164	3.3
297.00290	0.6
333.20462	1.3
339.17810	0.8
389.22815	0.9
413.18143	0.9
439.19257	1.1
458.59558	0.7
501.23096	11.2
501.30264	0.8
525.58167	0.7
551.28235	8.5
574.31439	0.7
607.06372	0.7
721.37848	1.9
811.44385	100.0
812.45178	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	808.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	12.0
57.07093	1.9
61.02915	2.4
65.03923	2.8
67.05505	54.5
69.03428	8.2
69.07066	15.7
71.03886	1.7
71.04208	2.9
71.04995	7.6
71.08620	10.3
79.05493	39.2
81.03419	73.3
81.07056	54.2
83.04980	12.8
83.08633	22.8
85.02900	4.4
85.06544	3.6
91.05480	38.0
91.06013	3.2
93.07047	35.2
94.50770	1.5
95.04971	29.3
95.08608	23.3
97.02892	5.4
97.06528	9.0
97.10178	14.8
99.04507	1.9
99.08079	9.8
105.07037	29.0
107.04972	9.8
107.08600	24.7
109.02863	1.9
109.06513	4.7
109.10150	12.8
111.04456	2.6
111.08105	8.3
115.05458	2.9
117.07049	10.5
119.08587	21.2
121.06503	6.0
121.10149	15.7
123.08090	4.4
123.11713	3.1
125.09634	12.9
127.03914	1.5
128.06230	1.9
129.05486	1.7
129.07016	10.2
131.08577	17.6
133.06509	4.5
133.10152	19.2
135.08046	4.6
135.11690	9.9
137.09604	3.5
139.11174	2.0
142.07837	3.5
143.08568	5.1
145.06479	4.3
145.10088	7.8
147.08069	3.4
147.11678	13.3
149.09624	6.2
149.13278	11.2
151.11182	12.6
153.09122	1.9
155.08574	3.3
157.10132	10.6
159.02815	1.3
159.11728	7.8
161.09641	1.5
161.13266	4.5
163.11177	9.5
165.12778	4.0
171.11617	2.8
172.75262	1.4
173.09581	2.1
173.11792	3.4
173.13223	2.3
175.11223	6.8
175.14757	1.9
177.12756	4.8
179.14319	2.2
183.11674	2.7
185.13322	2.5
189.11221	5.8
189.12804	1.6
193.12257	20.2
193.31728	1.7
195.13823	4.4
199.14839	2.8
201.12741	2.0
207.13841	1.5
209.11758	2.0
209.86485	1.4
211.13329	3.0
213.12871	2.0
217.15829	2.3
225.14758	2.5
227.12784	13.8
229.14386	6.5
244.08154	1.4
245.13898	1.9
249.14946	4.5
250.06259	1.6
253.14456	2.7
259.20651	2.8
267.15912	69.3
268.16119	2.0
269.17474	30.3
273.14960	1.6
275.20218	2.9
277.21597	12.9
279.86227	1.7
285.16971	2.3
289.17960	1.9
293.21143	14.7
295.22891	2.0
319.15271	1.7
349.23679	2.6
351.25604	17.0
367.24792	3.5
369.24451	5.9
387.25272	2.6
405.26071	2.3
419.23767	1.9
421.25867	2.0
423.27255	1.8
429.26642	2.2
437.24945	2.9
443.27945	12.3
445.29367	3.2
447.27304	8.0
461.29001	100.0
462.29321	4.5
469.33331	2.5
487.34058	1.8
493.31598	13.7
503.29788	2.2
509.94113	1.6
511.28864	3.4
521.35400	1.9
521.43097	1.8
543.36823	46.8
544.36725	3.2
561.38232	10.6
569.31244	2.2
585.37933	1.8
593.38239	2.5
719.38953	1.7
809.42072	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	16.9
59.04962	2.0
65.03929	3.2
67.05506	74.1
69.03426	11.9
69.06720	2.9
69.07069	34.3
69.66199	6.5
69.66632	8.3
71.01353	2.3
71.04971	7.6
79.05493	73.8
81.03421	100.0
81.07059	70.9
83.04985	13.8
83.08613	31.7
85.02894	7.2
85.06521	3.8
87.04477	4.1
91.05483	61.3
93.06477	3.1
93.07047	54.5
95.04968	39.1
95.08604	32.4
97.02890	7.0
97.06528	16.2
97.10165	23.7
99.08070	3.6
99.90652	1.8
104.52072	1.9
105.07036	52.3
107.04938	17.6
107.08598	38.7
109.02885	2.8
109.06538	11.8
109.10152	25.0
111.04417	2.4
111.08069	12.3
115.05458	2.9
117.07015	16.9
117.70095	2.4
119.04951	4.3
119.08585	35.0
121.06506	10.1
121.10128	23.6
123.04418	3.3
123.08081	9.7
123.11697	5.6
125.09661	17.1
127.03835	2.1
128.06177	1.9
129.06998	19.1
130.07730	2.4
131.08565	26.8
133.06488	8.7
133.10141	29.5
135.08043	8.3
135.11681	11.7
137.05942	2.1
137.09619	4.9
141.07007	3.3
142.07751	5.5
143.08546	9.3
145.06476	5.4
145.10098	17.2
147.08015	8.3
147.11691	19.6
149.09625	16.3
149.13246	7.2
151.11160	6.3
155.08524	5.9
157.10127	14.7
159.08116	2.8
159.11674	12.5
161.09627	4.0
161.13208	3.0
163.11169	8.7
165.12759	4.8
166.13861	1.9
169.10097	5.9
171.08113	2.2
171.11662	6.1
173.09598	2.6
173.11690	2.5
173.13216	4.3
175.11166	12.6
177.12685	3.4
181.12378	2.1
183.11723	3.7
185.13242	7.6
187.11162	4.9
189.11206	9.2
189.12694	3.4
193.12230	23.5
195.11739	3.7
195.13704	3.3
197.13257	4.5
199.14857	2.7
207.11827	2.3
209.11606	2.6
211.13248	2.9
215.70708	1.9
227.12772	19.3
229.14343	5.3
233.15553	2.1
245.13721	3.1
247.20398	2.9
249.14838	4.4
253.14259	3.7
255.15808	9.3
257.18890	6.4
267.15936	72.5
268.16293	2.9
269.17450	22.4
273.18423	5.9
275.20084	23.7
291.19504	8.5
297.22162	4.2
299.19888	3.7
313.21371	2.1
319.15152	2.7
347.21899	2.2
349.23636	23.9
351.23279	3.2
367.25110	3.1
369.24219	4.5
385.23553	2.1
387.25287	2.7
405.26093	3.0
421.25662	5.6
435.27469	2.1
437.24966	3.9
443.27792	7.4
447.27438	22.7
449.30508	4.9
459.27274	4.7
461.28986	55.6
462.29355	5.2
467.31555	3.8
493.31439	8.0
503.29163	2.2
523.34021	4.0
541.35327	55.1
559.36334	15.8
569.30957	2.6
591.38043	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	804.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.1
59.05007	1.1
65.03937	1.9
67.05502	29.9
69.03435	9.6
69.07066	25.5
71.01343	1.0
71.04982	3.6
71.20042	1.5
71.20376	1.7
77.03895	1.2
79.05489	30.9
81.03414	60.2
81.07049	25.8
83.04970	4.9
83.08604	16.7
85.02885	2.3
85.06548	2.0
91.05478	27.8
93.07043	20.9
95.04964	25.3
95.08601	14.8
97.02876	11.8
97.06519	3.6
97.10167	14.2
99.08091	1.5
105.03340	1.1
105.07031	20.8
107.04940	9.9
107.08589	13.7
109.06511	4.4
109.10143	11.6
111.04413	1.7
111.08080	5.5
115.05419	1.6
117.07013	7.4
119.04945	1.5
119.08587	17.4
120.05677	1.2
121.06494	4.8
121.10141	7.9
123.08057	4.6
125.09632	8.1
128.06279	1.4
129.06987	8.9
130.07771	1.5
131.08574	11.1
133.06546	5.6
133.10129	9.8
135.04318	1.2
135.08057	4.0
135.11719	2.9
137.09607	3.6
142.07736	2.2
143.08543	5.1
145.06493	2.5
145.10097	6.9
147.08066	7.2
147.11685	8.3
149.09622	5.6
151.11188	2.5
153.09175	1.2
157.10136	6.5
159.08101	1.7
159.11624	2.8
161.09628	3.5
163.11139	2.9
165.12695	1.4
169.10095	1.2
175.11176	6.8
177.03554	1.0
187.11220	1.4
189.11235	5.4
189.12732	1.1
193.12195	15.2
193.15955	1.0
195.13913	1.3
199.11005	1.1
203.14236	1.1
205.12302	2.1
211.13203	1.2
213.12769	1.1
219.13785	4.5
223.13266	18.9
226.13763	1.2
227.12758	7.5
239.12819	1.1
245.18985	1.5
249.14944	5.0
253.14415	5.8
255.17453	1.2
267.15897	81.0
273.18500	10.2
285.16635	1.0
291.19528	78.6
292.19928	2.4
292.56396	1.2
313.21594	3.3
333.20905	1.1
347.22244	2.5
365.23212	45.7
420.07764	1.1
437.25195	1.4
445.25690	4.7
447.28894	1.3
459.27371	6.9
477.28482	2.7
483.30899	1.5
539.33765	8.0
557.34705	100.0
558.35004	3.6
575.35889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	13.3
58.07975	2.6
63.62472	3.0
67.05504	59.4
69.03419	11.1
69.07046	15.6
71.04976	5.9
73.02924	3.1
79.05494	44.5
81.03416	77.2
81.07054	62.3
83.04970	15.3
83.08611	17.0
85.02887	6.1
85.06512	6.8
91.05478	60.9
93.07047	32.2
95.04971	32.8
95.08592	21.9
97.02904	3.3
97.06535	9.4
97.10185	3.7
103.41074	2.5
105.07037	46.9
107.04946	8.9
107.08588	38.2
109.06512	7.0
109.10162	44.6
111.08106	5.6
113.06020	2.8
116.01242	2.6
116.06204	2.4
117.07006	7.9
119.08607	17.1
119.09321	2.7
121.06488	7.4
121.10172	11.6
123.04424	3.7
123.08045	5.1
123.11685	7.5
129.06990	12.5
131.08559	19.7
133.06487	8.6
133.10120	59.5
135.08073	4.5
135.11693	7.7
137.09636	3.7
137.33546	3.0
143.08617	6.9
145.10115	7.2
147.08002	3.2
147.11708	8.3
149.09604	9.5
151.11160	24.7
155.08540	2.9
157.10112	12.3
159.08119	2.7
159.11768	3.5
161.09651	5.9
163.11200	9.1
169.12283	5.0
171.11670	2.7
173.09625	4.2
175.11179	9.5
179.10634	4.8
181.10182	3.1
189.12706	3.3
193.12222	30.7
199.11024	2.9
215.12854	4.3
227.12776	10.1
229.14238	6.1
229.18991	3.7
245.19087	4.7
253.14348	100.0
263.19962	3.9
267.15887	74.6
273.18491	20.4
283.15302	4.2
287.20187	7.5
291.19492	28.1
347.22107	4.9
349.57678	3.0
365.23187	34.6
371.22482	2.9
389.23004	3.5
445.25952	21.0
447.28842	3.5
463.26862	34.3
465.30261	5.4
539.33820	15.8
546.28253	2.9
557.34717	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48091	1.4
69.33586	8.2
69.34015	7.2
75.03905	1.3
77.78695	1.3
81.07062	1.8
83.65815	1.5
87.06153	1.6
95.08650	2.0
128.94891	1.4
133.09233	1.5
315.65176	1.8
321.64932	1.5
375.86658	1.5
393.95697	1.5
413.17865	2.4
494.41504	1.7
499.49249	1.7
534.32678	1.5
647.26825	1.8
693.41974	14.8
797.44434	100.0
798.44806	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	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52599	2.0
61.02925	6.9
66.66315	2.4
67.05495	6.8
69.03418	4.0
71.58767	3.5
73.02926	5.0
75.26346	2.2
79.05497	4.7
81.07057	7.2
85.02924	7.5
91.03959	5.0
91.05477	3.4
93.07059	5.9
95.08604	4.4
97.02895	4.9
101.02381	2.0
165.36316	2.2
181.03163	2.2
183.85672	2.1
218.10306	2.3
243.08652	2.8
252.67728	2.2
422.77066	2.7
518.18781	2.7
519.29144	17.6
590.57819	2.2
797.51709	100.0
798.51434	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	799.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03188	1.6
57.03441	19.6
57.07077	21.0
61.02929	55.6
67.05504	7.4
69.03432	18.7
69.07069	5.2
69.44913	7.0
69.45320	1.4
71.01362	1.2
71.04985	3.6
71.08636	12.8
71.89549	0.8
73.02917	17.3
75.04485	1.2
79.05485	1.2
81.02973	1.7
81.03419	18.1
81.07059	11.7
83.01312	1.2
83.04986	2.1
83.08627	7.0
84.76465	0.9
85.02908	79.3
85.10188	8.3
87.04468	2.2
91.03958	40.7
91.05486	2.1
93.07059	1.6
95.04985	1.2
95.08614	13.3
97.02894	59.9
97.10178	3.3
98.21570	1.5
99.04458	11.0
99.11713	1.3
101.02387	3.7
103.03947	9.3
109.02888	14.4
109.10143	5.5
111.04427	1.3
111.11728	1.2
115.03955	4.5
117.05501	1.8
123.11726	4.2
123.12517	1.0
127.03922	29.4
129.05478	2.9
135.53062	0.8
137.13243	1.0
145.04956	26.7
145.86064	0.8
155.06996	1.9
159.06500	2.4
163.06013	15.2
165.05547	0.8
171.06621	1.6
183.06537	13.3
201.07553	11.5
216.00546	1.2
218.00381	1.1
219.08606	2.5
239.23712	15.6
257.24759	2.2
278.43405	0.9
313.27371	100.0
314.27649	1.9
331.28439	1.1
341.26874	6.4
355.28384	6.6
367.28693	2.1
383.27917	1.1
385.29547	1.6
397.29385	2.3
401.28784	1.7
421.29544	2.5
439.30618	4.4
457.31577	18.6
458.31747	1.2
475.32944	1.9
476.86319	0.9
675.92505	1.2
722.38043	1.0
730.66339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
57.74920	0.7
59.05001	1.3
61.02916	1.7
67.05513	1.1
69.03433	19.4
70.54471	1.5
70.54870	1.5
71.04989	0.7
71.19442	0.7
73.02915	1.9
75.04460	0.9
78.03449	2.1
79.05515	0.6
81.03416	3.9
81.07059	1.2
83.04981	1.4
85.02905	22.1
87.04465	8.1
91.03922	0.8
91.05473	1.9
95.04975	0.8
95.08589	0.6
96.04493	100.0
97.02889	19.0
99.04478	1.5
105.07028	1.6
107.04955	1.5
107.08615	0.7
109.02885	5.2
109.10166	0.6
111.04434	0.8
115.03934	12.5
119.04920	3.1
119.08595	0.8
127.03917	5.0
131.04900	0.9
133.04976	10.9
134.07286	2.6
135.04482	0.9
135.08061	1.9
136.06247	0.7
136.07579	1.9
137.05936	1.3
139.03886	0.6
145.04965	4.4
145.06476	1.5
159.08205	0.8
163.06084	1.1
173.06067	1.1
191.10677	0.8
201.05481	5.8
243.10229	5.2
290.83865	0.6
327.11716	0.6
338.13867	45.7
339.14120	0.6
347.94138	0.7
500.19156	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	795.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98983	0.9
57.03448	1.7
61.02935	5.8
67.05506	6.2
69.03440	3.5
69.07082	3.4
69.88586	3.9
71.05000	3.3
73.02929	3.8
79.05489	4.9
81.03418	1.8
81.07060	8.3
83.08653	1.8
84.27167	0.8
85.02917	4.9
87.04433	0.9
91.03963	2.0
91.05490	4.3
93.07061	4.7
95.05003	1.7
95.08646	2.1
97.02888	4.7
97.06590	1.2
99.04512	1.2
101.02410	2.0
104.79775	0.7
105.07050	3.5
107.08631	2.7
109.02937	1.1
109.10203	2.3
110.09459	0.9
119.08594	1.6
121.10155	1.1
123.11731	1.4
127.03928	1.6
133.10182	2.6
139.03900	1.0
151.11249	1.0
221.50757	0.8
234.31635	0.9
237.08014	0.8
243.08461	3.6
332.90506	1.0
333.20547	2.0
389.23300	1.0
399.04056	0.9
425.82260	1.4
453.21243	1.8
485.23547	8.1
551.28326	6.8
736.04669	0.9
795.45013	100.0
796.45685	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	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	33.1
57.03434	15.2
57.07081	4.5
59.06127	8.4
65.03935	9.8
67.05508	88.4
69.07072	21.3
71.59219	3.7
79.05495	63.2
81.07060	100.0
83.08630	8.9
85.02890	4.6
85.07676	7.9
91.05482	43.6
93.07047	68.6
95.04988	10.8
95.08612	68.0
97.02842	4.4
97.06506	4.7
97.10128	4.9
105.04513	3.3
105.07044	30.3
107.08595	37.5
109.10143	33.0
112.08710	6.3
117.07021	9.4
119.08579	28.8
121.10144	28.0
123.11711	13.8
130.15953	7.3
131.08569	18.2
133.10139	24.1
135.11687	26.7
145.10120	14.0
147.11678	15.0
149.13303	12.0
156.53851	3.9
159.11655	9.7
161.13272	13.4
173.13315	8.1
185.13368	5.3
187.14822	6.1
243.21103	5.7
259.20554	7.0
261.22171	22.4
333.24185	5.4
335.25848	96.7
337.27225	8.0
396.43091	3.9
412.00842	4.3
425.51010	3.7
595.47150	12.2
613.48761	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	792.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	12.4
55.05514	28.2
57.03429	20.9
58.02215	4.3
61.39772	4.9
67.05504	70.6
68.89769	4.3
69.03419	13.5
69.07059	35.6
69.38844	41.9
71.04976	8.9
71.77542	4.4
77.49538	5.0
79.05491	60.2
79.20468	4.6
81.03418	88.1
81.07051	77.0
83.04959	10.7
83.08610	28.6
85.02903	10.8
85.55009	4.5
91.05469	58.3
93.07039	55.4
95.04970	38.0
95.08603	37.7
97.02881	10.7
97.06542	9.5
97.10146	21.2
98.20721	10.4
99.08079	6.4
105.04498	6.0
105.07014	48.5
107.04959	23.3
107.08598	44.6
109.06529	11.9
109.10145	20.2
111.08060	8.8
117.07008	16.2
119.08575	33.6
121.06471	9.8
121.10136	21.7
123.08070	9.0
125.09613	19.5
128.06158	6.8
128.53571	4.6
129.06987	19.6
131.08566	33.6
133.06444	6.0
133.10144	23.7
135.08055	8.6
135.11652	17.7
137.09592	7.8
143.08615	6.3
145.10112	23.7
147.11723	23.8
147.12682	4.8
149.09621	17.4
149.13255	9.8
157.10158	16.9
159.11690	15.1
161.09637	5.3
163.11134	10.5
171.10371	4.8
171.11749	5.7
175.11212	11.4
177.12724	6.6
185.13177	5.5
189.11198	8.9
193.12228	27.2
195.13771	4.9
211.13329	9.5
213.12723	6.3
227.12764	20.2
245.13577	6.8
255.15865	16.3
257.19012	8.5
267.15887	100.0
269.17416	34.9
275.20035	32.9
276.20444	4.6
285.17169	4.9
291.19302	4.9
293.21371	7.2
349.23782	25.5
369.24426	5.8
443.27695	6.9
447.27420	24.1
461.29016	84.1
461.35364	9.1
467.31546	10.4
479.29913	16.3
541.35303	59.9
559.36304	26.8
577.36713	6.4
784.03162	5.5
812.97858	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	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.9
55.05507	21.1
57.03437	10.8
57.07057	3.1
59.04982	1.5
61.02916	2.0
65.03928	3.7
66.25694	1.1
67.05502	72.8
68.05835	1.2
69.03430	6.4
69.07067	26.3
69.62992	8.0
71.04592	1.8
71.04991	34.1
79.05489	42.2
80.05828	1.1
81.03417	11.9
81.07055	100.0
82.07390	1.7
83.04980	10.7
83.08609	14.2
85.02890	4.5
85.06536	8.3
86.09709	6.2
87.04440	1.6
90.02997	1.1
91.05482	48.8
93.07042	42.7
93.07629	1.9
95.01351	1.1
95.04957	10.3
95.08606	25.5
97.02856	3.8
97.06521	14.5
97.10169	8.5
99.08083	2.6
102.19422	1.1
105.07027	33.0
107.04931	4.8
107.08591	31.7
109.02867	1.7
109.06503	5.4
109.10169	13.2
111.04442	1.8
111.08076	5.0
113.05956	1.7
117.07014	13.6
117.18455	1.1
119.08580	17.5
121.06500	3.7
121.10152	10.8
123.08104	2.4
123.11687	11.2
124.99983	4.5
125.09647	6.8
127.03906	3.1
129.06990	3.8
131.08572	17.0
133.10133	25.9
135.08009	3.3
135.11690	11.4
135.32721	1.2
137.09648	1.8
139.11115	1.2
143.08527	3.9
145.06454	2.1
145.10104	10.2
147.11682	6.6
149.09625	7.7
149.13237	11.5
151.11163	7.4
155.08516	1.9
157.10085	4.0
159.11647	11.4
161.13228	1.9
163.11127	6.2
171.11684	3.8
173.04445	2.2
173.11847	1.3
173.13258	2.3
175.11124	1.6
177.12764	4.9
179.14366	2.2
181.12181	1.8
181.94597	1.2
183.11613	2.2
183.13797	4.9
184.07341	14.9
187.11043	1.4
187.13295	4.4
189.11191	4.5
195.13750	6.1
197.13255	1.3
213.14804	1.4
216.16643	1.1
223.13306	1.1
225.14795	1.6
227.12766	11.5
229.14307	1.3
243.15900	3.5
255.15955	1.8
257.17130	1.7
257.19229	1.6
267.15921	2.8
269.17407	12.9
275.20029	15.3
291.19531	1.7
293.21082	2.0
299.23865	1.2
301.20078	22.6
303.55615	1.3
313.16272	1.8
331.22690	1.3
340.33609	1.2
349.23633	12.7
367.24445	1.6
397.25867	1.7
401.26437	1.2
423.27350	5.2
427.26831	4.3
437.28946	15.3
445.29636	2.0
449.28931	11.8
451.30777	7.6
461.28830	1.2
463.30484	11.3
481.31674	3.5
495.33118	20.3
499.33636	3.7
517.35260	37.9
518.35413	1.2
531.36646	4.9
543.36810	17.8
561.37616	2.1
575.39624	13.5
581.32684	2.1
593.40558	2.1
790.51227	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.1
55.05509	23.6
57.03440	21.2
57.07069	6.5
61.02908	2.8
67.05504	77.8
69.03408	4.3
69.07074	18.0
69.67030	2.6
69.93565	5.4
69.93958	9.0
71.04985	7.1
79.05489	63.3
81.03416	100.0
81.07053	69.8
83.04981	7.0
83.08626	17.1
85.02902	5.5
91.05483	45.3
93.07045	51.6
95.04978	29.5
95.08600	42.8
97.02912	2.8
97.06517	5.1
97.10173	9.9
99.00103	3.5
103.14315	2.7
105.07029	30.0
107.04956	8.6
107.08596	29.1
108.03476	3.0
109.06525	7.0
109.10151	19.5
111.08066	5.5
117.07014	9.4
119.08589	22.2
121.06528	4.6
121.10124	21.8
123.08097	3.7
123.11712	5.6
125.09631	6.1
129.07014	11.2
131.08536	19.3
133.06528	4.8
133.10104	15.0
135.08081	3.6
135.11702	13.3
143.08513	3.9
145.10121	11.5
147.08063	3.9
147.11671	12.7
149.09599	8.4
149.13235	5.7
151.11148	2.7
157.10165	10.3
159.11662	7.7
161.13268	5.0
171.11716	3.9
173.11786	3.6
173.13208	6.8
175.11183	10.5
175.14868	3.4
185.13316	3.5
187.14815	3.9
193.12262	19.9
207.13858	3.2
227.12756	3.0
229.14238	3.7
232.68996	2.6
243.21152	5.5
249.14996	4.5
259.20694	4.8
261.22183	15.6
267.15912	77.0
285.16666	3.3
299.23956	3.0
306.90631	3.4
331.17560	5.1
335.25784	71.9
336.26016	5.0
372.70862	3.1
435.32410	3.8
453.33478	5.4
489.35962	4.7
527.37268	37.3
545.38373	23.8
569.38477	4.1
591.39075	3.7
592.50305	3.2
626.44299	4.6
788.45825	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05515	41.4
57.03426	10.4
57.07059	4.7
61.02918	8.6
65.03931	4.5
67.05175	6.5
67.05507	74.7
69.03399	6.5
69.07061	21.9
69.41846	25.6
69.42273	11.0
71.04971	3.8
79.05495	66.1
81.07054	83.2
83.04987	6.1
83.08604	17.1
85.02897	4.6
91.04968	7.2
91.05482	88.8
92.46295	4.2
93.07043	61.9
93.36359	4.0
95.04951	16.7
95.08598	51.3
97.02864	6.4
97.06532	5.1
97.10162	10.5
98.21464	6.5
105.07029	64.6
107.04949	6.0
107.08595	30.1
109.06487	9.8
109.10154	14.4
115.05452	14.2
115.07363	3.6
116.06191	8.2
117.07018	48.2
119.08566	40.0
121.06519	11.0
121.10136	15.4
121.57804	3.9
123.08041	9.7
128.06207	25.6
129.07024	30.2
130.07755	16.0
131.08566	89.0
133.06538	7.1
133.10139	25.4
135.08060	9.4
135.11682	9.3
141.06947	13.8
142.07825	6.7
142.83206	4.1
143.08559	100.0
145.06470	4.5
145.10133	90.6
147.08081	9.6
147.11678	13.0
148.36792	4.0
149.09651	6.4
154.07805	5.0
155.08540	10.0
157.10123	24.5
159.08038	6.7
159.11731	22.5
161.09636	18.4
167.08537	7.0
169.10124	19.4
171.11674	21.0
173.09569	4.5
173.13266	8.2
175.11186	7.1
177.12721	7.1
181.10133	13.6
183.11710	10.8
185.13287	9.9
186.96378	3.8
195.11623	23.4
199.14714	4.7
209.13161	5.0
220.18117	4.4
227.17854	8.6
237.16400	27.1
239.13103	4.6
255.17403	26.7
261.22113	5.5
273.18509	71.8
274.19165	4.2
329.21069	6.5
335.22055	5.5
335.25873	81.7
347.22171	32.1
398.00287	4.7
561.37219	7.2
607.43542	35.7
785.60620	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	787.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78228	6.3
55.01866	20.8
55.05516	40.0
57.03442	13.1
61.02921	22.0
65.03936	8.5
67.05508	77.8
69.03433	17.9
69.07074	29.7
71.04962	6.1
73.02923	6.4
79.05496	57.3
81.03421	19.3
81.07061	74.1
83.04963	6.6
83.08603	22.3
85.02909	16.2
85.06490	7.1
91.05484	61.5
93.07035	51.5
95.04971	18.2
95.08604	52.8
97.02887	14.1
97.06533	23.7
97.10160	16.7
105.07034	51.2
107.04988	5.4
107.08619	35.7
109.10161	28.7
111.04385	7.5
112.59891	5.5
117.07023	23.3
117.33041	5.3
119.08604	38.9
121.10157	26.2
123.08068	5.7
123.11682	9.4
125.09634	11.1
127.03928	7.6
129.07019	19.3
131.08545	32.3
133.10110	30.7
135.11700	12.3
137.09653	5.7
141.07014	10.1
143.08582	19.1
145.10091	26.0
147.11728	22.3
147.71548	5.2
149.13255	8.3
155.08478	13.4
157.10138	16.2
158.43275	5.5
159.11705	24.9
161.13284	11.1
163.11162	6.0
167.08612	9.6
169.10118	18.3
171.08134	5.2
171.11737	23.3
173.13222	12.6
177.12741	6.3
181.10162	9.6
183.11687	13.4
185.13261	12.7
189.11214	7.3
195.11713	10.7
197.13362	10.9
199.14804	7.7
211.14859	7.8
223.14848	12.6
227.12866	8.6
227.20087	11.9
228.20349	6.8
235.14755	7.3
241.19551	5.9
257.18869	5.2
259.20636	9.7
261.22122	7.0
267.15878	11.2
273.18454	6.6
275.20105	9.6
335.25803	14.3
513.35547	33.5
527.37048	8.9
533.39984	6.4
534.60956	6.2
607.43323	34.3
625.44617	100.0
626.43896	6.8
787.47668	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	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	26.6
57.03426	10.0
60.76813	2.4
61.02922	7.8
65.03944	6.2
67.05502	58.5
69.03427	4.6
69.07068	15.5
69.84764	10.2
73.02908	2.8
79.05061	4.1
79.05491	51.8
81.03416	5.3
81.07055	60.6
83.04971	6.4
83.08627	11.6
85.02892	5.4
91.03954	4.7
91.05479	58.9
93.07047	49.0
95.04958	11.4
95.08606	43.8
97.02868	4.6
97.06539	4.8
97.10169	6.6
98.20783	3.6
99.51783	2.5
103.05466	5.6
105.07031	49.7
107.04972	3.9
107.08598	21.0
109.06514	8.5
109.10164	10.0
111.08065	3.0
115.05443	6.5
115.91918	2.4
117.07018	30.1
119.04963	2.1
119.08582	26.5
121.06496	6.6
121.10143	14.8
123.08086	3.1
123.11694	3.2
124.05386	2.1
128.06207	15.9
129.06992	23.9
129.82117	2.2
130.07762	5.0
131.08560	47.6
133.06474	6.5
133.10150	16.7
133.96288	2.1
135.08032	6.4
135.11713	7.8
137.09590	3.0
139.11125	2.4
141.07011	7.4
142.07764	3.8
143.08557	42.7
145.10117	52.9
147.08075	9.8
147.11690	9.6
149.09608	4.4
149.13206	4.8
155.08537	4.7
157.10133	18.3
159.11659	17.4
161.09602	8.8
161.13249	4.4
163.11153	3.0
165.07118	2.3
167.08582	3.9
169.10135	11.3
171.11674	11.7
173.13199	5.4
175.11166	6.7
177.12711	5.3
181.10193	8.2
182.10976	2.9
183.11687	5.1
184.07491	2.7
185.13214	3.4
189.12704	3.6
195.11734	8.6
199.14848	3.1
201.12717	2.5
213.12785	2.9
227.17941	3.7
237.16344	12.5
245.18974	6.6
255.17453	17.8
273.18500	58.9
291.19495	3.2
329.21146	3.9
335.25787	100.0
336.25955	4.3
347.22128	25.9
503.19592	2.5
575.09894	2.5
607.43512	30.5
608.44049	3.8
625.44067	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	779.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.1
57.03428	2.1
61.02927	5.9
63.49622	0.5
63.66682	0.6
65.77625	0.6
67.05498	7.4
69.03111	0.5
69.03429	3.1
69.07059	2.1
70.08875	1.5
70.09277	1.0
71.01360	1.0
71.05006	1.4
73.02917	3.8
79.05492	5.3
79.88463	0.5
79.97908	0.5
81.03424	3.8
81.07056	6.7
83.05000	0.9
83.08630	0.8
85.02893	5.6
87.04464	0.7
89.71788	0.5
91.03956	2.8
91.05469	2.9
93.07035	4.4
95.00410	0.6
95.04987	1.4
95.08589	4.2
97.02898	4.9
97.10135	0.6
98.20806	0.7
99.04500	0.8
101.02389	1.0
103.03925	0.9
105.07036	3.0
107.08608	2.6
109.02894	1.1
109.10180	2.9
119.08581	1.5
119.42843	0.5
121.10168	2.0
127.03956	2.2
129.07071	0.8
131.08560	1.4
133.10152	0.9
135.11729	0.8
147.11707	0.8
149.09644	1.2
149.13289	0.6
200.64017	0.6
203.05176	0.7
229.14412	0.6
230.14665	1.1
234.71333	0.6
243.08517	2.0
283.15182	4.5
287.16360	0.6
335.25806	0.7
337.27252	1.2
338.28021	1.1
340.34674	0.5
492.38019	0.6
501.23022	6.9
519.29346	6.6
606.42133	0.7
779.45459	100.0
780.46051	4.5
793.95331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05508	1.0
57.03437	1.9
57.07081	0.5
60.05483	0.3
61.02924	5.0
67.05507	5.0
69.03429	2.9
69.07069	1.6
69.99242	1.7
71.05000	1.4
72.36148	0.4
73.02913	3.6
79.05491	2.2
80.08704	0.3
81.03428	2.1
81.07056	4.4
83.05035	0.4
83.08640	1.1
85.02906	4.2
91.03951	3.0
91.05470	2.1
93.07057	1.7
95.04950	0.7
95.08599	3.6
97.02895	3.7
97.06555	0.4
97.10189	0.6
99.04485	1.0
101.02396	1.6
101.35693	0.4
103.03953	0.4
105.07040	1.7
107.08611	1.1
109.02895	0.7
109.10178	1.6
119.08588	0.7
121.10163	1.5
123.11750	0.5
127.03954	1.3
129.05475	0.4
131.08572	0.9
133.10072	0.7
147.11650	0.9
149.09618	0.7
154.82834	0.4
163.11192	0.4
175.11234	0.6
185.04248	0.5
193.12296	0.6
194.40475	0.4
203.05289	0.4
217.15749	0.5
243.08463	1.6
264.14087	0.4
277.05728	0.4
283.15097	3.1
293.15839	0.4
313.51382	0.4
316.13971	0.4
337.27435	0.8
431.85880	0.5
469.86331	0.4
501.23053	5.7
521.30859	7.3
521.38141	0.7
522.31030	0.6
598.52435	0.4
781.47046	100.0
782.47528	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	785.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.05518	9.5
57.03442	6.9
57.07067	1.6
60.31786	0.8
61.02929	26.1
62.09342	0.9
65.03930	1.8
67.05174	1.6
67.05505	22.5
69.03435	7.3
69.07070	8.7
69.51794	7.7
71.01336	1.0
71.04990	2.6
73.02918	5.9
79.05495	21.5
81.03438	4.9
81.07054	24.1
83.04987	2.2
83.08619	7.5
85.02905	27.1
91.03953	15.8
91.05482	30.4
93.07040	18.6
95.04955	6.8
95.08038	1.6
95.08601	15.4
97.02892	16.0
97.06534	5.0
97.10185	4.5
99.04453	1.5
101.02379	1.3
103.05442	1.8
105.07038	21.0
107.04929	3.6
107.08598	10.6
109.02889	2.0
109.06519	4.4
109.10151	6.8
111.08064	3.5
115.03952	0.9
115.05454	2.8
117.07011	20.2
119.04948	1.3
119.08582	12.0
121.06508	5.2
121.10153	7.9
123.04501	1.0
123.08036	3.1
125.09605	2.2
125.13855	1.1
127.03901	6.1
128.06210	3.3
129.07002	21.6
131.04912	1.4
131.08566	25.0
133.06494	5.1
133.10126	7.9
135.08080	2.8
135.11674	3.4
137.09621	2.1
139.11165	1.1
140.14117	1.0
141.06969	11.0
142.07768	1.6
143.08571	18.2
145.04955	3.6
145.06462	6.8
145.10126	10.5
145.67813	1.0
147.08073	6.8
147.11711	4.6
149.09598	3.3
149.13246	1.8
149.27029	0.9
151.11226	1.2
152.06195	0.9
153.05667	0.9
153.06969	3.4
154.07784	2.1
155.08548	15.1
157.06519	1.9
157.10136	8.8
159.08058	3.0
159.11690	10.0
161.09659	1.6
161.13263	2.1
163.06108	1.8
163.11176	1.8
165.07021	3.1
165.09137	1.0
167.08537	8.7
168.09354	1.3
169.10107	11.5
170.10745	1.0
171.08012	2.7
171.11711	8.1
173.09607	3.0
173.11772	1.0
173.13193	2.4
175.09773	1.1
175.11206	3.8
177.12759	2.1
178.07759	1.2
179.08556	3.5
181.10130	7.9
182.10735	1.5
183.08125	1.5
183.11731	7.4
185.09567	2.3
185.13245	4.2
187.11179	2.8
187.14845	2.1
189.12732	1.3
191.14395	1.0
193.10117	3.2
195.11674	8.9
197.09616	1.8
197.13275	7.5
197.64505	0.9
199.11121	1.5
199.14876	2.0
201.12746	2.6
203.14256	1.5
207.11674	4.4
209.13220	5.5
211.11159	2.3
211.14818	3.4
213.12726	3.0
213.16399	2.4
215.14304	2.8
219.11763	1.6
221.13284	4.0
223.14854	3.8
225.12697	1.9
225.16447	2.0
227.14357	1.5
229.15860	1.8
231.17328	1.1
233.13298	1.9
235.14781	2.7
239.14320	3.8
243.13794	1.4
247.14819	1.5
251.14082	1.5
253.15860	3.8
255.17459	0.9
257.15390	2.8
259.16934	1.9
271.17038	2.9
315.20929	2.0
323.23608	5.4
333.22104	9.1
334.69592	1.0
341.24756	5.1
351.23196	28.3
352.23599	1.5
369.19547	1.3
369.24243	24.8
387.25232	12.6
415.27222	0.9
425.26837	7.3
433.29514	1.7
442.49802	1.1
443.27939	100.0
444.28076	3.0
444.52502	1.1
457.28955	1.1
461.28995	53.7
462.29181	1.7
473.29135	1.2
485.28851	2.9
569.31262	1.5
587.31732	1.5
605.33038	2.4
623.33960	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	778.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
55.05513	41.6
55.05782	2.0
57.03439	17.8
57.07082	6.4
59.05010	3.3
61.02917	5.0
61.67892	1.3
61.94954	1.4
65.03925	2.4
67.05504	100.0
68.05834	1.6
69.03432	5.7
69.07066	26.0
71.01357	2.0
71.04988	4.1
71.08650	1.8
71.20541	2.4
71.20887	2.3
73.02928	3.4
74.75156	1.2
79.05493	30.3
79.41559	1.1
81.03423	5.0
81.07056	60.4
83.04982	7.3
83.08617	17.5
85.02906	16.2
85.06535	3.9
87.04465	5.4
91.03943	2.0
91.05479	16.7
93.07046	19.0
95.04959	4.3
95.08610	43.4
97.02905	7.3
97.06538	3.5
97.10161	23.6
98.34318	1.4
99.08097	1.6
103.03909	2.3
105.07031	10.1
107.08604	18.1
108.17874	1.3
109.06530	2.7
109.10155	51.8
111.08082	3.5
117.07007	3.0
119.08587	9.9
121.10142	12.1
123.08050	2.2
123.11703	6.8
125.09624	14.4
127.03902	1.5
131.08562	3.1
133.10109	7.9
135.11707	5.8
137.09639	2.6
137.13234	2.5
143.10674	3.1
145.10133	3.1
147.11690	4.6
149.13246	3.1
153.12798	1.9
155.10747	2.1
161.13257	3.4
163.11180	4.1
163.14804	2.4
173.11734	12.9
173.13170	2.3
175.14838	3.4
191.10587	1.3
193.12224	2.5
199.13289	12.0
209.11708	2.7
217.14215	2.2
227.12836	6.1
229.14346	43.3
229.16566	2.4
245.13733	2.7
245.22780	2.8
261.22244	1.9
263.23676	5.3
267.15866	3.1
283.15237	4.2
291.23209	1.9
299.14957	1.4
301.16382	12.1
317.24329	1.8
337.27365	68.5
338.27921	3.1
365.26944	2.2
461.36441	2.2
479.37317	7.3
491.37231	18.9
492.37756	1.4
501.22699	1.8
519.29565	2.9
563.39343	8.2
779.32166	1.9
779.45593	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
55.05511	21.1
57.03442	17.6
57.07067	2.7
65.03928	3.3
67.05507	58.2
69.03430	3.5
69.07067	25.1
70.03941	8.6
71.04987	3.4
71.08620	3.1
71.69576	1.7
79.05495	26.1
80.61095	2.1
81.03418	78.3
81.07056	60.4
83.04966	6.8
83.08614	33.5
83.44450	1.8
85.06528	2.8
89.06033	4.0
91.05483	24.8
93.07035	21.8
95.04962	27.1
95.08607	41.8
97.02881	3.8
97.06522	4.9
97.10183	9.5
105.06371	3.4
105.07021	32.6
107.04942	5.6
107.08591	14.1
109.06503	4.5
109.10148	18.0
111.08060	6.8
115.05417	2.2
117.07017	2.5
119.08575	17.3
121.06487	4.6
121.10131	14.3
123.11684	7.8
125.09612	5.2
129.06996	8.0
131.08569	11.6
133.06474	3.0
133.08560	3.6
133.10121	13.2
135.11765	3.4
137.09581	2.9
141.06950	2.0
142.07764	2.2
143.08501	2.8
145.10188	2.9
147.08018	3.1
147.11679	12.9
149.09564	4.4
149.13231	2.2
151.11140	2.0
157.10139	9.9
159.11682	2.3
161.13219	4.5
163.14815	3.0
165.12770	2.2
175.11205	8.7
175.14832	3.3
187.40350	2.1
189.11226	2.4
193.12213	24.6
227.12740	2.3
245.22638	2.5
249.14836	3.0
263.23700	6.3
267.15912	97.7
268.16364	2.6
285.16791	2.3
303.26834	2.7
309.16995	1.9
337.27356	100.0
455.35123	8.2
473.36496	3.9
529.38904	79.3
530.39075	3.6
547.39978	39.8
571.39850	4.3
776.47882	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	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05503	3.8
57.03432	3.6
59.05003	0.8
61.02924	4.1
67.02361	0.6
67.05502	8.3
67.58753	0.7
69.03430	4.8
69.07067	4.7
69.49019	2.9
69.49439	4.5
71.01359	0.8
71.04997	1.4
73.02918	3.4
75.44143	0.8
78.75690	0.8
79.05496	5.8
81.03416	4.5
81.07058	7.9
82.07404	1.1
83.04971	1.4
83.08612	2.5
85.02896	4.8
89.86677	0.8
91.03945	2.3
91.05475	5.8
93.07037	7.4
95.04975	3.2
95.08621	4.2
97.02885	4.6
97.06507	1.0
97.10155	1.5
99.04443	0.9
101.02377	1.2
105.07030	2.4
107.08585	4.5
109.06509	0.9
109.10158	2.2
117.07043	1.8
119.08586	2.5
121.10176	2.9
125.14262	0.9
127.03934	1.6
128.21758	0.8
129.06987	0.8
131.08650	0.9
133.10143	1.9
135.11687	3.9
145.10144	2.8
147.11674	1.6
157.10062	1.2
163.11172	6.0
169.47197	0.8
181.12375	0.8
211.13300	2.0
219.09944	0.9
227.12727	4.4
234.71870	0.9
243.08536	3.2
249.11000	6.4
285.16956	1.6
305.13684	2.0
333.20178	1.6
439.19174	0.9
467.18964	9.2
479.29758	1.0
480.30423	1.7
551.28485	7.1
640.27802	1.0
700.39899	0.9
777.40271	100.0
778.40704	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	776.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.6
55.05510	39.6
57.03191	1.6
57.03439	19.2
57.07059	3.6
59.04995	3.8
61.02927	2.0
65.03931	4.5
67.05502	100.0
67.41824	1.5
69.03422	4.4
69.07069	20.1
71.04966	3.7
71.59446	2.9
78.98916	1.4
79.05490	46.2
81.03397	4.8
81.07052	59.7
82.38420	1.4
83.04967	6.6
83.08617	13.0
85.02901	13.5
85.06522	2.9
87.04466	4.7
91.05480	30.0
93.07037	43.3
95.04964	7.8
95.08601	40.2
97.02902	3.7
97.06539	3.2
97.10161	18.3
99.08064	1.9
105.07031	17.0
107.08591	29.4
109.06538	2.1
109.10152	51.7
111.08074	3.7
111.69733	1.6
117.07010	5.1
119.08578	14.3
121.10134	17.2
123.04422	1.7
123.11676	5.2
125.09631	17.1
129.06949	2.1
131.08551	11.7
133.10132	10.8
135.11694	14.0
137.09563	3.7
137.56682	1.4
143.10727	2.8
145.10132	8.4
146.85417	1.4
147.11655	6.9
148.40918	1.6
149.13234	7.8
155.10677	1.5
157.10164	1.6
159.11751	6.1
161.13260	4.7
163.11171	4.8
163.14729	1.7
173.11732	13.2
173.13235	4.3
184.07434	2.2
187.14835	2.9
190.20695	1.7
191.37640	1.7
193.12239	2.8
197.13249	1.4
199.13272	9.6
209.11653	1.6
227.12776	4.2
229.14354	33.9
243.21158	4.5
261.22134	13.4
267.15924	2.2
283.15137	2.6
301.16473	15.4
335.25781	70.4
336.25998	2.6
363.25198	2.5
477.35922	8.4
489.35693	17.7
529.21136	1.8
543.36536	2.5
561.37598	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	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.5
55.05511	40.9
57.03184	1.3
57.03437	16.0
57.07066	3.2
59.04998	3.3
61.02908	2.2
65.03938	2.9
67.05504	100.0
68.05816	0.9
68.50185	0.7
69.03412	3.6
69.06721	1.4
69.07066	16.3
69.38219	6.3
69.38644	2.4
71.01350	1.4
71.04989	3.7
73.02892	1.0
79.05492	50.1
81.03404	5.2
81.07056	55.8
83.04991	4.8
83.08619	17.2
85.02905	13.8
85.06531	2.9
87.04462	6.4
91.03959	1.6
91.05485	24.3
93.07040	41.1
95.04976	7.3
95.08607	42.1
96.08958	1.0
97.02885	3.9
97.06525	3.6
97.10175	18.9
99.08071	1.7
103.03960	1.6
105.07031	18.3
107.04949	3.3
107.08591	26.6
109.02877	0.9
109.06518	2.8
109.10156	49.3
111.04414	1.4
111.08070	3.2
113.09645	1.1
117.07011	7.6
119.08578	15.4
121.06506	1.7
121.10141	18.3
123.08046	2.3
123.11707	4.7
125.08756	1.5
125.09623	20.7
129.06999	2.3
131.08556	10.8
133.10133	9.8
135.11703	11.6
137.09622	3.3
139.11157	2.3
143.08580	1.2
143.10689	3.5
145.10118	10.0
147.11671	7.1
149.09557	1.9
149.13243	6.5
151.11205	1.0
153.12726	1.7
155.10667	3.0
157.10106	2.2
159.11673	5.5
161.13280	5.8
163.11234	4.4
163.14844	1.9
171.11604	2.0
173.11734	15.6
173.13280	4.6
175.11238	1.0
175.14806	1.4
181.12167	1.0
184.07190	1.1
185.13197	1.8
187.14780	2.8
189.11235	1.0
191.10597	1.3
193.12218	3.2
199.13289	11.1
199.14946	1.6
209.11769	2.6
211.15050	1.1
217.14330	1.4
227.12723	5.1
229.14342	39.9
243.21077	2.9
245.13760	2.9
259.20560	1.2
261.22153	14.9
267.15942	3.1
277.21634	1.2
283.15503	1.5
301.16473	14.2
315.23135	1.9
317.24756	2.2
327.22998	1.4
333.24283	1.0
335.25800	70.6
336.26059	3.0
345.24252	1.3
363.25201	2.9
477.35483	8.5
489.35623	13.5
497.70370	1.0
525.36115	1.3
543.37305	2.0
561.37823	7.1
579.38562	1.4
713.42407	1.0
776.41138	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	774.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.8
55.05507	22.7
57.03446	20.4
57.07071	3.3
65.03934	2.2
67.05505	65.3
69.03430	5.9
69.07065	18.2
69.66409	11.8
71.04990	3.1
79.05491	48.5
79.53646	1.8
81.03419	93.9
81.07054	67.0
81.07525	4.2
83.04971	7.0
83.08618	21.9
85.06551	3.0
85.30060	1.9
91.05479	37.9
93.07043	48.5
95.04964	31.1
95.08606	48.2
97.02871	3.6
97.06528	5.8
97.10163	6.9
99.08101	2.8
105.07028	30.8
107.04959	9.2
107.08601	29.8
108.58373	2.1
109.06523	7.6
109.10169	22.4
111.08083	7.0
117.07002	7.6
119.08574	25.2
121.06537	3.4
121.10134	24.5
123.04403	2.5
123.08053	3.8
123.11706	8.5
125.09643	4.4
129.07045	10.4
131.08553	20.3
133.06499	5.0
133.10101	18.2
135.11685	15.5
137.09593	3.2
137.82118	2.0
143.08560	3.7
145.10114	13.7
147.08130	3.7
147.11703	14.0
149.09625	8.4
149.13271	8.7
157.10104	9.9
159.11696	6.9
161.13272	5.9
163.11230	3.3
163.14882	3.6
169.10136	2.4
173.13255	7.9
175.11163	9.5
175.14787	4.6
187.14883	2.8
189.11221	3.6
193.12234	28.8
211.13306	3.0
215.18080	2.2
227.12756	6.2
236.33310	2.1
239.15906	2.0
243.21149	4.8
249.14890	3.6
258.67822	1.8
261.22150	24.7
267.15927	100.0
280.84555	1.7
301.14383	2.5
301.25278	5.1
309.16962	3.1
317.24792	4.9
335.25797	95.0
336.26114	4.2
337.26907	2.2
435.32596	6.9
453.33646	10.2
471.34866	4.3
527.37366	66.3
528.37311	3.2
545.38373	39.6
553.79163	1.9
569.37885	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	774.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
55.05510	19.2
57.03432	15.9
57.07067	2.1
65.03934	2.4
67.05502	63.2
69.03420	5.0
69.07069	15.7
70.35224	1.9
71.04993	5.2
71.08608	1.8
71.59550	2.8
76.23373	1.9
79.05494	45.3
81.03415	77.8
81.07053	61.7
83.04984	6.8
83.08616	25.6
85.02930	2.8
87.65079	2.0
91.05478	33.9
93.07039	49.8
95.04971	31.7
95.08609	50.1
97.02889	2.5
97.06518	4.9
97.10184	5.9
99.08111	2.7
105.07034	25.3
107.04977	6.0
107.08593	26.5
109.06541	4.4
109.10144	17.0
111.08075	7.6
115.05422	1.8
117.07043	10.0
119.04972	1.8
119.08588	18.8
121.06489	3.3
121.10132	21.5
123.04393	3.0
123.08101	3.9
123.11700	7.1
125.09627	6.4
129.07001	10.9
131.08557	21.9
133.06438	2.6
133.10139	16.4
135.08028	1.9
135.11676	17.5
137.13263	2.9
143.08571	2.2
145.10127	8.3
147.08066	5.2
147.11674	16.1
149.09621	6.2
149.13240	6.8
157.10149	11.3
159.11626	8.6
161.13254	4.0
163.14777	3.5
165.12704	2.4
171.11655	3.8
173.13293	7.2
175.11218	7.2
175.14836	3.3
189.11259	5.2
193.12221	28.5
223.13350	1.8
223.48807	1.8
227.12825	4.1
231.12596	1.8
235.13310	2.6
243.21097	6.8
247.73116	2.0
249.14748	3.1
261.22141	22.4
265.18506	1.8
267.15897	100.0
268.41696	1.7
285.17029	5.3
301.22037	2.4
301.25320	6.5
309.17090	6.6
317.24820	5.2
335.25800	87.3
336.25995	2.3
337.27625	2.7
375.17413	2.5
421.25812	2.3
435.32623	3.6
453.33530	6.2
471.34595	4.8
527.37225	54.3
528.37506	2.4
545.38312	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	773.519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.6
57.03429	4.1
57.07070	3.7
61.02936	12.7
63.38355	1.3
66.10934	1.5
67.05505	21.6
69.03431	8.7
69.07066	8.8
69.27453	9.7
69.27879	6.6
71.01356	2.3
71.04974	1.9
72.92317	1.5
73.02926	7.2
79.05505	11.7
81.03414	3.9
81.07054	19.3
83.04980	2.1
83.08607	7.1
84.11858	1.5
85.02908	13.6
91.03950	6.5
91.05475	10.0
93.07030	12.7
95.05000	2.1
95.08614	14.9
97.02888	13.4
97.10177	3.5
101.02390	2.2
105.07034	11.9
107.08577	7.8
109.02842	1.6
109.10165	7.6
117.07025	6.4
119.08578	12.5
121.10149	4.9
123.11759	2.7
127.03989	2.9
128.06201	2.6
129.07002	9.8
130.19754	1.4
131.08578	15.0
133.10132	6.6
135.08202	1.7
135.11688	2.9
136.96106	1.6
141.06996	3.2
142.07755	2.0
143.08556	12.4
145.10124	12.0
147.11684	4.4
155.07349	1.6
155.08563	6.8
157.10133	10.2
159.11685	8.0
161.13257	3.0
169.10150	8.1
171.11723	7.3
173.13295	4.8
181.10165	3.3
183.11676	6.6
185.13289	5.9
187.14850	3.9
195.11794	4.4
197.13260	6.5
199.14857	3.1
201.16368	3.4
203.07196	1.6
209.13252	2.1
211.14821	4.5
213.16463	3.0
215.18027	1.9
223.14940	1.8
225.16379	2.5
227.18109	1.7
239.18088	2.4
249.16385	1.5
251.17805	2.1
290.80716	1.6
435.69510	1.5
519.41833	4.8
537.43024	4.1
593.45837	7.4
611.46661	100.0
612.47168	4.2
773.51947	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
55.03090	1.3
55.05516	10.9
57.03445	10.2
59.05009	1.9
61.02927	2.3
65.03938	2.5
67.05506	50.2
69.03409	2.6
69.07072	11.1
70.10032	6.4
71.04995	3.1
77.03900	1.3
79.05061	1.9
79.05497	25.7
81.03429	1.6
81.07059	46.6
83.04974	3.7
83.08617	4.5
85.02900	2.4
85.06539	5.1
91.05480	38.6
93.07043	33.5
95.04975	7.9
95.08611	35.0
97.02894	1.6
97.06541	3.4
97.10181	1.6
103.03897	1.4
105.07036	23.4
107.08598	30.0
108.72820	1.2
109.06535	2.5
109.10163	30.6
111.08021	1.5
113.06010	2.4
117.07027	6.3
119.08596	11.3
121.10133	9.8
123.08078	1.3
123.11687	8.1
128.06242	1.6
131.08556	8.7
133.10130	65.9
134.10443	1.9
135.08060	2.0
135.11690	6.4
137.09621	2.2
143.08542	4.6
144.96289	1.2
145.10162	3.0
147.11742	3.6
149.13249	3.4
151.11174	26.8
159.11702	3.0
161.09660	13.6
161.13240	3.4
163.14819	2.6
169.12262	5.1
173.13327	2.5
179.10663	9.7
180.50151	1.2
187.14845	1.6
197.11720	2.5
209.55339	1.3
215.12820	15.7
243.21040	4.9
253.14375	16.2
261.22159	14.6
269.91473	1.4
271.15421	6.5
299.14871	7.1
317.15930	60.6
317.24384	2.2
318.16449	2.8
335.25800	100.0
336.26151	5.2
363.25113	1.4
513.35864	2.0
531.36755	4.6
545.38367	1.7
559.35840	1.5
577.37415	33.6
578.37659	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.7
55.05510	23.0
57.03436	9.1
57.07069	2.7
65.03935	3.0
66.49310	2.1
67.05503	35.0
67.47678	1.6
69.03426	4.7
69.07062	19.9
69.61532	4.5
69.61947	8.5
71.04982	3.9
72.94815	1.8
79.05061	3.3
79.05492	43.3
81.03424	6.9
81.07055	41.5
83.04977	7.6
83.08613	12.7
85.02868	2.6
85.06558	2.5
91.05485	29.9
93.07043	55.5
95.04977	10.5
95.08608	39.4
97.02884	4.1
97.06541	11.0
97.10168	10.8
99.04466	3.4
103.05473	2.8
105.07036	25.6
107.04958	13.7
107.08593	39.6
109.06515	3.6
109.10164	10.2
111.04382	2.5
111.08061	3.1
117.07006	11.9
119.08583	21.3
121.06503	7.8
121.10149	15.1
123.08092	2.2
123.11709	2.3
125.05975	3.0
125.09638	7.3
126.65418	1.7
129.07010	3.7
130.07771	2.9
131.08545	10.0
133.10121	12.0
135.08066	3.7
135.11690	48.2
143.08569	2.9
144.32869	2.1
145.10117	31.5
147.08075	2.2
147.11726	4.9
149.09653	6.3
149.13292	4.6
151.11163	2.0
157.10144	2.9
159.11705	4.6
161.13283	4.2
163.11177	58.5
164.29941	1.7
173.13219	3.7
175.11203	1.8
177.12805	2.8
179.14294	1.9
181.12248	7.9
189.11194	3.3
195.13733	2.5
197.13306	1.9
202.48993	1.8
209.11722	2.7
222.00229	1.8
227.12773	100.0
235.10188	1.9
239.17941	4.3
255.16087	2.9
257.19049	10.0
267.15710	2.9
269.17526	8.6
270.38348	1.8
275.20081	24.2
283.15399	57.8
291.19821	2.6
331.22583	2.8
342.21713	1.8
349.23758	28.2
367.24969	3.1
379.21152	2.2
437.25345	2.5
453.24609	2.6
461.29089	2.6
463.26877	10.8
477.21399	2.1
477.28467	42.3
557.27386	1.5
557.34644	38.9
575.35535	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66685	0.8
55.01871	1.5
55.05511	10.4
57.03432	3.5
57.07067	1.7
59.26099	0.7
59.89107	0.8
60.17636	0.8
61.02925	16.0
67.05504	24.4
69.03420	8.1
69.07068	11.2
71.01353	1.3
71.04987	2.3
71.59938	1.4
73.02921	9.1
79.05496	16.8
81.03413	4.1
81.07056	19.0
83.04959	2.2
83.08620	5.5
85.02905	14.6
85.06561	0.9
87.04456	0.8
91.03943	6.7
91.05476	14.0
91.06014	1.4
93.07044	15.1
95.04964	2.8
95.08605	18.2
95.60651	0.8
97.02894	13.2
97.06537	1.8
97.10164	2.9
99.04491	1.2
101.02393	2.7
105.07037	14.3
107.04910	0.8
107.08599	9.1
109.06554	1.4
109.10143	7.9
111.08010	0.7
115.03960	0.9
115.05445	1.7
117.07015	8.8
119.08577	11.2
121.10129	5.3
121.48164	0.8
122.78848	0.8
123.08081	1.1
123.11722	1.8
127.03922	2.4
128.06227	3.0
129.06999	10.3
130.07860	0.9
131.08566	12.7
133.10126	9.5
135.08052	1.0
135.11717	5.4
139.11217	0.9
141.06937	4.2
142.07791	2.2
143.08574	11.4
145.04919	1.1
145.06534	1.1
145.10124	11.6
147.11665	5.2
149.13255	1.3
153.07056	1.4
154.07861	1.1
155.08559	9.5
156.09348	1.5
157.10109	11.5
159.11690	8.1
161.13263	3.3
163.14873	1.3
165.06963	1.5
166.07817	1.0
167.08553	6.1
169.10130	10.7
171.11691	9.5
173.13213	6.0
175.14825	1.6
178.07774	1.1
179.08557	2.5
180.09317	1.4
181.10129	6.7
182.10866	1.3
183.11693	11.4
184.07335	2.4
185.13309	7.8
187.14801	3.2
189.16353	1.8
193.10188	1.7
194.08707	0.7
194.10860	1.1
195.11684	8.6
197.13261	7.8
199.14810	4.8
201.16371	1.4
205.10201	1.3
207.11761	2.7
209.13235	4.9
211.14789	6.3
213.16420	3.5
219.11655	0.8
221.13226	2.0
223.14877	4.9
225.16357	4.9
227.18013	2.2
235.14763	1.7
237.16353	3.2
239.17981	2.7
249.16350	1.5
251.18025	1.3
253.19498	0.9
263.17963	1.0
265.19458	1.0
277.19373	1.2
279.21075	1.4
295.20477	1.0
305.22647	0.8
309.21896	1.4
323.23727	1.4
327.23459	0.8
331.82715	0.9
335.23840	0.9
337.25113	1.3
339.23257	1.0
348.64157	0.9
351.26791	1.5
365.24500	1.3
365.28674	1.1
391.30063	1.0
415.30502	0.9
440.37991	0.8
495.34924	1.0
501.35208	1.8
517.40509	6.8
527.37628	1.4
535.41370	2.4
539.37158	1.9
540.37329	1.0
541.39136	1.2
545.38507	1.1
591.44141	6.6
607.43982	1.8
609.45135	100.0
610.45563	5.9
614.18939	1.0
735.48169	1.9
753.48737	1.1
771.50482	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	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.4
55.05508	29.8
57.03436	12.3
57.21599	3.2
65.03935	5.5
67.05507	75.6
69.03401	7.7
69.07063	33.4
69.98233	3.0
70.12400	6.0
70.12823	14.1
70.46062	3.4
71.04978	5.8
71.69416	3.0
75.41529	3.2
79.05490	100.0
81.03423	16.6
81.07052	89.4
83.04974	24.1
83.08609	16.5
85.06531	5.1
88.78909	3.2
91.05479	78.4
93.07040	91.9
95.04961	29.0
95.08605	38.0
96.67825	3.9
97.02909	5.3
97.06512	19.1
97.10149	5.2
105.07029	61.6
107.04948	13.5
107.08590	41.0
109.06508	7.6
109.10143	17.7
111.08094	7.9
117.07037	21.7
119.08585	37.3
121.06508	9.1
121.10116	15.7
123.08070	6.6
125.09607	4.8
127.03918	4.5
129.07002	20.5
131.08545	15.4
133.10139	24.5
135.08038	5.9
135.11670	16.2
137.09619	5.5
143.08566	12.1
145.10101	19.9
147.08131	4.9
147.11687	34.7
149.09627	15.0
149.13266	9.0
151.11214	5.3
159.11693	13.7
161.09601	6.9
161.13293	13.6
163.11191	15.5
171.11662	20.3
189.12779	10.0
207.13760	24.2
227.12796	14.8
229.19601	5.4
242.59108	3.3
246.32430	3.3
251.81996	3.9
253.14342	7.5
255.15773	4.3
257.18982	8.9
269.17484	12.7
275.20059	27.3
281.17444	65.0
349.23788	19.9
357.73273	3.5
461.29135	22.8
475.30585	80.5
555.36670	33.2
573.36859	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	770.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.9
55.05509	23.0
57.03436	6.4
65.03922	2.7
67.05502	36.6
69.03432	9.7
69.07069	26.9
69.62928	16.5
71.04980	3.2
71.13782	1.7
72.89256	1.8
74.04812	1.9
79.05490	39.4
81.03419	7.0
81.07056	34.1
83.04975	5.3
83.08617	11.4
85.02895	2.4
91.05482	20.8
93.07043	44.9
95.04971	10.9
95.08604	39.6
97.02895	8.3
97.06528	4.7
97.09632	2.2
97.10156	13.3
99.04444	5.4
105.07033	16.2
107.04961	13.6
107.08591	32.5
109.06519	6.8
109.10137	8.6
117.07034	11.9
119.08579	18.6
121.06498	11.7
121.10151	15.1
123.08048	3.4
125.05991	2.6
125.08836	2.0
125.09617	10.0
130.07794	2.2
131.08537	4.4
133.06563	3.2
133.10123	7.1
135.08069	6.0
135.11687	45.0
135.12703	2.7
139.07513	3.0
143.08568	2.5
145.10121	30.3
147.08020	4.4
147.11673	5.5
149.09628	2.5
149.13300	2.4
156.13887	1.9
159.11777	3.1
161.09692	2.9
163.11179	51.5
173.09482	2.4
174.28671	2.0
175.11319	2.3
177.12822	2.4
181.12241	7.7
189.11304	2.8
193.04913	2.5
209.11769	2.2
223.13322	14.1
227.12776	88.1
249.14871	4.6
273.18588	13.7
275.20142	3.6
281.17358	2.9
283.15369	57.9
291.19522	88.8
347.21857	2.5
365.23196	64.0
439.30725	2.1
493.27716	3.5
555.36639	4.0
573.34229	100.0
574.34064	5.2
706.08917	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.04840	0.3
57.03429	1.0
61.02916	1.4
67.01863	9.8
67.05501	0.7
68.99784	0.9
69.03429	6.0
69.07077	0.4
71.04986	1.2
71.59501	0.5
73.02905	0.9
73.06551	0.4
79.05499	1.6
81.03415	5.6
81.07065	0.9
85.02905	11.5
85.03417	0.6
87.00840	3.8
91.05482	1.4
93.03412	0.5
93.07024	0.8
94.04176	0.5
95.04990	0.5
97.02892	4.7
99.04449	1.8
101.02385	0.4
103.05488	0.7
105.01871	3.8
105.07045	1.3
107.04955	20.9
108.04500	0.4
108.05264	0.4
109.02888	5.0
109.06509	0.9
110.46126	0.4
115.03931	0.4
117.01869	0.4
117.07025	0.3
119.03410	0.7
119.04961	1.3
121.06482	0.9
122.03612	0.8
127.03921	7.9
131.04958	0.5
133.06496	4.6
135.04430	9.6
137.05977	2.2
143.08566	0.4
145.05008	2.9
145.06094	0.4
147.02895	0.4
147.04385	0.9
147.08096	0.3
149.05975	1.9
150.03110	0.7
151.07544	0.4
153.05441	5.4
159.02925	2.1
159.08008	0.4
161.05997	3.8
161.09607	0.8
163.03946	0.5
163.07607	0.5
164.25159	0.3
165.05475	100.0
166.05807	2.3
167.07062	0.7
174.06781	0.7
176.04720	0.5
177.05475	0.9
179.07079	2.7
187.07587	0.5
187.76656	0.3
189.05565	0.4
189.07399	0.5
189.09111	9.7
190.09567	0.4
191.07028	12.1
191.10692	0.6
195.06404	0.4
203.07152	0.4
207.06552	1.9
207.10153	0.6
213.03923	0.3
215.10776	0.6
219.10234	0.5
221.11728	78.8
222.12090	2.0
231.04929	1.8
247.13309	8.9
271.09570	0.4
283.09628	0.5
285.11221	10.7
286.11566	0.4
309.14917	1.9
327.12054	0.7
339.15796	1.9
341.17404	1.0
383.16968	6.1
413.10767	3.4
447.16614	0.6
469.17072	23.3
470.17361	1.0
533.16565	2.8
544.16882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42739	2.4
56.96294	4.5
56.96564	69.2
63.84114	2.3
69.03421	4.2
70.25629	2.2
70.98116	4.4
80.60675	2.4
84.96039	17.2
85.02900	6.4
88.99125	3.5
95.71443	2.8
97.02858	3.6
98.96938	4.5
98.97579	67.8
98.98206	4.8
102.97048	5.8
107.00184	5.3
110.97570	15.4
116.98622	70.3
117.03370	4.6
119.01907	3.0
119.04923	3.7
119.13580	2.4
122.34705	2.4
123.04436	3.3
124.99129	3.4
128.98593	34.3
131.00241	5.0
134.99646	43.6
135.04419	5.9
139.03876	2.8
140.98628	5.7
143.00204	21.0
145.01811	4.9
145.02774	14.4
146.99657	51.1
147.04398	12.6
149.01236	7.9
153.00658	4.6
158.99646	40.0
161.01231	44.1
161.02945	7.4
163.03912	9.4
165.00758	7.4
170.01213	4.2
170.99588	23.6
171.00816	2.6
173.01250	5.7
173.02931	3.0
174.99217	3.4
177.00703	48.5
177.05472	18.2
179.02216	8.6
182.99660	10.0
185.01355	4.0
185.02872	6.3
186.99091	6.0
189.00710	49.8
191.02193	6.8
193.00218	3.3
193.01781	3.4
195.01767	5.0
197.01234	3.4
201.00708	83.4
203.02271	4.0
205.00171	4.0
207.01814	10.9
210.01875	3.6
211.02774	4.8
213.00679	2.8
218.99847	3.3
219.01767	85.0
219.98686	2.5
221.01198	4.1
224.02318	4.0
225.00653	3.7
225.04314	7.9
227.02229	5.0
229.03746	3.1
231.01842	9.7
233.01143	3.2
235.99876	3.9
237.00670	15.0
237.02855	40.4
239.02275	3.7
243.01801	26.4
243.05460	6.3
245.05014	12.0
250.01497	7.3
251.02322	9.3
254.01082	3.0
255.01678	35.5
255.03835	3.8
261.00208	6.1
261.02826	100.0
263.00626	6.3
267.00189	9.9
269.03323	45.0
273.02802	46.6
275.02170	5.2
276.02957	4.5
279.03918	60.1
280.65060	3.1
281.01724	5.2
283.05014	3.7
285.01001	3.2
287.01257	5.5
287.04395	72.4
291.03815	17.0
293.03378	9.7
297.02872	11.9
302.05585	3.7
305.01871	6.4
307.04929	3.1
311.04361	28.8
315.03882	3.4
319.04788	5.7
321.04953	52.0
323.03204	2.7
329.05515	5.9
333.05042	6.2
337.05777	4.2
341.05374	6.6
351.06027	10.9
358.21634	3.3
365.04108	3.7
379.03018	2.9
381.06665	6.2
393.03320	7.3
395.06577	8.2
397.04324	5.8
399.07147	13.8
407.04291	3.9
411.04538	19.9
413.07645	14.7
425.04102	13.4
443.04834	26.2
455.07382	10.7
467.05161	8.9
485.05975	13.9
494.91888	2.6
515.06812	3.2
527.07056	5.1
551.06207	3.0
555.08759	3.4
561.11322	37.9
569.07965	22.3
573.09619	34.9
575.12811	43.0
587.09583	28.3
749.13953	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	763.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.9
57.03430	1.9
61.02927	6.9
67.05504	6.9
69.03435	4.2
69.07065	0.9
69.24879	0.6
69.43447	3.5
69.43864	1.7
71.04988	2.0
72.91328	0.6
73.02920	3.5
79.05502	4.5
81.03409	1.8
81.07044	7.9
83.08598	0.7
85.02895	6.1
91.03967	4.3
91.05486	3.4
93.07053	3.3
93.96140	0.7
95.05008	1.0
95.08613	4.2
97.02892	7.1
99.04459	1.0
101.02386	3.1
105.07009	1.3
107.08578	2.8
109.02885	1.0
109.10182	2.2
117.06989	0.7
119.08533	0.7
121.10174	1.9
123.11688	0.7
124.46869	0.6
127.03951	1.4
133.10167	1.4
135.11731	1.1
142.71887	0.6
149.13303	0.9
151.11203	0.8
159.11751	0.6
164.98256	0.6
224.85085	0.7
225.52855	0.6
243.08505	1.4
267.15842	1.7
307.43549	0.6
333.15167	1.2
409.54785	0.7
412.68646	0.7
485.23355	4.1
519.29321	12.8
763.46051	100.0
764.45831	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	766.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
57.03419	1.5
57.06815	2.5
57.07074	22.4
58.35848	1.5
67.05505	4.4
69.03427	1.9
69.07063	4.6
71.08633	39.5
73.02909	2.5
73.06530	2.7
74.45518	1.5
74.56195	1.5
79.05483	4.3
81.03424	6.3
81.07057	3.8
83.08611	2.5
85.02887	2.2
85.10179	21.8
87.04474	23.8
89.06031	100.0
91.05475	14.5
93.07041	6.5
95.04974	3.1
95.08631	2.4
105.07041	6.4
106.29906	1.6
107.04967	5.6
107.07073	4.4
107.08614	4.0
109.10168	2.5
117.07009	4.3
119.04917	2.7
119.08588	6.9
121.06498	18.0
129.06944	1.9
130.08675	4.7
131.07069	8.2
131.08542	2.6
133.08604	66.2
135.08044	5.4
135.10153	1.8
135.11716	1.8
147.08040	8.5
149.09621	6.4
150.06779	4.2
159.70950	1.5
163.11191	3.1
165.09128	5.7
175.09677	8.3
176.85086	1.6
177.11226	19.3
177.12656	2.3
191.10690	4.2
193.12326	3.6
209.11737	3.3
211.13280	2.8
221.13765	2.7
247.20564	18.9
255.15665	1.9
267.15881	6.1
273.22202	3.0
291.23154	28.3
313.27402	6.9
317.24762	1.9
327.19904	2.1
335.25952	5.5
505.38870	5.5
749.49969	2.9
766.41974	3.1
767.45807	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	761.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01870	1.1
55.05505	1.4
56.96547	0.6
57.03441	2.3
59.05006	2.3
61.02920	4.9
67.05508	4.1
69.03429	4.0
69.07058	1.4
69.42383	3.7
69.42787	1.0
70.06577	0.5
71.01362	0.7
71.04996	2.7
73.02917	3.0
79.05498	4.1
81.03418	6.9
81.07054	3.9
83.04977	1.1
83.08624	2.3
85.02901	5.1
85.06559	1.1
87.04512	0.8
91.03970	2.7
91.05470	4.2
93.07042	3.4
95.04973	2.7
95.08622	1.2
97.02892	4.3
97.06559	1.5
97.10198	0.9
98.21458	1.2
99.04472	0.6
101.02385	1.6
103.03962	0.8
105.07036	3.7
107.04946	1.0
107.08627	2.3
109.02864	0.8
109.06545	0.9
109.10140	0.7
110.14411	0.5
111.04405	0.6
111.08108	1.0
114.21487	0.6
119.08604	1.9
121.06528	0.9
121.10131	3.5
123.08067	0.8
125.09605	0.9
127.03921	1.4
129.07025	1.5
131.08556	2.6
133.10152	2.1
139.11235	0.7
147.11743	2.3
149.09647	3.3
157.10130	2.5
175.11246	1.9
185.04187	0.5
187.07542	0.5
188.91771	0.5
193.12245	2.6
197.15430	0.8
207.37050	0.5
225.14908	1.5
233.11716	0.7
241.14288	0.5
243.08400	2.5
253.14185	0.6
267.16153	1.3
283.15146	6.3
339.17676	1.2
358.57611	0.5
451.19165	0.6
469.20865	1.3
501.23053	27.8
502.23270	0.8
761.39252	100.0
762.40112	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	760.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05512	15.6
57.03434	3.4
57.07073	3.6
59.05017	2.8
61.02941	3.7
67.05505	72.1
69.07074	15.4
69.55068	13.6
71.04990	17.0
72.17136	2.2
79.05497	18.5
81.07056	100.0
83.04955	3.0
83.08624	10.9
83.89104	2.0
85.06535	7.1
90.54398	1.7
91.05479	22.9
93.07049	21.8
95.04990	3.2
95.08604	32.8
97.06541	5.5
97.10139	3.5
98.20747	3.0
105.07053	11.9
107.08604	14.0
109.06554	1.8
109.10162	16.0
111.08092	2.6
119.08590	4.8
121.10134	7.8
123.11707	14.2
131.08607	2.7
133.10150	17.9
135.11688	6.6
147.11653	2.5
149.13254	4.9
151.11182	6.5
159.11626	3.3
165.44019	1.6
168.38266	1.8
169.32623	1.7
177.12808	2.8
183.13785	3.9
187.13272	4.8
227.16327	3.1
257.17508	2.6
269.17480	5.6
301.20087	16.2
337.27417	19.2
379.83652	1.7
405.47568	2.2
487.37875	3.4
505.38864	89.3
506.39417	3.5
519.40320	5.5
531.40625	13.7
537.72839	2.2
563.43042	70.8
564.42957	2.2
766.69843	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
53.71301	2.7
55.01862	8.2
55.05511	38.2
57.03440	17.9
57.07055	5.2
61.02915	4.0
67.05502	96.2
69.03429	4.7
69.07067	37.1
71.01344	6.0
71.05053	9.6
75.06128	2.5
79.05487	47.8
81.03416	24.2
81.07053	95.3
83.04547	2.6
83.04959	17.4
83.08614	21.8
85.02905	14.0
85.06543	4.7
91.03958	2.7
91.05470	37.0
91.27144	3.0
93.07037	62.6
95.04956	9.2
95.08597	67.6
97.02888	10.6
97.06521	11.3
97.10144	14.8
99.04497	2.7
105.07033	24.7
107.04929	13.2
107.08591	33.0
109.06538	5.4
109.10152	34.0
111.04427	9.2
111.08083	6.2
117.07016	10.8
119.08556	28.5
120.54926	2.6
121.06506	5.9
121.10130	37.9
123.08050	5.2
123.11681	11.1
125.09647	7.0
126.85420	3.1
131.08540	11.5
133.10129	12.7
135.08109	6.1
135.11688	24.2
137.09584	3.5
139.11150	5.8
143.37910	2.9
145.10120	19.5
147.08054	4.2
147.11703	6.9
149.09602	3.4
149.13268	3.9
150.72113	2.6
151.11137	3.5
151.68700	3.1
153.12733	13.4
159.11673	3.9
161.13245	4.9
163.11179	31.6
163.14856	4.5
173.09596	6.5
173.11838	3.7
173.13339	4.0
181.12250	7.6
184.07362	10.6
191.10626	8.1
193.25400	3.1
201.63132	3.4
209.11679	21.7
227.12758	17.8
229.14359	9.9
245.13829	8.7
261.22079	4.3
262.78650	3.4
263.23608	5.0
283.15372	28.9
285.16986	3.8
301.16449	67.3
335.25809	12.7
337.27347	100.0
402.90436	3.2
403.32159	2.7
477.35345	3.9
489.35727	5.4
527.36963	5.0
545.38348	37.0
563.39398	98.9
761.38519	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	760.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
54.30454	2.3
55.01867	5.1
55.05509	20.4
57.03435	24.0
65.03918	2.8
67.05503	77.2
68.46037	2.3
69.03446	3.9
69.07064	26.3
71.04998	6.9
71.33194	5.3
79.05492	52.6
81.03416	98.3
81.07056	73.5
83.04980	9.6
83.08623	24.3
85.02901	3.9
85.06549	4.0
85.36714	2.2
85.87115	2.2
91.05477	41.7
92.77426	2.7
93.07043	59.0
95.04974	37.6
95.08606	44.1
97.02902	4.1
97.06527	7.0
97.10149	6.4
99.08089	3.9
105.07023	36.0
107.04954	7.9
107.08595	34.4
109.06529	5.8
109.10149	24.8
111.04417	2.7
111.08075	6.5
115.05442	3.9
117.07014	8.3
119.08578	23.3
120.08823	2.5
121.06484	4.3
121.10146	26.3
123.11691	9.9
125.09653	5.1
129.06961	17.3
131.08560	22.0
133.06503	4.5
133.10138	18.2
135.08086	2.9
135.11693	18.0
137.09595	3.7
140.89442	2.3
142.07806	3.5
143.08553	2.6
145.06512	2.9
145.10129	12.8
147.08026	5.3
147.11691	15.1
149.09628	7.0
149.13261	7.1
157.10136	12.7
159.11705	9.4
161.13292	5.8
163.14830	3.1
173.13239	5.5
175.11240	6.0
184.07396	3.5
187.14807	4.4
189.03871	2.5
189.11214	4.0
193.12259	24.2
201.16539	2.9
211.13264	4.5
227.12827	7.0
235.13318	5.3
238.14609	2.3
241.19382	2.6
243.21037	6.0
246.78223	2.8
257.40033	2.4
261.22189	23.3
267.15912	100.0
285.17059	3.8
296.45987	2.5
301.25223	8.6
309.16922	3.0
335.25787	91.9
435.27267	2.9
435.32700	6.9
453.33539	8.7
471.34698	5.0
527.37317	62.5
528.37543	3.1
545.30377	4.0
545.38269	43.3
560.25415	2.7
563.38348	3.2
594.13196	2.6
760.43481	7.2
761.39740	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	760.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01874	7.4
55.05511	43.8
57.03438	18.9
59.05000	6.5
61.02925	13.6
65.03934	2.5
66.66957	1.4
67.05505	100.0
69.03423	7.5
69.07062	10.9
69.55505	10.7
71.01330	1.9
71.04987	5.3
71.99685	1.5
73.02905	7.0
79.05062	2.4
79.05489	23.3
81.03416	12.7
81.07051	30.8
83.01348	1.9
83.04982	12.7
83.08609	21.7
85.02901	36.3
85.06542	3.5
87.04480	7.5
91.03960	12.1
91.05481	14.5
93.07039	15.4
95.04971	6.5
95.08602	12.9
97.02901	16.0
97.06516	5.6
97.10171	34.1
99.04494	1.8
99.08057	2.0
103.03944	12.6
105.07023	4.4
107.04949	6.3
107.08603	18.2
109.02867	1.9
109.10157	66.2
111.04439	5.3
111.08092	3.5
112.72169	1.6
117.07014	3.2
119.08586	10.5
121.10136	5.3
122.91634	1.5
123.08094	2.7
125.06067	1.5
125.09627	37.5
127.03924	6.2
131.08557	2.9
133.10109	1.8
135.11736	7.5
137.09554	3.7
140.88759	1.5
143.10677	8.5
145.04948	4.8
145.10135	7.8
147.04425	2.1
147.08096	1.5
153.12782	10.7
155.10667	5.9
159.06638	1.5
159.10252	1.7
163.06026	8.5
163.11188	16.2
173.04530	3.0
173.09578	3.3
173.11739	38.1
181.12253	11.7
184.07274	2.2
189.11290	3.6
191.10680	6.3
194.68112	1.6
199.13307	8.5
209.11687	12.8
217.14322	5.8
227.12746	16.8
229.14351	73.4
230.24820	7.0
245.13867	4.7
257.13861	22.2
267.16019	2.1
283.15381	26.5
301.16476	44.8
319.17450	10.7
366.16196	2.1
401.25137	1.8
471.66348	1.5
536.54510	1.5
644.45251	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01877	1.3
55.05507	14.0
56.31079	0.9
57.03432	7.2
57.07070	2.3
59.04981	1.4
61.02922	3.4
65.03934	2.3
67.05503	69.8
69.03439	2.6
69.07072	11.3
70.85454	2.6
70.95187	1.0
71.04990	19.7
71.20331	0.8
73.02886	1.2
79.05491	38.1
81.03439	1.9
81.07056	100.0
82.07375	2.0
82.21571	0.9
83.05005	5.2
83.08608	9.3
85.02909	2.9
85.06539	6.8
91.03964	1.4
91.05479	30.8
93.07042	40.5
95.04963	6.2
95.08610	30.8
97.02926	1.0
97.06547	4.9
97.10175	2.6
105.04559	1.1
105.07034	15.5
107.08598	23.1
108.00689	0.9
109.06499	2.0
109.10164	12.0
111.08084	1.9
117.07023	4.9
119.08575	10.0
121.10139	15.9
123.08106	1.7
123.11721	11.0
125.09605	1.9
127.03922	1.1
129.06984	1.1
131.08549	7.6
133.10127	17.6
135.11710	7.7
137.09712	1.1
145.10129	5.7
147.11676	3.8
149.13300	6.9
151.11205	5.1
155.48982	0.9
159.11670	5.4
161.13232	2.2
163.14931	0.9
169.10115	1.0
173.13245	2.7
175.14900	1.5
177.12759	3.1
183.13805	2.7
185.13289	1.0
187.13307	4.1
187.14812	0.9
195.13783	1.6
216.72493	0.9
227.16496	1.9
257.17633	2.1
261.22198	2.1
269.17599	5.2
301.20035	14.8
317.24640	1.2
335.25772	33.5
336.26208	1.4
481.78995	1.0
485.36288	1.9
503.37283	93.2
504.37524	6.9
517.38922	6.9
529.38959	12.3
530.39832	1.3
547.40015	1.3
561.41504	79.9
562.41919	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01871	9.1
55.05513	27.8
55.24210	2.8
57.03439	14.1
59.82207	2.7
61.02926	3.8
62.51727	2.6
64.11139	2.5
65.03924	4.1
67.05505	92.5
69.03416	7.4
69.07072	38.8
70.42085	5.5
70.42506	8.6
70.80966	2.7
71.04986	7.2
73.02915	4.1
75.48061	2.8
79.05491	64.9
81.03413	10.3
81.07056	100.0
83.04976	12.1
83.08625	21.5
85.06542	5.5
86.76028	2.7
91.05480	40.7
93.07041	74.8
95.04983	16.2
95.08604	28.5
97.02871	5.4
97.06522	27.2
97.10159	11.4
99.08078	5.1
105.07025	35.2
107.04950	7.3
107.08598	52.8
109.02884	5.6
109.06505	5.6
109.10144	12.3
110.91300	2.9
111.08075	10.6
117.06995	17.7
119.08583	26.5
120.11676	3.1
121.06513	4.7
121.10148	28.5
123.11722	5.5
125.09637	6.6
127.03950	4.0
129.06985	5.7
131.08571	22.3
133.10095	22.4
135.08043	5.8
135.11688	14.1
139.11165	3.2
143.08624	3.4
145.10170	16.1
146.65404	3.1
147.11662	11.4
149.09621	11.7
149.13269	38.0
157.10182	7.5
159.11707	16.8
161.13266	6.2
163.11169	6.9
173.13239	4.7
177.12769	6.9
189.11198	4.0
190.70056	3.0
195.13820	13.0
213.14886	4.0
215.14494	3.1
227.12793	10.2
255.15829	4.5
257.18964	10.1
263.62366	2.7
269.17487	86.3
275.20053	33.3
331.22626	3.6
349.23837	26.9
449.28934	22.5
463.30551	77.1
543.36829	44.2
561.37549	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01871	11.0
55.05268	2.5
55.05510	36.6
57.03436	25.6
57.07069	4.0
59.05000	1.8
61.02921	4.4
65.03945	2.8
67.05502	100.0
69.03418	5.5
69.07066	28.1
69.33453	17.1
71.01346	4.7
71.04985	7.1
73.02907	2.2
79.05492	70.8
81.03410	23.7
81.07056	93.7
83.01342	4.4
83.04969	23.2
83.08619	18.8
85.02898	13.8
85.06523	3.6
86.09657	2.0
91.03956	3.6
91.05476	44.0
93.07040	84.1
93.07631	4.3
95.04973	19.5
95.08603	57.7
97.02886	15.7
97.06535	13.7
97.10146	8.9
98.20776	4.3
99.04436	3.9
99.08073	3.5
105.07030	35.1
107.04960	15.3
107.08598	46.4
109.06512	8.1
109.10159	30.3
109.10854	3.9
111.04438	8.5
111.08072	8.7
111.11684	2.4
117.07030	17.9
119.08571	26.7
121.06480	5.7
121.10147	36.1
123.08088	9.0
123.11715	8.4
125.06075	2.0
125.09628	6.1
129.06992	8.1
130.07773	2.5
131.08574	21.9
133.10136	15.1
135.08052	4.4
135.11693	34.4
137.09604	5.3
143.08513	3.9
145.10115	31.3
147.08037	5.8
147.11729	9.1
149.09647	3.6
149.13229	5.9
151.11198	2.1
153.12726	17.3
155.08554	5.3
157.10045	4.2
159.11717	10.4
161.09677	2.7
161.13223	5.9
163.11180	36.1
163.14790	5.5
171.11667	4.4
173.09660	10.0
173.13258	9.1
175.14789	3.9
181.12283	10.6
182.72179	2.0
184.07318	6.1
185.13341	3.7
187.11102	2.0
187.14774	2.2
191.10683	13.4
197.13098	2.4
209.11710	37.2
227.12756	20.9
229.14470	2.6
242.77791	1.7
243.21082	5.5
261.22095	15.1
277.21396	2.5
283.15353	33.4
299.14743	5.7
299.23679	3.0
301.16428	81.0
312.97623	1.9
315.23093	2.8
317.24664	3.4
333.24356	2.4
335.25806	94.0
336.26340	2.7
337.27078	7.3
433.31024	4.6
451.32169	7.4
469.32935	6.1
487.34064	5.4
525.35809	13.2
543.36755	60.4
544.36847	2.7
561.37787	65.3
562.37885	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01874	8.1
55.05507	24.0
57.03189	1.4
57.03439	16.8
57.07058	3.5
59.04985	1.5
61.02902	3.5
65.03916	3.7
67.05504	73.5
69.03414	4.1
69.07067	23.2
70.27475	6.0
71.01381	2.5
71.05000	5.9
73.02893	1.5
79.05492	57.9
80.05827	1.3
81.02980	1.9
81.03419	24.4
81.07056	64.7
82.07384	1.7
83.01337	2.8
83.04979	18.2
83.08612	12.0
85.02896	10.3
85.06521	3.8
86.09697	4.1
91.04902	1.7
91.05475	34.7
93.07040	67.2
95.04967	15.0
95.08604	51.2
96.04484	1.4
97.02890	10.7
97.06504	11.2
97.10168	4.5
99.04434	2.5
105.04449	1.3
105.06390	2.0
105.07027	24.7
107.04940	17.0
107.08586	36.3
109.06516	6.2
109.10157	23.6
111.04456	11.6
111.08076	4.6
111.11662	2.0
117.07010	14.5
119.08585	20.6
121.06499	3.8
121.09318	2.5
121.10140	39.4
123.08085	7.1
123.11688	5.5
124.37666	1.2
125.00014	4.2
125.05947	1.8
125.09631	3.5
129.06996	4.6
130.07721	1.7
131.08562	21.6
133.10153	13.8
135.08040	3.6
135.11697	30.1
137.09567	4.3
139.11139	3.4
143.08542	3.9
145.10110	23.3
147.08000	2.7
147.11687	7.1
149.09641	2.8
149.13223	6.9
151.11142	1.5
153.12744	12.8
155.08540	3.7
157.10091	2.0
158.49715	1.2
159.11716	6.0
161.13275	5.0
163.11186	35.0
163.14803	3.0
171.11667	2.3
173.09648	6.6
173.13255	5.3
175.14841	3.5
181.12218	12.3
184.07356	13.8
187.14842	4.0
191.10657	11.5
209.11694	21.0
227.12781	18.4
239.46318	1.4
243.21082	3.7
245.13913	6.7
252.24248	1.3
259.20667	2.4
261.22110	14.6
265.14291	3.9
272.14999	1.2
283.15384	25.2
301.16443	66.1
317.24704	3.8
335.25769	100.0
336.25940	2.4
338.27594	1.5
428.59787	1.3
433.30740	1.4
451.32141	2.4
469.32886	2.2
525.35675	7.5
543.36774	33.7
544.35834	1.3
561.37842	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
53.19533	1.7
55.01874	10.3
55.05511	55.2
57.03438	22.0
59.04989	7.5
61.02929	16.2
65.03928	3.3
67.05505	100.0
69.03432	9.1
69.07063	14.9
69.97392	6.6
70.06599	2.1
71.01347	3.6
71.05000	11.5
73.02908	8.6
75.04449	2.8
78.14524	1.7
79.05495	28.3
81.03421	19.9
81.07059	38.9
83.04985	17.7
83.08622	23.3
85.02909	45.0
85.06528	3.8
87.04478	11.3
91.03938	14.2
91.05459	15.8
93.07049	19.8
95.04990	8.1
95.08609	15.9
97.02889	18.3
97.06522	6.6
97.09540	2.6
97.10167	41.5
99.04443	2.2
103.03959	19.1
105.07012	7.2
107.04961	6.4
107.08603	21.7
109.02869	1.8
109.06501	4.9
109.10157	88.3
110.10458	1.8
111.04435	6.3
111.08080	6.3
115.03961	1.7
117.07007	5.6
119.04932	3.2
119.08578	12.6
121.06479	2.1
121.10149	6.8
123.08053	3.5
125.09629	51.5
127.03930	8.0
129.05534	2.9
129.06956	2.0
129.59747	1.8
130.07756	1.8
131.08542	5.8
133.10121	3.7
133.75110	1.6
135.11684	9.7
137.06001	4.4
137.09630	5.2
143.10675	9.5
145.04973	7.6
145.10144	8.2
147.04387	5.8
147.11780	2.1
149.09587	2.1
153.12743	18.0
155.10669	7.6
163.06017	6.6
163.11189	22.5
171.10092	1.8
173.04472	2.8
173.09641	4.3
173.11731	41.0
173.13176	2.5
181.12244	13.0
182.08540	2.0
187.26224	1.7
189.11220	4.0
191.10735	9.0
193.12192	4.5
199.13333	11.6
209.11726	19.3
217.14362	5.0
227.12775	27.3
229.14359	85.5
245.13843	4.7
257.13864	32.3
283.15381	35.3
301.16458	64.2
302.16907	2.0
319.17493	12.9
387.14648	2.1
399.23608	5.1
461.29028	2.6
469.14844	3.1
519.90961	2.3
561.29285	1.9
645.25568	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	756.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.6
53.03944	2.1
55.01870	3.7
55.05511	22.9
57.03436	12.1
57.07074	1.6
59.04996	2.9
61.02921	4.4
65.03934	3.1
66.34347	0.9
67.05502	49.7
69.03415	3.3
69.07055	11.0
69.65813	2.4
69.66206	7.9
71.01350	2.0
71.04986	1.8
71.07353	1.3
73.02945	2.1
76.37509	1.0
79.05489	35.0
81.03423	5.0
81.07058	54.0
83.04973	3.8
83.08611	16.4
83.09053	1.5
85.02918	3.6
85.06544	2.2
86.09698	6.5
89.33437	1.3
89.82961	1.1
91.05477	32.4
93.07040	46.0
95.04964	6.9
95.08604	35.4
97.02895	5.0
97.06536	3.7
97.10185	2.9
98.21471	2.1
99.00809	16.7
103.05469	1.5
105.07027	22.7
105.07684	2.1
107.04970	5.0
107.08586	22.1
109.02885	6.3
109.06509	3.0
109.10152	18.7
109.10846	1.8
109.43981	1.2
111.08099	3.3
115.03938	2.4
116.74171	1.1
117.07010	7.0
119.08595	15.9
121.02865	1.1
121.06510	7.1
121.10132	16.5
123.04431	1.7
123.08046	2.0
123.11710	6.8
125.00030	6.3
127.03931	2.8
128.06189	1.1
129.06976	2.0
131.08578	8.7
133.10124	37.6
135.08095	2.0
135.11687	11.3
137.06006	1.2
137.13303	1.4
139.07565	2.6
143.08556	5.2
145.06439	1.5
145.10100	5.9
147.11678	5.1
149.13266	4.2
151.11180	12.6
159.11652	5.8
161.09621	18.0
161.13268	4.1
163.14839	3.1
165.09143	1.1
171.08078	2.5
173.13292	3.2
175.14824	1.8
179.10678	9.2
184.07339	29.5
187.14844	2.4
189.09119	9.3
197.11807	3.7
201.16492	1.6
207.10204	3.8
225.11201	14.1
243.12314	3.5
243.21019	5.3
253.63847	1.3
261.22113	20.8
277.21695	1.4
281.13834	3.7
299.14883	88.2
300.15213	1.9
315.23248	2.2
317.24802	3.2
335.25787	100.0
336.26190	3.5
421.30838	1.4
449.30423	1.8
467.31665	3.5
513.35712	1.5
531.36761	2.3
541.35101	5.6
559.36292	50.7
560.36407	3.1
579.92932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.4
53.03942	3.3
55.01871	2.8
55.05265	1.2
55.05514	19.6
57.03232	1.0
57.03443	10.7
57.07075	2.7
59.04990	1.6
60.08148	1.4
61.02921	2.8
65.03931	2.7
67.05504	42.8
67.40964	0.8
68.19195	1.1
69.03440	2.2
69.07072	10.1
69.65932	6.7
71.04993	1.6
71.07421	1.0
73.02912	1.0
77.03902	1.4
79.05492	28.0
81.03408	3.8
81.07055	47.3
83.04977	3.4
83.08620	11.1
85.02906	3.7
85.06542	1.1
86.09722	7.3
91.03931	1.7
91.05482	30.8
93.07046	39.5
94.07396	1.0
95.04962	7.2
95.08607	31.2
95.49615	1.0
97.02879	4.8
97.06515	3.5
97.10180	2.8
97.69955	0.9
99.00806	14.8
103.05460	1.0
105.07032	18.8
105.43348	0.9
107.04948	5.2
107.07876	1.3
107.08588	19.6
109.02878	8.7
109.06514	3.3
109.10148	18.1
111.04475	2.4
111.08086	4.1
115.03927	2.3
115.05397	1.2
117.07029	5.9
119.08579	11.9
121.06499	5.4
121.10151	13.5
123.04453	1.0
123.08114	1.0
123.11671	6.3
124.99979	6.1
127.03890	4.3
128.06267	1.5
129.07022	1.2
131.08582	8.1
133.06500	1.8
133.10127	36.3
135.11700	9.7
137.05972	1.7
137.13287	1.8
139.07559	1.9
143.08577	5.1
145.10130	4.6
147.11694	3.6
149.13239	5.0
151.11172	10.1
157.10126	1.3
159.11685	4.8
161.09630	13.5
161.13257	3.2
162.09949	1.5
163.14851	1.8
171.08014	2.6
173.13266	4.1
175.14784	1.7
179.10674	8.3
184.07346	24.1
184.08990	1.5
187.14891	2.4
189.09076	7.9
189.10913	1.0
197.11739	3.7
207.10217	3.1
225.11215	13.5
227.12752	1.5
237.43687	1.0
243.12335	2.2
243.21153	5.5
261.22134	19.6
281.13907	4.7
299.14877	88.5
315.23203	2.2
317.24734	3.5
333.24359	1.1
335.25790	100.0
336.26077	2.1
439.32101	1.5
449.30524	2.7
467.31424	4.8
485.32590	2.6
513.35583	2.8
517.14691	1.0
541.35168	7.3
543.48474	1.0
559.36261	49.8
560.36652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01869	4.2
55.05511	15.4
57.03438	8.3
65.03932	1.2
67.05507	16.9
69.03429	3.9
69.07065	4.1
70.72295	2.9
71.04984	2.1
78.05641	1.0
78.54522	0.9
79.05500	20.7
81.03420	45.2
81.07057	15.5
83.05000	4.9
83.08614	14.0
85.06537	1.1
89.64501	1.0
91.05484	15.3
93.07044	13.3
95.04973	21.8
95.05564	1.8
95.08598	7.7
97.02921	1.7
97.06532	3.0
97.10169	15.3
103.05464	1.1
105.07026	11.3
107.04960	13.7
107.08590	7.7
109.06523	8.9
109.10166	5.0
111.08086	4.8
115.05473	1.2
117.07029	4.5
119.04990	1.2
119.08578	10.1
121.06496	10.1
121.10143	5.5
123.08068	3.3
123.11709	1.2
125.05982	1.1
125.09634	13.5
129.06981	8.1
131.04951	1.3
131.08578	7.8
133.06479	4.4
133.10130	3.8
135.08061	5.6
135.11646	1.7
142.07784	2.1
143.08607	2.1
145.06500	5.2
145.10115	4.0
147.04382	1.3
147.08047	6.0
147.11685	4.2
149.09618	3.6
153.09138	3.3
155.08566	1.4
157.06535	1.6
157.10136	7.4
159.11694	1.9
161.09547	1.2
163.11157	3.4
165.12820	1.1
166.60225	0.9
167.08583	1.5
169.10181	1.0
171.08087	1.1
171.11681	1.7
173.09587	1.2
175.11179	7.0
177.12759	1.0
187.11212	1.4
187.14833	1.3
189.09677	1.2
189.11241	5.6
189.12776	1.7
193.12248	13.6
197.13303	1.4
199.11159	1.9
205.12218	1.4
211.13197	1.3
213.12634	2.0
215.14523	2.0
219.13832	3.1
223.11093	1.2
227.12669	2.5
233.15443	4.0
235.13281	1.1
237.12669	1.4
250.58463	0.9
252.64969	1.0
255.13852	2.0
267.15915	39.6
273.14621	5.9
273.17355	1.2
287.16458	1.1
289.18185	1.0
293.17456	1.6
326.54480	1.1
339.23279	2.1
349.21609	3.5
357.24115	2.7
367.22696	15.9
385.23743	23.7
385.28430	1.7
403.24805	9.5
441.26297	8.1
459.27426	100.0
460.27551	3.0
477.28500	80.8
478.28833	2.4
491.30069	11.6
501.28223	2.7
509.31131	6.6
567.29346	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	754.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
53.83745	1.2
54.85286	1.1
55.01866	4.1
55.05502	1.8
57.03442	7.3
59.05008	1.6
61.02909	1.8
66.90416	1.2
67.01868	8.4
67.05499	2.8
68.74566	1.2
68.99767	1.7
69.03428	28.0
69.07055	1.6
69.45580	11.4
71.01360	1.2
71.04966	2.3
73.02903	4.0
79.05490	1.9
81.03417	12.0
81.07043	3.2
83.04971	3.2
85.02903	30.2
87.00842	10.6
87.04485	6.3
91.05471	4.4
93.03427	1.9
93.07057	1.9
95.04959	3.2
95.08624	2.3
97.02889	26.3
97.06540	1.4
99.04453	5.3
103.63068	1.4
105.01862	8.6
105.07018	1.3
107.04959	21.1
107.08580	1.5
109.02864	10.7
109.06532	1.6
109.10188	2.3
110.52097	1.4
111.04424	4.5
115.03915	8.6
118.06546	2.4
119.04919	3.2
119.08638	1.4
123.04439	3.5
127.03915	19.5
129.05495	3.2
131.04964	1.6
133.04956	3.3
135.04414	10.3
137.05980	2.8
139.03938	2.3
145.04955	8.3
145.06511	1.4
147.04393	4.6
147.07994	1.4
149.05974	3.8
150.07602	3.2
151.03897	2.8
153.05490	2.1
159.02931	4.5
159.08017	2.0
161.05975	4.2
163.07625	1.5
165.05476	100.0
166.05870	1.3
167.07001	2.9
176.04692	1.7
177.05478	2.6
179.07005	5.6
181.05106	1.5
189.09099	10.2
191.07004	34.4
195.73590	1.2
202.15968	1.4
205.04933	1.8
207.06535	4.0
207.10185	3.8
213.03999	2.5
221.11726	50.4
221.13889	2.8
230.15439	10.2
231.05011	4.9
236.66170	1.1
247.13301	43.4
248.16515	1.5
257.11844	1.6
269.08258	1.6
301.10785	11.5
304.19031	1.9
327.07187	1.7
343.11844	2.7
345.08261	2.1
353.15811	1.9
360.18442	1.3
367.11774	2.1
379.17374	1.7
389.16248	1.4
413.10483	4.4
419.67783	1.3
469.17111	31.2
549.15851	1.7
592.33008	2.5
601.21313	20.4
734.28503	1.4
754.40106	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	751.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.9
58.99850	2.3
62.55173	1.5
67.48631	1.5
69.03433	4.5
69.47769	13.1
72.81191	1.5
73.02897	2.2
77.00897	4.0
81.03430	2.0
84.96043	1.7
85.02892	6.5
85.98321	1.5
89.03922	3.3
91.05430	1.7
95.01963	1.9
97.02886	3.7
98.97571	5.1
101.00896	6.8
109.02859	2.9
111.17372	1.7
116.98623	4.8
117.03365	8.1
119.01925	30.5
123.01417	2.1
127.03952	3.2
131.01912	14.1
131.96239	1.8
133.03513	2.4
134.99648	3.3
135.04356	3.5
137.02962	8.3
137.05882	1.8
143.00204	2.3
143.01904	24.0
145.02715	30.1
145.04623	3.4
146.99641	4.2
147.01395	5.2
147.04431	4.8
149.02921	2.2
149.05980	3.0
155.01886	14.4
157.03453	10.6
158.99718	1.6
161.01451	2.7
161.02939	38.9
163.03864	23.2
167.01981	4.1
169.03464	5.1
171.05022	3.0
173.02953	29.0
174.03497	1.6
174.96831	1.8
175.04555	5.1
176.57820	1.5
177.00772	3.8
177.05470	100.0
184.04559	2.2
185.01228	1.5
185.02951	38.9
187.04491	10.0
189.00755	2.5
191.04004	2.3
194.04242	2.5
197.02917	13.3
201.00731	2.8
202.85719	1.8
203.02107	2.4
203.03992	16.6
207.04979	2.4
209.03072	1.7
211.04512	2.1
215.04010	11.2
217.03653	2.6
219.01717	3.9
220.02223	2.3
221.02982	25.7
221.05009	3.6
223.04494	2.8
227.04054	8.6
234.03743	4.4
235.04517	15.5
237.00743	4.5
237.02850	3.4
238.03290	6.4
239.04140	11.4
244.02420	2.0
245.05077	66.9
246.05418	2.6
246.97935	2.2
252.04877	1.8
253.05592	6.5
255.01869	2.5
257.05115	7.2
259.04581	30.3
260.04953	2.2
261.02878	5.6
262.03238	16.3
263.03909	5.0
263.06271	7.6
265.03995	2.2
271.04440	2.5
271.06650	13.1
275.06259	9.4
277.00040	6.9
277.05624	29.0
278.05981	1.8
279.03772	2.1
281.05054	6.1
285.06073	3.0
288.04562	2.2
288.98975	4.3
289.05771	2.0
291.03799	2.9
291.07065	3.2
293.03513	3.1
295.06631	59.9
300.07178	2.0
301.05762	1.6
303.03561	1.9
303.07159	3.4
305.07315	4.6
307.01151	2.2
307.06607	2.7
309.08017	5.2
311.06268	1.8
313.07718	15.4
318.08313	1.9
319.06628	3.2
321.08218	6.8
323.06171	3.7
325.07608	1.9
331.06613	6.5
335.04709	2.0
337.07700	10.6
345.04364	2.2
345.20880	1.6
349.07712	2.3
353.07343	2.0
363.05508	4.1
365.07318	5.4
377.05850	4.7
379.08762	11.0
381.06653	10.3
383.08243	5.5
391.05188	6.6
395.06671	4.7
397.09851	9.5
407.08337	1.5
409.05936	8.5
427.07211	17.7
451.07111	12.8
461.09225	2.7
463.07089	4.3
469.08328	68.6
470.08499	3.2
477.85269	1.6
481.08429	8.3
487.09308	2.6
492.10114	2.8
499.09445	8.5
511.09253	5.7
529.10193	8.9
535.08917	2.8
545.12335	5.8
553.10400	17.4
559.15216	3.5
571.04669	1.8
571.11548	24.8
572.11841	2.2
589.12183	6.3
733.16327	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	748.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
53.94588	0.7
55.01871	3.5
55.05520	1.2
55.60039	0.8
56.79156	0.6
57.03437	9.6
58.16038	0.6
59.05001	100.0
61.02925	2.3
65.03937	0.8
67.05502	1.4
68.10683	0.7
68.99789	2.0
69.03427	18.9
71.05004	2.3
71.58937	1.4
71.59296	0.9
73.02923	2.8
78.03435	1.4
79.05512	2.1
81.02931	1.1
81.03415	18.4
81.07068	2.4
83.01379	0.8
83.04951	0.8
83.08624	0.7
85.02904	37.6
86.03200	0.9
87.00826	11.9
87.04458	1.2
88.82967	0.8
89.03317	0.7
91.03973	1.4
91.05511	2.2
93.07043	1.6
95.04981	1.4
95.08602	1.1
96.04491	49.4
97.02899	15.9
97.04827	1.1
98.06078	0.9
99.04477	6.1
99.08110	1.8
101.09655	1.8
105.01865	11.8
105.03375	0.8
105.07036	1.5
107.04976	2.5
107.08598	1.2
109.02877	23.4
115.07556	5.1
117.01884	2.4
117.07051	1.3
117.09128	46.7
119.04967	2.6
119.08572	1.0
121.02917	1.0
121.06499	0.9
123.04459	0.9
127.03918	27.4
129.01840	1.7
131.04959	0.8
133.06476	1.4
134.07292	3.1
135.08041	4.8
135.10199	1.6
136.07562	11.8
136.08505	1.0
137.05986	1.0
141.01840	0.8
145.04958	10.4
145.06102	1.0
145.06555	1.3
147.02937	1.7
149.02327	10.3
151.04036	1.0
158.11809	2.5
159.02902	6.8
159.27963	0.8
167.03400	49.5
167.07121	1.8
173.06018	1.5
175.13306	24.7
201.05455	6.5
205.08589	1.6
206.27597	0.7
206.29529	0.7
213.03966	2.4
231.04926	5.8
233.17447	9.5
240.83170	0.8
243.10182	6.2
249.06241	1.2
251.18584	1.9
283.06036	10.8
291.21762	2.0
309.22928	2.5
338.13873	38.8
339.11896	9.1
483.35269	6.1
531.11456	3.7
580.86951	0.9
587.17523	12.6
748.34271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
57.03437	2.1
61.02930	4.8
61.03178	0.8
67.05508	8.6
69.03440	4.8
69.07066	1.5
71.04976	2.1
71.08604	1.1
71.59816	1.1
73.02899	4.4
79.05492	3.5
81.03413	5.0
81.07054	5.7
83.08620	2.5
85.02915	6.4
89.06044	1.5
91.03954	3.4
91.05482	2.9
91.34572	0.9
93.07050	4.0
95.04955	1.6
95.08601	3.0
97.02888	5.5
99.04443	1.8
101.02372	1.5
105.07035	4.3
107.08591	2.1
109.02903	1.6
109.10171	2.5
119.08614	2.2
121.10136	1.5
123.11761	1.1
127.03934	2.6
131.08545	1.1
133.10147	1.0
135.11719	1.3
136.70097	0.9
137.09636	1.5
142.54248	0.9
144.77423	0.9
147.11725	1.8
185.04393	0.9
193.12277	1.7
243.08356	2.0
253.14200	1.1
267.16147	1.9
313.27478	3.3
421.20450	1.0
469.20355	1.4
471.21973	1.9
505.38766	2.0
519.29370	6.3
604.65369	1.1
749.44348	100.0
750.44763	4.2
773.79651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01868	2.9
57.03434	0.6
65.03937	5.7
67.05502	2.0
69.03425	1.8
69.68082	4.1
75.04469	2.5
77.03967	0.6
78.04707	2.2
79.05495	6.7
81.03413	2.3
82.04185	0.8
85.02915	5.7
89.03881	0.7
91.05481	10.2
93.03408	8.3
93.07032	5.1
95.04973	5.7
95.08560	0.6
96.05699	0.8
97.06531	2.4
103.05463	22.1
105.03412	1.9
105.04541	0.7
105.07037	8.8
106.04179	13.4
107.04958	10.0
107.08578	1.2
109.06507	2.1
110.03675	2.8
111.04435	2.3
115.05450	5.7
117.03360	0.7
117.07033	3.2
118.04164	5.7
119.04949	3.6
119.08608	1.0
120.05732	1.1
121.02840	0.9
121.06501	16.0
122.03602	0.7
123.04424	6.0
124.05212	2.9
125.06007	6.7
129.07022	0.9
130.04195	1.8
131.04933	23.0
131.08556	0.6
132.05692	2.1
133.02856	2.3
133.06488	10.5
134.03632	3.6
135.04422	2.5
135.08070	2.9
137.05968	4.9
138.03085	1.8
138.06799	1.0
139.07510	2.0
141.06943	0.9
142.02592	1.4
143.04968	1.0
144.05713	1.7
145.02834	1.5
145.06479	6.1
146.03621	1.4
146.07269	0.7
147.04382	2.3
147.08054	2.5
148.05173	12.5
149.04767	1.3
149.05975	25.3
151.02129	0.7
151.03899	3.7
151.07562	3.3
152.04666	1.9
153.05466	3.4
153.07130	0.7
153.09100	8.1
155.05989	0.9
156.05742	0.7
159.04382	0.8
159.08064	1.5
160.05212	2.0
161.05975	10.3
162.01337	1.6
163.03860	2.8
163.07536	24.1
165.05498	2.8
165.09111	0.8
166.06253	1.3
167.07037	66.3
168.07442	1.4
169.58255	0.7
171.06552	4.3
173.05995	5.3
174.06673	0.8
175.07509	3.8
176.04657	4.1
177.05473	19.6
177.09027	1.3
179.01656	1.5
179.07057	2.3
181.04956	80.4
181.08522	15.9
182.05325	1.2
187.07556	3.6
190.00833	1.6
190.06226	1.7
191.07028	100.0
192.07634	2.6
193.04913	1.6
193.06912	0.9
193.08592	4.6
195.06480	5.1
197.08049	0.7
201.05528	1.3
203.07039	4.0
205.06839	0.8
205.08481	3.7
207.06506	1.7
207.10153	2.0
208.01860	1.5
209.08086	85.3
210.08507	1.7
213.05455	0.7
217.08583	3.0
219.06459	0.8
219.08243	1.1
219.10114	6.8
221.08055	1.3
222.06830	0.7
223.04236	17.9
223.06267	1.2
225.07596	2.2
231.06522	1.0
233.08037	4.5
235.07498	1.9
235.09666	6.6
236.08183	0.8
237.09219	1.0
241.08565	0.7
245.08072	1.7
251.09146	0.9
253.08554	1.0
257.07999	1.3
257.11948	0.8
260.75424	0.9
263.06577	1.6
263.09174	22.1
265.08603	1.4
267.10126	4.1
295.09677	1.0
297.11224	2.5
306.08777	0.8
307.09668	1.2
312.09067	2.5
323.09033	0.9
325.10724	3.1
329.13788	1.3
333.41785	0.7
337.10489	1.3
339.12350	1.0
352.09558	0.9
355.11523	1.1
357.13287	7.0
359.14822	0.7
367.11661	2.2
369.13638	1.0
371.14944	1.3
381.13293	0.8
385.12726	13.9
387.14282	1.9
399.14572	4.4
417.15417	13.8
431.79041	0.7
458.10806	0.8
577.20636	1.3
609.23248	1.4
645.24707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01874	3.2
56.44941	0.6
65.03940	6.7
67.05502	2.4
69.03436	1.8
69.27301	8.8
71.04955	0.8
75.04477	2.9
78.04712	2.8
79.05495	5.9
81.03435	2.5
81.07034	1.0
82.04190	1.2
85.02899	4.4
89.03928	1.7
89.06036	0.9
91.05486	12.5
91.58090	0.7
93.03413	7.9
93.07043	3.1
95.04964	7.9
97.06540	3.5
103.05473	21.7
105.03370	2.0
105.04507	1.5
105.07054	7.3
106.04188	17.5
107.04962	11.5
109.06500	1.6
110.03677	2.4
111.04436	2.2
115.05453	5.9
116.06240	1.0
117.07048	4.2
118.04162	5.8
119.04950	2.7
120.46851	0.8
121.05650	1.5
121.06508	19.8
122.03697	0.8
123.04441	5.6
124.05235	3.0
125.05986	9.5
128.06198	1.7
128.19696	0.8
129.06953	1.9
130.04099	1.4
131.04933	21.3
131.08557	1.7
132.05696	1.5
133.02882	1.3
133.06493	8.7
134.03642	3.5
135.04417	2.2
135.08066	2.2
136.07620	1.4
137.05978	6.3
138.03113	1.8
138.06816	0.9
139.07547	1.5
142.02621	2.1
143.04950	1.5
144.05669	2.1
145.02835	1.6
145.06479	7.2
146.03593	1.6
146.07228	0.8
147.04407	2.7
147.08038	1.6
148.05206	14.3
149.05986	28.3
151.03894	3.1
151.07553	2.0
152.04620	1.7
153.05486	4.3
153.09093	7.9
157.06491	1.5
159.04468	1.0
159.08054	1.7
160.05275	1.1
161.05991	10.8
162.01379	2.0
163.03893	1.9
163.07549	24.8
165.05447	2.3
165.09111	0.9
166.02724	0.9
167.07050	62.1
171.06569	4.3
173.06018	6.4
174.06734	0.8
175.04063	0.9
175.07559	4.3
176.04686	2.8
177.05482	22.7
178.06134	1.0
179.01619	1.1
179.99446	0.9
181.04968	76.4
181.08554	17.9
182.05357	1.3
187.07532	3.6
189.05440	1.5
189.09178	1.7
190.00909	2.0
190.06277	2.1
191.07042	100.0
192.07582	2.5
193.04941	0.8
193.08615	2.7
195.06512	5.1
201.05534	2.1
203.07016	2.4
205.08546	3.7
206.14951	0.8
207.06522	1.9
207.08269	1.3
207.10226	2.2
208.02025	1.3
209.08101	89.3
217.08669	2.0
219.08231	1.3
219.10205	5.2
221.08087	1.7
223.04248	17.9
223.07562	0.9
224.08047	1.0
225.07593	1.9
233.08061	6.2
235.07552	1.8
235.09698	5.5
237.08969	1.3
245.08076	2.0
250.06297	0.9
252.07985	0.9
263.06519	1.5
263.09155	21.1
267.10120	2.5
279.10034	0.9
295.09586	1.7
297.11270	2.5
307.09634	1.3
312.09015	2.8
325.10690	5.0
327.12207	1.0
335.09271	1.5
337.10602	1.0
339.12283	1.9
357.13345	8.0
359.15091	1.2
367.11652	1.8
369.13522	2.2
385.12891	12.7
399.14465	3.1
417.15372	13.3
453.32034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10419	0.4
53.03949	2.7
55.01860	2.6
55.05521	0.8
57.03441	2.4
59.05007	0.8
61.02918	1.3
65.03966	0.5
67.05507	1.1
68.99783	1.6
69.03431	12.4
71.04986	1.7
71.58990	0.8
72.08138	0.4
72.88472	0.4
73.02926	2.3
78.03457	2.2
81.03419	10.9
81.07043	1.7
83.53262	0.4
85.02908	27.2
87.00831	8.4
87.02814	0.4
87.04473	0.6
91.05474	1.9
93.07038	0.9
95.04967	0.6
95.08667	0.6
96.04494	100.0
97.02896	10.0
97.04855	0.5
99.04469	4.4
103.03956	0.7
105.01868	9.5
105.07001	1.0
107.04922	1.0
107.08572	0.4
109.02885	14.3
115.03909	0.9
117.01888	0.9
117.07026	1.3
119.04926	2.7
123.04346	0.5
127.03918	20.2
128.06259	0.7
129.01839	1.2
131.04987	0.5
133.06494	0.6
134.07285	2.9
135.08092	1.8
136.07614	2.3
137.05984	0.6
145.04973	8.2
145.06464	1.3
147.02921	1.6
149.01198	0.7
149.51585	0.4
158.11790	0.6
159.02899	6.0
173.05968	0.9
177.05513	0.5
180.77658	0.4
189.03961	0.9
201.05455	6.7
202.14468	0.5
213.04018	1.3
231.04953	5.0
243.10168	6.9
243.12514	0.5
249.05928	0.9
249.39966	0.5
338.13870	38.9
339.14420	0.8
424.27225	0.5
471.03781	0.5
500.19113	1.4
609.70813	0.5
748.32849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10419	0.4
53.03949	2.7
55.01860	2.6
55.05521	0.8
57.03441	2.4
59.05007	0.8
61.02918	1.3
65.03966	0.5
67.05507	1.1
68.99783	1.6
69.03431	12.4
71.04986	1.7
71.58990	0.8
72.08138	0.4
72.88472	0.4
73.02926	2.3
78.03457	2.2
81.03419	10.9
81.07043	1.7
83.53262	0.4
85.02908	27.2
87.00831	8.4
87.02814	0.4
87.04473	0.6
91.05474	1.9
93.07038	0.9
95.04967	0.6
95.08667	0.6
96.04494	100.0
97.02896	10.0
97.04855	0.5
99.04469	4.4
103.03956	0.7
105.01868	9.5
105.07001	1.0
107.04922	1.0
107.08572	0.4
109.02885	14.3
115.03909	0.9
117.01888	0.9
117.07026	1.3
119.04926	2.7
123.04346	0.5
127.03918	20.2
128.06259	0.7
129.01839	1.2
131.04987	0.5
133.06494	0.6
134.07285	2.9
135.08092	1.8
136.07614	2.3
137.05984	0.6
145.04973	8.2
145.06464	1.3
147.02921	1.6
149.01198	0.7
149.51585	0.4
158.11790	0.6
159.02899	6.0
173.05968	0.9
177.05513	0.5
180.77658	0.4
189.03961	0.9
201.05455	6.7
202.14468	0.5
213.04018	1.3
231.04953	5.0
243.10168	6.9
243.12514	0.5
249.05928	0.9
249.39966	0.5
338.13870	38.9
339.14420	0.8
424.27225	0.5
471.03781	0.5
500.19113	1.4
609.70813	0.5
748.32849	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01858	0.5
55.05505	1.7
57.03433	2.1
61.02924	5.7
61.80355	0.4
67.05502	6.9
69.03432	3.3
69.07053	1.7
69.28136	0.5
69.58595	0.9
69.59005	1.9
71.04996	0.7
73.02915	4.3
74.06634	0.5
79.05494	4.4
81.03419	1.8
81.07066	5.5
83.04948	0.6
83.08634	0.8
85.02903	5.9
90.91288	0.4
91.03957	3.5
91.05476	2.7
92.80775	0.4
93.07031	5.7
95.04977	1.2
95.08601	5.3
97.02888	4.6
98.20792	0.8
99.04464	0.9
101.02386	1.9
103.03950	0.6
105.07040	1.7
107.04991	0.7
107.08585	3.2
109.06548	0.4
109.10168	2.0
116.97060	0.4
117.07002	0.7
119.08611	1.6
121.10162	1.7
123.11726	0.8
127.03933	1.8
131.08598	0.9
132.63176	0.4
133.10127	1.0
135.11684	2.4
145.10168	1.5
147.11726	0.8
149.13289	0.6
158.50697	0.4
159.11749	0.5
163.11200	2.2
193.54152	0.5
203.05325	0.8
207.73013	0.4
227.12891	1.0
243.08394	2.4
249.10988	11.9
305.13715	1.2
337.27545	0.5
414.10211	0.4
467.18936	5.1
519.29309	10.2
539.20569	0.5
548.40222	0.6
708.35706	0.5
745.41272	100.0
746.41797	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.05500	2.3
56.16050	0.9
57.03434	2.4
61.02929	6.9
63.20026	1.0
67.05511	6.6
69.03429	3.7
69.07066	2.3
71.04994	1.0
71.60223	1.3
73.02917	5.2
77.65302	0.8
79.05500	4.3
81.03410	2.6
81.07067	8.7
83.08613	2.6
85.02906	6.5
87.04465	1.1
91.03945	4.3
91.05475	3.5
93.07043	2.7
95.04960	1.1
95.08606	7.3
97.02885	5.5
99.04475	1.5
101.02378	3.5
105.07050	2.4
107.08617	2.4
109.10181	2.4
117.79065	1.0
119.08575	1.3
121.10174	1.4
127.03935	1.9
133.10110	1.6
135.11713	3.5
145.10143	1.2
145.97270	1.0
162.88098	1.0
163.11124	2.0
227.12837	1.5
243.08522	3.0
247.32845	1.0
249.11018	12.0
275.16391	1.0
290.02618	1.1
292.15005	1.2
305.13602	2.2
337.27512	1.2
467.18848	6.2
506.39468	1.9
521.30865	9.8
747.42822	100.0
748.43115	6.6
771.41205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
55.52776	1.1
57.03437	1.6
61.02915	3.7
67.05489	6.4
69.03421	3.6
71.08626	1.5
71.59843	1.8
73.02912	3.7
74.10567	1.4
79.05493	3.0
81.03434	1.9
81.07050	5.4
85.02905	3.4
88.31734	1.0
89.06095	1.1
91.03941	1.2
93.07032	3.3
95.08620	4.1
97.02908	4.4
101.02396	1.5
107.08610	3.3
110.10485	1.2
111.38377	1.4
111.59478	1.4
119.08569	2.2
121.10136	1.4
123.11733	1.5
135.11708	3.3
163.11229	3.0
227.12830	2.3
243.08536	1.7
249.10919	6.4
319.49728	1.2
351.01007	1.3
397.34424	1.3
467.18875	9.2
521.31274	4.6
747.42896	100.0
748.43475	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	748.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.85328	0.3
53.89748	0.3
55.01865	1.3
55.05492	0.7
57.03435	1.8
58.37769	0.3
61.02920	1.5
67.05502	0.7
68.99795	0.8
69.03427	10.5
70.56494	0.6
70.56859	0.6
71.04984	1.2
72.26860	0.3
73.02925	1.9
78.03445	2.4
79.05485	0.5
81.03418	9.4
81.07059	0.6
81.20561	0.3
83.04977	0.6
85.02903	20.8
85.32042	0.3
87.00835	4.6
87.04447	0.5
91.03959	0.5
91.05499	0.9
93.07060	0.5
95.04948	0.6
95.08608	0.4
96.04488	100.0
97.02889	7.4
99.04456	3.3
103.03947	0.8
105.01867	4.9
105.07008	0.6
107.04936	0.6
107.08606	0.3
109.02119	0.5
109.02878	10.7
109.06510	0.3
109.10162	0.3
111.04429	0.6
111.55237	0.3
115.03938	0.4
116.06268	0.4
117.01872	1.0
117.07058	0.8
119.04948	1.1
121.02880	0.5
121.06499	0.4
121.10143	0.3
123.04495	0.4
123.19760	0.3
125.02312	0.4
127.03912	15.0
129.01840	1.2
129.07027	0.4
133.06511	0.4
134.07286	1.2
135.08052	1.0
136.07562	2.8
139.03915	0.5
145.04977	4.5
145.06458	0.7
147.02875	1.1
153.05473	0.9
158.11772	0.4
159.02879	3.7
167.06999	0.6
171.03017	0.3
173.05998	0.4
187.06000	0.8
189.03972	0.7
201.05469	2.4
213.03941	1.1
213.05721	0.3
231.04970	3.5
243.10187	3.5
249.06020	0.5
309.11346	0.4
337.21078	0.3
338.13852	22.7
341.14075	0.4
405.45816	0.3
434.90433	0.3
448.61920	0.3
586.19250	6.8
748.36371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30541	1.2
70.06591	90.2
70.51804	3.1
70.52192	2.7
74.06085	2.4
78.97992	1.2
84.04525	4.1
84.08144	15.3
112.07603	100.0
129.10245	6.8
130.08661	5.5
140.07062	68.8
143.23874	1.5
145.02859	1.8
147.04411	2.3
147.11288	4.0
157.09708	17.3
157.10725	1.4
163.03940	4.5
185.00900	1.3
197.00352	1.4
203.10434	2.0
231.09723	1.8
237.03171	1.7
240.13501	3.0
248.16141	4.6
268.12860	10.7
333.15759	1.3
351.16623	8.0
355.70935	1.4
359.19479	1.9
369.17859	3.5
478.25388	2.8
480.20880	6.0
498.22055	2.0
618.23474	1.5
727.37079	2.8
745.37262	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	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.3
57.03422	6.9
57.07080	2.2
59.05002	2.1
61.02917	3.7
65.03940	3.8
67.05505	97.1
69.03423	4.1
69.07069	10.8
71.04997	18.4
79.05498	34.2
81.03415	2.7
81.07057	49.2
81.78183	2.2
83.04974	5.6
83.08611	9.2
85.02897	3.8
91.05485	22.8
93.07040	42.4
95.04977	5.9
95.08609	34.9
97.10155	2.5
105.07021	11.2
107.08578	19.5
109.10160	63.8
111.08085	3.0
117.07018	6.8
119.08571	15.4
121.10139	16.1
122.25709	2.2
123.11752	3.1
125.09628	2.5
131.08580	6.9
133.10124	7.5
135.11684	20.9
137.09645	5.9
145.10155	8.1
147.11671	4.9
149.13254	2.5
159.11696	2.5
169.12267	2.6
173.11717	6.4
178.93828	2.5
193.12402	2.5
199.93864	2.4
211.13423	2.5
229.38036	2.9
243.15857	3.6
255.15930	4.2
285.16968	3.7
287.18408	13.5
323.19083	2.3
335.25760	28.0
337.27444	5.1
489.35733	100.0
490.36258	3.4
515.37213	14.3
547.39954	72.0
548.40198	3.2
648.63184	2.5
698.34631	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
55.05511	17.5
57.03445	13.7
57.07078	2.4
62.81710	2.1
67.05505	41.5
68.05828	3.7
69.03423	3.9
69.07064	18.3
69.57885	11.7
69.58309	6.4
71.05000	4.0
79.05483	21.9
81.03413	42.0
81.07058	46.6
83.04964	6.5
83.08619	21.6
85.02906	14.9
85.06527	3.5
87.91723	2.0
91.05473	25.1
93.07042	16.7
95.04954	16.4
95.08612	27.4
97.02863	3.6
97.06541	4.6
97.10181	7.0
98.20755	4.9
105.07035	16.4
107.04912	2.2
107.08592	8.4
109.06482	3.0
109.10175	8.6
111.08084	4.9
115.05416	2.5
119.08591	13.1
121.10148	8.7
123.11727	4.7
125.09666	3.5
129.07018	5.8
131.08572	7.9
133.10135	5.9
135.11720	3.9
147.08055	3.5
147.11671	8.7
149.09630	4.2
157.10141	6.9
165.12753	3.2
175.11194	7.8
176.30026	2.3
193.12215	26.7
198.64699	2.3
211.13300	36.5
227.12805	4.7
267.15887	9.9
285.16971	35.8
286.17401	3.5
337.27338	46.8
460.98941	2.3
471.13168	2.7
517.78595	2.3
529.38696	8.9
547.31451	4.9
547.39905	100.0
548.39746	6.7
572.22858	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	744.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.05508	16.2
57.03439	10.1
57.07071	2.2
61.02914	1.8
65.03921	2.0
67.05171	2.7
67.05505	37.7
69.03419	2.5
69.07057	16.4
70.85396	3.6
70.85760	2.3
79.05486	15.3
81.03416	31.7
81.07056	37.5
82.50707	1.6
83.04979	7.4
83.08611	19.8
85.02911	12.7
85.10197	2.2
89.06018	3.7
91.05488	19.7
93.07043	16.9
93.71066	2.0
95.04967	14.9
95.08605	28.1
97.02866	2.8
97.06534	2.6
97.10174	5.3
98.51202	1.8
101.39215	2.0
105.07019	12.5
107.04964	2.4
107.08580	6.5
109.06516	2.9
109.10157	12.0
111.08080	4.7
117.07081	2.3
119.08603	12.0
121.10143	8.4
123.11713	5.3
129.07002	3.4
131.08577	5.5
133.10132	7.0
135.11678	4.1
147.11679	8.6
149.09496	2.2
157.10127	5.8
161.13260	2.9
163.77951	2.0
175.11176	6.0
193.12254	17.8
211.13295	30.7
262.07993	1.8
263.23770	3.1
267.15930	7.0
285.16962	34.1
337.27359	60.0
338.27649	2.6
379.80862	1.7
529.38806	5.7
547.39905	100.0
548.40009	4.7
723.53259	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97192	2.6
53.03942	3.1
55.05520	18.5
57.03433	15.1
57.07068	4.4
58.22860	2.2
58.78968	2.3
58.82775	2.6
61.02941	3.9
61.24390	2.4
65.03930	2.9
67.05505	77.5
67.49174	2.8
69.03424	3.7
69.07069	18.8
69.43307	25.0
71.05005	4.9
71.08608	3.1
79.05489	39.7
81.03423	3.0
81.07056	100.0
83.04971	6.1
83.08624	12.8
84.78146	2.7
85.06528	7.8
91.05482	31.4
93.07043	60.5
95.04983	9.3
95.08611	37.1
97.06530	10.2
97.10161	2.9
98.20797	5.2
99.08119	2.7
102.89000	3.1
105.07012	17.6
107.08593	27.9
109.10146	21.3
111.08098	7.3
117.07021	10.7
119.08620	13.9
121.06558	4.9
121.10148	19.9
123.11668	13.0
131.08554	16.4
133.10135	17.0
135.11682	13.6
145.10107	6.3
147.11693	4.3
149.13228	17.9
151.11151	3.8
159.11708	12.4
175.14836	3.2
177.12746	6.4
179.69810	2.9
187.13300	4.6
195.13861	8.6
215.72697	2.6
243.15906	24.1
243.20898	2.5
261.22217	8.0
269.17450	36.1
287.18478	30.1
311.72784	3.2
335.25812	57.6
503.37338	90.4
503.44873	4.4
504.37344	4.3
521.38580	3.3
529.39008	8.4
547.39880	41.2
706.36188	3.7
711.34833	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.6
55.05517	22.9
57.03425	12.0
57.07069	4.5
58.14320	3.1
61.02910	3.6
67.05502	79.4
69.07052	13.4
71.04972	8.1
73.02912	3.2
74.30856	3.1
75.80125	3.0
79.05488	41.0
81.03411	8.4
81.07056	100.0
82.45296	3.1
83.04971	4.1
83.08610	12.8
85.02902	6.5
85.06547	7.5
91.05474	24.4
93.07039	61.0
93.89146	2.9
95.04969	9.0
95.08602	33.9
97.06518	9.7
97.10167	3.6
98.21490	8.6
105.07049	20.1
107.08591	23.8
109.06541	3.1
109.10138	14.5
117.07023	10.9
119.08549	11.1
121.06482	4.1
121.09418	2.9
121.10152	18.8
123.11707	13.1
129.06998	4.1
131.08540	14.4
133.10114	25.5
135.11679	11.9
145.10161	4.2
147.11626	6.6
149.09618	4.7
149.13269	15.8
151.11200	6.5
151.73566	3.4
157.10068	4.6
159.11649	10.2
163.14810	3.4
177.12801	7.0
187.11700	3.3
187.13303	8.9
193.12239	4.9
195.13829	8.9
211.13361	4.5
218.98106	3.2
243.15889	22.7
246.19429	3.9
261.22168	10.9
267.15833	5.0
269.17474	17.8
285.16818	7.3
287.18558	35.0
335.25778	43.7
336.25974	4.0
337.27243	12.1
503.37308	85.7
514.11688	3.1
521.38440	4.1
529.39001	7.7
547.39844	44.7
745.41077	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.2
55.01862	1.5
55.05307	1.3
55.05513	15.1
57.03432	10.8
57.17820	1.1
61.02915	3.6
65.03921	1.9
67.05504	39.9
69.03424	4.0
69.07066	10.5
69.27766	14.2
71.04995	4.3
73.02927	1.2
79.05491	35.2
81.03418	49.5
81.06578	2.6
81.07056	47.2
82.33247	1.1
83.04979	14.9
83.08611	18.7
85.02900	18.7
85.06548	2.1
91.05479	29.4
93.07042	35.5
95.04973	20.1
95.08604	27.6
97.02868	2.7
97.06499	3.3
97.10172	3.8
99.08021	1.3
105.07030	22.5
107.04942	5.3
107.08593	17.6
109.06524	3.6
109.10155	9.1
111.04440	2.3
111.08085	8.3
113.05981	1.4
117.07006	4.6
119.08582	19.2
121.10142	15.1
123.08085	2.8
123.11727	3.4
129.07027	9.1
129.16936	1.5
131.08549	10.7
133.06471	2.2
133.10120	11.6
135.11703	7.6
137.09616	1.9
142.07802	1.6
145.10133	4.8
147.08058	2.5
147.11674	9.9
149.09569	3.3
149.13243	2.8
151.11221	1.8
157.10121	9.2
159.11700	1.9
161.13184	1.4
163.14862	2.2
165.12746	3.5
173.13301	2.6
175.11180	10.8
187.14763	1.4
193.12242	30.8
211.13292	47.6
227.12679	1.8
227.20013	1.9
261.17642	1.5
261.22137	7.2
267.15930	9.0
276.80557	1.2
285.16971	45.7
317.24585	2.4
321.63364	1.4
335.25790	53.2
336.26312	1.5
368.72180	1.4
453.34250	2.2
471.33606	1.2
527.37170	5.9
545.38373	100.0
546.38696	3.0
742.45148	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01870	4.6
55.05252	2.6
55.05508	23.5
57.03209	1.5
57.03436	14.7
57.07070	3.9
61.02930	2.2
65.03940	1.9
65.17844	1.6
66.63403	2.0
67.05504	68.0
69.07068	27.8
69.69250	13.1
71.04993	2.6
79.05067	2.7
79.05495	44.7
79.58995	1.7
81.03410	6.0
81.07055	72.3
83.04967	7.9
83.08624	18.2
85.02917	2.6
85.06546	4.1
86.58772	1.9
91.05481	22.4
93.07042	54.2
95.04966	11.7
95.08604	70.8
97.02880	5.1
97.06531	9.2
97.10149	7.2
98.20865	3.8
99.04453	4.1
99.08070	3.1
105.07036	18.2
107.04951	10.1
107.08586	38.2
109.06524	4.4
109.10158	18.6
111.04450	2.9
111.08053	4.7
117.07023	10.8
119.08584	19.3
119.10969	1.6
121.06502	7.0
121.10144	18.6
123.11684	6.9
125.05965	2.3
129.07031	2.2
131.08565	5.9
133.10129	12.0
135.11694	52.8
145.10117	30.8
147.11702	8.9
149.13251	3.5
153.12717	2.5
163.11179	61.5
163.14728	2.1
168.92863	1.9
181.12288	9.8
211.13339	1.9
227.12785	81.1
238.01073	2.0
261.22256	2.4
267.15942	2.8
283.15399	88.5
283.18533	4.4
284.15622	2.4
285.16949	18.9
335.25760	23.4
337.23187	4.4
337.27344	88.9
503.37247	2.7
545.38409	100.0
546.38708	4.2
757.10675	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01866	1.8
55.05265	1.3
55.05509	14.5
57.03432	8.7
57.07066	2.2
61.02909	1.1
62.44986	0.8
65.03918	2.0
67.05502	33.9
69.03429	1.6
69.06722	1.2
69.07066	16.1
71.04973	2.0
71.08628	1.2
71.60176	1.0
73.02909	1.1
79.05493	21.1
81.03391	1.7
81.07051	38.9
81.63614	0.6
83.04967	2.9
83.08618	11.1
85.02901	1.1
85.06523	1.0
86.09662	1.0
86.13454	0.6
86.22183	0.7
91.05473	10.9
93.04488	0.7
93.07037	27.3
95.04953	6.2
95.08604	44.1
97.02873	2.9
97.06561	3.9
97.10168	4.1
99.04437	3.2
99.08119	0.8
105.06386	1.2
105.07036	10.2
107.04970	4.0
107.08591	20.0
109.06496	1.3
109.10151	11.0
111.04403	1.7
111.08073	1.4
117.07038	5.3
119.08577	9.8
121.06513	2.7
121.10137	10.9
123.08085	0.7
123.11694	4.2
125.05984	1.8
125.09563	0.8
129.07027	0.8
131.08536	1.3
133.10147	5.3
135.08032	1.4
135.11685	32.6
137.13231	1.2
145.09038	1.4
145.10121	17.8
147.11650	2.3
149.13283	1.4
153.12717	1.1
160.48151	0.6
161.13268	1.4
163.11179	35.3
163.14803	1.2
175.14828	0.9
181.12209	5.1
184.07370	1.7
209.11757	1.0
227.12762	45.8
249.90984	0.9
259.61020	0.7
261.22397	0.8
263.23599	1.7
283.15393	45.5
285.16849	3.3
306.87698	0.7
335.25818	5.0
337.27350	100.0
338.27759	1.7
543.51984	0.7
545.38367	84.7
546.38477	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01881	3.1
55.05515	21.8
57.03436	17.5
57.07071	3.1
61.02924	4.3
65.03933	4.1
67.05507	72.0
69.03429	5.9
69.07065	16.9
70.04829	9.0
71.04987	7.4
73.02906	2.3
79.05494	55.5
81.03423	50.4
81.07059	69.2
83.04967	12.3
83.08617	19.6
85.02910	21.7
86.09689	2.3
91.05481	48.4
93.07042	50.9
95.04968	29.9
95.08608	46.6
97.02894	6.9
97.06528	6.8
97.10162	7.5
98.21400	2.7
105.07031	28.7
107.04955	5.7
107.08594	27.8
109.06522	3.9
109.10147	19.6
111.04482	2.2
111.08085	9.0
117.07023	7.1
119.08588	24.6
121.10149	22.9
123.08038	2.4
123.11736	5.8
125.09603	3.8
129.07010	11.0
131.08560	19.5
133.06502	2.4
133.10135	19.2
135.11691	10.3
137.09558	2.2
145.10143	8.6
147.08119	3.0
147.11673	15.8
149.09641	6.6
149.13216	4.7
157.10121	14.3
159.11717	4.6
161.13243	4.1
165.12740	3.4
173.13173	3.6
175.11171	13.2
184.07312	5.0
193.12250	39.6
193.13849	2.9
211.13283	51.9
227.20059	4.2
261.22165	10.2
267.15842	15.3
285.16971	54.6
286.16962	2.0
335.25800	100.0
336.26404	2.6
435.32654	2.9
455.34512	2.2
483.35751	2.1
527.37329	11.4
545.38342	99.2
546.38770	4.3
743.42712	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01873	1.5
55.05515	12.6
55.98854	0.9
57.03437	10.9
57.07078	1.5
57.27025	0.9
59.78342	0.9
61.02930	1.5
65.03935	2.1
67.05507	39.7
69.03411	2.9
69.07073	10.8
69.92153	6.9
71.04988	4.0
79.05493	28.9
81.03418	39.3
81.06578	2.1
81.07057	39.4
82.07420	1.1
83.04980	9.0
83.08620	14.4
85.02905	15.8
85.06550	1.4
91.04997	0.7
91.05481	24.0
93.07045	29.2
95.04974	18.8
95.08603	27.7
96.84229	1.0
97.02906	3.4
97.06536	3.2
97.10176	2.9
98.21513	1.1
99.08091	1.3
99.21726	1.0
102.83254	1.1
105.07034	15.2
105.31216	1.1
107.04971	3.9
107.08606	17.2
109.06541	3.4
109.10149	9.3
111.04451	1.6
111.08068	7.2
115.05447	1.8
117.07008	5.1
119.08582	15.2
121.06549	1.4
121.10146	13.6
123.08055	2.3
123.11718	4.4
125.09641	2.3
127.07644	1.1
129.06992	5.9
131.08539	9.6
133.10135	9.8
135.11699	6.5
137.09596	1.7
142.07884	1.5
145.10161	3.4
147.08070	1.5
147.11668	11.1
149.09625	4.2
149.13243	3.1
157.10135	8.7
159.11711	2.9
161.13292	3.0
163.11241	1.2
163.14804	1.2
165.12845	1.7
173.13271	2.0
175.11197	8.2
175.14810	1.1
187.14954	1.9
193.12242	27.3
211.13284	36.8
227.12891	3.8
228.13065	1.3
261.21991	5.1
267.15854	7.4
285.16968	36.4
317.24948	2.9
335.25797	65.2
336.26132	4.3
337.26590	1.9
507.38556	1.1
527.37231	7.4
545.38367	100.0
546.38562	4.9
638.90289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
55.05513	16.9
57.03431	11.2
65.03929	2.9
67.05505	24.7
69.03420	5.9
69.07049	9.4
70.91015	2.8
70.91325	1.7
70.92607	1.6
71.04974	7.9
79.05489	23.6
81.03416	52.0
81.07057	29.1
83.04984	9.1
83.08627	15.8
84.72530	1.3
85.02905	4.8
91.05466	20.0
91.05929	1.6
93.07035	23.3
95.04960	24.8
95.08591	13.4
97.02890	5.3
97.06525	7.9
97.07060	1.3
97.10160	14.1
99.04440	1.7
103.05534	1.7
105.07024	17.1
107.04957	22.2
107.08584	15.2
109.02853	2.2
109.06516	18.9
109.10143	7.7
111.08056	7.7
113.06131	1.4
115.05467	1.6
117.07018	6.9
119.08585	12.4
121.06494	12.9
121.10141	12.0
123.04442	2.1
123.08084	5.6
123.11655	2.0
125.09633	12.4
127.03921	1.9
129.07022	7.8
131.04930	4.4
131.08556	16.6
133.06517	5.2
133.10123	9.6
135.08055	5.5
135.11693	3.6
137.05969	1.8
137.09636	2.2
142.07666	1.4
143.08575	2.7
145.06502	6.6
145.10081	8.1
147.04492	1.8
147.08049	5.3
147.11678	6.5
149.09627	7.7
149.13307	1.8
153.09067	3.4
157.10129	8.0
159.07983	2.5
159.11705	2.0
161.09618	2.1
163.11218	4.8
164.87428	1.5
165.12750	2.0
167.07048	1.5
169.10124	2.2
171.08070	2.0
171.11725	2.5
173.09569	2.2
175.11214	6.2
187.11157	2.2
189.09460	1.4
189.11224	7.6
189.12784	3.0
191.14299	3.7
193.12254	15.6
199.11215	2.4
201.12688	2.4
205.12144	2.5
209.11668	1.5
211.13280	2.7
213.12843	1.7
217.12314	1.6
219.13776	14.7
223.13203	1.9
227.12675	2.5
229.14282	1.7
231.13850	2.1
233.15445	4.2
249.14935	2.1
255.13840	1.9
259.15445	8.5
267.15897	37.8
273.14838	6.1
293.17459	8.1
339.23218	2.4
349.21524	4.6
357.23999	2.2
367.22662	16.5
385.23743	27.5
403.24854	10.9
433.26379	1.7
441.26270	11.8
451.26953	2.4
455.24075	1.6
459.27408	100.0
477.28445	95.0
477.35583	3.0
478.28662	2.4
491.29929	8.1
495.29523	6.5
501.28305	2.6
509.31119	2.4
580.33691	2.0
742.41583	1.7
763.54504	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27713	0.7
53.03924	1.0
55.01857	2.5
60.43709	0.7
65.70090	0.6
67.01851	1.8
67.05503	1.4
68.99431	1.2
68.99785	16.2
69.03425	1.9
70.84855	1.5
70.85211	0.8
77.03922	0.9
79.05470	2.1
81.03419	3.6
84.11260	0.6
85.02900	0.8
89.03924	3.7
91.05470	1.3
95.01324	0.9
95.04955	2.5
97.02920	1.0
101.99565	0.6
103.05498	1.1
105.03385	1.2
107.01311	0.8
107.04954	6.9
109.02876	2.5
111.00826	1.2
111.04440	20.7
117.03368	3.2
117.09554	0.6
119.04917	1.8
123.04423	48.4
124.04833	0.9
125.06059	1.1
127.03899	5.2
129.06967	0.7
131.04936	2.7
135.04411	61.9
136.04764	1.9
137.02336	56.1
137.03310	2.0
139.03889	22.1
143.04868	0.9
145.02850	3.9
145.06490	1.2
147.04399	7.9
149.06023	1.3
151.03889	6.0
153.01833	6.3
153.05458	9.9
155.03409	1.4
155.04869	1.8
155.62428	0.7
157.06432	0.7
159.04431	6.1
161.02345	1.4
161.05963	4.1
163.03900	82.1
164.04276	0.8
165.05492	1.6
167.03406	0.9
171.02887	6.2
171.04262	1.4
173.02260	0.8
173.05965	4.8
175.03900	6.1
177.05475	3.3
177.06923	0.9
179.03389	100.0
180.03743	1.2
181.06395	0.9
183.04413	2.2
185.05905	1.6
187.03893	12.1
189.01804	0.9
189.05528	3.8
191.03349	6.7
193.04874	1.0
197.06032	1.2
199.03940	1.5
201.05449	8.5
203.03416	9.1
203.07027	0.9
205.04941	5.1
207.02893	2.6
207.06580	0.9
211.03923	2.3
213.05470	2.6
215.03362	4.9
217.04942	1.7
219.02800	0.8
221.06050	1.1
225.05487	2.2
227.03397	1.6
227.06981	1.3
229.04910	9.8
231.02800	1.3
233.04440	0.9
237.05545	1.0
239.07112	1.0
241.05035	3.8
243.02869	1.8
243.08296	0.8
245.04524	3.2
247.05969	35.0
249.05650	0.9
253.05011	3.3
255.06523	2.3
257.04462	3.1
259.05972	4.6
261.09222	1.1
267.06555	1.9
269.04468	4.8
271.02823	1.1
271.05795	6.3
273.03937	1.8
275.07089	1.5
277.05157	0.9
279.06549	1.4
281.04443	1.5
283.05957	8.6
285.03906	3.4
287.05536	2.6
289.07037	78.0
290.07431	2.4
293.08151	2.4
295.05991	2.2
297.03909	4.9
297.07587	4.4
299.05630	1.2
301.07001	6.7
303.05997	1.3
305.04620	1.5
309.03821	2.2
311.05621	3.2
313.07019	4.8
315.05005	5.5
315.08643	2.0
317.08139	2.3
321.04013	0.9
321.07449	2.7
323.05417	6.8
327.04962	3.6
329.06546	2.2
333.06195	2.0
335.09015	2.1
339.05014	9.2
341.06531	12.1
345.07565	2.4
349.07050	2.4
351.04947	1.4
353.06528	1.5
363.04681	1.0
363.08551	4.5
373.06992	1.7
377.06570	1.6
391.08136	11.2
395.07742	0.9
407.07355	1.6
409.09143	14.5
411.10562	2.0
415.08267	1.5
419.07623	3.5
431.07690	0.9
433.09158	21.2
434.09753	1.2
437.08673	10.6
449.08572	6.5
451.10226	24.3
452.10266	1.0
461.08578	6.1
473.08475	1.1
529.11359	1.2
571.12341	19.3
589.13141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25418	0.7
53.03937	1.5
55.01860	3.2
59.06575	0.7
65.03938	1.1
67.01871	0.8
68.99432	1.2
68.99792	16.7
69.03426	1.8
70.05810	4.0
70.06561	1.0
71.04988	1.0
77.03914	1.1
79.05487	2.7
81.03405	2.6
81.24423	0.9
85.02899	1.2
89.03902	4.3
91.05482	2.6
93.03420	0.8
95.01325	1.0
95.04946	3.5
97.02895	1.0
103.05424	1.0
104.32942	0.7
105.03405	1.8
107.04969	8.3
109.02873	2.7
111.00808	2.0
111.04446	18.2
115.05489	1.2
117.03378	3.1
119.04942	1.9
123.04429	61.0
127.03931	11.0
131.04907	2.9
135.04420	55.5
137.02344	51.6
137.05960	1.1
139.03906	17.0
141.06995	1.2
143.04881	1.0
145.02802	4.5
147.04407	8.8
149.06000	1.7
151.03909	5.4
153.01814	6.8
153.05452	10.0
155.03387	2.0
155.04947	1.5
157.06430	1.0
159.04378	5.0
161.02310	1.5
161.05988	5.3
163.03912	82.0
164.04478	1.0
165.05489	2.3
169.06438	1.0
171.02914	8.0
171.04301	1.7
173.02528	0.9
173.05991	4.4
175.03926	3.9
177.05466	4.0
179.03403	100.0
183.04405	1.5
185.05977	2.2
187.03870	10.4
189.01863	1.1
189.05458	3.5
191.03407	7.3
193.04921	1.5
193.06537	0.8
197.06020	1.8
199.03929	1.2
201.05383	6.9
203.03409	6.0
205.04901	4.1
207.02910	1.8
209.05896	1.0
211.03978	2.1
211.07526	0.8
213.05496	3.0
215.03348	3.9
217.05022	1.3
219.02919	1.5
221.06033	1.1
225.05452	1.3
227.03467	1.3
227.07100	1.5
229.04941	9.9
231.06511	1.8
237.05461	1.2
239.03418	1.0
239.06804	1.1
241.04980	4.5
243.02956	2.7
243.06390	1.4
245.04372	2.5
247.06000	42.0
248.06284	1.3
249.05559	1.1
253.04967	2.8
255.02881	1.0
255.06602	3.2
257.04559	2.7
259.06021	3.6
261.03958	0.8
265.05005	2.3
267.06519	1.9
269.04465	4.2
271.05750	5.1
271.14337	1.7
273.03946	1.1
273.07455	1.0
277.05078	1.0
279.06674	1.0
281.04465	2.0
283.02783	1.5
283.05884	8.4
285.03860	2.7
285.07544	1.1
287.05478	14.9
289.07059	73.4
295.06006	3.3
297.03931	4.0
297.07550	2.8
299.05704	2.7
301.07007	7.2
309.03931	3.5
309.07364	0.8
311.05542	2.0
313.03638	1.4
313.07162	2.3
315.05078	4.1
315.08426	1.2
317.08167	1.8
321.04099	1.4
321.07568	2.6
323.05432	6.2
325.03476	1.2
325.06995	1.3
327.04782	4.5
329.06564	1.9
331.05774	1.2
333.06070	2.2
333.09860	1.3
335.05441	1.1
335.09323	2.1
336.55048	0.8
339.04886	6.7
341.06546	8.3
343.08221	0.9
345.07483	1.8
349.07031	1.9
351.04889	2.8
353.06519	0.9
363.08560	4.5
365.06073	1.1
367.08368	1.5
373.06995	1.7
377.06534	2.9
391.08188	8.5
407.07611	2.8
409.09177	17.1
409.14352	1.6
411.10776	1.5
419.07626	2.4
421.09314	0.9
433.09219	18.7
435.11163	1.2
437.08661	9.5
449.08649	7.6
451.10263	22.8
461.08817	5.9
473.08365	1.5
529.11340	2.3
571.03381	1.0
571.12390	20.5
583.12915	1.0
589.13312	3.1
705.16742	0.8
717.91327	1.0
745.06464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01873	1.7
65.03923	1.1
67.05502	1.5
68.99448	1.1
68.99792	14.6
69.03412	1.2
69.25254	0.8
71.58564	1.7
75.04481	1.2
77.03928	1.3
79.05490	1.8
81.03416	3.5
85.02913	1.8
89.03907	3.9
91.05474	1.4
95.01339	1.5
95.04960	3.2
103.03919	1.0
103.05460	1.9
105.03341	1.2
107.01318	1.0
107.04957	7.8
109.02869	3.3
111.00753	0.9
111.04441	21.3
117.03406	3.2
119.04911	1.5
121.02874	1.7
123.04427	47.5
125.05956	1.5
127.03891	5.0
131.04927	3.0
135.04422	56.6
137.02345	57.3
139.03893	19.6
143.04898	1.2
145.02885	2.8
147.04425	9.0
149.05974	2.1
151.03905	4.1
153.01816	7.0
153.05481	8.8
155.03384	1.4
155.04848	1.3
159.04466	4.5
161.05984	5.6
163.03906	83.5
164.04350	1.5
165.05479	3.4
165.06813	1.3
166.52309	0.9
169.06363	0.9
171.02927	7.5
171.04309	1.6
173.06012	5.6
175.03922	5.7
177.05455	3.0
179.03400	100.0
180.03734	1.0
183.04402	1.2
185.05974	2.0
187.03888	9.3
189.05351	2.7
191.03362	7.2
193.05063	1.7
197.05992	1.8
201.05484	8.3
203.03389	10.9
205.04935	5.3
207.02896	3.1
211.04002	1.8
213.05478	2.5
215.03387	3.3
217.04979	2.5
221.04321	1.5
225.05479	1.7
229.04941	9.4
231.06433	1.1
241.04953	1.9
243.03003	2.1
243.06303	1.1
245.04408	2.1
247.05997	33.6
247.08437	1.7
253.04958	2.2
255.06512	1.5
257.04489	3.5
259.05957	2.6
260.98077	0.9
265.05002	1.0
267.06375	1.5
269.04437	3.3
271.05765	6.0
281.04333	2.2
283.02649	1.3
283.05923	9.4
284.06519	1.0
285.03918	2.6
287.05573	3.4
289.07040	79.0
290.07413	2.3
293.08041	2.1
295.05914	4.2
297.03879	5.0
297.07581	4.4
299.05530	1.4
301.07071	6.8
303.06226	1.2
305.04468	1.5
307.06058	1.3
309.03824	2.5
309.07486	0.9
311.05328	4.4
313.03574	2.0
313.07016	16.4
315.04907	4.1
315.08368	1.8
317.07956	2.5
321.07605	2.6
323.05505	5.4
324.98828	0.9
327.05069	3.0
329.06406	2.0
331.05737	1.2
333.06195	2.1
335.09286	1.6
337.06564	0.9
338.30042	1.0
339.05038	6.8
341.06531	13.1
345.07721	1.6
349.07001	2.0
351.04852	2.0
363.08670	4.9
373.06696	1.3
377.06580	2.7
391.08136	9.6
401.06476	1.1
407.07782	1.6
409.09155	14.3
410.09689	1.6
415.09338	1.8
419.07626	4.0
433.09064	19.2
434.09583	1.4
437.08746	6.7
449.08795	5.0
451.10260	25.6
452.10806	1.4
461.08698	4.3
473.08478	1.2
529.11157	1.4
571.12311	16.5
583.12360	1.3
595.15912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	2.2
55.01829	1.8
55.05511	12.8
55.05755	0.7
57.03439	8.6
57.07029	1.8
59.08178	0.4
61.02893	0.6
65.03897	2.1
67.05504	43.3
67.05838	1.4
69.03381	1.8
69.07068	11.7
69.33712	4.5
71.04987	2.4
73.02876	1.4
79.05492	37.1
80.05788	0.7
81.03376	2.1
81.07056	43.9
82.07344	0.6
82.15566	0.5
83.04981	2.5
83.08620	8.9
85.02840	1.4
85.06493	1.4
91.05476	17.1
92.05784	0.5
93.07043	50.9
95.04978	6.9
95.08606	51.4
95.93270	0.6
96.08910	0.8
97.02882	3.2
97.06541	3.8
97.10117	1.4
99.04455	3.0
99.08052	0.6
103.05429	1.0
105.04453	0.9
105.07031	12.8
107.04963	7.4
107.08593	32.1
109.06465	2.2
109.09485	0.8
109.10156	12.7
111.04388	1.1
111.08020	1.5
113.09615	0.7
113.52972	0.6
117.07014	9.3
119.08576	13.5
121.06489	3.7
121.10147	18.1
123.08019	0.6
123.11707	3.5
125.05994	2.4
125.09560	0.8
129.06992	0.6
130.07777	1.2
131.08575	4.9
133.10133	6.0
135.07971	2.2
135.11687	44.1
136.11993	0.8
137.13208	0.7
139.07495	2.2
139.11073	0.7
143.08533	1.4
145.10118	24.5
147.11621	2.3
149.13278	3.3
153.12659	0.6
159.11665	2.2
160.44691	0.5
161.13194	1.7
163.11179	45.8
163.14781	1.2
164.11459	0.7
173.09502	0.6
173.13229	1.6
175.14763	0.7
181.10753	0.8
181.12228	8.5
191.14354	0.5
209.11667	0.8
227.12778	58.5
228.13210	1.0
233.22672	0.6
243.21085	2.5
261.22073	7.7
283.15390	46.6
284.15723	1.2
317.24780	2.1
335.25790	100.0
336.26047	2.9
543.36816	69.2
544.37244	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	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.0
55.01850	2.4
55.05512	15.2
57.03439	10.4
57.07054	1.7
57.94902	0.6
61.02907	1.4
65.03922	1.8
67.05504	46.8
69.03413	2.0
69.07068	13.0
69.33246	8.0
70.16499	0.9
71.04961	3.2
73.02888	1.8
73.12988	0.8
79.05492	43.7
81.03391	3.1
81.07056	46.1
83.04998	3.7
83.08620	10.9
85.02891	0.9
85.06523	1.3
91.05472	18.6
93.07043	58.4
95.04967	9.8
95.08604	58.9
97.02887	6.2
97.06548	4.5
97.10141	2.1
99.04439	3.5
105.06391	1.1
105.07032	13.2
107.04308	0.8
107.04956	10.3
107.08592	37.1
108.08910	1.1
109.06499	2.2
109.09460	0.9
109.10156	11.4
111.04431	1.8
113.06027	0.8
113.09665	1.3
117.06336	1.0
117.07013	10.7
119.07798	1.2
119.08579	15.2
121.06493	5.9
121.10137	23.2
123.08065	0.9
123.11686	2.7
125.05957	2.9
129.07005	1.3
130.07764	2.1
131.08583	5.5
133.10136	6.4
135.08043	1.8
135.11688	52.2
136.11998	0.8
137.13272	1.5
139.07518	2.1
143.08591	1.0
145.10123	29.3
147.11671	2.4
149.13229	2.9
153.12686	1.1
159.11653	2.1
161.13306	1.8
163.11174	65.0
163.14809	1.9
164.11523	1.3
173.09631	1.0
173.13252	1.8
175.14818	0.9
181.12230	11.2
208.29176	0.9
209.11726	2.4
227.12778	91.6
228.13248	1.5
243.21094	2.8
261.22189	9.6
283.15387	100.0
284.15768	2.9
317.24799	3.0
335.25790	97.9
336.26132	3.3
339.44846	0.8
403.27524	0.8
543.36810	84.6
544.37073	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	740.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91166	0.5
53.03953	1.3
55.01859	2.2
55.05271	0.6
55.05513	6.6
57.03441	4.9
57.07058	0.9
59.04990	0.8
61.02892	0.8
65.03928	1.1
67.05507	22.5
69.03414	1.8
69.07066	4.1
71.04993	10.0
71.58805	0.8
76.39734	0.5
79.05497	11.5
81.03421	19.7
81.07059	33.2
83.04990	3.0
83.08620	6.8
85.02901	1.7
85.06540	3.5
88.12803	0.5
91.05486	14.7
92.05824	0.5
93.07044	10.2
95.04977	12.2
95.08614	6.5
97.02908	0.8
97.06550	2.1
97.10174	4.3
105.07030	8.4
107.04957	7.9
107.08600	7.6
109.02885	0.8
109.06509	6.6
109.10166	4.6
111.08101	2.7
115.05422	0.6
117.07016	4.3
119.04895	0.7
119.08588	5.1
121.02966	0.5
121.06515	5.5
121.10126	3.9
123.04458	0.8
123.08063	2.2
123.11713	4.6
125.09658	3.0
125.74940	0.5
129.07031	3.8
131.04944	0.7
131.08569	7.9
132.26646	0.5
133.06523	1.9
133.10132	7.9
135.08063	2.6
135.11697	2.2
137.09631	0.8
143.08560	2.3
145.06494	2.2
145.10107	3.2
147.04407	0.9
147.08092	2.6
147.11707	2.4
147.12842	0.5
149.09605	1.7
149.13292	1.8
151.11177	2.5
151.12210	0.5
155.08586	0.8
155.55290	0.5
157.10110	3.7
159.08145	0.8
159.11676	2.4
161.09636	1.6
163.11154	2.3
165.12814	1.0
171.08083	0.5
171.11665	1.5
173.09605	1.1
173.11856	0.7
173.13208	2.5
175.11212	2.2
177.12787	1.5
181.10089	0.6
183.13904	0.8
185.13322	1.4
187.11189	0.7
187.13332	1.4
189.09164	0.7
189.11192	1.5
189.12791	0.7
191.14308	1.6
193.12234	4.2
195.11760	0.7
201.12857	1.1
203.14368	0.7
205.12123	0.9
213.12750	0.8
217.15970	1.0
219.13756	3.3
219.84444	0.6
223.13187	1.1
227.12668	0.9
229.14265	0.6
231.13832	0.9
233.15363	0.8
239.14215	0.6
249.14848	1.4
257.17526	1.4
267.15897	8.5
269.17596	1.3
273.18567	1.1
275.16553	1.3
299.18829	0.8
301.20114	4.1
319.15265	0.7
325.21704	1.6
343.22708	4.6
351.23108	1.3
361.23633	1.2
369.24319	2.8
387.25220	1.1
407.26062	1.1
417.26160	4.9
423.61099	0.6
425.26904	1.8
435.27426	17.4
443.27979	11.5
461.28989	100.0
462.29315	3.2
475.30499	1.0
493.31610	6.0
578.33698	0.7
587.32324	0.6
619.35443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	4.8
56.96563	67.3
68.92907	1.9
69.69559	14.4
74.97604	4.0
84.40159	2.2
84.96036	55.3
85.02866	2.7
97.02883	3.3
98.97586	92.1
102.97067	11.2
104.03574	2.1
109.02878	3.0
110.97541	19.7
115.22134	2.2
116.98618	72.1
116.99447	4.2
117.03378	3.9
119.01923	7.4
119.04952	7.1
124.99172	2.1
128.98602	43.3
131.01976	2.4
134.99644	39.0
135.04398	3.2
140.00194	4.4
140.98601	8.9
143.00157	21.8
143.01961	3.9
145.01778	3.7
145.02769	3.9
145.49577	2.2
146.99651	47.9
147.04384	30.5
149.01178	3.5
152.98535	2.2
153.00716	2.9
155.01846	3.7
158.99667	37.6
159.00891	4.1
161.01236	41.8
161.02943	9.6
162.99182	4.3
163.03883	20.0
165.00763	7.8
169.01746	2.3
170.99661	32.3
173.03006	3.5
174.99176	5.7
177.00711	50.3
177.05428	13.7
179.02269	6.7
181.01910	2.6
182.99684	11.9
185.01196	7.2
185.02991	6.6
186.99136	4.2
189.00708	58.9
189.02370	4.8
191.02217	2.6
191.03923	3.1
193.00119	4.4
195.01727	5.4
195.03397	3.7
197.02928	3.9
201.00702	75.6
202.01294	2.7
203.00397	3.0
203.02283	5.0
203.04070	3.2
207.01791	9.4
209.01199	5.5
211.02756	2.5
213.00816	5.2
213.04385	17.7
215.04059	2.9
219.01764	85.7
221.01335	3.9
221.02980	16.8
224.02455	2.6
227.02228	4.1
231.01801	6.6
231.05307	3.0
237.02818	37.5
239.02246	79.5
242.03542	3.2
243.01773	22.0
245.01044	5.1
245.03090	5.6
245.05170	15.1
248.99287	5.3
253.03810	8.2
255.04028	2.9
257.03317	91.8
257.05902	4.5
258.03632	2.3
261.02823	100.0
262.03870	3.7
263.02213	10.5
263.04175	7.0
267.00272	12.9
273.02853	8.3
277.03879	3.7
279.00916	3.0
279.03900	54.2
280.04858	3.5
281.03110	33.0
284.04391	2.7
285.01187	6.3
289.03845	6.3
291.00180	6.7
291.03836	17.2
295.04898	2.7
299.04196	11.8
302.05386	6.0
303.01553	2.4
307.04889	7.3
309.01364	8.4
311.04224	4.5
321.01645	3.9
321.04980	41.7
323.04456	9.8
333.04941	6.5
335.04172	3.7
349.02484	4.4
351.02161	4.0
351.05960	12.1
353.05072	3.4
365.05133	11.9
367.03348	7.6
377.01596	5.6
381.06860	10.2
383.06482	21.8
385.95401	2.7
393.03497	13.4
395.02673	20.2
399.08023	12.0
407.06384	2.8
411.04532	25.1
413.03864	37.6
425.07605	3.6
437.04031	10.7
453.06552	2.4
455.06284	22.3
467.05334	7.7
497.06320	5.0
539.07477	23.2
545.11780	67.4
546.11719	2.9
557.08264	36.6
573.09717	47.2
627.12183	4.9
719.13623	27.3
733.75787	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	735.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01864	1.2
55.05505	1.6
57.03428	1.8
57.23993	0.9
59.02474	3.2
59.05001	2.6
61.02940	1.0
65.03928	1.1
66.05449	0.9
69.03426	11.4
71.59750	1.6
72.08159	23.5
73.02931	1.4
79.05495	16.5
81.03403	7.9
81.07038	2.0
85.02903	13.5
87.00825	4.4
87.04454	1.6
87.58302	1.0
91.05478	3.4
91.07339	1.0
95.04959	6.1
95.08616	1.6
96.04491	1.2
97.02891	32.5
99.04458	1.8
103.05464	2.0
105.01858	1.7
105.04503	1.6
105.07021	18.3
107.04944	8.8
107.08590	2.9
109.02876	11.9
109.06521	8.6
115.03899	2.3
117.06998	1.2
119.04934	1.0
119.08597	1.2
123.04427	3.8
123.08071	16.0
125.05973	5.3
127.03919	13.1
129.05470	1.1
131.04913	1.6
131.08609	1.9
132.04474	1.3
133.06496	77.0
133.07533	4.1
133.64870	0.9
134.06848	1.1
135.04417	100.0
137.05984	2.6
145.04977	5.5
145.06386	1.2
145.10326	1.4
147.04440	2.6
149.05945	1.2
152.07112	2.6
159.02969	1.1
159.11682	1.2
161.02376	1.3
161.05959	1.5
163.03955	1.6
165.05548	1.2
165.08960	2.1
165.10246	20.2
167.03468	1.9
167.06895	2.5
167.08176	31.2
175.03925	3.1
177.05347	2.0
191.10667	1.3
195.02856	2.6
201.05515	1.7
203.07036	6.2
207.06593	3.3
209.09183	1.2
213.03923	26.8
223.14368	6.0
229.08748	1.2
231.04953	17.0
239.78490	1.3
278.09045	1.2
299.13925	9.5
337.10751	5.8
365.08676	3.0
383.09665	3.0
397.11810	1.4
401.10864	12.2
414.13953	1.2
415.13403	6.1
453.18600	4.0
471.19748	7.4
547.19031	5.3
585.22736	3.5
620.56537	1.1
748.22388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87410	1.2
55.83316	1.1
56.28610	1.3
57.03431	2.4
57.07032	1.5
61.02911	6.3
67.05497	7.4
69.03429	5.1
71.30381	2.7
73.02912	4.5
79.05501	6.8
81.03413	1.6
81.07062	5.8
83.08616	2.2
85.02909	5.0
91.03945	2.4
91.05451	2.9
93.07047	5.2
95.08601	4.0
97.02887	5.5
101.02380	2.6
105.07001	2.2
107.08595	2.1
121.10193	1.4
127.03864	1.5
129.02943	1.3
135.11703	1.4
154.82555	1.3
158.32559	1.4
212.26659	1.2
218.73076	1.2
235.12933	1.3
370.88641	1.2
453.21170	3.7
472.68787	1.5
519.29187	7.6
731.43365	100.0
732.43744	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	734.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
51.19839	0.4
52.20084	0.5
53.03942	0.6
55.01860	0.9
55.05500	0.8
57.03438	2.4
59.04982	0.5
61.02927	0.8
61.42242	0.5
67.05505	0.8
68.99784	0.7
69.03431	12.1
69.03811	0.7
69.07063	0.6
70.31923	1.0
70.32294	1.7
73.02922	0.8
78.03453	1.9
81.03420	4.0
81.07043	1.0
83.04980	1.5
85.02910	11.9
87.00818	1.9
87.04462	4.1
91.05477	0.9
93.07047	0.8
95.04961	1.2
95.08620	0.5
96.04493	100.0
97.02901	8.0
97.04790	1.3
98.21478	0.6
99.04468	1.7
105.01881	3.2
105.02480	0.5
105.07033	0.8
107.04984	1.1
108.10052	0.6
109.02887	5.1
109.06531	0.6
111.04451	1.5
112.03967	5.1
115.03909	4.1
117.91348	0.5
119.04983	1.0
121.06455	0.7
123.04485	0.7
125.02363	1.7
125.06030	0.5
127.03916	6.9
129.01891	0.6
129.05496	1.7
133.04970	2.5
133.06488	0.5
135.08078	1.1
136.07590	1.6
137.06003	0.7
145.04965	2.1
149.05978	0.8
152.07076	3.3
159.02907	1.9
165.99847	0.5
167.07013	0.5
177.05492	0.6
187.36972	0.5
201.05513	0.6
202.63660	0.5
213.03975	0.8
215.05428	0.8
217.04988	1.5
231.05031	1.7
237.88083	0.5
259.09656	2.6
273.06216	0.6
354.13379	17.5
602.18604	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	731.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
57.03429	1.7
67.05506	3.0
69.03436	2.5
69.07052	2.0
69.50951	1.1
71.58924	1.5
79.05477	2.5
81.03406	2.7
81.07055	3.5
85.02911	2.5
91.05489	3.1
91.67380	1.2
93.07047	1.3
95.05032	1.4
95.08599	2.5
97.02892	2.5
99.04482	1.1
105.07058	1.4
107.08599	1.9
109.10153	1.9
119.08566	1.8
127.03863	1.3
133.10152	1.2
137.06091	1.5
149.13321	1.2
177.05507	1.1
177.09222	1.3
187.07562	2.6
189.09070	1.2
191.07191	1.2
203.05273	2.0
259.07974	1.5
271.13828	1.5
291.78201	1.2
308.10440	1.1
319.09601	1.2
365.10541	1.6
401.29260	1.2
407.23935	1.6
457.20462	2.8
471.22125	3.6
569.29297	9.6
641.31989	1.7
731.34662	100.0
732.34772	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	729.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
53.94315	0.9
57.03423	1.9
61.02929	4.6
67.05506	6.3
69.03423	3.9
69.07053	1.1
71.04989	7.0
71.59389	1.2
73.02909	3.1
74.63338	1.0
79.05487	3.6
83.04921	1.1
85.02902	4.3
91.03963	2.1
91.05485	3.8
93.07041	4.2
95.08599	1.6
97.02904	5.3
99.04441	1.6
101.02362	1.3
105.07040	2.3
107.08591	2.9
117.06980	1.5
123.11681	1.2
127.03938	1.6
131.08588	1.4
133.10103	5.1
147.04439	2.0
151.11211	1.7
159.11703	1.5
163.21057	0.9
179.00655	0.9
188.65530	1.1
243.08426	1.2
257.17398	1.0
267.15674	2.4
471.21793	1.1
485.23532	17.0
689.97095	1.2
729.40283	100.0
730.40845	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	731.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
67.05502	2.4
69.03445	1.2
71.04976	0.9
71.59177	1.3
73.02927	0.9
78.63640	0.7
79.05499	1.7
81.03429	2.7
81.07058	2.8
83.37318	0.8
85.02901	1.6
91.05470	2.1
93.07045	1.6
93.93031	0.7
95.04971	1.4
95.08610	1.1
96.50308	0.8
97.02892	1.9
105.07037	2.5
107.08630	1.2
109.10172	1.7
119.04930	0.8
119.08571	1.1
121.06509	0.9
121.10178	1.1
125.87482	0.7
131.08551	1.2
137.06000	1.4
140.90411	0.7
147.11699	0.8
159.08018	0.9
161.05986	1.0
163.03946	0.8
203.05302	1.1
252.77257	0.8
259.07959	2.0
277.08957	1.6
318.04016	0.8
333.20425	0.9
347.09662	1.2
353.91406	0.9
365.10608	3.6
407.24060	1.8
421.12958	1.5
423.35513	0.8
457.20398	2.6
471.22034	4.8
487.21649	1.1
569.29376	13.5
570.29297	0.9
619.25830	1.2
633.27655	1.7
641.31281	1.9
731.34613	100.0
732.34784	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	729.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.9
59.06338	1.5
61.02902	2.7
67.05506	7.6
69.03432	2.3
69.07065	4.6
71.05006	2.2
71.59257	1.7
73.02911	2.0
79.05490	3.4
81.07060	12.1
83.08620	2.4
85.02908	4.6
91.03948	3.4
91.05473	4.2
93.07038	7.3
95.04958	2.4
95.08595	5.1
97.02930	3.6
97.10133	2.5
105.07041	3.6
107.08600	3.8
109.02916	2.2
109.06492	2.0
109.10136	2.6
119.08604	3.4
121.10130	2.1
127.03960	2.3
129.06975	1.7
131.08597	2.1
135.11708	2.4
137.05965	3.1
147.04396	2.5
149.13179	2.2
159.11681	2.8
161.13295	2.0
177.12801	1.9
179.14435	2.0
195.72585	1.7
203.05206	2.7
228.77823	1.6
229.14253	1.7
259.07883	2.2
269.17487	7.2
270.17938	3.3
331.10004	2.1
351.25250	2.4
352.25565	4.6
365.10648	2.7
379.07870	1.6
405.22467	2.7
469.20303	2.2
493.15057	1.9
530.37079	2.1
567.27905	12.5
685.90948	1.8
729.33063	100.0
730.32410	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	728.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01858	2.5
55.05260	1.4
55.05510	13.3
57.03439	12.8
57.07069	1.9
59.09949	0.7
61.02927	8.0
65.03929	0.9
67.05503	38.2
69.03431	7.6
69.07067	10.6
69.78835	4.1
71.01364	1.0
71.04986	4.7
71.08633	10.1
73.02903	3.6
79.05061	1.5
79.05495	23.1
81.03416	12.5
81.07056	45.3
83.04979	7.4
83.08614	9.9
85.02911	12.6
85.06532	3.6
87.04462	0.8
91.03960	6.0
91.04449	1.1
91.05481	16.4
93.05508	1.7
93.07038	32.6
93.07628	1.8
95.04963	6.8
95.08604	17.6
97.02882	7.6
97.06535	6.4
97.10146	6.1
98.20775	1.0
99.04466	2.3
99.08092	10.1
103.03957	1.8
105.07027	10.8
107.04929	2.2
107.08591	18.6
109.02863	3.8
109.06509	3.1
109.10146	10.6
111.04441	1.2
111.08099	4.6
113.09604	0.9
115.05470	0.9
117.07009	8.0
119.08575	9.5
121.06491	3.2
121.10149	10.3
122.43483	0.8
123.04430	0.8
123.08054	1.9
123.11673	2.9
125.09634	2.7
127.03897	7.1
128.06216	1.0
128.30525	0.7
129.05461	2.2
129.07001	3.2
131.08559	8.0
133.06461	1.0
133.10123	10.2
135.08035	2.2
135.11693	6.7
137.05972	1.6
137.09628	2.2
139.07535	1.0
141.12781	0.9
143.08531	1.3
145.04927	3.8
145.10094	3.1
147.04395	0.9
147.11674	3.5
149.09596	2.3
149.13258	13.3
151.11169	11.1
156.03586	0.9
159.11691	15.5
161.13260	6.8
163.06042	3.1
163.11166	3.9
165.12753	1.6
167.07031	0.9
167.14371	1.0
171.11737	1.8
173.04538	1.5
173.11848	4.2
173.13155	1.3
175.11241	1.2
175.14806	2.0
177.12747	23.2
179.14307	10.0
185.13156	1.2
188.98996	0.9
189.11244	2.0
193.12157	1.2
195.13817	7.4
199.14793	1.1
213.14778	1.2
217.19574	1.1
219.13849	1.3
227.12790	3.7
229.14340	5.8
231.21109	1.1
241.19563	2.0
243.08414	1.0
244.09581	1.6
245.13843	2.0
249.22121	1.2
251.16386	3.9
253.17958	1.2
255.15904	1.4
259.20544	4.0
267.15869	1.0
269.17471	100.0
270.17764	2.3
277.21600	13.1
295.22659	2.6
325.12091	2.3
333.24185	1.0
339.17664	0.8
351.25275	41.9
352.25742	1.8
369.26541	5.2
373.18307	1.6
385.23566	1.6
389.17859	1.3
393.26749	0.9
395.20676	1.1
403.24667	1.5
413.21585	4.7
421.25916	4.0
431.22778	1.6
439.26968	2.6
469.20441	1.4
513.30487	2.4
687.31793	1.0
729.36694	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	728.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01862	4.5
55.05508	21.6
57.03439	15.1
57.07069	4.1
59.93982	1.7
61.02922	11.4
65.03938	1.9
66.83979	1.6
67.05502	57.0
69.03415	8.5
69.07072	19.8
71.04987	7.9
71.08627	20.4
73.02910	6.4
79.05494	33.3
81.03420	14.4
81.07055	57.1
83.04993	11.0
83.08613	15.1
83.52271	1.8
85.02901	17.5
85.06538	2.6
91.03960	11.6
91.05482	24.7
93.07041	46.5
94.07325	1.8
94.08681	1.7
95.04972	9.9
95.08607	28.9
97.02887	10.8
97.06520	8.8
97.10181	10.3
99.08099	17.4
105.07008	15.3
107.04941	3.0
107.08589	25.5
109.02866	4.2
109.06508	4.2
109.10143	13.4
111.08090	5.9
113.09690	1.9
117.07035	8.8
119.08566	11.6
121.06538	4.2
121.10136	12.2
123.08053	2.7
123.11701	3.9
125.09637	12.2
127.03901	9.5
129.05417	2.0
129.07042	3.9
131.08551	11.5
133.10124	15.5
135.11671	13.0
139.11220	2.4
143.08572	2.6
145.05000	3.8
145.10123	4.3
147.11665	6.2
149.09586	2.3
149.13268	19.4
151.11180	16.2
157.10162	3.6
159.11720	14.9
161.13187	10.8
161.86630	1.9
163.06068	3.6
163.11172	6.8
165.12723	2.9
171.11742	2.0
173.11755	8.4
173.13138	2.5
177.12743	21.1
179.06992	1.8
179.14319	12.0
189.11201	8.9
195.13785	6.4
216.91953	1.7
219.22177	1.7
227.12747	9.0
229.14458	9.7
241.19522	2.9
245.13882	5.4
251.16501	2.1
259.20602	5.7
267.15894	2.8
269.17480	100.0
277.21594	22.9
295.22601	3.7
351.25287	97.9
352.25592	3.6
369.26212	8.5
413.21509	4.0
428.57285	2.3
469.20264	2.1
501.23071	2.6
502.23285	2.1
728.35315	25.2
729.36633	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	726.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20466	1.3
53.03939	4.1
55.05301	1.3
55.05508	15.3
57.03442	12.7
57.07070	4.5
61.02925	2.8
65.03915	2.5
67.05505	64.6
69.07069	19.1
69.37234	11.9
71.04985	4.0
77.45374	1.3
79.05494	43.7
81.03438	1.4
81.07057	75.8
83.04971	5.3
83.08632	9.8
85.02900	3.6
85.06514	4.4
91.05482	22.4
93.07045	68.1
95.04945	7.4
95.08601	39.3
97.02922	1.7
97.06536	8.5
97.10178	2.1
99.08138	1.8
105.07043	13.9
107.08598	30.4
109.06527	3.2
109.10162	12.9
111.08074	5.3
113.09643	1.3
117.07014	7.4
119.08578	9.7
121.10139	22.1
123.11700	5.4
131.08536	10.8
133.10146	8.2
135.11694	10.9
145.10153	5.3
147.11665	4.3
148.20634	1.4
149.13269	20.0
157.03339	1.3
159.11694	13.0
161.13298	2.9
173.13226	4.8
175.14894	1.7
175.75581	1.3
177.12755	3.4
187.14804	1.5
195.13773	7.1
243.21039	3.3
261.22168	9.8
267.15930	1.5
269.17480	46.9
317.24838	2.3
332.95013	1.3
335.25793	57.5
336.26178	3.0
353.78986	1.4
433.84601	1.5
472.18076	1.6
504.10800	1.3
529.38898	100.0
530.39008	5.5
547.38702	1.4
586.97485	1.6
616.56683	1.5
748.00250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62948	1.3
53.03939	4.1
55.01865	9.5
55.05511	18.6
57.03433	17.8
57.07071	1.6
61.02930	11.2
65.03925	2.5
67.05505	56.8
67.56329	1.3
68.67792	1.5
69.03432	11.3
69.07067	25.6
69.95844	6.0
71.04992	7.0
73.02916	4.4
78.93884	1.4
79.05061	2.8
79.05493	41.4
81.03417	21.0
81.06579	3.4
81.07058	68.0
81.17792	1.5
82.07429	1.5
83.04981	14.0
83.08626	15.6
85.02913	18.1
85.06537	6.4
87.04491	1.8
91.03954	10.7
91.05480	40.6
91.30980	1.7
93.07045	50.0
94.01412	1.5
95.04966	14.1
95.08611	26.5
97.02886	10.7
97.06527	15.2
97.10169	7.0
99.04479	3.0
99.08113	3.5
100.64557	1.3
103.03954	2.1
105.07033	28.3
107.04953	10.7
107.08594	33.7
109.02877	4.5
109.06556	8.7
109.10172	13.6
111.04456	1.9
111.08106	5.6
117.07018	17.1
119.08579	21.6
119.09363	2.2
121.06494	5.6
121.10152	18.6
123.08059	4.8
123.11704	4.5
125.09657	5.1
127.03914	6.7
128.06265	1.9
129.05461	1.5
129.07008	3.3
131.04863	1.5
131.08571	18.7
133.06497	2.1
133.10130	22.5
135.08041	6.2
135.11684	19.0
137.05991	2.5
137.09665	4.1
139.11160	1.5
141.07050	1.9
143.08545	4.6
145.04947	4.1
145.10129	11.8
147.11688	11.2
149.09621	10.2
149.13271	15.7
153.12766	2.1
157.10138	5.6
159.08121	1.8
159.11685	23.0
161.09584	1.9
161.13242	5.2
163.05997	5.3
163.07422	1.5
163.11189	6.8
165.12862	2.1
167.07100	1.8
169.10158	3.7
171.11707	3.1
173.04439	2.8
173.13313	5.1
175.11153	3.4
177.12753	28.7
179.14296	6.3
181.12291	2.0
183.11646	1.9
189.11266	3.4
193.12312	4.5
195.13808	6.1
197.13223	2.7
213.14755	2.2
219.13791	3.9
227.12753	3.0
229.14307	5.1
239.17944	4.3
247.20689	2.6
251.16483	5.7
255.15924	40.8
257.19003	5.6
267.15958	6.0
269.17484	100.0
275.20078	21.7
283.15295	2.4
285.16812	3.4
293.21115	4.9
295.63037	1.4
349.23721	58.0
367.24835	24.6
413.21619	4.3
417.21558	1.9
461.28802	7.3
475.27075	1.8
493.27014	1.8
511.28723	8.9
726.44421	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90818	2.9
53.03949	4.4
55.01896	3.9
55.05523	16.4
57.03437	19.0
61.02920	11.7
65.03937	3.6
67.05502	71.0
67.05836	6.2
69.03452	6.1
69.07066	19.7
69.34971	32.4
71.04984	6.7
79.05495	43.2
79.45261	3.0
81.03420	32.0
81.07055	62.2
82.03751	5.5
83.04988	9.4
83.08636	17.6
85.02899	22.5
85.06538	7.0
88.20882	2.8
91.03946	8.4
91.05485	36.8
93.07038	45.3
95.04965	19.3
95.08606	26.4
97.02879	15.9
97.06519	20.1
97.10149	8.3
99.08105	6.2
104.99922	3.1
105.07023	33.6
107.04964	12.7
107.08614	35.1
109.06522	8.2
109.10160	17.6
117.07030	19.0
119.08554	17.6
121.06525	7.8
121.10143	21.8
123.11735	5.0
125.09628	7.2
127.03917	7.8
129.07005	6.7
131.08577	17.3
133.06497	5.3
133.10123	18.7
135.08057	7.3
135.11670	18.0
141.07031	3.3
145.10129	12.0
147.11699	11.6
149.09616	9.7
149.13237	15.8
156.79034	3.3
157.10173	8.8
159.11728	24.9
161.13260	5.2
163.11217	8.5
165.61366	2.9
173.11723	2.9
173.13205	6.6
175.11160	5.4
177.12730	22.5
187.29623	2.9
193.12309	7.2
195.13931	4.3
199.94646	3.1
211.13310	4.7
219.13730	5.7
227.12863	6.1
229.14383	8.3
243.15927	7.0
251.16473	6.6
255.15912	31.8
257.19101	6.2
262.83420	3.6
267.15948	13.5
268.16245	5.8
269.17471	100.0
275.20108	15.7
293.20956	5.4
349.23770	48.8
367.24704	24.7
413.21872	5.1
419.85251	3.6
430.27771	3.3
435.27249	5.4
461.28146	19.0
478.28613	3.6
479.29745	5.3
511.28979	10.5
652.76947	3.2
726.44006	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	726.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01335	0.6
55.01872	4.5
55.05511	6.6
57.03440	3.8
57.07060	1.7
61.02923	3.8
65.03928	0.7
67.05131	0.7
67.05502	18.8
69.03442	2.6
69.07063	4.9
70.19396	2.1
71.04971	2.4
71.08609	1.8
73.02903	1.8
79.05486	10.1
81.03412	3.4
81.07051	20.7
83.04975	4.8
83.08614	4.3
85.02907	4.4
85.06529	2.6
85.10166	0.9
91.03938	2.1
91.05470	14.0
93.07040	11.5
95.04967	6.5
95.08055	0.8
95.08605	10.5
97.02898	3.9
97.06532	2.4
97.10151	1.2
98.21037	1.0
98.35503	0.6
99.04428	1.3
99.08073	2.0
105.07024	12.8
107.04950	3.2
107.08588	10.7
109.02821	0.6
109.06512	3.7
109.10149	13.7
111.04434	1.0
111.08076	2.0
113.06007	0.9
117.07016	2.3
119.08556	5.5
121.06479	1.6
121.10124	3.7
123.04439	0.9
123.08060	3.9
123.11712	3.7
125.09613	2.1
126.81070	0.5
127.03939	1.2
129.06975	0.6
131.08542	3.9
133.10124	21.9
135.08041	1.9
135.11697	3.8
136.72876	0.6
137.05984	0.6
137.09605	4.7
145.04936	1.2
145.10117	3.2
147.04424	1.1
147.11700	2.7
149.09608	3.3
149.13266	1.3
151.11182	11.6
155.08382	0.6
157.10165	0.9
159.11668	1.8
161.09613	1.1
161.13255	0.6
163.05998	1.4
163.11192	3.2
165.09103	0.9
165.12753	1.2
169.12227	1.9
171.11584	0.7
173.13268	0.9
175.11182	1.3
177.12737	1.8
179.10660	0.8
191.10719	0.8
193.12260	1.6
195.13867	0.7
209.11690	0.7
211.13335	1.3
215.12794	1.4
223.13242	0.7
225.14786	0.7
229.19498	1.1
247.20439	0.8
253.14326	8.9
257.19070	1.4
267.15912	1.2
268.74683	0.5
271.15405	1.3
275.20029	11.2
285.16949	8.1
293.21078	5.0
349.23694	7.2
367.24771	100.0
368.25146	1.7
385.25894	6.8
529.30194	0.9
611.87354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26042	0.7
51.78453	0.6
52.63355	0.6
53.03937	1.4
54.26392	0.7
55.01868	4.8
55.05510	8.5
57.03430	3.2
57.07069	1.7
61.02915	3.2
65.03949	0.7
67.05504	22.0
69.03417	2.4
69.07067	5.6
71.04990	3.0
71.08632	1.1
71.58723	0.9
73.02914	1.2
73.06526	0.7
73.39847	0.7
79.05492	13.8
81.03416	3.8
81.07048	21.7
83.04975	5.2
83.08626	5.1
85.02898	4.3
85.06532	3.2
91.03945	2.3
91.05477	17.8
93.07043	11.4
95.04970	5.2
95.08601	10.5
97.02888	3.7
97.06522	2.4
97.10187	1.7
99.08136	0.8
104.72256	0.7
105.07028	14.6
106.07422	0.8
107.04947	6.1
107.08591	12.5
109.06503	3.5
109.10150	16.0
111.04469	1.0
111.08095	1.0
113.09649	0.9
117.07016	2.8
119.08574	6.2
121.06509	1.2
121.10115	3.2
123.04469	1.4
123.08076	3.2
123.11705	3.2
125.09638	3.2
127.03949	1.4
127.07595	1.0
129.07028	1.7
131.08563	4.4
133.10126	20.9
135.08000	1.7
135.11673	3.8
137.09613	3.7
143.08594	1.3
145.04950	1.0
145.06493	0.9
145.10104	2.7
147.04405	1.0
147.11647	3.1
149.09593	2.2
151.11179	9.3
155.08560	1.1
157.10098	1.6
159.11707	1.6
161.09648	0.9
161.13269	0.8
163.06013	0.7
163.11206	3.3
165.12648	1.0
169.12222	1.4
171.11674	0.8
173.13234	1.4
175.11134	1.2
176.05193	0.8
177.12700	0.9
179.10620	1.1
193.12259	1.2
195.13898	1.0
211.13298	1.8
215.12790	1.8
229.69583	0.7
231.72987	0.7
244.81395	0.7
245.58145	0.9
247.20549	1.5
253.14319	9.4
267.15948	1.6
271.15350	2.6
275.20029	10.5
283.15326	0.8
285.16928	8.9
293.21075	5.8
349.23749	7.1
367.24771	100.0
368.24994	2.0
385.25800	4.9
511.32950	1.5
529.30273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01880	2.5
55.05270	0.5
55.05512	8.1
57.03437	3.0
57.07053	0.7
61.02930	4.0
65.03941	0.6
67.05174	0.8
67.05504	12.6
69.03437	3.0
69.06735	0.7
69.07068	9.4
70.15818	2.4
71.04964	1.7
71.08629	10.0
73.02898	1.5
79.05060	0.7
79.05492	9.6
81.03414	7.9
81.07056	13.3
83.04980	3.3
83.08623	4.9
85.02909	5.8
85.06521	1.7
91.03932	2.2
91.05479	8.0
93.07050	8.6
95.04976	7.6
95.08608	7.3
96.27864	0.5
97.02901	2.5
97.06499	2.2
97.10174	5.6
99.04469	0.7
99.08093	7.8
105.07034	6.8
107.04933	3.1
107.08595	7.1
108.51137	0.5
109.02870	1.1
109.06507	3.2
109.10162	8.2
111.08036	1.9
111.11732	0.6
117.07027	1.5
119.08575	3.5
121.06504	4.4
121.10136	3.3
123.08045	1.8
123.11716	2.0
125.09624	4.0
127.03906	1.7
129.06973	1.1
131.08551	2.2
133.06496	0.8
133.10127	8.1
135.08028	1.9
135.11678	2.0
137.05984	1.2
137.09538	0.9
139.11153	0.9
140.78384	0.5
145.04865	1.1
145.10097	2.1
147.04385	0.5
147.11644	2.4
149.09579	2.3
149.13266	1.0
151.11206	5.0
157.10092	1.1
159.11699	1.2
161.09547	0.5
163.06029	1.2
163.11230	1.3
164.11954	0.8
165.09161	0.8
165.12733	0.9
167.07024	0.8
167.10681	2.0
169.12131	0.7
175.11209	1.1
177.12755	2.1
189.11198	1.5
193.12236	5.9
195.13847	1.0
211.13261	4.1
215.12871	0.9
227.12732	2.5
229.19554	0.6
233.07860	0.6
237.14771	1.2
247.20616	1.0
253.14436	2.3
265.21545	0.7
267.15903	3.9
271.15262	0.6
275.20084	8.3
285.16962	19.2
293.21106	77.4
294.21405	1.4
349.23639	3.7
367.24789	100.0
368.25177	1.2
385.25778	1.1
389.18503	0.6
429.21155	1.5
484.94327	0.5
515.38977	0.7
529.29834	2.0
753.01318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.4
55.05509	7.0
65.03947	10.9
65.13414	2.4
67.05502	12.3
68.99767	2.3
69.03434	11.4
71.58753	3.7
73.78641	1.9
83.04481	3.9
83.04984	65.6
83.05464	4.4
85.02908	20.0
87.04503	2.6
90.57521	2.1
93.03410	36.0
95.04974	7.7
99.00826	4.5
107.04977	4.3
111.04448	100.0
117.01884	3.3
121.02886	15.2
123.04421	12.6
129.05487	53.4
135.03535	2.2
135.04398	11.3
139.03908	71.3
145.02869	4.4
145.69504	1.9
147.06598	2.2
157.04973	59.0
163.03909	32.0
175.06035	65.7
177.07010	2.7
181.06511	5.7
186.18056	2.1
189.05405	2.2
192.00931	2.0
195.08080	2.6
199.07497	2.9
203.03406	5.3
204.93948	2.1
205.06592	11.3
223.07620	13.7
233.05957	14.1
237.02866	2.3
245.08174	6.3
251.07065	39.0
261.05682	5.4
269.08069	24.2
273.06018	35.0
279.03525	4.3
279.06537	66.6
283.05951	3.6
289.04932	3.0
297.07599	67.9
307.05966	15.3
325.07071	48.1
337.08948	2.8
343.08139	14.2
447.11392	15.1
499.12378	52.2
517.13397	5.3
615.88470	2.2
712.53864	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.66476	0.8
55.01878	2.1
55.05515	12.1
57.03449	4.1
57.07071	1.8
59.05000	1.2
61.02916	5.3
65.03932	2.5
67.05507	59.8
68.05838	1.0
69.03419	3.3
69.07077	7.4
69.66348	4.9
69.66757	2.0
71.04995	48.0
79.05061	1.1
79.05498	18.4
81.03414	3.7
81.07059	100.0
82.07350	1.0
83.04994	7.5
83.08622	9.1
85.02912	3.3
85.06539	10.0
87.04464	1.4
91.05483	30.8
93.07050	22.4
95.04951	3.5
95.08605	11.1
97.02888	2.5
97.06529	6.3
97.10171	2.6
99.08114	2.3
105.06388	1.6
105.07037	17.8
105.07699	0.9
107.07877	1.0
107.08599	18.7
109.06523	2.4
109.10164	9.8
111.08085	2.9
113.06013	1.0
117.07053	4.7
119.08570	2.3
121.10136	6.6
123.08043	1.0
123.10822	1.3
123.11711	21.3
125.09581	2.3
127.03835	1.4
131.08578	5.2
133.10135	27.5
135.11688	5.6
139.11165	0.8
147.11702	1.1
148.90265	0.8
149.09592	0.9
149.13289	8.3
151.11192	14.1
159.11673	7.3
169.12265	1.8
173.11731	1.0
177.12766	4.8
183.13802	9.1
187.13344	5.1
195.13762	5.2
213.14755	1.1
225.14781	1.8
229.14366	1.2
257.17462	2.8
269.17551	6.5
283.19077	1.1
301.16983	0.7
301.20074	20.3
325.69550	0.8
425.28992	5.9
437.28912	4.4
451.30515	10.7
463.30579	7.4
469.31638	71.6
470.31955	1.5
483.33365	10.7
495.33163	46.6
496.33472	1.3
527.35815	51.6
528.35980	1.7
639.36652	1.2
724.39563	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	724.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74343	1.4
53.03940	3.3
55.01871	7.3
55.05508	44.9
57.03432	17.5
59.04993	3.3
61.02919	2.4
62.93773	1.3
65.03918	3.0
67.05502	100.0
69.03418	4.3
69.07065	11.0
71.01341	1.9
71.04970	5.5
71.32462	3.8
73.02902	3.2
75.04484	1.5
77.49352	1.3
79.05061	2.4
79.05489	31.5
81.03414	16.1
81.06577	2.6
81.07050	39.8
83.04987	12.2
83.08620	16.4
85.02901	16.6
85.06522	3.3
87.04451	5.7
91.05482	19.5
93.07040	20.0
95.04956	7.3
95.08607	16.6
97.02879	8.1
97.06509	5.5
97.10169	30.5
98.20341	1.2
102.31796	1.5
103.03941	10.2
105.07026	5.2
107.04941	5.3
107.08589	18.7
109.06487	3.7
109.10152	64.4
109.69341	1.2
111.04415	3.9
111.08071	5.2
115.05391	1.2
117.07005	5.1
119.08576	9.9
121.06496	2.8
121.10139	7.4
123.07986	2.2
125.09624	32.1
129.05441	1.9
129.06998	2.2
131.08554	4.9
133.10094	4.5
135.08018	1.7
135.11659	9.1
137.09595	3.7
141.61919	1.3
143.10646	5.5
145.10115	4.5
147.11710	3.5
149.13234	5.7
153.12720	11.7
155.10640	4.8
159.11716	4.7
163.11212	14.7
173.09592	2.4
173.10114	2.2
173.11725	35.4
177.12674	2.2
181.12215	8.0
189.11191	1.6
191.10672	5.0
193.12228	4.5
195.13785	12.6
199.13266	6.1
207.09987	1.5
209.11732	15.7
211.13336	1.4
213.14946	2.9
217.14334	4.9
227.12729	16.2
229.14340	66.2
245.13625	2.6
257.13797	20.2
283.15381	25.8
301.16458	36.8
319.17471	5.5
477.30890	1.4
527.32318	17.1
530.75909	1.3
754.86578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.4
55.05515	20.8
57.03434	13.7
59.04982	1.3
61.02913	3.5
67.05503	32.0
68.35425	1.1
69.03441	5.9
69.06731	1.7
69.07061	8.9
70.71115	3.4
71.04991	5.9
79.05062	1.9
79.05494	28.4
81.03418	84.6
81.07058	32.7
83.04978	11.8
83.08617	23.4
85.02909	14.4
85.06535	2.3
87.04449	1.4
91.05480	28.8
93.07047	20.8
94.39921	1.3
95.04966	27.5
95.08596	12.4
97.02905	3.8
97.06516	5.2
97.10159	10.6
99.04451	1.6
99.08096	1.2
105.07028	20.3
107.04955	10.5
107.08588	14.6
109.02872	1.2
109.06516	5.1
109.10152	11.7
110.28508	1.1
111.04413	4.4
111.08078	9.9
113.05977	2.1
115.05475	1.2
117.07030	5.4
119.04880	1.5
119.08577	19.2
121.02837	1.2
121.06528	4.2
121.10147	12.1
123.08066	3.6
123.11680	1.4
125.09631	8.8
125.65617	1.2
128.06219	1.4
129.05475	1.7
129.06995	11.7
131.08574	12.4
133.06488	5.1
133.10129	10.9
135.07991	2.0
135.11687	3.4
137.05910	1.4
137.09637	2.8
142.07751	3.6
143.08592	2.3
145.06439	3.5
145.10141	6.3
147.04431	2.2
147.08038	5.4
147.11696	11.1
149.09650	6.7
151.03928	1.1
151.07487	1.4
151.11172	2.1
153.09097	1.5
157.10127	14.4
159.08012	1.8
159.11696	1.6
161.09634	1.5
163.11177	5.2
165.12729	2.5
173.09714	1.6
173.11703	2.9
175.11197	13.2
181.12157	1.3
189.09030	1.2
189.11209	3.0
191.10716	1.9
193.12244	34.4
199.11278	1.4
209.11673	2.9
211.13275	25.9
215.14383	1.4
225.14874	1.5
227.12785	2.4
229.14365	4.6
231.13718	1.4
233.15428	3.5
241.14259	1.2
249.14885	2.0
267.15906	47.3
268.16275	1.4
273.14883	2.8
283.15433	3.4
285.16959	22.8
301.16702	2.9
334.23813	1.3
349.21735	2.4
357.24066	1.4
365.23038	1.7
367.22653	7.8
385.23621	15.2
403.24841	8.0
441.26321	5.1
451.26868	2.4
459.27420	66.7
460.27576	3.9
469.27896	1.6
477.28479	100.0
478.28680	3.5
495.29706	2.5
509.26947	1.6
519.29706	2.0
527.28088	2.9
562.33771	1.8
724.42126	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	724.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.1
55.05515	14.9
57.03434	14.0
61.02918	3.0
65.03938	1.2
67.05506	24.7
69.03426	7.1
69.07085	6.8
70.10352	3.8
70.10756	2.1
71.04990	3.1
79.05496	23.4
81.03423	89.1
81.07058	24.2
83.04986	12.7
83.08625	25.1
85.02910	12.9
85.06553	1.7
91.05480	27.0
93.07051	18.3
95.04967	30.5
95.08609	11.3
97.02909	5.5
97.06524	4.3
97.10187	6.5
105.07039	21.3
107.04953	10.1
107.08609	10.1
109.06507	6.7
109.10159	9.0
111.04440	2.7
111.08074	9.8
113.06064	1.8
115.05455	1.4
117.07019	4.2
117.12795	1.2
119.08579	18.3
121.06504	4.9
121.10169	9.4
123.04441	1.5
123.08061	3.4
123.11741	1.4
125.05976	1.6
125.09645	4.4
127.03938	1.4
128.69904	1.2
129.07019	11.9
131.04932	2.7
131.08577	12.7
132.24646	1.4
133.06488	5.8
133.10146	10.3
135.04425	1.6
135.08054	3.4
135.11696	1.8
137.09666	1.6
142.07816	2.2
143.08539	2.8
145.06523	3.1
145.10150	4.0
147.04428	1.9
147.08051	4.3
147.11688	11.7
149.09607	8.1
151.11232	1.8
155.08566	1.4
157.10132	15.1
159.08076	1.9
163.11163	2.9
165.12781	2.1
169.12143	1.4
173.09680	2.1
173.11754	2.6
175.11197	14.0
189.09126	1.7
193.12248	35.7
205.12254	1.4
207.10201	2.2
209.11626	2.4
211.13290	21.0
227.12689	3.0
229.14294	4.9
236.75780	1.2
249.14894	3.4
255.13789	1.6
257.25516	1.2
267.15921	100.0
273.14828	5.2
280.18344	1.4
283.15402	3.2
285.16956	18.2
341.21066	1.6
349.21548	4.0
365.23196	2.1
367.22629	11.0
385.23807	12.1
402.96976	1.2
403.24768	5.1
415.24619	1.7
433.25998	13.1
441.26401	5.6
459.27423	73.1
460.27637	1.4
477.28525	51.6
477.35449	2.4
519.29327	2.4
527.28503	3.0
714.55780	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85676	1.5
55.01864	2.9
55.05518	10.9
57.03431	3.2
59.04998	2.1
61.02938	9.6
67.05508	22.2
68.67982	1.9
68.99805	1.7
69.03423	4.4
69.07067	3.7
69.94817	4.2
69.95224	6.1
71.04985	7.5
73.02902	2.9
79.05486	14.4
81.03410	6.6
81.07056	24.0
83.04977	3.7
83.08601	6.0
85.02896	5.0
85.06538	2.8
87.04464	7.3
91.03962	3.3
91.05473	13.7
93.07045	8.8
94.06581	4.2
95.04977	4.9
95.08591	7.0
97.02882	5.8
97.06505	2.2
97.10143	6.6
98.20781	2.4
99.04481	2.7
99.82722	1.7
105.07028	4.5
106.21193	1.7
107.04942	2.3
107.08593	7.1
109.10147	7.3
111.08102	2.7
117.07005	3.8
119.08588	2.4
120.08117	2.1
121.10127	4.0
123.11723	2.7
125.09621	5.0
131.08572	2.5
132.08099	3.0
133.10121	5.3
135.11691	3.4
137.09579	1.8
145.10149	2.2
148.07561	12.2
148.39859	1.8
149.13217	3.9
150.09131	4.7
155.08681	1.8
155.91743	2.0
159.11713	2.8
161.11707	1.9
162.09142	23.9
163.09912	3.0
163.11159	2.4
164.10666	1.9
173.11646	2.1
174.09073	1.9
176.10669	2.3
180.10158	3.4
184.11205	2.0
188.10677	4.9
191.10637	2.1
193.12225	2.2
202.12335	2.4
218.11984	1.9
218.53430	1.6
229.14349	3.7
268.16739	4.1
269.17438	5.3
270.18274	3.1
283.15378	4.1
286.18011	7.8
295.05753	1.8
298.17953	3.0
300.19531	6.6
301.16589	3.6
301.19803	2.5
302.17407	2.2
316.19000	11.1
318.20624	2.9
329.38989	1.9
332.18546	3.2
340.18762	2.1
423.27356	4.2
434.26483	3.0
452.27835	3.3
469.31427	6.1
470.28833	6.1
495.33151	4.5
526.31647	2.6
527.35620	5.5
544.32367	10.2
562.33740	100.0
586.33740	3.1
604.34729	3.6
688.36884	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	724.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85676	1.5
55.01864	2.9
55.05518	10.9
57.03431	3.2
59.04998	2.1
61.02938	9.6
67.05508	22.2
68.67982	1.9
68.99805	1.7
69.03423	4.4
69.07067	3.7
69.94817	4.2
69.95224	6.1
71.04985	7.5
73.02902	2.9
79.05486	14.4
81.03410	6.6
81.07056	24.0
83.04977	3.7
83.08601	6.0
85.02896	5.0
85.06538	2.8
87.04464	7.3
91.03962	3.3
91.05473	13.7
93.07045	8.8
94.06581	4.2
95.04977	4.9
95.08591	7.0
97.02882	5.8
97.06505	2.2
97.10143	6.6
98.20781	2.4
99.04481	2.7
99.82722	1.7
105.07028	4.5
106.21193	1.7
107.04942	2.3
107.08593	7.1
109.10147	7.3
111.08102	2.7
117.07005	3.8
119.08588	2.4
120.08117	2.1
121.10127	4.0
123.11723	2.7
125.09621	5.0
131.08572	2.5
132.08099	3.0
133.10121	5.3
135.11691	3.4
137.09579	1.8
145.10149	2.2
148.07561	12.2
148.39859	1.8
149.13217	3.9
150.09131	4.7
155.08681	1.8
155.91743	2.0
159.11713	2.8
161.11707	1.9
162.09142	23.9
163.09912	3.0
163.11159	2.4
164.10666	1.9
173.11646	2.1
174.09073	1.9
176.10669	2.3
180.10158	3.4
184.11205	2.0
188.10677	4.9
191.10637	2.1
193.12225	2.2
202.12335	2.4
218.11984	1.9
218.53430	1.6
229.14349	3.7
268.16739	4.1
269.17438	5.3
270.18274	3.1
283.15378	4.1
286.18011	7.8
295.05753	1.8
298.17953	3.0
300.19531	6.6
301.16589	3.6
301.19803	2.5
302.17407	2.2
316.19000	11.1
318.20624	2.9
329.38989	1.9
332.18546	3.2
340.18762	2.1
423.27356	4.2
434.26483	3.0
452.27835	3.3
469.31427	6.1
470.28833	6.1
495.33151	4.5
526.31647	2.6
527.35620	5.5
544.32367	10.2
562.33740	100.0
586.33740	3.1
604.34729	3.6
688.36884	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	724.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01868	3.0
55.05270	0.9
55.05511	14.2
57.03437	4.5
59.04985	1.2
61.02929	4.4
65.03945	0.6
67.05505	17.2
69.03422	5.4
69.07066	15.7
70.22823	2.5
70.23154	0.7
71.04961	1.7
73.02907	1.2
73.20464	0.6
77.03923	0.6
79.05491	12.8
81.03416	8.4
81.07054	17.0
83.04973	4.1
83.08614	7.3
85.02905	5.4
85.06543	1.1
91.03936	2.3
91.04904	0.7
91.05469	11.3
93.07037	11.7
95.04971	6.3
95.08602	7.3
97.02897	7.0
97.06505	3.0
97.10152	8.7
105.07030	9.2
107.04959	5.0
107.08588	9.4
108.80859	0.6
109.02906	1.0
109.06489	2.6
109.10149	8.6
111.04443	1.2
111.08061	1.7
116.06213	0.6
117.07027	5.2
119.04939	0.9
119.08576	7.5
121.06505	2.2
121.10157	3.7
123.04442	0.6
123.08044	2.6
123.11684	1.7
125.09628	8.0
127.03905	1.0
128.06221	0.8
129.06996	2.7
131.08549	4.7
133.06479	2.7
133.10133	7.3
135.08015	2.6
135.11685	2.0
136.35854	0.6
137.09616	0.9
143.08551	1.9
143.10675	1.0
145.04929	0.9
145.10083	3.6
147.08029	4.0
147.11656	2.5
149.09612	1.7
149.13292	1.2
151.07579	0.6
151.11136	2.3
155.55779	0.6
157.10117	2.4
159.07999	1.0
159.11676	1.7
161.09624	2.1
161.13303	0.9
162.10277	0.6
163.06041	0.8
163.11197	1.7
165.09082	0.8
169.12204	1.3
171.11691	0.7
173.09644	1.2
175.11162	2.5
177.12753	1.1
189.11195	2.4
189.12723	0.8
193.12262	4.2
205.12318	1.3
211.13298	2.2
223.13269	12.0
227.12715	4.0
233.15324	0.8
245.13768	0.7
245.19052	1.7
249.14810	2.6
253.14346	2.9
255.17511	0.9
265.14450	0.8
267.15802	2.2
271.15469	1.1
273.18478	7.7
283.15341	0.8
285.16946	10.4
291.19522	63.8
292.19824	1.1
297.17081	1.1
301.16696	0.7
323.09229	0.8
347.22244	3.3
355.12164	0.8
365.23212	100.0
366.23706	3.0
429.21091	1.2
451.26907	1.0
477.28253	1.7
495.29703	0.9
527.28156	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03936	2.2
55.01878	6.6
55.05513	11.1
56.55367	0.7
56.96557	0.8
57.03429	9.3
57.07064	0.9
59.04996	1.2
61.02929	7.9
65.03931	1.4
67.05505	35.8
69.03421	4.0
69.07064	10.1
71.04996	5.0
71.59062	1.1
73.02897	2.8
79.05495	20.7
81.03410	7.9
81.07056	45.2
82.07368	1.3
83.04984	9.1
83.08611	5.3
85.02906	8.3
85.06544	5.8
87.04451	0.9
91.03955	4.3
91.05483	35.0
93.07044	25.5
95.01365	0.9
95.04968	10.5
95.08608	13.1
97.02898	5.3
97.06530	5.8
97.10177	2.2
99.04446	3.1
103.05481	1.2
105.07030	29.5
107.04946	8.3
107.08595	26.5
109.02844	1.1
109.06522	5.9
109.10155	36.4
110.10498	1.4
111.04455	1.8
111.08083	2.9
113.06019	1.9
115.05456	0.9
117.07018	5.7
119.04972	1.0
119.08575	8.3
121.06483	4.3
121.10150	5.9
123.04466	1.2
123.08061	4.0
123.11716	8.4
125.09620	2.3
127.03919	1.9
127.07538	2.5
128.06197	1.6
129.05470	2.0
129.06995	2.3
131.04912	1.1
131.08556	6.7
133.06496	5.5
133.10127	45.4
134.10516	1.3
135.08058	6.7
135.11702	3.8
137.05994	1.3
137.09529	1.4
139.07579	1.3
140.68227	0.8
143.08559	4.5
145.04961	1.5
145.06442	0.9
145.10107	6.8
147.08029	2.3
147.11696	2.0
149.09608	6.6
149.13240	1.2
151.11177	23.3
157.10066	1.9
159.08044	3.3
159.11607	1.4
159.22803	0.8
161.09608	4.5
163.06055	1.6
163.07445	0.8
163.11157	3.9
165.12735	0.8
169.10039	1.0
169.12250	4.6
171.11658	1.9
173.09647	1.6
175.11192	3.0
177.09129	2.7
179.10648	1.6
185.13393	1.4
189.12758	1.4
191.10759	1.0
193.12228	1.3
203.14243	0.9
209.11664	1.1
215.12778	2.8
227.12743	1.0
227.18034	1.3
229.14380	1.1
237.16545	0.9
245.19055	2.9
251.12808	1.5
253.14354	78.8
254.14618	1.2
255.17418	1.9
263.20090	3.0
267.15976	1.7
269.13718	2.5
269.17395	0.9
271.15372	11.4
273.18488	13.0
283.15375	2.6
285.16995	3.4
291.19540	13.8
301.16534	2.0
301.19989	1.4
309.20547	1.0
337.23587	0.9
347.22119	7.8
365.23239	100.0
366.23651	1.8
381.19095	1.1
383.24350	1.5
415.19696	1.1
451.26862	1.8
459.27414	2.6
463.30197	1.6
469.27966	1.5
477.28378	2.9
495.29526	2.8
527.28308	1.7
721.69708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20582	0.9
53.03943	2.1
54.33837	0.8
55.01862	1.4
55.05494	1.5
55.89445	0.9
57.03434	1.6
62.90293	1.0
67.05511	1.8
68.99790	1.6
69.03429	11.6
69.28257	11.9
70.06572	0.9
79.05490	4.3
81.03412	6.7
81.07045	4.2
83.04984	2.2
85.02912	12.7
86.06075	1.4
87.00829	4.7
87.04453	2.3
91.05482	3.5
93.07022	1.9
95.04968	2.4
95.08610	1.8
97.02895	12.5
99.04469	3.0
103.00877	1.0
105.01884	4.8
105.07044	2.4
107.04953	3.8
107.08614	1.3
109.02887	4.9
109.10181	1.3
115.03938	3.0
117.07035	1.3
117.55125	1.0
118.34143	1.0
119.08606	1.7
121.06517	2.0
121.10114	1.2
123.04420	7.3
127.03926	7.8
131.08575	0.9
133.06517	2.3
133.10153	1.5
135.04416	74.3
137.05971	4.5
145.04988	4.0
145.10112	1.2
147.04431	4.2
147.08057	7.0
149.05989	11.5
151.03845	1.4
151.07500	1.1
159.02983	1.0
161.05981	2.2
161.09657	1.2
163.03853	1.4
165.05511	1.6
165.09172	2.0
167.07086	1.1
173.06140	1.2
175.03963	1.2
177.05508	3.8
189.09122	20.6
191.10666	100.0
201.05498	2.7
203.06976	1.3
215.10612	1.4
217.12169	1.4
231.04990	1.2
233.11656	1.2
243.06454	2.1
257.11664	1.6
259.29788	1.0
271.09650	7.5
297.11328	1.1
323.14893	5.9
327.07190	1.7
327.15860	2.7
345.08212	1.1
421.14572	1.2
439.15982	1.2
557.67267	1.2
575.12323	1.0
724.39001	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	723.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.7
57.03432	6.4
61.11772	4.2
62.42710	3.9
67.05174	6.1
67.05509	79.6
69.03426	13.3
69.07055	16.4
71.04999	26.2
71.60010	7.1
79.05495	37.9
79.49899	4.1
81.03410	15.3
81.07058	100.0
83.04996	25.0
83.08639	8.8
85.06537	10.6
87.73063	4.3
91.05497	33.6
93.07047	45.3
95.04969	10.9
95.08611	34.1
97.02885	6.3
97.06500	6.4
97.10229	4.6
104.02910	4.6
105.07004	29.5
107.08572	25.6
109.06549	4.9
109.10159	20.0
111.08112	5.3
117.07025	7.8
119.08586	16.9
121.10139	20.4
123.11690	15.3
129.05464	10.6
129.07014	5.1
131.08562	11.4
133.10165	30.9
135.11697	13.6
145.10089	8.2
147.11655	14.5
151.11186	9.8
159.11722	9.7
169.10094	5.2
173.04562	6.2
177.12714	5.0
177.73486	4.5
187.13281	15.1
260.92899	5.0
269.17496	9.6
335.25757	20.0
341.94730	4.2
369.24210	5.4
370.80524	4.5
503.30786	7.0
503.37274	35.0
505.38986	17.3
529.38403	7.9
561.41248	20.5
673.42908	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	723.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.05508	27.3
55.14643	3.2
57.03429	10.3
57.53241	3.4
58.25996	3.5
59.92791	3.1
62.23100	3.3
67.05177	5.3
67.05507	76.0
69.03422	12.1
69.07056	12.8
69.42136	3.4
71.04994	17.6
79.05496	47.9
81.03424	22.5
81.07059	100.0
83.04990	20.6
83.08611	7.6
85.06529	9.3
89.13446	3.8
91.05490	36.2
93.07046	44.0
95.04931	9.0
95.08603	35.8
97.02876	4.4
97.06514	4.7
97.10229	5.0
98.20719	7.8
99.04488	3.4
105.07018	20.8
107.08597	29.4
109.10143	13.5
111.04432	8.3
117.07034	9.6
119.08584	13.6
121.10166	14.0
123.08063	5.8
123.11696	12.9
129.05458	10.4
131.08562	12.0
133.10144	19.0
135.08023	4.8
135.11668	9.8
135.99548	3.3
141.01549	6.9
145.10158	6.9
147.11659	12.2
149.13278	8.4
151.11209	6.9
159.11674	5.7
171.11742	3.9
173.04462	5.3
187.13246	7.1
195.13788	3.7
225.14922	4.1
229.46529	5.8
243.15800	5.1
261.22092	3.7
267.15915	5.8
269.17368	10.3
275.20663	3.4
277.21298	3.8
282.29910	3.8
293.21115	7.5
317.24667	6.4
331.61642	3.5
335.25809	20.9
351.23221	4.6
394.64877	4.3
503.37283	36.9
505.38553	15.6
529.38666	5.5
543.35980	5.0
559.40979	4.4
561.41901	19.6
577.65741	3.9
705.44153	8.2
723.46124	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76168	0.4
56.96560	6.2
68.96559	0.6
71.03051	1.0
74.49525	0.4
84.12585	0.4
84.96030	3.0
86.84067	0.4
98.97575	25.4
102.97017	0.6
110.97550	5.9
114.40472	0.4
115.73183	0.4
116.98615	20.2
128.97701	0.7
128.98596	12.1
131.00130	0.5
134.98633	0.7
134.99649	10.6
136.93921	0.6
140.98602	2.3
142.99257	0.4
143.00179	5.6
146.98499	0.6
146.99643	11.6
152.98541	1.0
152.99620	0.5
153.00664	0.6
158.01225	0.6
158.98323	0.8
158.99646	13.1
161.01212	11.8
165.00719	1.8
170.99638	12.9
173.01173	1.0
174.99146	0.7
177.00708	18.9
179.02281	2.6
182.99617	9.5
184.02879	0.4
189.00700	21.6
191.02383	0.5
194.99773	0.6
195.01729	2.7
198.01157	0.6
200.02284	0.9
201.00691	49.9
202.01128	0.6
203.02272	0.9
207.01762	2.9
210.01122	0.5
212.02280	0.8
213.00667	3.7
219.01756	40.1
224.02275	1.5
231.01747	6.8
237.02809	19.8
240.02190	1.3
242.03326	1.7
243.01752	18.7
243.04262	0.9
249.02657	0.7
255.03848	1.4
260.04263	0.5
261.02811	82.1
262.03152	1.4
273.02774	6.0
279.03864	55.3
280.04141	1.4
284.04330	0.7
288.02423	0.4
291.03839	16.8
297.04907	1.5
300.04251	0.6
302.05444	3.0
303.03952	1.8
309.04913	2.0
321.04898	33.0
322.05157	0.5
330.67398	0.5
333.04886	3.8
345.04987	0.6
351.05984	9.4
363.05893	1.8
381.07068	25.1
382.07352	0.8
397.52609	0.5
399.08087	33.2
400.08270	0.7
422.09662	1.6
441.09143	100.0
442.09644	2.7
453.09082	2.2
465.09146	0.5
483.09677	0.5
500.43268	0.5
500.87958	0.5
501.11566	0.6
543.12244	1.4
723.10223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.07075	20.4
59.04992	1.6
67.05507	5.2
69.03427	1.5
69.07070	3.4
70.85059	3.9
71.08633	39.5
73.06558	4.4
73.32880	1.3
77.03938	1.5
79.05495	4.1
81.03432	2.3
81.07056	4.6
83.04995	1.6
83.08598	1.6
85.10180	20.9
87.04468	25.3
89.06030	100.0
91.05479	15.7
93.07046	7.8
95.04982	4.1
103.05457	2.0
105.07025	5.7
107.04949	3.0
107.07086	5.8
107.08602	5.3
109.10161	2.9
119.04958	2.6
119.08580	5.2
121.06499	18.9
121.10139	2.8
127.14840	2.1
130.08626	2.1
131.07028	10.6
131.08604	2.5
133.08609	66.9
133.10132	2.3
135.08041	4.6
135.11696	2.0
136.05228	2.3
141.01471	2.3
145.10117	3.1
147.08044	10.4
149.09631	3.7
159.11711	1.5
161.09660	1.4
163.11165	2.7
165.09151	8.1
167.10667	2.4
173.09750	1.4
175.09685	4.0
177.11238	19.7
177.12709	2.6
179.12740	1.5
184.07245	1.7
191.10713	3.1
193.12263	2.2
209.11761	4.2
211.13335	2.3
221.13776	3.4
245.19246	1.5
247.01427	1.5
247.20581	16.3
253.14409	2.1
255.15996	2.1
273.22131	4.1
291.19870	2.7
291.23178	28.9
306.56723	1.4
317.24957	2.8
335.25800	5.6
705.47675	2.6
722.50391	3.1
728.40057	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
53.75559	0.9
55.01866	2.7
55.05520	1.0
57.03445	4.3
61.02917	1.7
65.03934	0.8
67.01867	7.7
67.05499	1.5
67.55899	0.9
69.03430	23.7
69.07050	1.6
69.31024	4.8
69.31454	3.9
70.00569	0.9
71.04999	2.2
73.02906	1.2
75.04492	1.3
79.05486	2.0
81.03414	7.1
81.07050	2.9
83.04999	4.7
83.08662	0.9
85.02905	22.5
85.06541	0.9
87.00836	7.0
87.04471	4.5
91.03954	1.1
91.05476	2.1
93.07057	1.5
95.04967	1.4
95.08591	1.5
97.02895	18.5
98.21989	0.8
99.04438	3.2
103.03909	1.0
103.05463	1.0
105.01878	10.1
105.07024	3.2
107.04955	31.9
108.05274	3.2
109.02894	8.5
109.06583	1.2
109.10126	1.7
111.04446	4.5
115.03940	7.4
117.01862	1.0
119.04925	1.4
119.08640	1.0
120.05750	0.9
121.06511	2.8
121.52146	0.8
122.03625	1.1
123.04417	1.9
127.03911	16.7
129.01822	0.8
129.05481	3.1
131.04935	1.6
133.04967	3.9
133.06505	4.3
133.10071	1.3
135.04422	9.0
136.04735	1.0
137.05991	1.8
139.03906	1.6
143.08554	2.0
145.04971	5.8
145.06467	1.2
147.04410	2.4
148.05183	0.9
149.05969	4.1
157.06462	0.8
159.02882	2.9
159.04326	1.2
161.05989	10.4
161.09579	1.3
163.03911	0.9
165.05479	94.2
165.09106	2.3
174.08231	0.9
177.05486	5.5
178.06067	1.2
179.07170	0.9
187.07472	1.3
189.09103	19.7
190.06119	0.9
190.09608	1.2
191.07028	23.3
191.10681	1.3
193.12344	0.9
200.43010	0.8
205.08611	2.9
213.04005	1.6
215.05441	1.2
215.10718	2.6
221.11720	100.0
222.12015	1.9
223.07774	1.2
231.04997	3.4
239.10338	1.0
247.13278	12.1
252.07941	0.8
253.08575	3.1
255.10229	1.0
266.09299	2.3
267.09906	2.7
273.43253	0.9
283.09601	1.5
284.10443	1.7
285.11179	17.8
293.11673	1.1
299.14877	1.0
307.13434	1.3
308.13654	1.0
309.14755	14.8
310.15076	1.4
326.14807	0.9
327.06802	1.2
327.12296	1.0
339.15891	3.1
340.16660	11.2
341.17111	18.1
345.08209	1.1
351.15829	1.0
353.15836	3.1
379.17709	1.1
457.71713	0.9
533.16260	2.2
546.23755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94400	1.3
55.10723	1.1
55.35949	1.0
55.99420	1.3
56.96563	1.6
58.78072	1.2
58.99827	1.3
69.03410	4.2
70.64428	2.4
70.64757	1.7
77.00905	2.6
81.41546	1.2
82.99828	1.3
85.02887	3.9
86.99374	1.2
91.05469	3.9
97.02872	3.2
98.97587	1.9
101.00854	6.6
105.00377	1.9
109.02850	1.5
115.02418	2.4
116.98588	2.2
119.01916	41.2
119.04927	10.5
121.02840	1.4
127.03906	2.6
131.01913	12.1
133.03435	3.7
133.06412	1.9
135.04420	2.1
137.02953	11.8
138.32124	1.7
143.01906	21.3
145.03491	15.3
146.99651	1.8
147.01395	10.7
147.04396	100.0
149.02916	2.2
155.01854	9.7
157.03481	9.0
161.01492	2.5
161.02946	45.4
163.03804	13.5
164.04370	1.5
167.01950	4.2
169.01797	1.6
169.03487	3.8
171.04984	3.8
173.02972	28.4
173.04489	1.4
175.04512	3.8
177.00589	2.5
179.01942	3.1
179.05563	2.2
181.03531	1.2
183.70738	1.2
184.04584	2.6
185.02956	40.0
186.03174	1.8
187.02777	2.3
187.04538	5.2
189.02570	1.4
191.03978	2.8
193.34326	1.4
196.04382	1.6
197.02940	12.7
197.06647	3.7
200.04247	1.8
201.00731	1.5
203.04007	15.8
205.01947	1.5
205.03603	5.0
211.04617	1.7
215.04010	11.9
219.01630	1.6
219.05064	1.7
221.05051	4.4
223.02594	3.3
223.04524	13.9
227.04022	7.9
229.03447	5.6
237.06105	4.3
241.03331	2.5
241.05530	17.5
243.05185	1.6
244.30414	1.6
245.05048	70.5
246.05547	2.5
247.04507	55.4
248.04767	1.7
257.05023	5.9
259.04822	5.9
261.02847	1.2
261.06192	7.8
263.03705	2.1
263.06143	8.3
265.05594	78.6
266.05750	2.1
270.06091	2.0
273.06290	3.1
275.02850	1.6
275.06198	6.0
279.07120	5.2
281.07159	2.7
281.57162	1.6
283.06665	18.7
285.04736	1.5
287.03976	4.4
288.07166	3.4
289.05621	2.5
291.07239	9.0
293.03537	4.7
293.07126	3.7
295.06787	1.5
301.05615	2.7
305.07486	6.8
307.06555	11.8
309.08157	1.8
313.29233	1.4
319.07050	1.7
323.05328	1.6
335.08273	2.7
349.07635	15.8
350.27457	1.5
351.05438	7.2
361.04132	1.7
365.09290	4.1
367.08664	15.2
377.05475	7.1
379.05096	3.4
395.06714	6.7
397.06134	21.2
415.07214	6.1
421.06049	12.4
431.08438	3.2
433.06140	4.1
437.09085	1.9
438.09415	3.8
439.07159	65.2
451.07248	8.4
457.08951	2.0
462.08920	2.0
463.06857	1.4
469.08521	8.3
481.08545	6.2
499.09454	10.4
505.08304	1.4
523.09363	22.1
529.13776	4.0
541.10468	34.6
557.11951	3.0
559.11371	6.4
703.15851	8.6
721.16821	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01868	2.2
55.05512	15.3
57.03431	8.7
59.04991	3.8
61.02919	4.4
62.35468	1.7
65.84019	1.8
67.05505	100.0
69.03421	7.1
69.07054	8.7
71.04987	7.2
71.08614	7.4
71.58596	2.7
71.59003	1.8
77.83361	2.0
79.05489	23.6
81.03388	9.4
81.07056	38.9
83.04965	7.0
83.08624	9.2
83.26751	1.8
85.02899	5.4
85.06554	2.2
91.04964	2.5
91.05475	23.6
93.07048	28.7
95.04953	5.7
95.08613	19.9
97.02881	5.0
97.06519	5.0
97.10169	3.8
97.79775	1.6
99.04413	2.6
99.08086	7.8
105.07034	11.5
107.04949	3.2
107.08588	9.3
109.02899	3.0
109.06508	2.0
109.10156	64.5
111.08060	3.9
114.60667	1.7
117.07024	5.1
119.08585	13.2
121.10123	7.0
123.08117	2.4
125.09609	4.1
127.03915	3.5
131.08574	4.2
133.10136	5.5
135.11713	3.3
136.46426	1.9
145.10106	3.0
147.11653	2.5
149.13258	5.1
151.11153	10.7
155.10710	3.1
159.11720	3.4
161.13245	3.5
163.11169	3.3
165.12671	3.0
171.11649	2.7
173.04393	2.1
173.11736	16.4
173.13087	3.3
177.18410	2.2
179.14310	3.4
189.11211	2.8
195.13799	3.3
196.45891	2.0
199.14578	2.1
227.12766	8.4
229.14349	61.3
260.11621	2.1
269.17474	11.8
277.21637	8.1
327.21536	2.4
351.25369	16.0
399.23419	3.2
423.27438	72.6
505.35373	20.9
720.40045	4.2
721.38074	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	720.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	17.3
55.05511	18.8
65.03938	6.5
67.05494	8.5
69.07061	6.0
70.06596	7.5
70.16334	18.5
71.08557	3.5
76.51065	3.4
79.05489	13.9
81.03414	9.3
81.07039	10.5
82.06573	5.1
83.08598	11.3
83.84151	3.7
85.02915	8.8
91.05471	10.2
93.03414	6.0
93.07030	5.8
95.04976	14.8
96.08102	5.0
97.02898	7.7
97.06522	3.7
98.09697	11.5
98.20748	4.9
100.07608	8.8
100.11252	59.0
101.11581	8.8
103.05461	11.3
105.07024	10.5
106.04144	5.4
107.01298	8.7
107.04942	12.9
109.02876	3.9
110.03670	4.1
110.06022	5.7
111.04430	21.6
119.04932	5.8
121.06494	12.9
122.03619	4.4
123.04450	13.3
124.07696	4.0
124.11217	8.8
125.05999	9.9
126.09179	7.1
126.12797	5.1
127.03915	5.5
128.06198	8.7
128.07083	8.5
129.05490	4.3
129.06998	23.4
131.04919	20.9
131.08614	4.9
133.06505	11.3
135.08063	5.6
137.05963	46.5
138.06390	4.2
139.03899	15.1
139.12271	12.4
140.12718	5.5
141.86507	3.6
145.02863	3.9
145.06494	9.5
147.04425	12.9
147.08092	6.2
149.05991	16.2
151.03931	6.4
151.07553	17.0
153.05443	16.4
157.06499	21.8
159.20142	3.6
160.05193	4.1
161.05966	13.5
163.03874	5.0
163.07521	16.4
167.07066	37.8
173.05940	4.3
174.06755	15.4
175.07541	22.6
177.05447	25.4
179.07076	8.0
181.04964	40.6
181.08554	12.5
182.15428	26.3
183.15756	4.8
187.07526	12.6
188.08258	6.1
189.09102	64.5
190.09445	8.0
191.06992	9.6
193.08652	6.1
201.09082	4.4
205.06779	4.0
205.08646	9.8
209.06235	7.0
209.08083	58.6
209.09909	5.5
209.16496	14.7
210.14883	24.9
210.16637	5.2
211.15218	4.8
217.06586	5.0
217.08609	17.2
219.08080	9.2
219.10141	9.5
221.08099	14.1
223.04247	37.9
226.19075	5.2
235.09608	5.1
249.09082	9.2
263.07132	4.1
265.08487	5.5
269.11786	5.2
277.08655	8.5
279.10202	7.7
297.11533	4.3
307.09546	4.0
307.28564	3.5
309.11118	4.7
311.12811	10.1
312.09012	7.5
314.11237	5.8
321.11414	6.4
325.10861	5.5
329.13788	100.0
339.12125	29.6
343.15363	4.9
353.13797	4.9
357.13318	46.9
358.13577	5.5
371.14883	63.2
375.14322	8.4
389.15866	52.8
428.17178	3.9
429.84894	4.0
438.54132	4.5
458.72760	4.3
473.08966	8.8
553.61975	4.2
580.40424	5.1
677.49451	10.0
701.50897	7.4
702.51538	16.5
703.51166	8.4
719.47711	42.2
720.52972	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84412	4.2
55.01858	4.7
55.05498	15.1
57.03433	13.5
57.07070	44.3
63.35925	3.7
64.30252	4.5
67.05491	18.6
69.07077	11.2
71.04999	4.2
71.08625	28.5
71.60400	5.5
77.98029	4.9
79.05483	26.5
81.07056	22.7
83.08610	14.2
85.10174	16.6
88.49780	4.0
89.06050	4.4
89.06646	3.8
91.05472	9.1
93.07043	34.0
93.93819	3.8
95.08051	5.6
95.08605	60.4
97.02916	7.0
97.06573	6.5
97.10161	7.2
99.04443	5.3
105.06990	6.1
107.04935	9.8
107.08600	28.5
109.10168	12.9
115.17657	3.6
117.07024	10.6
119.08563	9.2
121.06485	7.2
121.10134	8.8
123.11687	3.9
125.05959	4.1
135.11685	55.5
139.07472	5.3
145.10144	30.9
149.45871	3.9
163.11166	67.5
171.04099	4.2
181.12256	15.5
193.23322	4.1
198.56288	4.8
227.12785	72.1
283.15350	81.4
313.27344	100.0
475.21387	5.0
494.37305	4.5
521.38409	93.9
556.79669	5.1
622.27454	17.8
718.46576	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	718.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01860	1.8
55.05499	1.1
57.03434	1.4
65.03936	5.5
67.05499	2.4
69.03423	2.1
69.07072	0.9
70.06566	0.8
71.58721	1.4
72.29792	0.8
75.04480	2.0
78.04692	1.8
79.05485	3.3
81.03413	3.8
81.07043	1.2
82.28204	0.8
85.02911	4.2
89.05988	1.2
91.05482	8.6
93.03416	4.1
93.07027	3.0
93.66522	0.7
94.04171	1.9
95.04955	5.3
97.02895	2.2
97.06539	2.2
99.04457	0.8
102.41014	0.8
103.05469	22.4
105.03392	1.6
105.07055	3.9
106.04176	10.0
107.04959	6.9
108.02124	1.1
109.06499	3.0
111.04436	1.5
115.05472	4.4
117.03325	0.9
117.07001	3.5
118.04160	4.3
119.04934	3.2
119.08604	1.0
120.05791	1.0
120.74333	0.9
121.06509	13.0
122.03637	2.3
123.04436	2.9
125.06022	5.8
129.07013	1.4
131.04932	33.1
131.08551	0.8
132.05727	1.8
133.02861	2.5
133.06474	5.7
134.03670	1.5
135.04425	2.1
135.08067	2.7
137.05971	52.0
139.03903	1.2
139.07527	1.4
141.05408	2.2
143.04929	2.1
145.02899	1.1
145.06482	4.9
145.10147	0.8
147.04404	3.7
147.08063	1.8
148.05191	10.9
149.05988	19.0
151.03903	58.2
151.04973	3.7
151.07530	2.3
153.05460	2.8
153.09137	4.7
157.06525	1.3
159.08125	1.1
160.05241	1.7
161.06007	5.6
163.03897	3.2
163.07544	25.6
165.05489	4.1
165.09206	1.0
166.06241	1.0
167.07045	25.1
171.06570	2.2
173.05988	5.2
175.03955	0.8
175.07559	4.0
176.04744	2.8
177.05490	15.5
177.09103	1.4
179.01691	1.1
179.07059	2.6
181.04948	38.9
181.08533	12.1
187.07581	2.1
189.05435	1.0
189.09074	1.3
190.06224	1.1
191.07030	100.0
192.07602	2.8
193.03188	5.7
193.04845	1.6
193.08589	2.3
195.06512	3.5
201.05499	1.7
203.07071	3.0
205.06654	1.0
205.08647	3.2
207.06480	1.6
207.08226	0.9
207.10286	1.2
209.08078	59.1
210.08347	0.8
213.05487	1.0
217.06520	1.4
217.08612	1.4
219.08282	0.8
219.10138	3.8
221.08052	1.2
223.04245	11.9
223.09532	0.8
231.06528	0.9
233.06146	0.9
233.08080	4.4
234.06721	1.3
235.07611	1.8
235.09712	3.4
237.09013	1.6
240.33940	0.8
245.08096	1.3
259.09534	1.1
263.06656	1.5
263.09180	16.9
265.08429	1.2
267.10141	1.6
277.08691	1.8
279.10422	0.9
282.07791	0.9
293.08148	1.1
295.09778	1.0
297.11154	1.4
307.09525	1.6
309.11255	1.4
312.08997	1.6
325.10693	2.1
327.12286	3.0
329.13812	1.6
337.10751	1.5
339.12396	1.1
351.12146	1.9
355.11804	6.4
357.13290	3.6
359.14899	1.9
367.11597	0.8
369.13242	2.8
385.12811	5.3
387.14371	20.0
417.15155	5.7
474.10284	0.9
524.04645	1.1
547.19763	2.3
558.50360	0.9
636.43115	0.9
722.67560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01307	1.0
53.03941	2.8
55.01864	4.3
55.05510	16.5
57.03436	10.9
57.07078	1.2
58.18982	1.2
59.04999	9.4
61.02930	3.1
62.60650	0.9
63.51163	0.9
65.03938	4.2
67.05507	100.0
69.03427	6.5
69.07070	16.3
71.04996	6.1
71.58519	1.5
71.59000	1.5
73.02927	1.2
79.05494	24.7
81.03429	8.6
81.07059	37.0
83.04980	6.6
83.08616	11.8
85.02926	5.5
85.06543	4.5
88.61862	1.6
91.03964	1.8
91.05479	25.3
93.07044	25.9
95.04967	5.8
95.08610	14.4
97.02885	4.2
97.06536	8.3
97.10164	7.6
99.04475	1.4
99.08100	2.6
103.07594	2.0
103.62355	1.2
105.07037	16.1
107.04965	4.3
107.08587	20.1
109.05462	1.1
109.06513	3.5
109.10156	72.2
111.08102	5.6
117.07063	7.1
119.08597	16.3
121.06524	3.0
121.10132	6.3
123.08043	2.6
125.09638	4.3
127.03854	3.0
129.06941	1.5
131.08556	8.8
133.06503	1.2
133.10121	10.1
135.07988	2.5
135.11662	6.4
137.09602	3.2
141.07045	1.1
143.08592	1.5
145.10129	8.4
147.11685	6.9
149.09651	7.7
149.13254	4.0
151.11163	1.4
155.10701	3.6
157.10176	2.2
159.11682	6.9
161.13229	2.4
163.11192	5.2
169.10153	1.8
171.11726	2.8
173.04512	1.3
173.11780	21.8
173.13284	4.4
177.12799	2.9
179.14348	2.1
189.11206	2.9
195.13811	1.9
197.13222	1.4
227.12761	12.0
229.14355	51.1
239.17963	1.9
247.20512	2.5
255.15913	4.5
257.18939	7.1
269.17477	7.8
275.20108	17.2
293.21051	2.2
325.20349	1.4
331.22885	1.4
349.23734	16.2
351.18564	2.2
367.18024	1.2
399.23917	2.9
409.25824	12.0
423.27396	43.0
503.33731	25.7
521.34741	3.9
565.23657	1.2
567.31445	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	718.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01873	1.8
55.34649	1.3
60.94805	1.2
62.47892	1.1
65.03934	4.4
66.53174	1.2
67.05509	2.3
69.03421	1.8
70.61892	1.1
71.58712	1.2
71.59061	1.6
75.04468	2.4
77.45688	1.1
79.05482	5.1
81.03412	2.9
81.07059	1.6
82.71403	1.2
85.02892	4.6
89.03932	2.4
91.05480	10.1
93.03409	7.7
93.07050	3.4
95.04976	7.7
95.08608	1.5
97.06535	1.7
99.04491	1.2
103.03957	1.3
103.05470	22.8
105.03346	2.2
105.07023	5.2
106.04161	9.1
107.04943	7.3
108.02080	1.6
109.06491	2.7
111.04438	2.9
111.08022	1.4
115.05453	4.9
117.06988	4.4
118.04167	4.7
119.04121	1.2
119.04946	4.2
121.06499	14.6
122.03626	4.6
123.04433	5.0
124.05203	1.4
125.06010	6.1
129.06950	2.0
131.04930	31.6
131.50761	1.2
132.05699	2.5
133.02838	1.9
133.06462	6.1
134.03651	3.2
135.04396	2.4
135.11708	1.1
137.05969	63.9
139.07536	1.6
141.01434	2.0
141.05446	2.4
145.05435	1.3
145.06459	8.0
146.03566	1.6
147.04375	2.0
147.08083	1.8
148.05174	11.9
149.05969	24.5
151.03906	68.5
151.04999	4.5
151.07521	2.7
153.05489	3.3
153.09088	6.0
157.06564	1.6
159.04387	1.8
159.08125	1.4
160.05258	1.3
161.05963	5.0
162.01392	1.4
163.03868	3.1
163.07544	28.4
163.08943	1.5
165.05458	4.6
167.07053	18.8
171.06566	2.1
173.05971	3.9
175.07549	5.0
176.04695	3.3
177.05473	18.3
177.09087	1.5
177.82516	1.2
179.07051	2.8
181.04958	28.2
181.08551	13.3
187.07549	2.4
189.09126	1.6
190.06227	1.5
191.07024	100.0
193.03203	2.6
193.08685	1.8
195.06516	3.2
203.07057	3.7
205.08534	3.1
207.06483	2.3
207.10214	1.9
209.08084	69.0
217.08566	1.3
219.10188	2.2
219.13866	1.2
223.04248	17.0
233.08043	3.6
235.09587	4.8
241.08333	1.1
245.08060	2.0
263.06552	1.9
263.09146	18.1
265.08609	1.5
267.10181	1.9
295.05911	2.1
295.09567	1.6
312.09082	2.3
325.10559	2.0
327.12268	2.6
329.13626	1.6
337.10870	1.5
351.12479	1.8
355.11758	6.4
357.13159	3.3
359.14548	1.5
364.53387	1.2
369.13184	3.1
385.12643	3.4
387.14365	23.8
417.15298	2.1
430.22092	1.3
579.22247	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.5
51.02372	0.7
53.03936	0.3
53.74430	0.1
55.01863	0.3
55.05515	0.3
55.74452	0.1
55.99138	0.1
57.03438	1.4
59.04994	0.4
61.02910	0.4
67.05515	0.2
68.99788	0.3
69.03428	7.3
71.01329	0.2
71.04983	0.3
71.58678	0.2
71.59060	0.2
73.02905	0.4
75.04481	0.4
78.03453	2.3
79.05505	0.1
81.03418	1.8
83.04984	1.2
85.02902	5.8
86.04878	0.1
87.00830	1.2
87.04456	2.3
91.05496	0.4
93.07041	0.2
95.04983	0.3
96.04490	100.0
97.02889	4.1
97.04816	0.6
99.04453	0.6
103.03927	0.2
105.01860	1.2
105.07035	0.3
105.84525	0.2
109.02876	1.6
111.04459	1.2
112.03981	0.9
115.03925	3.1
117.07082	0.2
119.04912	0.3
125.02415	0.2
127.03922	3.0
129.01837	0.2
129.05489	1.2
129.07025	0.2
133.04944	1.8
134.07214	0.3
136.07573	1.3
137.06032	0.2
139.03886	0.3
145.04970	0.8
145.06572	0.2
147.02834	0.2
151.03918	0.2
153.93591	0.2
157.04997	0.1
159.02898	0.6
169.04984	0.2
173.05980	0.4
185.06009	0.5
187.06026	0.5
189.03983	0.3
201.05556	0.4
205.04999	0.3
213.03963	0.3
215.05583	0.6
223.06084	0.2
227.10657	0.4
231.05060	0.8
243.10051	0.3
273.06107	0.2
327.07373	0.3
338.13895	3.1
542.20544	0.3
586.19025	1.0
610.16028	0.2
674.24237	0.2
718.23517	2.9
718.35809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.26333	0.4
55.01865	0.8
55.05488	0.4
57.03432	1.4
57.64487	0.3
59.05003	0.5
69.03428	5.2
69.41553	2.9
69.41956	0.6
73.65520	0.4
77.03922	0.5
79.05476	1.2
81.03422	2.1
83.04990	0.9
84.04501	0.4
85.02901	4.8
87.00834	1.0
87.04459	1.7
91.05473	3.7
93.07066	0.5
94.04160	0.6
95.04965	3.5
96.04498	3.2
97.02886	3.8
97.42895	0.4
98.20793	0.7
99.04406	0.5
103.05431	0.6
105.01858	1.3
105.04514	0.6
105.05956	0.5
105.07034	11.2
106.07846	0.8
107.04954	2.0
109.02872	2.0
111.03192	0.8
111.04477	0.8
112.03964	100.0
113.04285	1.2
115.03947	2.6
115.05444	2.1
116.06270	0.5
119.04944	15.2
123.04385	0.4
127.03918	3.6
128.06227	1.7
129.05464	0.9
129.07004	14.9
131.04922	0.5
133.04948	1.8
133.06480	9.4
134.07272	25.3
135.07614	0.7
141.06987	4.4
143.08618	0.4
145.04962	1.2
145.06496	0.5
146.61528	0.4
149.05870	0.7
152.05862	0.9
152.07060	13.5
157.06496	2.9
158.07164	0.4
159.02861	1.2
165.07016	0.7
166.07773	0.8
169.06479	0.8
170.07275	0.8
171.08049	1.3
171.11642	0.5
181.06497	1.4
185.05983	33.0
186.06523	0.9
187.07533	0.9
191.08516	0.8
193.24675	0.5
194.07269	1.4
197.05960	0.8
198.06740	0.8
199.07553	6.3
199.11165	0.9
209.09554	2.0
212.08342	0.8
227.10667	32.5
228.10919	0.7
231.05042	0.9
234.82855	0.4
293.08707	0.4
294.42694	0.4
304.60483	0.4
338.13858	57.2
339.14413	2.0
360.09271	0.5
513.70728	0.4
529.99384	0.4
586.19305	3.0
625.02747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.4
51.02372	0.8
53.03944	0.8
55.01868	1.3
55.05508	0.7
57.03434	3.7
59.04998	0.7
61.02919	0.8
65.03925	0.2
67.05485	0.2
68.99795	0.7
69.03428	15.0
69.38411	1.4
71.01359	0.3
71.04996	0.6
73.02914	1.1
75.04475	0.4
78.03454	2.3
79.05471	0.1
81.03417	6.0
83.01351	0.2
83.04981	2.1
85.02903	15.0
87.00827	3.5
87.04467	4.7
91.03931	0.3
91.05467	0.4
95.04989	0.4
96.04489	100.0
97.02890	10.0
97.03408	0.2
97.04817	0.6
99.04456	2.4
101.02399	0.2
103.03956	0.5
105.01864	3.2
105.07018	0.2
107.04954	0.7
109.02880	7.4
109.40639	0.1
111.04437	1.8
115.03928	5.1
117.01853	0.4
117.07005	0.5
119.04913	1.1
121.06506	0.2
123.04419	0.6
125.02320	0.3
125.06031	0.2
127.03916	9.0
129.01826	0.9
129.05458	1.3
133.04951	3.1
133.06461	0.3
133.35156	0.2
134.07269	1.3
135.08008	0.7
136.07574	2.4
137.06013	0.2
139.03902	0.5
145.04962	3.8
145.06467	0.6
145.67860	0.1
147.02863	0.7
149.04465	0.2
149.05981	0.5
159.02899	2.8
159.04126	0.1
169.04976	0.4
171.02931	0.2
173.06010	0.5
173.08112	0.1
177.02467	0.2
177.03963	0.4
177.05502	0.2
183.02946	0.3
184.05244	0.1
187.06044	0.5
189.03952	0.6
197.04420	0.2
199.58340	0.1
201.05447	2.7
205.04977	0.4
213.03862	1.0
215.05460	0.6
217.07156	0.3
223.06030	0.2
231.02742	0.2
231.04974	2.4
241.07077	0.4
243.10178	3.8
249.06029	0.2
273.06091	0.2
309.05936	0.2
327.07266	0.3
338.13852	19.9
339.14072	0.4
348.03552	0.1
378.62286	0.2
463.52899	0.2
500.19205	0.4
520.79181	0.1
542.20319	0.2
569.28638	0.1
586.19177	7.2
587.19751	0.2
614.36639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	0.2
53.03945	0.6
54.17873	0.2
54.59796	0.2
55.01865	0.5
57.03432	0.5
59.05003	0.2
60.59326	0.2
67.01828	0.2
68.53938	0.2
69.03432	2.4
70.94987	0.5
77.03926	0.3
79.05477	0.5
81.03423	1.8
81.07073	0.3
82.99301	0.2
83.04973	0.4
84.04514	0.5
85.02904	2.7
87.00828	0.8
87.04458	0.4
91.05493	1.4
93.07021	0.3
95.04962	1.4
96.04456	0.3
97.02894	2.0
99.04450	0.7
103.05484	0.2
105.01854	0.6
105.04538	0.3
105.07037	1.7
107.04967	0.4
109.02885	1.5
112.03966	100.0
113.04311	0.5
115.03929	0.8
115.05463	0.5
119.04951	5.9
127.03939	1.8
128.06247	0.6
129.05499	0.3
129.07001	5.5
129.07919	0.4
131.08641	0.2
133.04926	0.3
133.06497	1.6
134.07271	6.7
141.06990	0.9
145.04964	0.9
152.07054	0.7
153.06964	0.3
157.06454	1.0
159.02887	0.8
166.07799	0.2
170.07216	0.5
171.08083	0.2
181.06482	0.3
185.05983	12.9
186.06580	0.3
187.07487	0.2
199.07559	1.2
209.09708	0.4
213.03987	0.3
227.10663	10.8
231.05031	0.5
338.13858	10.4
339.14569	0.2
357.64130	0.2
360.09308	2.9
586.19324	0.4
718.36505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
51.07190	0.3
53.00278	0.4
53.03947	2.1
55.01875	2.6
55.05500	1.2
57.03437	9.3
59.04993	1.1
61.02923	2.1
61.03858	0.3
65.03928	0.4
67.05491	0.8
68.99786	1.5
69.03428	35.2
69.41178	3.2
71.01353	1.2
71.04993	1.1
72.97453	0.3
73.02917	2.6
75.04474	1.2
78.03452	2.2
79.05492	0.6
81.03418	16.3
83.01328	0.4
83.04980	3.7
85.02904	33.9
85.05823	0.3
87.00823	8.2
87.04466	10.1
91.03962	0.7
91.05485	1.5
95.04979	1.1
96.04490	100.0
97.02888	22.6
97.04839	0.7
98.20782	0.7
99.04449	4.6
101.02344	0.8
103.03938	1.2
103.05450	0.4
105.01861	6.6
105.07018	0.6
107.04949	3.0
108.04420	0.3
109.02874	20.3
111.04435	4.4
115.03929	10.0
115.05378	0.4
117.01839	1.0
117.07001	1.0
119.04909	2.6
121.02869	0.7
121.06502	0.6
123.04402	0.7
125.02353	0.7
127.03915	20.5
129.01863	1.7
129.05470	2.8
131.04932	0.6
132.93781	0.3
133.04968	5.9
133.06075	0.3
133.06456	0.5
134.07266	4.0
135.04445	0.4
135.08044	4.9
136.07576	36.3
137.07977	0.4
138.34004	0.4
139.03905	1.1
145.04967	7.2
145.06436	0.9
147.02876	1.2
147.04355	0.3
149.02353	1.1
149.05994	0.5
151.03873	0.7
153.01776	0.3
157.06529	0.5
159.02896	6.2
163.03873	0.4
167.03418	2.8
169.04846	0.6
173.06087	0.8
177.04092	0.4
177.05551	0.9
183.02853	0.5
187.06029	1.0
189.03957	1.2
201.03767	0.7
201.05476	6.5
205.05026	0.8
213.03932	2.3
215.05508	0.9
217.07133	0.4
223.05995	0.7
231.05031	4.0
241.07051	1.3
243.10164	7.6
249.06094	0.7
273.06128	0.9
283.05988	0.9
309.06110	0.6
327.06976	0.7
338.13855	81.9
339.14120	1.3
345.08154	0.6
380.15033	0.6
399.37250	0.3
500.18985	0.9
512.87946	0.3
542.19794	0.5
586.19244	14.9
587.19104	0.4
641.67706	0.4
693.83606	0.4
737.14996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55052	1.1
53.03942	1.4
55.01868	3.0
55.05511	21.5
57.03441	10.0
57.07067	1.7
59.04998	5.2
60.04527	2.0
61.02916	3.1
63.41772	1.2
65.03922	3.4
67.05506	92.0
69.03432	7.5
69.06721	2.0
69.07069	24.6
70.17381	5.0
71.04990	4.8
79.05064	1.5
79.05495	21.3
81.03417	3.9
81.07061	25.3
83.04983	3.5
83.08620	11.6
85.02888	3.3
85.06568	2.9
88.51052	1.2
91.05484	18.5
93.07053	16.8
95.04969	6.5
95.08614	16.1
97.02895	10.0
97.06535	3.1
97.10176	13.5
98.21523	1.4
105.07021	10.4
107.04917	6.2
107.08604	12.8
109.06516	2.6
109.10159	70.2
111.08075	5.2
112.97375	1.2
115.05457	1.2
117.07045	5.8
119.04985	1.7
119.08571	15.1
121.06477	3.2
121.10139	4.6
123.08092	2.9
123.11687	1.6
125.09644	7.8
129.07025	1.9
131.08540	6.6
133.06509	2.8
133.10161	5.7
135.08089	1.8
135.11652	2.9
137.09644	4.9
143.08582	3.5
145.06380	1.2
145.10136	5.3
147.08067	5.2
147.11682	3.3
149.09625	1.9
149.13260	1.3
151.11133	2.5
153.12724	1.1
155.10680	2.7
157.10162	2.3
159.11713	2.1
161.09636	2.6
163.11176	1.7
166.83276	1.3
171.11659	1.2
173.11755	18.6
189.11246	4.7
205.12340	1.5
223.13315	17.8
227.12825	5.9
227.17909	1.2
229.14363	77.0
230.14676	1.9
245.18878	1.9
249.14847	2.5
253.14346	4.0
255.17467	1.4
273.18536	14.6
291.19550	91.4
292.20062	2.7
309.20905	1.8
342.19592	1.3
347.22183	2.0
365.23251	41.5
425.25571	1.6
425.45496	1.3
439.27103	1.7
501.32065	2.8
519.33185	100.0
520.33405	3.7
536.50470	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.7
69.03431	0.9
69.07076	1.1
70.26833	3.4
79.05481	1.5
81.07062	2.0
85.02895	1.2
87.15140	0.7
91.05489	1.0
93.07072	1.3
97.02812	0.7
105.07030	1.1
107.08614	1.3
109.06499	0.8
109.10158	1.0
119.31114	0.7
120.04478	0.8
121.06820	0.7
122.05957	0.9
133.06616	0.7
133.10123	0.9
136.38690	0.6
138.15973	0.7
140.07123	1.0
144.23068	0.6
146.06009	0.7
162.09181	3.5
173.02820	0.7
173.81427	0.7
176.14333	1.5
185.04285	2.3
190.04758	0.8
191.10622	0.6
201.03841	1.1
203.05324	1.8
204.13821	8.9
237.10286	1.1
257.06366	0.9
259.07965	2.2
261.12448	1.2
265.09818	1.5
279.13724	0.8
287.13971	1.8
298.42993	0.7
317.08630	0.7
319.10205	1.0
323.10120	1.7
325.11856	6.5
331.09933	1.3
335.20676	0.7
340.60400	0.7
345.24582	0.7
347.09604	4.1
354.26736	0.7
363.09207	2.1
365.10596	4.4
421.13239	2.3
437.12549	0.9
461.77164	0.9
466.19864	2.7
483.22244	1.6
493.15543	3.7
507.17236	0.9
530.26532	3.0
535.20020	1.1
553.29755	10.2
577.24768	1.5
625.32233	1.8
715.35077	100.0
716.35773	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	711.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
68.99774	0.7
70.84687	0.9
75.00754	0.3
91.05424	0.5
104.25569	0.4
107.04908	0.8
123.04427	4.3
125.48506	0.3
127.03905	0.5
133.06477	0.4
135.04425	5.8
137.05920	0.5
139.03900	3.0
143.04898	0.6
147.04344	1.0
151.03940	0.9
157.06418	0.5
160.05045	1.3
163.03905	4.9
174.69986	0.3
185.05948	1.0
187.03966	0.4
189.05434	1.2
190.06219	1.0
191.07021	3.1
192.07663	0.7
201.05392	0.6
209.05971	0.4
213.05484	1.9
216.04193	0.5
217.04950	5.3
227.07091	0.9
229.04932	1.5
230.05789	1.7
231.06433	0.8
235.02351	1.0
241.04919	0.7
243.06496	2.2
245.04442	1.9
247.02345	0.9
253.04945	1.2
253.08772	0.4
255.06494	1.9
258.05246	6.9
259.06021	100.0
260.06329	1.2
267.06558	1.0
269.04584	0.6
271.05981	9.4
272.06735	0.4
281.08099	1.5
283.05933	4.7
285.03976	1.2
285.07272	0.6
291.06577	0.6
293.08057	0.5
295.06036	2.4
297.07538	0.8
298.04871	0.4
299.05515	10.6
301.07047	2.8
305.08081	0.4
309.07532	9.0
311.05515	4.2
311.08841	0.6
319.05975	1.2
319.09366	0.5
321.07614	1.3
323.05576	3.3
333.07562	1.6
335.09140	0.6
337.07104	6.0
339.08850	0.5
347.05640	1.7
347.09253	0.8
351.08698	1.0
361.07211	1.4
363.08612	0.8
365.06567	14.0
375.08667	2.8
377.06577	1.0
379.08142	14.1
380.08600	0.6
383.07626	0.7
389.06604	3.2
390.06927	0.5
391.07977	2.3
393.09653	4.1
403.08112	2.6
407.07626	27.2
409.09198	1.1
419.07587	3.7
421.09174	27.7
422.09293	0.8
463.18491	0.5
541.11224	6.1
559.12396	7.6
711.17072	29.2
712.17059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48027	1.8
55.01869	4.6
55.05514	16.2
55.41140	1.6
57.03434	8.1
57.07075	3.2
61.02910	3.8
65.03936	3.1
67.05503	41.1
69.03452	1.7
69.07054	9.5
71.04992	4.5
71.08620	4.2
71.59234	2.0
71.59590	1.7
73.02900	2.6
79.05493	22.0
81.03407	7.6
81.07053	38.1
83.04964	6.0
83.08601	8.8
85.02895	9.9
85.06525	3.7
87.46687	1.8
91.03945	3.4
91.05479	19.2
93.07057	23.9
94.40443	1.4
95.04971	6.2
95.08609	22.8
97.02900	4.5
97.06519	6.4
97.10177	4.4
99.08082	3.6
103.17684	1.5
104.90251	1.5
105.07022	15.8
107.04996	4.0
107.08601	17.3
109.06517	4.2
109.10153	24.5
111.08061	2.7
117.07018	3.8
119.08583	8.7
121.06578	1.9
121.10141	8.9
123.08110	1.8
123.11689	3.9
125.09641	5.0
127.03855	2.4
127.89702	1.6
129.06995	2.8
131.08565	4.5
133.06409	2.0
133.10141	9.6
135.11703	9.0
137.09662	2.8
143.08548	2.9
145.10143	2.3
147.11710	6.9
149.13220	3.9
151.11273	2.1
153.77261	1.7
157.10193	2.9
159.11691	4.5
161.13246	3.8
163.11150	4.7
163.14714	2.4
173.11731	4.5
173.13240	3.3
177.12759	2.4
179.14323	6.1
195.13887	3.7
225.05133	1.7
227.12726	2.7
229.14360	12.7
239.28967	1.6
249.22206	2.3
257.13867	2.3
259.58301	1.9
269.17468	8.5
277.21664	15.3
283.15320	2.8
297.16858	3.3
301.16364	3.9
351.25290	100.0
416.48471	1.9
423.27386	4.2
455.29868	2.9
495.29138	4.5
513.30518	8.7
643.97986	2.3
711.35199	4.4
734.15540	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	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29927	3.6
51.60268	3.5
53.03937	4.7
55.01867	8.5
55.05514	27.1
57.03424	16.9
58.27893	4.3
61.02919	9.0
65.03955	4.2
67.05509	99.7
69.03421	7.5
69.07079	22.8
71.04988	13.8
71.08630	10.1
71.58757	4.4
71.59100	4.8
79.05493	45.1
81.03416	17.1
81.06585	5.0
81.07059	93.3
83.04984	13.4
83.08607	23.0
85.02914	18.1
85.06567	8.5
91.03937	7.1
91.05489	46.9
92.85970	3.9
93.07051	52.0
95.04942	6.1
95.08605	33.7
97.02909	11.9
97.06546	10.2
97.10149	12.8
99.08094	10.0
105.07047	27.2
107.04965	4.5
107.08587	28.0
109.06530	9.5
109.10156	35.2
111.08098	12.4
114.41295	3.4
117.07037	9.6
119.08582	16.4
121.10146	21.5
123.08085	5.1
123.11692	10.8
125.09618	8.8
127.03898	5.7
131.08557	16.1
133.10138	22.0
135.11710	16.3
143.08592	4.5
145.10135	9.0
147.04410	4.7
147.11659	9.4
149.13277	20.7
151.11169	7.2
153.12827	4.2
157.10133	5.0
159.11681	10.9
161.13225	10.0
161.74951	3.7
163.11185	8.8
173.11731	12.5
173.13133	4.2
175.11229	4.0
177.12686	5.2
179.14299	16.6
187.13353	7.2
193.12157	4.0
195.13739	9.9
205.12308	3.9
227.12788	6.2
229.14355	23.9
251.66707	3.6
257.04050	4.5
257.13849	6.6
259.20605	7.3
267.15997	9.6
269.17462	37.5
277.21591	13.1
283.15561	4.5
297.16943	6.1
303.01456	3.9
322.84332	3.9
351.25317	100.0
373.65259	3.9
423.27267	8.5
437.28989	15.2
445.28986	4.7
455.29428	6.0
463.30246	24.2
469.31384	9.4
481.31342	9.3
495.29373	12.0
513.30188	8.4
711.33661	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	709.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.2
55.01860	5.1
55.05511	26.0
57.03430	15.1
57.07068	4.0
65.03930	4.7
67.05505	97.1
69.03413	16.1
69.07056	14.2
69.27751	3.3
69.95757	20.0
71.04994	10.6
77.65373	3.3
79.05493	51.8
81.03422	27.4
81.07057	100.0
83.04981	18.7
83.08614	10.4
85.02888	7.2
85.06519	7.9
91.05473	25.1
93.07040	58.0
95.04974	9.9
95.08612	36.9
97.02890	8.1
97.06555	4.8
99.04494	3.7
99.08100	4.3
105.07033	22.8
107.04956	6.0
107.08604	28.8
109.02875	5.9
109.10143	14.9
111.04481	4.2
117.07008	7.1
119.08597	17.1
121.06496	3.7
121.10117	23.5
123.11697	16.3
127.03993	3.8
129.05492	10.0
131.08568	15.3
133.10112	23.3
135.11653	8.6
145.10126	7.0
147.11646	5.7
149.13242	10.9
151.11221	4.9
155.08647	3.8
159.11714	15.5
163.03900	4.8
173.04475	13.9
173.13280	6.3
177.12799	8.2
187.13284	11.1
195.13873	10.2
200.78329	3.7
243.15909	27.4
261.22147	6.2
269.17468	10.0
335.25806	55.8
413.21396	8.0
427.09567	3.6
430.90805	3.8
431.22733	4.0
503.37372	49.6
529.39020	14.0
547.39795	10.4
653.46783	3.5
682.49744	3.7
691.43542	10.4
709.44202	6.7
735.84473	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	708.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05507	7.9
56.96540	1.2
57.03435	10.6
61.02918	1.3
65.03912	2.0
67.05505	33.1
69.03422	2.5
69.07064	8.0
69.29816	12.7
71.04984	6.4
79.05486	21.1
81.03414	43.8
81.07058	39.2
83.04948	4.5
83.08617	16.2
85.02889	3.4
85.06531	2.5
91.05477	17.5
93.07045	23.3
95.04966	16.7
95.08612	11.8
97.02911	1.8
97.06543	5.8
97.10154	2.9
98.20735	2.6
105.07049	10.1
107.04964	3.4
107.08584	14.8
109.06505	2.8
109.10128	4.9
111.04431	1.6
111.08067	8.4
117.07005	4.1
119.08569	9.5
121.06551	2.1
121.10125	11.0
121.39771	1.3
123.11690	2.4
125.09582	2.1
129.06992	6.2
131.08548	8.2
133.06490	2.9
133.10141	10.4
135.08035	1.5
135.11678	5.1
137.09625	1.4
139.11188	1.4
145.10071	2.0
147.04385	3.0
147.07993	1.5
147.11667	5.8
149.09604	3.6
149.13257	12.4
157.10109	8.3
159.11711	6.0
163.11174	1.8
165.12685	2.2
175.07707	1.2
175.11176	6.0
177.12750	3.5
193.12218	14.7
195.13803	3.4
211.13255	4.7
239.66705	1.3
267.15915	52.3
269.17468	62.1
275.20084	3.2
285.16925	2.2
301.20081	2.3
349.23767	10.5
361.23615	1.3
367.24698	1.5
369.24280	1.6
435.27222	5.7
443.27798	2.2
453.28476	9.8
461.28970	100.0
462.29153	3.8
479.30276	9.5
503.29974	1.6
511.33060	11.9
725.05890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01881	1.1
55.05503	1.2
57.03434	1.8
65.03961	0.4
67.05506	1.8
69.03430	6.4
69.07063	0.7
70.07178	1.5
71.04990	0.4
75.04473	0.4
77.03945	0.4
79.05494	5.1
81.03424	3.6
81.07063	1.5
83.04967	1.4
83.08590	0.6
85.02908	6.1
87.00850	1.8
87.04475	1.5
91.05487	1.7
93.07054	1.3
95.04957	1.8
95.08631	0.7
97.02892	6.3
97.06506	0.5
99.04460	0.8
103.05447	0.8
105.01846	2.9
105.07034	3.7
107.04957	2.8
107.08559	0.7
109.02882	2.7
109.06522	0.6
111.04453	1.0
115.03934	2.2
115.05445	0.3
119.08572	0.8
121.06500	1.5
123.04438	1.5
123.11752	0.4
127.03940	3.3
129.05502	0.5
131.08551	0.6
133.04970	1.2
133.06487	9.9
133.09215	0.3
133.10149	0.6
135.04416	67.1
139.03957	0.5
145.04990	1.2
145.10237	0.4
147.04436	0.5
147.11722	0.5
149.05972	1.2
150.07607	0.7
153.05417	0.4
157.10161	0.5
159.02907	0.8
159.04318	0.7
163.11221	0.5
165.05473	0.9
173.09666	0.4
175.03925	0.6
175.11256	0.4
177.05440	2.1
191.10674	100.0
192.11041	1.3
193.12305	0.7
201.05431	0.8
201.60338	0.3
211.13281	0.9
213.05630	0.7
227.12827	0.4
229.14404	0.4
229.65327	0.4
231.06694	0.7
233.11778	1.0
243.06554	0.7
255.10182	2.0
257.11823	0.4
267.15808	1.0
283.15329	0.7
285.17032	0.8
311.16269	0.6
323.14899	3.7
323.39801	0.4
327.06995	0.6
345.08148	0.6
421.14984	0.4
475.26929	0.5
493.27878	0.9
511.28766	1.1
673.30853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02769	0.3
53.03931	1.4
55.01871	1.7
55.05495	1.5
57.03436	3.3
59.04989	0.4
60.04519	0.5
61.02926	2.0
65.03924	0.5
67.05500	1.7
68.99773	0.9
69.03426	14.9
69.07039	1.2
69.46407	3.1
71.01340	0.4
71.05000	0.7
73.02931	1.7
75.04451	0.5
77.03920	0.4
79.05493	4.6
81.03417	7.9
81.07040	2.2
83.01311	0.5
83.04980	3.0
83.08591	0.6
85.02901	18.3
87.00830	6.1
87.04469	6.9
91.03951	0.5
91.05486	2.4
93.07034	1.8
93.46696	0.3
93.76598	0.3
95.04952	3.1
95.08594	1.3
97.02888	17.2
97.06496	0.4
99.04453	3.0
99.08054	0.4
103.03931	0.6
103.05438	1.0
105.01859	7.0
105.07024	6.4
107.04939	5.3
107.08585	1.2
109.02876	5.3
109.06474	0.4
111.04433	1.8
111.08035	0.4
115.03156	0.5
115.03922	5.5
115.05475	0.5
117.01818	0.7
117.06993	0.7
118.06551	0.8
119.04965	0.7
119.08553	1.0
121.02837	0.3
121.06501	4.5
121.10129	0.5
123.04436	3.6
123.08105	0.4
125.02382	0.5
125.09612	0.4
127.03915	10.0
129.01843	1.0
129.05484	1.0
129.06958	0.5
129.90511	0.3
131.04916	1.0
131.07393	0.5
131.08623	0.5
132.08076	0.6
133.05014	3.1
133.06487	23.2
135.04408	78.4
135.11703	0.7
136.04750	1.3
137.05968	1.2
139.03902	1.0
141.09081	0.5
144.08023	0.5
145.04958	3.8
145.06094	0.5
145.06470	0.5
145.10114	0.8
146.09651	0.8
147.02980	0.6
147.04404	3.4
147.08017	0.5
149.05965	3.0
149.09657	0.4
150.07619	2.4
151.03911	0.7
153.05374	0.4
153.09117	0.4
157.10091	0.4
159.02904	2.8
159.04404	1.3
159.08005	0.6
160.11290	0.5
161.05994	1.5
163.03810	0.5
163.11179	0.8
165.05463	2.4
173.05962	1.2
175.03932	1.6
175.07591	0.7
177.03976	0.4
177.05449	8.2
183.02979	0.6
187.07544	1.4
189.03917	0.5
189.05511	0.8
189.09126	1.2
191.10661	100.0
192.11021	2.0
193.12294	0.6
201.03763	0.6
201.05464	5.5
203.06981	0.7
205.04959	1.3
207.06819	0.4
213.03841	0.8
213.05659	0.7
215.05269	0.5
215.07098	0.8
215.10567	1.8
218.64130	0.4
219.06525	0.5
223.06026	0.6
227.12714	0.8
228.17410	0.4
229.14346	0.4
231.04814	2.0
231.06923	0.5
233.11731	3.8
239.10760	0.4
241.07133	1.3
243.06534	7.0
249.06078	0.7
255.10179	15.8
256.17010	0.6
257.11768	3.6
266.08875	0.4
267.15955	2.1
275.12778	0.4
279.10294	1.1
281.11749	0.5
283.15421	1.5
287.12750	0.7
297.11325	1.5
299.12936	1.1
309.06073	0.4
311.16357	2.3
321.11240	0.5
323.14886	12.8
324.15134	0.8
324.26956	0.7
327.07196	1.5
340.26416	1.1
345.08182	1.2
347.07648	0.8
347.15045	0.5
365.08542	2.2
365.16049	0.9
367.10330	0.4
368.25766	3.8
383.09961	1.1
386.26920	3.6
387.14566	0.7
403.13809	1.7
404.28030	0.8
411.77182	0.4
421.14957	3.4
439.15961	2.4
442.29694	0.8
460.30426	4.0
475.27222	1.9
490.31784	1.1
493.27985	0.4
511.28867	0.5
518.92871	0.5
546.34271	2.7
553.19281	1.1
571.20721	1.1
700.02789	0.4
708.39526	22.5
709.27020	0.4
709.39502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01876	5.7
55.05496	1.3
57.03425	3.2
58.99589	1.7
61.02905	2.0
63.20946	1.1
63.51870	1.0
65.03928	1.7
67.01866	1.2
67.05493	3.2
68.99780	2.3
69.03429	11.5
69.07063	6.3
69.72717	7.0
70.02970	1.6
71.04997	1.4
73.02911	2.5
74.00670	1.4
77.19072	1.1
79.05486	9.2
79.25551	1.1
81.03420	12.6
81.07053	2.9
81.19055	1.1
83.04971	1.4
83.08614	1.2
85.02898	14.4
86.06059	1.7
87.00829	5.5
88.03979	4.6
91.05487	4.0
93.07047	2.4
95.04960	7.2
97.02884	8.3
99.02651	2.4
99.04434	2.6
103.05457	1.9
105.01867	2.7
105.07024	28.0
107.04951	64.1
107.08560	1.5
109.02869	8.4
109.06487	1.9
111.02660	2.4
111.04459	1.4
114.62693	1.3
115.03928	1.4
115.05447	2.0
117.01843	1.3
117.07032	1.8
119.04916	1.3
119.08602	2.3
120.01165	3.1
120.05701	5.0
121.02864	1.4
121.06490	3.0
123.04399	2.3
127.02148	4.0
127.03911	8.8
129.01788	1.0
129.06956	1.6
129.91931	1.0
131.04906	2.0
131.08578	1.3
133.06487	86.7
135.08078	1.3
136.03938	1.1
137.05959	3.0
139.02135	3.3
139.03853	7.5
141.00079	3.6
141.03665	1.6
145.04941	3.0
145.06433	1.6
147.04353	1.5
147.08067	2.7
149.00539	1.7
149.05951	1.2
150.03647	1.9
151.03902	2.8
151.07600	1.3
152.99974	1.2
153.05457	29.1
154.03125	1.3
155.01605	13.3
157.06564	1.5
159.02853	2.9
159.08069	2.5
161.05956	1.6
162.61108	1.0
163.02097	1.3
163.03940	3.2
163.07590	1.8
165.00089	2.2
165.05499	14.5
165.09125	1.5
166.00816	1.1
166.03294	1.3
166.06261	17.0
167.01604	8.3
167.07074	1.6
167.71803	1.2
169.03197	12.1
171.01128	2.0
175.07542	1.4
177.04053	1.2
177.05482	6.9
177.09111	3.9
178.03232	9.5
179.01648	2.1
180.04803	1.4
181.03180	5.4
181.08702	1.6
183.01109	74.9
185.02670	17.8
187.07503	1.6
189.09038	1.8
191.05270	1.6
191.06972	3.6
191.10687	3.6
193.03230	1.4
194.00354	2.6
194.02687	6.2
195.01112	100.0
196.01627	1.4
197.02679	35.0
199.04286	2.7
201.09067	1.7
204.07774	1.2
205.08672	5.9
206.02715	28.9
206.09329	1.5
207.10248	2.4
208.04228	5.6
209.02666	23.4
209.06195	2.0
211.07845	1.4
212.03711	1.4
218.09279	1.7
219.04764	2.4
219.10152	20.6
220.10956	3.0
221.02689	2.9
221.11662	2.2
222.12498	28.1
223.04234	1.8
223.07735	3.3
225.09401	2.0
226.05315	10.5
231.10210	1.2
233.06281	2.8
235.04318	1.4
237.02283	2.1
239.07358	16.0
240.03227	9.6
249.09433	1.5
251.07350	52.2
252.03238	27.6
252.05649	2.2
253.08986	7.6
255.03108	9.4
261.05807	2.1
262.08978	5.0
263.07330	4.3
264.10724	1.7
265.08884	6.0
266.04858	2.2
272.05856	60.6
277.08871	2.7
283.09674	4.8
284.05807	7.3
284.10388	2.9
285.11221	1.4
290.08466	5.1
293.08420	1.8
296.09427	2.6
301.05301	1.6
303.06863	4.4
308.09476	8.5
311.09445	2.7
315.06863	21.8
316.07712	1.2
317.08490	4.8
328.12097	38.6
339.10379	2.1
339.15860	5.2
340.12112	43.6
340.16629	8.8
345.70724	1.2
371.08395	2.1
371.13101	34.9
372.09009	5.0
373.14459	2.6
375.08548	1.3
382.13165	2.6
383.13162	1.4
392.11612	18.4
404.11676	28.6
460.17963	28.9
467.10004	3.9
511.29282	2.0
523.21204	1.2
576.17328	8.0
587.15930	3.0
621.29962	1.1
708.23047	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	707.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97427	0.5
69.03407	0.7
71.28398	1.3
81.03376	0.6
82.99870	1.1
85.02877	1.6
97.02907	0.8
97.49760	0.5
98.97598	0.7
101.00860	2.5
109.40432	0.5
116.98604	0.6
119.01916	12.3
119.31128	0.5
121.37021	0.5
127.02406	0.8
127.03883	1.0
131.01898	4.2
133.03500	0.6
137.02000	0.8
137.02943	2.7
143.01894	10.3
145.03452	7.2
147.01350	1.1
149.02916	1.2
155.01883	6.2
157.03453	4.5
158.99594	0.5
161.02950	20.2
163.04449	0.6
167.01875	4.2
169.03453	2.3
171.05020	2.8
173.02962	17.4
175.04524	1.4
177.02556	0.7
179.01874	2.1
181.03419	0.8
185.02948	34.1
186.03117	0.5
187.04517	4.6
189.06047	0.5
191.04073	1.2
196.04611	0.5
197.02965	15.3
197.04779	0.9
199.04523	1.0
201.57848	0.5
203.03990	11.3
208.04517	0.9
209.02850	1.2
215.04010	10.8
221.05042	1.3
221.22527	0.6
227.03964	7.0
238.05493	0.7
239.03923	0.6
245.05063	100.0
246.05222	2.3
257.05045	4.8
263.06143	13.3
274.06155	0.6
275.06070	11.3
283.06671	1.5
284.06635	0.8
286.07608	0.8
293.07153	3.6
305.07108	10.6
335.08160	3.5
337.92590	0.5
347.08182	0.8
364.09454	1.0
365.09286	41.4
383.10440	4.8
425.11368	30.1
426.11658	0.6
437.11426	1.6
449.78311	0.5
455.12372	1.4
523.13336	0.6
693.57611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30383	2.4
53.03940	13.2
55.01870	6.3
55.05312	2.4
55.05511	29.8
57.03428	8.7
57.07066	3.6
62.02355	2.5
65.03957	5.4
67.05505	100.0
69.03430	26.5
69.07072	16.7
69.89466	9.5
69.89878	6.3
71.04990	55.0
73.66991	2.8
79.05494	65.0
81.03416	45.4
81.07060	85.5
83.04998	14.3
83.08611	11.7
85.02882	5.4
85.06550	10.1
87.04475	4.9
89.06046	3.9
91.05482	69.4
93.07046	63.5
95.04964	20.3
95.08601	44.7
97.02884	10.8
97.06520	8.7
97.10168	3.2
99.04439	7.8
99.08096	3.2
100.66938	2.9
105.07034	47.7
107.04944	4.6
107.08593	34.9
109.02853	11.2
109.06548	4.5
109.10148	15.5
111.04432	3.4
111.08095	6.1
115.05388	2.8
117.06997	17.2
119.08562	20.3
121.10144	25.1
123.08067	4.6
123.11746	14.8
125.09613	3.8
127.03907	9.1
129.06949	7.7
131.08571	24.2
133.10159	31.2
134.07384	2.9
135.11726	14.3
136.80717	2.8
141.07066	3.2
143.08569	5.1
143.74841	2.9
145.10120	10.4
147.08051	4.2
147.11693	9.0
149.09610	3.0
149.13249	17.1
151.11183	12.9
155.08559	3.6
159.11720	13.5
161.09578	3.6
161.13251	4.4
173.04488	14.2
173.13240	5.6
175.11174	4.2
177.12791	7.4
183.11710	4.4
183.13779	9.4
185.13332	4.3
187.13335	12.7
195.13777	5.9
201.14804	4.3
201.17026	2.8
243.20921	2.9
257.17410	5.4
261.22046	4.4
269.17618	4.8
275.20105	6.6
297.00357	2.6
339.17996	7.1
349.27505	6.6
369.24298	4.5
387.25024	4.0
395.20480	3.2
427.23517	4.9
443.27512	3.7
461.28833	5.1
473.01880	3.1
517.38739	8.6
561.41107	3.7
608.26733	15.2
655.42578	3.9
673.43237	7.9
705.34540	4.0
705.45801	40.1
732.97034	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.01871	13.8
55.05513	28.7
57.03435	13.2
59.04984	3.9
59.20300	2.1
61.02920	3.1
65.03932	7.1
67.05503	78.1
69.03431	24.3
69.07070	26.5
71.04977	9.5
71.59283	3.4
73.02937	4.0
79.05492	74.5
79.05961	3.8
79.07088	2.1
81.03413	49.5
81.07055	100.0
83.04982	22.6
83.08614	13.8
85.02893	9.8
85.06529	5.1
91.05478	72.0
93.07040	68.0
95.04959	23.8
95.08607	41.6
97.02897	23.3
97.06532	16.7
97.10160	4.5
99.04430	7.6
99.08075	3.3
103.05476	2.1
105.04538	2.2
105.07034	52.2
106.33205	2.3
107.04957	15.5
107.08601	37.1
109.02866	15.8
109.06490	12.3
109.10165	15.8
111.04430	8.2
111.08070	6.6
115.05395	4.2
117.07027	24.4
119.04946	5.4
119.08575	34.0
121.06518	12.1
121.10140	25.9
123.04446	7.3
123.08050	8.0
123.11673	6.8
125.09639	5.9
127.03924	13.4
128.06201	3.3
129.05455	4.7
129.06995	16.3
131.04922	3.8
131.08565	30.4
133.06500	22.4
133.10112	28.4
135.04390	2.7
135.08031	7.8
135.11668	15.7
137.06007	3.2
137.09587	4.1
139.11166	2.7
141.06949	5.3
143.08548	11.8
145.06520	5.6
145.10112	24.0
147.04408	98.4
147.08035	6.9
147.11678	18.3
149.05981	2.3
149.09613	11.7
149.13243	15.5
151.11186	5.7
153.12738	4.7
155.08521	5.8
157.06477	3.2
157.10106	10.1
158.11348	2.4
159.08011	5.1
159.11690	19.8
161.09586	4.5
161.13217	6.1
163.11235	12.6
165.12724	4.3
167.08488	3.3
169.10162	4.8
171.11662	9.9
173.04459	9.3
173.09543	4.1
173.13170	5.4
175.07512	2.9
175.11171	4.0
177.12733	4.4
179.14325	5.7
181.10072	4.1
183.11671	6.4
185.13310	3.9
187.07549	4.6
187.11298	4.0
189.11227	2.7
191.10587	4.9
193.10364	2.3
193.12158	4.7
195.11742	3.2
195.13780	4.9
197.13176	5.2
209.11661	5.5
209.13441	2.9
211.13246	2.7
223.85519	2.1
227.12782	7.1
239.18077	3.1
247.20663	3.9
257.08096	15.8
257.18942	3.7
267.10080	2.6
267.16022	3.9
269.08047	11.8
269.17499	12.2
275.20029	36.6
277.21698	3.7
293.21231	3.7
301.21768	2.7
349.23730	9.1
393.20380	3.3
413.21484	3.3
433.30768	2.6
443.14795	3.8
451.32205	3.1
463.30600	3.9
469.33026	2.9
515.36926	2.5
525.35492	11.9
543.36835	32.3
585.36902	2.4
669.40527	2.7
687.40247	9.3
705.41821	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	703.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.05788	1.0
67.05498	4.5
68.65976	0.7
69.07072	1.7
71.14470	1.8
72.08157	12.6
73.40632	0.7
79.05491	3.1
81.03410	3.0
81.07077	3.7
83.04990	0.8
85.02914	1.1
91.05457	4.3
93.07072	3.6
95.04980	1.2
95.08602	2.1
105.07033	2.8
107.08585	1.4
109.02837	0.9
109.10138	0.9
117.07013	1.0
119.08595	1.6
121.10161	1.8
127.53352	0.7
131.08582	1.7
133.10144	0.8
135.11653	1.1
145.10139	1.6
147.04456	1.1
147.08118	0.8
147.11717	1.0
175.72778	0.8
179.33852	0.7
184.07462	0.8
219.14986	1.7
231.10948	0.8
241.13100	6.0
289.70987	0.8
300.82727	0.9
333.20343	3.1
334.20679	3.9
335.21918	100.0
336.22284	2.7
391.19940	9.9
400.81625	0.9
449.28925	1.0
475.30298	1.5
541.35187	1.2
616.37573	0.8
703.39746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.5
55.01875	3.7
55.05509	51.7
57.03433	12.4
57.07073	8.7
57.68248	2.9
59.04992	2.7
61.02938	3.9
67.05509	56.5
69.03428	8.6
69.07073	15.8
69.57092	21.6
71.08613	2.7
79.05487	33.2
81.03416	4.9
81.07059	45.9
83.04978	3.0
83.08622	28.5
85.02902	5.8
85.10195	4.1
89.06049	3.2
91.05473	15.7
92.23450	3.1
93.07047	36.8
95.04967	7.0
95.08609	31.4
97.02873	4.1
97.10174	60.7
105.07028	9.5
107.08591	35.8
109.10154	21.5
111.08084	5.5
112.85208	3.0
117.07002	5.5
119.08551	9.2
121.06456	4.0
121.10143	13.5
123.11665	4.2
125.09633	60.7
131.08543	5.7
133.10118	7.0
135.08054	5.5
135.11674	7.9
145.10075	3.5
149.13219	6.0
153.09195	4.2
163.14824	4.9
171.10245	3.1
173.13271	4.5
189.11215	52.4
227.12798	79.0
227.20050	14.6
243.21132	4.7
245.13852	100.0
261.22165	27.2
335.25836	67.9
336.25943	4.5
403.52365	3.6
450.01807	3.2
467.37680	5.2
468.37668	9.8
487.34073	7.1
501.05035	2.9
505.35248	37.0
627.24158	3.5
670.25720	3.5
702.28149	7.5
702.48547	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	702.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
53.29208	0.7
55.01859	2.5
55.05508	25.7
57.03438	6.9
57.07071	13.3
61.02916	1.7
62.52151	0.8
64.17470	0.7
65.03914	1.5
67.05502	29.6
69.03419	2.9
69.07055	7.4
69.33289	4.3
69.33726	4.7
71.08625	6.1
73.02916	1.6
79.05492	16.2
81.03410	2.3
81.07052	25.5
83.04981	2.3
83.08619	16.5
85.02872	1.2
85.06522	1.2
85.10173	2.9
87.04454	2.0
89.06029	18.9
91.05476	7.3
93.07040	17.0
95.04974	2.4
95.08602	16.5
95.09169	1.3
97.02931	1.6
97.06513	1.5
97.10162	28.1
105.07011	6.0
107.07056	1.6
107.08587	12.1
109.10146	11.0
110.10503	0.9
111.08054	1.1
117.07017	2.0
119.08588	3.2
121.06512	1.2
121.10143	6.5
123.11726	2.5
125.09624	24.8
131.08574	3.0
133.08617	9.5
133.10139	3.3
135.08044	2.7
135.11676	5.1
143.10680	1.1
145.10141	1.8
147.11691	1.4
149.13312	2.0
153.09103	1.0
159.11681	2.4
161.84090	0.8
163.14835	1.0
171.10165	1.3
173.13200	2.1
177.11186	2.8
189.11206	17.4
199.24823	0.9
220.98369	0.8
221.34486	0.8
227.12778	27.6
227.20044	100.0
228.20248	0.8
230.15375	1.2
243.21182	2.7
245.13844	33.6
256.41751	0.9
261.22116	9.8
271.22742	1.6
299.33398	0.9
313.27408	1.5
314.27640	1.1
317.24725	2.0
335.25760	32.1
336.26450	1.0
380.14526	0.8
467.37604	1.3
468.37750	2.2
480.37766	0.9
487.34235	2.2
505.35248	21.2
702.47546	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	702.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01863	5.4
55.05497	4.7
57.03436	19.4
59.04994	2.8
59.99111	6.6
61.02908	4.1
65.03941	1.1
67.05474	1.2
68.99783	3.7
69.03429	79.7
69.46349	10.4
71.01337	2.1
71.04983	3.0
73.02898	5.2
73.06548	5.7
75.04457	3.5
79.05477	3.5
81.03418	21.1
83.04977	8.5
85.02905	79.0
85.07680	1.9
86.06050	5.3
87.00833	19.5
87.04466	22.1
91.03940	1.4
95.04943	3.7
97.02887	59.3
98.21469	1.8
99.04455	13.7
102.99624	1.6
103.03929	2.6
103.75574	1.1
105.01866	28.5
106.06554	100.0
109.02878	24.0
111.04443	7.4
115.03168	2.1
115.03931	33.9
116.30674	1.1
117.01844	3.1
125.02393	1.2
127.03915	45.8
127.08629	1.9
129.01782	2.3
129.05467	9.6
129.38324	1.3
132.04790	21.4
133.04964	19.6
134.06006	8.6
139.03923	2.5
145.05008	29.0
151.03867	1.5
157.13356	6.2
159.02916	12.8
169.04977	1.6
177.04079	1.5
177.05490	3.7
187.06085	1.2
189.03963	3.4
191.11819	5.7
193.98225	1.2
196.09592	1.4
201.23878	1.4
205.05029	1.9
205.06964	1.4
208.05331	6.1
213.03963	7.9
215.05440	3.7
217.07021	2.6
217.10063	5.6
217.11925	3.6
223.05977	1.9
231.04996	31.3
241.07103	5.5
249.06039	13.0
250.10051	8.0
273.05930	3.6
280.11118	5.7
294.86487	1.3
309.06046	2.6
327.07108	5.7
333.12912	3.5
345.08203	10.7
363.09256	2.8
380.10052	9.8
393.09579	3.0
405.18597	1.3
409.42114	1.2
465.15268	6.5
493.23810	1.4
537.22888	2.4
597.19501	5.1
702.24908	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	701.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.6
67.69393	0.7
70.06585	1.3
71.07193	1.4
71.07518	1.3
72.08157	22.3
79.05479	2.5
81.03393	1.1
81.07047	2.0
91.05472	2.2
93.07049	2.1
95.04955	1.4
96.18462	0.8
105.07012	1.8
108.93188	1.0
121.06481	1.1
170.05771	1.7
204.13972	0.8
219.14842	5.1
241.09282	1.1
241.13124	12.8
277.08994	1.2
285.34998	0.9
333.20364	100.0
334.20776	2.5
335.13669	1.3
351.20053	3.0
391.19904	24.1
392.20096	1.6
507.27884	0.8
620.25946	1.2
645.33392	1.6
693.35321	1.0
701.35736	4.1
701.47791	1.2
712.13507	1.0
718.33539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.0
57.03439	2.2
57.07076	40.4
61.02923	14.9
67.05499	14.0
69.03436	2.5
69.07080	9.2
70.12183	7.6
71.08289	2.2
71.08637	28.9
73.02901	6.1
75.04463	2.6
79.93101	1.7
81.07057	18.9
83.08615	11.4
85.02904	17.5
85.10178	14.7
91.03959	15.1
95.08611	23.1
97.02900	7.8
97.10175	9.4
99.23128	1.8
109.10146	13.0
110.39727	1.5
111.11704	5.6
115.03926	1.8
123.11662	5.8
127.03915	6.5
133.66743	1.7
137.13286	1.9
142.28906	1.5
143.35435	1.6
145.04964	8.6
163.06047	10.8
182.31613	1.7
187.74457	1.5
257.94913	1.6
267.26822	30.9
285.27780	2.5
341.30515	100.0
342.30731	2.6
359.31522	23.5
700.44568	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.05510	28.5
57.03434	9.2
57.07071	16.9
61.02925	25.1
65.03940	2.5
67.05505	37.7
69.06685	2.3
69.07063	45.7
71.04988	2.1
71.08607	13.9
71.84617	2.3
73.02908	12.3
79.05495	20.8
81.03384	2.5
81.07055	42.9
83.08615	39.5
85.02900	25.7
85.06548	3.4
85.10178	7.0
88.41084	2.2
91.03946	31.1
91.05474	6.5
92.42091	2.1
93.07040	25.6
95.08603	50.7
97.02885	13.8
97.06548	9.0
97.10170	25.8
99.04431	3.8
99.08135	3.1
105.07001	2.3
107.08597	19.4
109.10166	24.4
111.08118	5.7
111.11701	10.4
121.10140	41.7
123.11736	7.9
125.09619	4.3
125.13295	3.0
127.03927	8.6
135.11693	29.5
136.06166	6.4
137.13300	2.8
139.11176	2.7
145.04926	11.6
149.13268	15.2
150.23488	2.5
151.14877	6.1
163.06023	16.6
163.14835	5.0
165.16414	3.5
177.16393	2.4
187.81027	2.2
225.60320	2.2
247.24223	31.9
248.01340	2.5
262.25381	6.5
265.25253	86.9
266.25674	3.3
283.26239	18.0
296.09830	2.2
339.28946	100.0
340.29260	5.3
350.51202	2.6
357.29959	40.0
501.34402	3.7
610.68976	2.7
623.06268	2.2
633.41467	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	698.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52063	1.7
53.03948	3.7
55.01866	2.3
55.05509	29.4
57.03434	5.5
57.07074	23.1
58.88876	1.9
59.11696	1.9
61.02927	35.8
65.88685	1.8
67.05167	3.4
67.05505	40.9
69.03442	4.4
69.07066	47.6
69.83208	11.6
71.04990	4.1
71.08629	11.2
73.02927	11.9
75.04465	3.0
79.05484	24.9
81.07056	47.3
83.04961	1.9
83.08617	43.5
83.87483	2.0
85.02898	37.6
85.06518	4.0
85.10178	5.7
91.03963	29.1
91.05440	3.8
93.07047	28.7
95.08607	49.3
97.02898	15.5
97.06534	9.5
97.10168	24.9
99.04488	2.2
100.62542	2.0
105.07001	4.3
107.08592	21.9
109.10153	26.3
109.98469	2.2
111.08073	5.5
111.11707	7.5
115.03942	1.8
118.45454	1.8
119.08529	2.0
121.10141	40.6
123.11755	9.0
124.37672	2.0
125.13268	1.8
127.03905	7.6
131.41608	2.0
135.11694	34.9
139.11177	3.7
145.04939	9.3
149.13246	14.5
150.08960	1.8
151.14812	5.3
153.12761	3.3
157.97964	1.8
163.05975	22.4
163.14842	6.6
165.16380	6.0
177.16391	2.6
211.06531	1.9
215.40385	1.8
230.15260	2.9
233.13115	1.9
247.24211	37.9
262.25342	9.0
265.25272	100.0
283.26273	17.9
339.28928	74.4
357.30002	42.6
501.34671	2.6
518.48639	2.4
533.72839	1.9
604.00146	2.3
678.37341	2.3
698.44171	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40849	0.9
51.73198	0.8
53.03937	1.5
55.01860	1.6
55.05498	1.5
56.92490	0.9
57.03426	2.8
61.02934	6.5
67.05505	14.5
69.03424	4.1
69.07053	2.4
71.32508	1.8
73.02908	5.2
79.05485	3.4
81.03414	2.6
81.07072	6.4
83.08611	2.5
83.76270	0.8
85.02911	6.0
91.03947	3.7
91.05472	3.4
93.07036	3.9
95.04939	1.0
95.08584	2.6
97.02898	6.6
99.04475	2.2
101.02371	3.6
107.04941	1.0
107.08606	1.8
109.10143	9.3
119.08585	2.1
121.10153	1.8
123.04209	1.0
127.03912	2.5
145.04961	1.2
149.13220	1.1
165.05449	1.1
167.02257	1.0
173.11742	3.8
181.04828	1.2
185.04211	3.5
195.13861	1.2
201.03764	1.1
215.07407	0.9
221.11534	2.5
229.14354	2.1
243.08476	2.3
252.03357	0.9
301.08994	5.9
306.78604	0.9
315.10413	3.2
338.44922	0.9
358.16486	3.3
358.66669	3.6
371.16534	2.4
373.11099	2.5
385.18304	2.6
413.17853	20.0
425.21356	3.1
429.17401	1.5
453.20828	5.8
463.26920	1.1
469.20325	1.5
484.22943	2.1
485.20035	7.8
499.21555	3.3
541.25989	3.9
553.29932	2.3
567.31427	20.8
568.31744	1.2
596.31818	5.2
597.31244	1.2
623.34491	1.3
625.31934	100.0
626.32129	3.6
628.30737	4.6
651.33313	8.3
653.34607	1.5
697.33984	25.4
698.34705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.0
57.03429	11.7
57.07066	9.0
61.02918	29.6
62.12743	6.8
67.05503	79.3
69.07059	21.9
69.91788	36.9
72.48360	5.5
73.02911	9.8
78.86697	5.5
79.05492	24.8
81.07057	88.0
83.08609	27.4
84.10088	5.8
85.02901	39.3
91.03954	26.6
91.05478	17.1
93.07040	26.2
95.04955	6.6
95.08614	79.7
97.02880	16.6
97.10180	12.6
105.07021	14.1
107.08587	22.3
109.10171	43.1
110.87829	6.0
119.08562	10.3
121.10134	25.2
123.11700	18.2
127.03933	9.6
133.10150	19.5
135.11636	18.2
137.13283	9.8
145.04921	10.9
147.11766	14.5
149.13257	11.1
149.21709	7.1
161.13312	15.3
163.06010	19.9
163.14775	16.8
165.16351	7.9
175.14792	14.2
203.43463	6.6
207.17188	5.7
234.94180	6.9
245.22684	84.3
263.23663	100.0
337.27338	59.1
349.80371	6.2
451.57156	6.3
598.06067	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	697.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65345	0.3
53.03941	0.5
55.01862	0.6
57.03437	0.7
61.02922	0.7
66.09563	0.3
68.99797	0.8
69.03431	3.1
69.04376	0.3
70.85571	0.8
70.85913	0.5
71.04964	0.4
71.45316	0.4
73.02911	0.7
79.01832	0.6
81.03418	4.3
85.02913	6.3
87.00820	1.1
89.59629	0.4
97.02904	2.6
99.04458	1.3
105.01848	0.4
106.71475	0.4
109.02875	2.0
114.65698	0.4
121.02885	0.6
123.04423	0.7
127.03930	3.8
129.01892	0.4
131.69376	0.4
133.10120	0.4
135.04402	2.0
137.02332	6.9
139.03822	0.4
145.04955	0.9
149.02342	0.6
153.01811	1.1
159.02899	0.5
161.02368	1.3
163.03874	1.4
165.01813	1.5
165.05479	0.6
167.03413	1.6
171.02855	0.7
175.04054	0.4
177.01804	1.0
177.05440	0.6
178.04924	0.4
179.03471	0.6
181.01329	0.4
183.02890	1.9
191.03362	0.5
195.02925	2.9
197.00952	0.4
203.03368	0.5
213.05493	0.4
217.04933	1.3
226.06139	0.5
227.07091	0.6
229.04980	1.1
231.04889	0.5
241.05057	0.5
243.02852	0.4
243.06505	0.9
244.07108	0.5
245.04430	0.6
247.05988	0.6
257.04404	0.4
258.05365	0.5
259.06049	2.1
261.03970	1.0
268.48788	0.3
271.06137	2.0
272.06812	4.2
283.06052	1.7
284.06732	0.9
286.04666	1.0
287.05493	17.5
295.05872	0.8
297.07550	0.7
299.05493	25.8
300.06268	21.4
301.06995	2.3
311.01862	0.7
311.05493	15.4
313.07037	5.4
323.05490	1.3
324.06256	1.2
325.07019	4.7
327.04974	1.3
329.06543	100.0
330.06915	1.2
339.04819	1.0
339.08630	5.0
341.06439	2.4
343.08365	0.5
353.06546	15.1
359.07480	1.9
365.06558	1.3
367.08139	2.0
371.07535	1.1
383.07642	3.4
395.07559	3.4
413.08661	7.0
417.41434	0.4
431.09766	15.8
449.10797	38.0
491.11649	1.0
533.12769	1.5
559.10577	0.4
577.11853	12.4
611.15784	4.4
679.14929	0.5
697.16290	3.9
702.71722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48123	0.9
53.03940	2.2
55.01866	1.9
55.05512	16.3
57.03437	7.3
57.07067	4.1
61.02929	29.9
61.91984	0.8
65.03931	2.4
66.71858	0.8
67.05507	80.9
68.05881	0.8
69.03426	4.9
69.07069	16.8
70.07416	0.9
70.30723	2.0
70.95834	0.8
71.04976	2.6
71.08617	1.4
72.69396	0.9
73.02918	8.3
75.04480	1.4
79.05495	45.3
81.03412	2.2
81.07059	85.9
82.07376	1.3
83.05010	1.7
83.08613	7.1
85.02905	30.1
85.06527	3.1
91.03402	1.8
91.03960	26.7
91.05482	23.5
93.07048	60.0
95.04965	3.8
95.08608	71.2
96.08911	1.1
97.02888	15.2
97.06507	3.8
97.10166	3.7
99.04416	2.0
99.08100	2.9
105.07033	19.1
107.08596	38.8
109.02858	1.6
109.06535	1.4
109.10158	39.7
111.08091	2.6
113.09685	1.6
115.03934	1.9
117.07041	9.0
119.08577	15.7
121.10145	37.1
123.08032	1.3
123.11707	18.2
125.09618	1.6
127.03930	8.7
131.08574	20.1
133.10147	14.4
135.11699	25.8
137.09619	2.2
137.13251	8.0
139.11179	1.8
145.04970	12.0
145.10123	16.0
147.11703	13.5
149.09682	1.3
149.12056	1.1
149.13251	22.8
151.11162	2.7
151.14824	2.4
153.12756	2.0
159.11694	12.5
161.13234	10.8
163.06017	14.2
163.11172	1.0
163.14833	14.1
165.12744	2.9
173.13268	17.1
175.14761	4.4
177.12827	1.1
177.16417	6.8
179.14314	2.5
187.14856	9.3
189.16422	1.6
191.14313	2.8
201.16380	3.1
205.15874	2.9
215.17981	2.1
219.17360	1.5
229.14273	1.0
233.22687	3.1
243.21088	35.6
261.22144	100.0
262.22552	3.6
263.23715	1.7
279.23166	4.1
317.24673	2.2
335.25830	29.7
337.32474	1.0
339.24869	1.0
353.26871	41.8
354.27118	1.1
418.52454	0.9
497.30981	5.8
581.30768	1.0
638.27838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01869	2.7
55.05510	1.7
67.05504	1.2
68.99806	1.0
69.03436	5.8
69.07069	2.1
69.48264	0.8
69.50677	7.4
73.02916	2.0
79.05498	3.9
79.96370	0.9
81.03420	6.5
81.07059	1.5
81.90041	0.8
85.02901	10.0
87.00844	3.1
88.03981	1.1
91.05435	1.0
93.03368	1.1
93.07018	1.0
95.04964	3.4
95.08624	1.3
97.02896	3.3
99.04473	2.3
100.02219	1.8
103.05488	1.0
105.01889	2.2
105.07043	7.5
107.04957	100.0
107.08584	1.3
108.05275	1.0
109.02872	5.6
117.06985	1.2
119.04967	1.6
121.06527	1.2
123.04451	1.4
125.02451	1.0
127.03931	4.7
131.04948	5.0
133.06494	22.7
133.07455	1.8
133.10139	1.0
135.04433	1.0
139.03891	1.6
141.00055	1.0
145.05028	1.8
146.02731	2.9
147.04463	1.6
151.03889	1.9
153.00060	1.9
155.01640	1.8
159.02893	1.5
163.03905	4.3
163.07594	0.9
168.99623	2.2
170.09680	0.9
171.01186	1.6
175.03934	2.1
177.05463	1.5
178.03206	2.3
183.01146	3.6
191.07074	2.5
192.07816	1.8
193.08530	1.7
195.01100	5.9
204.07684	0.9
205.08627	6.1
206.02704	5.3
206.09348	5.4
207.01167	1.3
207.04828	1.1
207.10258	1.8
208.10980	2.5
219.10106	1.5
225.05817	5.0
229.08656	1.0
231.10127	2.6
237.05824	6.7
237.08192	0.9
239.07414	10.3
240.03281	1.7
241.05016	1.1
241.08614	2.7
251.07309	3.9
252.03256	9.7
257.08093	1.5
258.04303	3.9
269.08075	7.8
270.04376	2.4
296.09415	1.6
297.11197	3.1
301.05301	1.5
303.06827	1.4
308.09576	3.5
314.10516	5.4
316.11996	1.1
325.14346	27.9
326.10596	17.0
327.73499	0.9
357.11557	17.3
378.09982	1.6
390.10028	8.3
428.15228	1.0
446.16464	7.3
537.27863	0.9
574.15759	1.9
637.25812	1.1
694.20770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28593	10.2
71.27306	10.6
71.59463	21.7
74.32494	13.6
84.06446	10.6
88.41373	12.6
138.52409	10.6
158.43398	12.8
166.49036	10.1
455.43488	11.7
459.21738	26.3
476.21548	14.3
499.18481	12.1
522.21521	12.2
595.25482	14.6
605.23492	15.8
606.27972	40.8
607.24524	15.2
609.27887	15.9
622.27942	100.0
637.26721	17.7
638.27094	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	693.418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20483	0.9
55.05518	1.6
57.03435	1.6
61.02917	3.8
65.53131	0.9
67.05503	7.4
68.12980	0.8
69.03418	2.3
69.07061	1.2
73.02906	4.2
75.26330	1.0
79.05501	1.8
81.03422	1.7
81.07066	5.0
85.02892	5.0
91.03953	2.9
91.05477	1.9
93.07048	1.6
95.08606	3.7
97.02895	3.4
101.02393	1.9
109.10155	7.9
120.66705	0.9
127.03941	2.0
128.86407	0.9
134.56371	1.0
173.11736	2.1
243.08478	1.6
321.47754	1.1
376.69266	1.1
413.17651	10.3
460.52527	1.1
521.30768	5.1
693.41785	100.0
694.42041	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	693.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19137	0.7
55.05508	1.1
57.03421	2.5
57.07083	0.8
61.02912	4.7
67.05511	6.6
69.03415	3.1
69.07056	2.3
69.36301	7.4
73.02929	4.0
79.05492	1.4
81.03413	1.7
81.07050	5.9
83.08586	1.1
85.02901	4.4
88.08551	1.0
91.03955	2.3
91.05478	1.4
93.07046	1.7
95.08612	2.6
96.36166	0.7
97.02901	3.6
98.21460	1.4
99.04476	0.8
101.02339	1.5
107.08602	1.2
109.10146	3.7
147.11612	0.8
243.08484	2.0
351.73569	1.0
413.17664	4.0
521.30927	9.3
693.41766	100.0
694.41821	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	693.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01854	7.0
55.05511	27.8
57.03438	14.9
57.07064	3.9
61.02924	39.2
66.56548	2.2
67.05505	49.6
69.03426	22.0
69.07064	18.9
69.64141	17.9
70.87699	2.1
71.01356	2.4
71.04989	6.8
71.08639	19.7
73.02899	10.9
79.05497	29.1
81.03424	31.5
81.06590	3.6
81.07054	43.2
83.04968	12.9
83.08624	20.9
85.02903	43.6
85.06536	2.7
91.03961	18.2
91.05482	26.8
93.07041	34.7
94.07320	2.3
95.04972	18.6
95.08614	21.9
97.02892	39.6
97.06503	5.7
97.09723	2.1
97.10187	22.2
97.93908	2.1
99.04430	4.9
99.08099	16.0
101.02395	2.3
101.26392	2.7
103.03960	3.3
105.07029	19.4
107.08595	25.9
109.02865	9.8
109.06537	3.2
109.10156	15.6
111.08082	4.8
117.07015	9.5
119.08580	14.4
121.06490	3.7
121.10122	11.9
123.08002	3.6
125.09656	16.9
127.03914	18.1
129.05484	2.8
129.06999	5.1
131.08560	7.8
133.10152	13.4
135.08031	4.9
135.11649	11.6
137.05951	3.2
137.09618	3.4
143.08611	4.3
145.04926	9.7
145.10114	5.9
147.11678	11.4
149.13249	9.6
151.11209	22.2
157.10155	3.3
159.11679	6.6
161.13255	8.7
163.06004	4.4
163.11157	7.4
165.12785	5.2
171.11671	4.7
173.11705	7.8
175.11182	4.2
175.14812	2.9
177.05585	2.4
177.12749	6.5
179.14297	9.0
183.06543	3.2
189.11221	18.2
189.12703	4.4
193.12138	3.6
195.13838	5.9
211.13272	2.8
213.14897	3.4
216.23383	2.5
217.19493	4.1
227.12743	23.2
229.14487	3.5
241.19485	3.0
245.13863	19.7
253.17978	6.7
259.20615	6.7
267.15872	4.1
269.17450	28.0
277.21637	35.9
285.17032	3.2
290.41760	2.5
295.22385	2.5
297.17133	3.1
301.21579	3.4
335.18353	2.7
336.68506	2.4
351.25293	100.0
351.29620	5.4
352.25266	4.2
369.26437	17.2
389.18137	3.4
393.26114	5.7
413.21710	4.5
432.51120	2.7
462.29681	2.9
467.50430	2.9
477.28030	3.1
478.28708	5.3
479.87115	2.7
495.29449	3.1
496.29785	8.0
513.30695	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	693.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01854	7.0
55.05511	27.8
57.03438	14.9
57.07064	3.9
61.02924	39.2
66.56548	2.2
67.05505	49.6
69.03426	22.0
69.07064	18.9
69.64141	17.9
70.87699	2.1
71.01356	2.4
71.04989	6.8
71.08639	19.7
73.02899	10.9
79.05497	29.1
81.03424	31.5
81.06590	3.6
81.07054	43.2
83.04968	12.9
83.08624	20.9
85.02903	43.6
85.06536	2.7
91.03961	18.2
91.05482	26.8
93.07041	34.7
94.07320	2.3
95.04972	18.6
95.08614	21.9
97.02892	39.6
97.06503	5.7
97.09723	2.1
97.10187	22.2
97.93908	2.1
99.04430	4.9
99.08099	16.0
101.02395	2.3
101.26392	2.7
103.03960	3.3
105.07029	19.4
107.08595	25.9
109.02865	9.8
109.06537	3.2
109.10156	15.6
111.08082	4.8
117.07015	9.5
119.08580	14.4
121.06490	3.7
121.10122	11.9
123.08002	3.6
125.09656	16.9
127.03914	18.1
129.05484	2.8
129.06999	5.1
131.08560	7.8
133.10152	13.4
135.08031	4.9
135.11649	11.6
137.05951	3.2
137.09618	3.4
143.08611	4.3
145.04926	9.7
145.10114	5.9
147.11678	11.4
149.13249	9.6
151.11209	22.2
157.10155	3.3
159.11679	6.6
161.13255	8.7
163.06004	4.4
163.11157	7.4
165.12785	5.2
171.11671	4.7
173.11705	7.8
175.11182	4.2
175.14812	2.9
177.05585	2.4
177.12749	6.5
179.14297	9.0
183.06543	3.2
189.11221	18.2
189.12703	4.4
193.12138	3.6
195.13838	5.9
211.13272	2.8
213.14897	3.4
216.23383	2.5
217.19493	4.1
227.12743	23.2
229.14487	3.5
241.19485	3.0
245.13863	19.7
253.17978	6.7
259.20615	6.7
267.15872	4.1
269.17450	28.0
277.21637	35.9
285.17032	3.2
290.41760	2.5
295.22385	2.5
297.17133	3.1
301.21579	3.4
335.18353	2.7
336.68506	2.4
351.25293	100.0
351.29620	5.4
352.25266	4.2
369.26437	17.2
389.18137	3.4
393.26114	5.7
413.21710	4.5
432.51120	2.7
462.29681	2.9
467.50430	2.9
477.28030	3.1
478.28708	5.3
479.87115	2.7
495.29449	3.1
496.29785	8.0
513.30695	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	693.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.6
55.05499	18.0
57.03426	13.4
61.02918	10.2
64.28687	3.9
65.69073	4.0
67.05508	38.8
69.07052	12.7
71.05019	4.1
71.08630	12.7
79.05489	33.0
81.03403	15.5
81.07058	45.8
82.07383	4.5
83.04974	10.9
83.08620	13.4
84.84596	3.6
85.02928	5.2
85.06493	4.1
86.92603	4.0
87.04459	4.6
91.05492	24.7
93.07052	39.2
94.07373	5.0
95.04947	10.9
95.08601	32.0
97.02907	8.6
97.06519	7.6
97.10139	5.0
98.20631	5.6
99.08112	11.9
105.07008	12.6
107.04959	13.1
107.08570	23.9
108.08936	4.4
109.06559	5.6
109.10151	16.3
111.08057	4.3
117.07013	9.4
119.08572	18.6
121.06541	5.0
121.10115	21.5
123.08098	4.2
125.05953	3.8
125.09672	5.4
131.08553	7.1
133.10135	12.7
135.11714	15.4
137.09639	6.9
145.10075	9.4
147.04404	9.2
147.08104	5.0
147.11725	8.8
148.61035	4.2
149.05879	4.9
149.13213	6.5
151.11139	6.9
161.13278	5.4
163.11182	11.8
165.05580	4.1
177.12741	8.6
179.14299	28.3
188.40211	4.1
265.14337	4.3
269.17450	7.5
270.17792	4.9
277.21594	18.4
281.07925	4.5
301.16434	5.1
351.25290	100.0
366.48715	5.0
460.27774	7.0
477.28946	4.3
478.28726	25.0
495.29303	8.4
496.29947	29.5
538.11737	4.1
622.32996	8.4
640.34088	5.5
693.24048	10.0
693.35785	20.8
721.89679	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	692.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
53.29360	1.2
55.01867	4.1
55.05513	22.3
57.03434	14.0
57.07064	1.6
59.04998	2.7
61.02916	5.9
63.69869	1.2
65.03933	2.7
67.05503	92.6
69.03428	3.8
69.07065	21.0
69.92461	3.6
69.92854	3.6
71.04985	16.4
73.02904	3.5
79.05492	42.1
81.03419	8.0
81.07057	100.0
83.04973	6.8
83.08620	14.6
85.02906	10.0
85.06535	8.0
87.04482	2.4
87.26511	1.4
91.03992	2.7
91.05478	29.9
93.07042	46.8
95.04971	7.6
95.08621	18.0
97.02885	5.5
97.06531	10.0
97.10172	8.6
97.52587	1.6
99.04468	1.4
99.08085	1.7
105.07027	10.4
106.59065	1.6
107.04942	4.0
107.08597	29.3
109.06522	3.5
109.09454	2.5
109.10158	30.1
111.08081	5.4
117.07001	8.5
119.08575	6.9
121.06477	2.5
121.10145	15.7
123.08054	1.4
123.11706	11.2
125.08855	1.4
125.09614	8.5
128.88516	1.4
129.05518	2.5
129.06955	2.0
131.08578	9.5
133.10126	16.2
135.08046	2.9
135.11674	10.1
137.09634	2.4
145.10124	3.3
147.11696	2.0
149.13277	23.2
151.11185	4.3
155.10648	1.4
159.11662	9.5
163.11209	3.3
167.14368	1.7
173.11742	10.2
177.12758	4.8
187.13332	2.2
195.13788	12.3
195.73569	1.4
199.13220	2.7
209.11774	2.8
211.13226	1.6
213.14919	1.7
225.14932	2.9
227.12794	3.6
229.14352	29.3
239.16576	1.9
251.16234	1.7
267.15805	2.9
269.17484	51.0
283.15451	3.0
301.16461	7.3
301.19507	7.4
402.01837	1.7
411.27490	2.9
423.27405	21.3
434.11102	1.6
437.28967	37.7
451.30426	8.3
463.30530	90.6
464.30927	1.8
495.32965	20.4
513.30493	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94381	1.9
53.03944	4.1
55.01860	8.6
55.05265	2.3
55.05513	33.6
56.37028	1.7
56.70072	1.7
57.03430	20.9
57.07066	2.8
59.05001	3.6
61.02927	5.8
65.03934	2.8
67.05505	100.0
69.03423	5.0
69.07072	17.5
70.20374	5.9
71.01370	1.9
71.04984	6.4
73.02912	7.0
78.93920	1.5
79.05495	43.0
81.03419	13.7
81.07056	83.7
83.04980	10.4
83.08609	25.7
85.02903	17.3
85.06543	5.5
87.04475	4.7
91.03941	3.1
91.05489	28.3
93.07047	39.7
95.04955	8.0
95.08607	26.6
97.02903	8.4
97.06525	11.6
97.10157	16.0
98.20859	2.1
99.08093	2.8
103.03970	2.6
104.99319	1.6
105.07034	11.0
107.04960	4.4
107.08593	27.2
109.06512	3.4
109.10159	54.9
111.04442	1.7
111.08080	7.5
117.07011	10.7
119.08583	12.1
121.06476	2.1
121.10135	11.0
123.08055	2.6
123.11692	3.5
125.09631	17.5
127.03922	3.2
129.05479	5.8
131.08568	9.9
133.10138	16.2
135.08057	2.8
135.11682	13.9
137.09618	4.1
143.10732	4.3
145.10123	5.6
147.08109	1.9
147.11688	4.7
149.09662	2.3
149.13258	12.1
151.11223	2.3
153.12688	4.7
155.10638	3.7
157.10168	2.2
159.11691	9.6
159.41429	1.6
163.11168	7.8
165.12781	2.1
173.11743	23.9
175.11197	2.9
177.12750	7.2
181.12267	3.0
185.11736	2.2
191.10736	4.0
193.12187	5.2
195.13789	22.7
195.68156	1.6
199.13277	7.8
209.11719	9.0
211.13322	2.2
213.15012	2.7
222.55363	1.8
227.12823	8.5
229.12076	3.1
229.14355	65.7
239.16518	4.4
257.13809	4.0
267.15881	8.8
269.17477	76.3
283.15378	5.2
297.16919	3.1
301.16461	18.4
346.77686	1.7
358.80188	2.0
393.26303	3.0
411.27509	6.5
423.27383	40.3
431.28171	2.4
477.28253	3.0
495.29544	62.7
513.30621	29.3
626.16010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43494	1.1
53.03945	4.8
55.01871	6.9
55.05513	35.3
57.03435	20.2
57.07075	2.4
59.04993	4.8
61.02935	6.4
65.03938	3.3
67.05505	100.0
69.03426	5.3
69.07069	17.6
69.84827	3.5
69.85240	3.7
71.01363	2.0
71.04996	6.0
73.02914	5.0
75.69935	1.3
79.05495	37.7
81.03412	13.3
81.07056	76.3
83.04991	8.4
83.08619	21.3
85.02907	16.4
85.06536	6.5
87.04451	3.4
91.03941	1.7
91.05478	31.4
93.07045	44.9
95.04969	10.1
95.08607	22.5
97.02890	7.7
97.06542	8.8
97.10168	12.3
98.21451	1.8
99.04462	1.5
99.08090	2.5
103.03948	2.2
105.07038	11.4
105.89242	1.2
107.04955	4.3
107.08598	28.1
109.06518	4.4
109.10159	46.1
111.04452	3.3
111.08069	6.2
115.51726	1.1
117.06986	7.8
119.08578	8.3
121.06519	1.7
121.10151	12.0
123.08053	3.2
123.11721	4.8
125.09633	13.0
128.04193	1.4
129.05495	4.5
129.06993	2.4
131.08575	12.7
133.10127	13.8
135.08032	2.9
135.11693	11.6
136.78690	1.2
137.09602	2.4
143.10667	2.1
143.81267	1.2
145.10115	4.2
147.08040	1.5
147.11708	3.2
148.12518	1.2
149.09631	3.2
149.13264	15.3
151.11182	3.2
153.12781	2.6
155.10689	2.2
159.11700	6.9
163.11203	8.8
165.12769	1.5
171.11752	1.3
173.09694	1.9
173.10085	1.9
173.11722	16.1
175.11194	2.2
177.12735	5.9
181.12273	2.2
191.10669	2.3
193.12259	2.9
195.13799	15.5
199.13362	5.9
209.11603	7.8
211.13358	2.1
213.14813	2.3
227.12804	7.9
229.14362	49.9
239.16466	1.7
257.13898	1.7
267.15930	4.9
269.17487	62.3
283.15436	2.7
297.17090	1.5
301.16486	16.5
301.19928	1.4
393.26303	2.2
411.27499	4.3
423.27460	32.3
424.27551	1.2
431.27585	1.5
437.28928	8.0
463.30695	12.1
477.28085	1.5
495.29120	31.4
513.30554	15.3
539.07874	1.4
593.73267	1.4
688.88037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01872	7.5
55.05510	40.1
57.03432	18.2
57.07072	3.2
59.04999	4.6
61.02926	8.6
65.03931	3.3
67.05503	100.0
69.03423	4.8
69.07070	19.3
71.01344	1.2
71.04999	7.7
73.02916	7.3
76.60581	1.4
79.05488	44.0
81.03422	18.0
81.07055	76.0
83.01365	1.4
83.04973	9.8
83.08614	21.4
85.02901	19.3
85.06528	4.4
86.57425	1.3
87.04475	7.1
91.03947	2.3
91.05476	29.6
93.07040	39.0
93.07636	2.2
95.04975	11.2
95.08047	2.1
95.08607	23.5
95.09167	1.9
97.02893	7.3
97.06519	11.9
97.10177	17.2
98.16642	1.0
98.21549	1.6
103.03998	1.3
105.07027	13.6
107.04955	4.0
107.08598	28.8
109.06503	4.2
109.10154	53.7
111.04459	2.4
111.08075	7.0
116.04745	1.4
117.07028	8.1
119.04825	1.2
119.08573	10.0
121.06502	2.7
121.10138	12.5
123.08067	2.4
123.11707	4.0
125.09625	16.6
127.03905	2.1
127.11188	1.3
129.05495	5.0
129.07048	2.3
131.08563	8.4
133.10115	13.7
135.08031	2.4
135.11696	9.4
137.09598	2.3
143.06955	1.2
143.10692	3.4
145.10138	4.0
147.08046	2.7
147.11674	3.9
149.09578	2.2
149.13277	12.7
151.11189	2.0
153.12706	4.2
155.10678	2.6
157.10123	2.3
159.11681	9.1
163.11172	8.2
165.12793	3.4
173.09636	2.4
173.11736	20.8
175.11171	1.5
177.12762	4.3
181.12239	3.3
191.10684	3.1
193.12233	4.7
195.13791	15.2
199.13281	8.1
203.06900	1.3
209.11717	8.1
211.13242	3.0
213.14862	2.8
227.12733	9.2
229.14348	54.1
239.16481	4.2
257.13788	2.1
265.14169	1.5
267.15985	8.7
269.17474	59.8
270.18298	1.4
283.15427	5.0
297.17050	1.9
301.16434	18.3
323.18539	1.2
393.25769	1.4
411.27417	4.5
423.27411	34.7
477.28293	1.7
495.29526	55.2
496.30093	1.6
513.30652	21.1
514.30670	1.3
614.13147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.6
55.05503	2.1
57.03431	2.1
59.04962	0.5
61.02928	5.9
64.21398	0.6
65.03938	0.5
65.67101	0.5
66.56288	0.5
67.05503	12.5
69.03424	3.1
69.07058	1.9
70.85483	1.4
71.04983	1.1
73.02917	3.1
73.59330	0.5
79.05489	3.8
81.03432	4.4
81.07049	6.5
83.08615	1.3
85.02906	5.3
91.03954	3.4
91.05488	2.6
92.94499	0.6
93.07048	4.0
95.04983	1.4
95.08608	3.6
97.02902	5.2
97.06546	0.8
99.04456	0.8
99.39616	0.5
101.02370	2.2
105.07024	1.9
107.08582	1.4
109.02880	1.2
109.06507	0.6
109.10155	6.5
117.07038	1.1
119.08582	1.9
121.10136	1.6
127.03931	1.5
131.08545	1.7
133.10133	1.6
135.11708	1.5
145.10118	0.7
145.55215	0.5
147.11699	1.1
160.84601	0.5
163.03914	0.7
185.35190	0.6
191.38293	0.6
193.12283	0.9
211.13422	0.9
243.08423	1.2
311.50134	0.5
335.25888	0.7
342.99954	0.5
353.24921	0.6
413.17786	5.3
519.29376	11.2
613.32599	0.6
651.83331	0.6
691.40253	100.0
692.40955	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	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20855	0.8
53.03944	1.4
54.13096	1.0
55.05508	2.4
57.03426	2.8
61.02932	5.6
66.37587	0.8
67.05502	13.8
67.97314	0.8
69.03418	4.0
69.07063	2.4
70.84302	0.7
71.04989	2.3
71.59795	1.2
72.15747	0.8
73.02919	4.0
79.05479	4.7
81.03426	4.5
81.07053	6.5
83.04993	1.6
85.02905	5.5
91.03947	2.8
91.05500	3.9
93.07043	4.0
95.04950	2.6
95.08601	4.2
97.02890	5.5
99.04473	1.9
101.02364	2.1
105.07044	2.5
107.08614	2.7
108.78328	0.9
109.02908	1.8
109.10159	9.2
115.03881	0.9
117.07024	0.9
119.08598	3.0
121.10117	1.7
127.03897	1.4
131.08620	1.8
133.10130	1.1
135.11697	1.5
145.10143	1.8
173.11795	1.4
180.09000	0.8
181.10243	0.8
211.13312	0.9
222.12479	0.9
229.14284	1.7
243.08636	1.4
350.56647	0.9
413.17767	9.7
519.29163	3.8
529.38647	1.1
691.40228	100.0
692.40839	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	691.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.2
55.01874	19.1
55.05506	41.7
57.03442	20.3
60.00195	4.1
61.02934	44.6
61.95082	3.5
67.05506	65.8
69.03421	33.7
69.07076	28.1
71.04972	4.5
71.59581	5.6
71.59942	5.0
73.02914	20.1
79.05495	57.2
81.03424	23.5
81.07050	59.7
83.04988	18.4
83.08631	22.2
85.02906	64.2
85.06534	7.5
91.03957	32.2
91.05485	43.3
93.07044	50.0
94.42973	5.0
95.04978	19.1
95.08599	34.1
97.02888	51.4
97.06532	34.6
97.10165	27.0
99.04450	14.0
103.03990	4.3
105.07017	39.2
107.04967	25.1
107.08595	50.9
109.02891	18.5
109.06538	15.2
109.10167	31.3
111.08077	4.5
117.07024	12.0
119.04968	5.0
119.08583	33.7
121.06525	7.2
121.10143	17.2
123.04397	7.7
123.11749	6.6
125.09614	23.4
126.53127	4.4
127.03919	28.6
129.07016	6.8
131.08519	20.7
133.06526	12.1
133.10147	29.5
135.04417	15.5
135.08029	7.6
135.11729	8.4
137.05994	8.6
137.09633	5.3
143.08574	7.6
145.04990	12.4
145.10124	18.2
147.08093	6.5
147.11713	22.4
149.09607	22.7
149.13278	6.2
151.07497	6.3
151.11160	4.2
157.10135	7.8
159.11717	13.5
161.09550	4.9
161.13216	6.0
163.06033	8.6
163.11148	11.8
165.05421	5.1
165.09137	7.6
167.07018	6.5
171.10176	9.1
171.11636	6.0
173.11783	7.5
173.13208	10.6
175.11232	5.9
177.05405	4.7
177.12654	5.3
179.14304	9.0
189.11217	29.2
191.10652	20.2
227.12724	28.1
229.14333	10.3
239.17957	7.8
245.13770	22.5
247.20906	5.2
253.18028	10.4
257.19131	13.5
267.16003	7.6
269.17456	16.7
275.20059	56.9
293.21277	6.0
309.73206	4.5
325.59058	4.3
349.23721	100.0
367.24945	38.7
383.75677	4.5
391.24908	7.3
407.80521	4.3
459.26266	4.1
493.27963	8.2
511.28333	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	691.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78181	0.6
54.08004	0.5
54.57851	0.5
55.05456	0.8
55.20123	0.4
55.28181	0.5
56.96565	26.1
56.96824	1.8
57.03401	0.8
61.02882	1.2
67.05446	1.6
67.66374	0.5
67.79945	0.6
69.03382	1.6
69.07041	0.9
69.47822	1.1
69.48225	3.4
71.95203	1.9
72.96045	0.5
73.02868	0.7
74.97596	0.6
79.05431	1.7
81.03369	1.1
81.06996	2.3
83.04967	0.6
84.79552	0.5
84.95981	0.6
85.02838	1.3
91.05402	1.5
93.06976	1.6
95.04933	0.7
95.08549	1.8
97.02823	1.1
97.96738	0.6
98.97553	0.8
101.52394	0.6
103.00667	0.6
105.06988	1.2
107.04869	0.9
107.08530	1.7
109.10073	0.8
110.97536	0.8
115.00648	1.2
116.98600	0.9
117.06943	0.6
119.08533	1.1
121.01663	0.8
121.06404	0.5
123.01114	0.8
125.09545	0.5
127.00652	0.6
127.03872	0.9
128.98535	1.6
131.00186	0.6
131.08548	0.8
133.01669	1.5
133.10027	0.8
139.00584	0.5
139.02705	0.5
141.02188	0.6
145.01691	0.9
145.10062	0.6
146.99640	3.7
147.03246	0.6
149.01163	0.6
149.09467	0.6
153.02167	0.6
155.03745	1.1
157.01706	1.3
159.03273	1.0
161.01175	0.8
165.00743	0.8
167.03691	1.4
168.46701	0.5
169.01665	0.8
169.05266	0.8
171.03279	4.1
173.04796	2.0
175.02835	0.8
177.04330	0.8
179.03638	0.5
181.05334	1.0
183.03177	1.9
183.06856	1.0
185.04854	2.5
187.02727	1.1
187.06381	1.1
189.04344	8.0
191.05757	1.0
193.03807	0.9
193.05424	0.7
193.12207	0.6
195.06926	0.8
197.04883	2.9
199.02724	0.8
199.06416	9.9
201.04286	1.8
201.07880	0.7
203.05832	3.5
205.05396	0.9
209.04781	1.5
211.02856	0.6
211.06366	1.9
213.04317	0.6
213.07964	6.7
215.05858	3.1
217.05446	1.1
217.07451	18.2
219.08968	0.8
221.04805	0.6
223.02888	0.6
223.06395	4.4
225.07907	0.9
227.05910	4.4
227.09424	0.8
229.03891	0.6
229.07446	5.9
231.09044	8.3
235.06384	1.7
237.07932	2.2
239.05937	1.0
239.09283	0.7
240.03139	0.5
240.06709	0.6
240.08981	0.9
241.07460	26.2
243.08971	2.2
245.06967	3.8
247.08479	4.5
249.04111	0.6
249.07948	1.1
251.05862	0.5
251.09520	1.8
252.09129	0.6
253.07487	8.1
255.09056	7.1
259.08542	39.5
261.10052	1.4
264.09079	1.4
267.09021	4.5
269.10687	3.6
271.08502	5.7
273.10098	4.3
276.08936	0.6
277.09534	8.0
278.08081	0.8
278.10770	0.7
282.10187	3.5
283.08484	1.1
285.10114	2.6
287.11618	1.1
289.09485	0.9
291.19342	0.7
292.12488	0.9
293.20374	0.7
296.09351	0.9
303.16251	0.8
313.09811	0.8
313.13147	0.8
319.15933	0.8
321.17401	2.0
323.15231	0.5
329.14218	10.5
337.16806	1.6
343.12961	0.6
347.15286	48.3
348.15622	1.0
365.16348	100.0
366.16635	2.1
370.16827	2.4
371.17798	0.5
383.17404	70.5
384.17755	1.7
388.17810	5.1
401.18503	3.6
406.18982	15.0
407.19287	1.1
459.27155	0.5
477.28690	0.6
673.35870	2.6
691.37274	27.5
692.37732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.7
54.98335	4.6
55.01866	22.4
55.05510	27.8
57.03438	23.3
57.68795	4.7
61.02927	61.6
67.05505	76.4
67.28514	5.0
69.03424	40.8
69.07068	38.0
69.45033	13.0
69.45436	33.0
71.04990	10.2
73.02918	20.0
75.68689	4.9
79.05483	61.3
81.03419	39.3
81.07054	87.7
83.04984	15.7
83.08615	21.1
85.02902	89.7
85.06535	7.3
87.04446	11.6
91.03960	36.8
91.05482	48.7
93.07034	54.0
95.04978	16.0
95.08603	35.6
97.02892	59.5
97.06554	26.4
97.10181	27.4
98.21550	11.0
99.04450	10.3
103.03982	6.1
105.07026	50.2
107.04971	19.0
107.08585	59.6
107.10427	5.2
109.02891	14.9
109.06541	10.6
109.10149	33.1
109.26654	4.8
109.70064	5.1
111.08099	11.7
115.03913	6.4
117.07047	17.2
119.08566	43.2
121.06475	8.8
121.10141	20.7
123.04416	6.6
123.08038	6.3
123.11704	13.8
125.09624	25.2
127.03895	27.7
129.07022	13.6
131.04829	5.6
131.08591	23.2
133.06508	6.0
133.10133	40.7
135.04425	8.9
135.08057	8.1
135.11725	11.7
137.05994	6.8
143.08569	6.3
145.04967	12.3
145.10141	20.1
147.11714	16.9
149.02361	27.7
149.09607	15.6
149.13278	9.8
151.11183	13.3
157.10153	12.8
159.11751	12.1
161.13264	5.9
163.11139	10.0
165.05521	5.0
165.09129	5.0
165.12746	5.9
169.10092	5.8
171.10258	6.2
171.11734	5.7
173.11874	8.1
173.13243	10.5
177.12791	13.6
179.14339	8.9
183.06482	6.4
189.11227	22.5
191.10689	5.9
191.14365	4.8
193.12157	8.4
205.08623	7.1
227.12836	26.5
229.14400	15.3
232.43201	5.2
239.17825	7.8
245.13850	16.3
253.18022	9.2
257.19067	13.4
267.15793	4.9
269.17401	40.2
271.15549	6.3
275.20050	60.5
275.22852	7.4
293.21121	9.8
299.20340	5.8
317.13000	5.8
349.23740	100.0
367.24744	39.1
391.24643	6.1
413.21857	8.0
511.29013	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	690.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01860	2.3
55.05505	0.9
57.03432	6.2
58.07892	0.6
59.04999	100.0
61.02924	1.5
67.30167	0.6
69.03427	6.8
69.07092	0.8
70.06596	1.0
71.04984	0.9
71.08979	1.1
71.09309	1.2
73.02923	1.5
80.58413	0.8
81.03422	8.4
81.07074	1.8
83.05000	1.3
85.02901	15.3
87.00836	4.6
87.04482	1.2
87.49214	0.8
91.03925	1.0
91.05492	1.3
93.06998	1.2
95.05006	1.0
97.02882	4.6
97.06549	1.2
99.04456	2.7
99.08134	2.2
101.09660	2.1
105.01827	3.5
105.07027	1.0
107.08599	0.9
109.02865	7.4
109.03478	0.8
111.04498	0.9
115.07592	2.2
117.09127	42.6
119.08576	0.9
121.06540	0.8
123.04460	0.8
127.03907	9.7
127.04656	0.8
131.04927	0.9
135.10181	1.3
137.06035	1.2
145.04990	3.4
145.10107	0.9
158.11700	0.8
159.02893	3.7
159.11772	1.0
167.07089	2.2
173.09766	0.7
175.13292	21.2
175.14685	1.4
193.14397	1.7
231.05055	1.7
233.17453	8.9
251.18581	3.5
267.16046	0.9
289.09134	0.8
291.21738	1.0
309.22903	1.4
348.22458	0.9
358.06390	1.0
367.26807	1.1
425.31064	10.4
425.36105	1.0
509.11639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01865	4.5
55.05513	6.1
57.03187	1.2
57.03439	7.0
61.02933	5.7
65.03912	1.4
67.05505	10.5
68.99760	1.2
69.03072	2.2
69.03426	26.5
69.07076	5.7
71.58831	1.7
73.02909	3.0
79.05489	10.3
81.03429	10.2
81.07059	10.3
83.04982	5.6
83.08632	2.2
83.35011	1.3
85.02902	27.9
87.00840	6.5
87.04458	5.9
91.03943	3.8
91.05481	6.6
93.07035	8.8
95.04966	5.2
95.08601	5.5
97.02888	23.1
97.06515	4.6
97.10161	3.4
99.04442	4.3
103.05494	1.3
105.01891	7.6
105.07029	12.8
107.04944	4.4
107.08596	7.5
109.02894	6.4
109.06506	2.7
109.10146	4.5
111.04424	2.3
115.03925	6.8
117.07020	1.9
119.08557	4.9
121.06487	2.0
121.10161	2.5
123.04456	3.5
123.08123	1.5
123.11687	2.3
124.99807	1.4
125.09618	2.8
127.03922	18.4
129.05458	3.0
131.04947	2.2
131.08588	2.8
133.04935	3.0
133.06494	25.8
133.10143	2.4
135.04420	59.2
135.08067	1.7
135.11659	1.4
139.99127	1.2
145.04926	4.0
145.06409	1.2
145.10110	3.6
147.04385	3.7
147.11652	2.2
149.05980	2.5
149.09637	2.4
159.02905	3.1
159.04378	1.8
159.11674	1.8
161.06023	3.0
161.13327	1.3
163.03894	1.6
167.06992	1.9
173.13205	1.2
175.03888	2.4
175.07648	1.3
177.05478	5.1
181.12148	1.2
189.11214	1.4
191.10669	100.0
192.11043	1.4
195.13907	1.6
197.06117	1.2
203.06952	1.4
207.06494	1.3
213.03879	1.7
215.05519	1.5
215.10654	3.6
219.06612	1.6
227.12674	2.5
229.14262	2.0
231.06693	2.4
233.11804	4.0
239.45209	1.4
241.07124	1.3
245.13770	1.4
253.08644	2.7
255.10110	6.7
259.13303	1.5
269.17447	3.0
275.12445	1.3
275.19977	8.7
279.09988	1.9
287.12646	1.4
293.20908	2.0
311.16226	2.1
323.14719	13.1
335.16232	2.1
349.23843	10.0
367.24731	3.2
474.35352	1.3
503.15244	3.9
547.40790	1.3
556.01312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	0.4
51.02386	0.8
53.03938	0.9
55.01860	1.1
55.05508	1.0
55.31184	0.4
57.03437	4.9
59.04987	1.4
61.02910	1.4
64.50383	0.4
65.03931	0.7
67.05504	1.5
69.03428	19.5
69.07053	0.6
70.01763	1.4
70.02188	0.8
71.04993	0.7
73.02924	1.0
74.43238	0.4
75.04466	0.8
78.03438	1.5
81.03424	2.2
81.07058	1.1
83.04973	2.5
85.02905	15.5
87.04464	10.8
89.17761	0.4
91.03958	0.6
91.05496	1.3
93.07035	1.3
95.04945	1.1
95.08602	0.8
96.04490	100.0
97.02888	14.9
97.04823	0.5
97.06490	0.5
99.04472	1.1
101.02371	0.7
101.12885	0.4
103.03959	0.8
104.40895	0.4
105.07024	0.9
107.04952	0.9
107.08619	0.8
109.02895	2.0
109.10124	0.4
111.04449	1.3
115.03930	12.7
115.05430	0.4
117.07029	2.7
119.04904	0.6
119.08572	0.5
123.04366	0.5
126.03451	0.4
127.03905	2.2
129.05521	0.5
129.07027	0.6
131.08559	0.4
133.04967	11.4
135.08064	1.5
136.07576	4.0
137.06070	0.4
139.03900	0.5
145.03943	0.4
145.04889	2.0
145.06483	1.6
169.04965	0.4
173.05978	4.1
175.11220	0.5
190.83606	0.4
199.06320	0.5
201.05469	8.4
202.06239	0.4
229.07416	0.5
243.10175	3.2
285.16858	0.5
301.14374	0.8
381.19525	0.5
385.09048	0.5
396.18195	1.3
493.28049	1.2
543.19263	0.4
558.23352	1.6
690.26904	2.5
691.25995	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	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.6
55.01863	4.7
55.05511	33.3
57.03420	12.2
65.03930	6.2
67.05501	77.1
69.03424	32.3
69.07072	22.5
70.27405	16.8
71.04974	9.8
79.05056	6.8
79.05486	80.8
81.03413	100.0
81.07054	80.3
83.04993	17.7
83.08610	34.0
85.02424	4.3
85.02892	21.1
87.04474	5.9
89.06037	5.0
91.04964	6.3
91.05481	66.3
93.07034	68.6
95.04958	41.5
95.08600	45.9
97.02886	14.1
97.06509	8.3
97.10168	12.2
99.04460	4.6
105.07036	41.7
107.04939	9.3
107.08591	38.1
109.02874	17.6
109.06519	9.0
109.10146	24.1
111.04435	15.3
111.08072	13.4
114.35581	3.8
117.06991	18.4
119.08575	30.4
121.06494	5.3
121.10145	29.1
123.04417	4.1
123.08039	9.8
123.11669	3.9
127.03937	10.2
128.31964	3.9
129.07005	14.3
131.08559	31.0
133.06532	4.9
133.08658	4.0
133.10086	21.4
135.08089	5.7
135.11674	18.1
142.07774	4.7
143.08514	7.1
145.10144	20.0
147.08066	7.8
147.11720	26.2
149.09613	9.5
149.13237	10.6
151.11159	3.6
153.12706	3.8
155.08582	5.6
157.10120	15.7
159.11708	10.8
161.13300	5.4
165.12807	6.5
169.10115	4.1
171.11653	5.3
173.09581	4.9
173.13280	8.6
175.11232	18.7
179.14354	4.8
183.11598	3.8
185.13226	6.6
189.11096	4.4
193.12234	59.9
211.13283	94.3
213.37021	3.5
227.12717	9.0
242.91492	3.8
249.15022	3.6
261.22171	8.0
267.15848	6.5
285.16965	7.2
300.37936	3.8
301.21576	4.5
317.24448	4.9
335.25702	7.7
351.23032	7.5
355.17471	16.5
369.24155	11.2
461.28961	6.8
482.42151	3.5
513.14319	3.8
541.93469	3.9
545.37878	6.0
600.75146	3.8
653.40540	3.8
671.41156	7.1
689.42487	65.7
690.42609	5.5
717.19562	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	689.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01866	3.6
55.05514	9.0
57.03427	4.5
59.04989	3.0
61.02642	1.3
61.02929	15.9
65.03931	1.5
67.05510	15.2
67.12619	1.0
69.03082	1.1
69.03435	14.8
69.07053	4.5
71.01347	1.1
71.04978	1.6
71.58924	1.6
73.02915	6.1
75.60932	1.0
78.88960	1.0
79.05492	15.8
81.03412	5.4
81.07056	19.3
83.04972	4.0
83.08611	4.6
85.02908	25.7
85.06538	1.4
87.00826	2.0
87.04445	1.6
91.03965	10.0
91.05482	24.0
93.07043	17.1
95.04980	6.0
95.08610	12.1
97.02889	17.1
97.06516	7.2
97.10165	2.1
99.04428	1.4
103.05434	1.9
105.01836	1.1
105.07040	19.7
107.04951	3.1
107.08588	8.9
109.02869	3.4
109.06519	13.4
109.10149	2.9
111.04413	1.8
111.08070	2.6
115.03925	3.3
115.05450	2.0
117.07023	11.7
117.09138	1.1
119.04964	1.9
119.08588	14.4
121.06498	9.7
121.10124	4.2
123.04371	1.4
123.08056	5.4
125.06006	2.0
127.03913	6.3
128.06216	4.5
129.05460	1.2
129.06999	7.7
130.07750	1.8
131.08562	20.6
133.06476	11.0
133.10139	11.2
135.08070	5.9
135.11681	3.8
137.05971	2.2
137.09613	1.3
139.11020	1.2
141.07024	1.9
142.07777	2.1
143.08565	22.7
144.09300	1.3
145.04961	4.1
145.06561	2.8
145.10117	18.3
146.07317	1.1
147.04396	2.5
147.08054	12.0
147.11688	4.7
149.09654	2.2
149.13271	2.9
151.07605	1.7
151.11169	3.3
155.08540	2.5
157.10120	8.2
159.08096	5.5
159.11690	14.8
161.05959	1.6
161.09636	11.7
161.13196	1.6
163.03903	1.2
163.11131	2.4
165.07050	1.5
167.07100	1.4
167.08586	2.6
169.10100	3.9
171.08086	1.6
171.11716	5.1
173.09615	4.0
173.13286	2.4
175.11194	4.5
177.12723	10.5
179.08582	1.0
180.09262	1.1
181.10135	4.3
183.11705	2.9
185.09645	1.9
185.13266	2.6
187.11217	1.3
189.09158	9.3
194.10811	1.1
195.11665	5.8
199.11195	1.5
209.13380	1.2
210.62097	1.1
213.08960	1.3
213.12823	1.4
227.14415	1.4
227.17966	3.1
237.16327	6.1
245.18922	1.8
255.10147	1.3
255.17459	14.0
273.18469	39.6
291.19556	3.2
321.13495	1.1
347.22168	100.0
348.22531	2.6
365.23157	8.0
389.22992	1.3
491.26077	1.3
509.27542	3.4
527.28497	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01880	7.3
55.05309	1.4
55.05508	18.3
57.03447	9.0
61.02924	23.3
65.03934	2.0
67.05505	27.9
69.03088	1.9
69.03430	23.4
69.07068	17.2
69.46942	1.4
71.01360	2.0
71.04982	6.6
71.59465	2.5
73.02936	8.9
79.05490	20.0
79.17986	1.5
81.03414	23.7
81.06566	2.2
81.07054	25.7
83.04977	8.0
83.08620	12.0
85.02904	33.9
85.06551	2.9
87.04430	1.8
91.03953	14.3
91.05473	21.2
93.07049	16.8
95.04974	11.6
95.08598	11.6
97.02897	33.5
97.06519	3.7
97.10178	12.8
99.04452	5.0
101.02378	3.4
103.03917	2.1
105.07032	17.3
107.04951	7.4
107.08592	13.5
109.02868	11.6
109.06496	4.6
109.10146	12.5
111.04453	3.9
111.08078	3.6
115.03873	2.1
117.07002	6.1
119.08600	12.3
121.06500	6.0
121.10133	6.9
123.04398	2.5
123.08070	3.7
123.11646	2.1
125.09642	9.9
127.03894	15.1
127.04714	2.0
128.06223	1.6
129.05498	2.1
129.07013	4.3
131.04990	1.7
131.08574	10.0
132.51836	2.0
133.06488	4.1
133.10143	12.9
135.07991	4.0
135.11720	4.0
137.05942	2.7
137.09624	2.0
142.23285	1.6
143.08553	4.9
145.04945	5.8
145.06470	1.7
145.10118	6.6
147.08061	4.4
147.11693	4.2
149.09613	4.6
149.13222	2.0
151.07581	1.8
151.11188	4.4
155.08473	1.6
157.10127	3.5
158.07275	1.9
161.09608	3.4
163.06007	2.3
163.11214	2.5
164.03473	1.6
165.12793	1.6
171.11627	3.1
173.09587	3.0
173.13148	1.9
175.11180	3.9
177.09167	1.9
179.10585	2.7
183.06534	2.7
185.13263	2.2
189.11198	7.2
193.12247	6.9
201.07465	2.7
211.13322	6.1
223.13301	13.6
227.12817	5.1
229.14404	2.5
235.13161	3.1
248.65073	1.5
249.14963	4.5
253.14349	5.0
263.20245	2.2
267.15927	2.4
269.13736	3.1
273.18448	16.8
285.16916	2.3
291.19537	100.0
292.19974	1.7
309.67969	1.6
347.22122	8.0
365.23233	33.7
389.22903	2.7
411.20139	1.7
469.04230	1.9
509.27368	3.9
527.28528	5.4
585.28577	7.3
689.32800	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	688.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50944	0.9
53.03959	1.2
55.05262	1.7
55.05511	13.6
57.03441	13.7
57.07078	2.7
58.61097	0.8
59.05001	4.2
61.02929	4.0
63.07940	0.9
65.03934	1.3
67.05505	100.0
69.03423	2.1
69.07072	13.2
70.02884	4.6
71.04983	3.0
71.08640	1.2
73.02909	1.2
78.71979	1.0
79.05486	7.4
81.03406	1.0
81.07057	40.0
83.04974	1.5
83.08619	10.3
85.02914	4.1
85.06538	2.6
91.03989	1.5
91.05474	9.4
93.07046	12.3
94.31107	1.0
95.04981	0.8
95.08606	26.3
97.02919	2.4
97.06564	1.8
97.10174	4.0
97.80707	0.9
98.20786	1.2
99.08077	1.2
103.35392	0.9
105.07029	3.9
107.08601	7.4
109.10157	76.2
111.08100	3.7
116.50896	0.8
119.08575	8.3
121.10164	4.4
123.11726	5.4
127.03870	1.0
133.10147	4.0
135.11649	1.6
137.09627	3.1
137.13248	1.3
147.11731	1.4
149.13211	0.9
149.67514	1.0
155.09514	0.8
155.10677	3.8
161.13258	2.1
162.18153	0.9
173.11745	23.3
175.15033	1.1
227.12801	1.5
229.14352	98.6
230.14662	1.7
245.22652	1.3
263.23804	5.4
326.36658	1.0
337.27353	67.7
338.27585	1.8
347.59995	1.1
491.37320	49.0
492.37582	2.1
548.57416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69475	0.4
55.60866	0.4
57.02736	0.4
64.07408	0.4
67.05516	0.5
69.03445	0.5
71.58911	0.5
73.01537	0.4
79.05470	0.4
81.03413	0.9
85.02912	0.7
91.05546	0.4
93.07047	0.4
95.04987	0.5
97.02945	0.5
102.03954	0.4
105.07020	0.8
109.02851	0.4
109.06507	0.4
119.91625	0.4
127.03936	0.6
135.04515	0.4
137.06018	0.5
147.04475	0.5
161.06010	0.8
167.07068	1.8
177.14439	0.4
181.05008	0.4
188.99519	0.4
213.09303	0.4
227.05309	1.5
267.07147	0.5
271.04242	2.9
307.10300	0.4
381.11557	0.6
425.12051	1.2
440.14301	2.3
441.15170	7.4
444.12787	0.5
459.15298	0.5
477.16150	0.6
501.16187	1.6
506.89471	0.5
515.18274	0.7
529.07367	0.5
585.18781	0.9
603.10754	0.6
603.20276	6.9
645.21533	34.1
646.22260	0.9
689.20483	100.0
690.20483	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05513	13.3
57.03447	11.5
57.07077	2.4
58.24745	1.3
59.04990	4.3
59.93546	1.3
61.02924	6.5
62.37848	1.2
65.03934	2.4
67.05505	100.0
69.07060	7.9
69.92105	7.3
70.87750	1.4
71.04982	2.7
79.05497	19.7
80.54340	1.3
81.07056	39.3
83.08617	9.2
84.69276	1.1
85.02893	5.8
85.06534	3.0
91.03924	2.1
91.05479	16.7
93.07040	25.6
95.04966	2.4
95.08607	29.3
97.02901	3.4
105.07017	8.5
107.08601	14.0
109.10157	81.9
111.08072	3.3
117.07011	3.4
119.08578	11.5
121.10126	13.3
123.11696	2.8
131.08565	5.5
133.10164	4.3
135.11703	7.7
137.09573	3.2
145.10132	4.0
147.11665	4.6
149.13255	4.4
155.10664	4.5
159.11656	4.1
161.13251	4.1
163.14828	3.3
173.11766	21.1
173.13271	3.4
187.14740	2.0
199.27263	1.6
206.63884	1.4
227.12842	4.2
229.14349	84.7
230.14629	1.4
243.21126	4.5
261.22116	20.7
310.70502	1.6
317.24789	2.7
335.25778	81.7
336.26126	3.8
397.31042	1.8
450.45377	1.4
489.35751	62.9
490.35986	4.3
507.36719	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	688.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13476	0.9
50.44221	1.0
53.03949	2.3
55.05510	16.0
55.95879	0.9
57.03434	12.3
57.07068	2.3
59.04991	3.1
61.02914	4.3
65.03944	2.5
67.05502	100.0
69.03406	1.4
69.06720	1.4
69.07064	15.7
69.46046	2.7
69.46471	6.6
70.67312	0.9
71.04990	2.9
79.05495	11.7
81.07053	40.7
83.05003	1.4
83.08608	11.4
83.88853	0.9
85.02893	2.8
85.06529	2.9
87.04437	1.1
88.64545	1.0
91.03911	1.4
91.05482	9.5
93.07030	12.2
95.04963	2.5
95.08601	32.6
97.02853	3.1
97.06501	1.8
97.10151	4.2
99.08067	1.1
105.07013	4.3
107.08595	6.5
109.10149	72.9
110.10489	1.0
111.08064	3.4
119.08580	8.4
121.10125	5.3
123.11695	5.0
133.10120	3.7
135.11670	2.7
137.09610	2.9
137.13234	1.1
145.06703	1.1
147.11674	2.9
149.13234	1.8
149.18933	1.0
155.10675	5.0
161.13258	2.3
163.43018	1.2
173.11745	20.0
175.14835	1.3
186.73628	1.1
229.14334	82.2
245.22672	4.1
263.23648	5.1
337.27350	76.8
338.27728	1.1
392.99347	1.3
417.12286	1.0
491.37283	73.7
492.37527	3.0
509.38422	1.6
623.29834	1.1
670.43292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05519	10.2
57.03435	11.1
57.07072	2.4
59.04989	3.8
61.02915	4.0
65.03930	2.4
66.53618	0.9
67.05505	100.0
68.05811	1.0
69.03445	1.4
69.07072	6.5
71.04978	3.8
73.02908	1.1
79.05492	16.0
81.07056	35.8
83.08624	6.6
85.02879	2.9
85.06536	2.4
91.03947	1.3
91.05482	14.1
91.54169	0.8
93.07043	21.9
95.04964	2.4
95.08607	25.3
97.02895	2.1
97.06535	1.4
97.10185	1.9
105.07011	6.3
107.08598	12.9
109.10156	72.1
110.10464	1.1
111.08067	3.2
112.87025	0.8
117.07027	2.3
119.08577	10.8
121.10135	9.5
123.11700	1.7
125.09641	1.3
131.08556	3.8
133.10167	4.9
133.11081	0.9
135.11703	5.5
137.09615	3.7
137.13277	1.3
145.10103	3.5
147.11678	2.5
149.13237	3.4
155.10704	4.2
159.11713	3.5
161.13251	2.2
163.14772	2.6
163.70003	0.8
171.11746	1.0
173.11763	21.7
173.13272	3.3
174.12122	0.8
175.14915	1.0
187.14702	1.1
214.03912	0.8
227.12776	3.9
229.14348	77.2
230.14598	2.5
243.21085	4.6
261.22113	14.7
279.22983	0.9
317.24762	3.3
318.29996	0.9
335.25809	55.5
336.25998	2.4
379.29874	1.6
415.31903	1.3
489.28848	1.8
489.35779	30.8
490.36023	1.4
507.36520	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01871	0.7
67.05488	0.6
68.99764	0.7
69.03429	0.9
69.48276	2.4
69.48693	2.0
70.06599	1.0
79.05495	1.1
81.03407	2.5
84.08140	0.7
85.02916	6.0
87.00845	1.1
88.73691	0.5
91.05460	0.6
95.05001	2.6
97.02895	1.1
102.42503	0.5
103.03924	1.1
103.05448	0.7
105.07050	1.0
107.04953	100.0
108.05302	1.1
109.02890	1.5
111.04385	0.7
118.08585	0.5
119.04922	0.7
121.02914	0.9
121.06533	1.0
123.04448	0.8
127.03950	0.7
129.01816	0.5
131.04929	2.4
131.08563	0.5
133.06477	0.6
134.79756	0.5
135.04437	1.0
137.05986	1.0
138.05434	0.8
139.03880	0.5
141.06920	0.5
145.06548	1.0
147.04419	2.7
149.02292	0.5
149.06049	1.2
151.03917	2.1
157.06448	0.9
161.06010	1.4
163.03893	2.0
171.04387	0.9
173.02246	0.5
173.05980	1.1
175.03876	3.6
177.05498	1.4
178.52104	0.5
181.04869	1.2
185.05952	1.4
187.03905	1.5
187.07463	0.8
189.03957	0.8
189.05490	2.1
191.03450	0.8
193.04933	1.7
197.06065	0.6
199.03922	1.1
201.05505	1.1
205.04962	4.0
207.06549	1.9
213.05545	1.9
215.03357	0.7
215.07019	1.0
217.04962	6.5
219.06596	1.1
221.04486	0.6
223.05977	1.3
227.07036	1.2
229.04932	2.7
231.06546	2.5
235.05952	4.4
241.04979	2.4
243.06500	1.9
247.05995	2.8
249.07532	0.5
255.06560	1.5
257.04514	0.7
259.05966	7.7
269.08170	1.0
271.06027	2.5
273.07724	1.6
275.05524	0.5
277.07043	2.4
279.06604	0.9
283.06049	3.2
285.03876	0.6
285.07556	0.6
287.05432	0.7
289.07111	2.0
297.07541	1.5
299.05655	0.7
299.09116	0.7
301.07004	5.2
311.05734	0.7
311.09097	1.2
313.07083	1.6
317.06509	0.6
317.10138	1.2
319.08884	0.7
323.09225	1.6
324.05258	0.6
325.07251	2.5
329.10309	1.9
341.10172	5.3
343.08203	1.8
349.06940	0.9
353.10056	2.8
355.08249	0.7
365.10352	3.7
377.10287	1.4
383.11234	6.6
385.09442	0.6
389.10202	2.4
395.11212	3.7
407.11215	9.4
419.11176	2.5
425.12219	3.5
431.11334	4.4
443.13129	1.6
449.12381	5.1
461.13159	1.9
467.13455	1.4
473.12222	2.2
491.13382	2.6
499.12277	0.7
509.14468	1.9
511.12534	1.1
517.13312	2.8
527.15344	0.9
535.12482	0.8
553.13452	0.7
565.13074	1.2
577.13477	0.9
583.14404	2.0
632.03894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01854	1.1
57.03442	0.8
58.30862	0.6
61.02919	1.0
69.03432	4.4
69.07063	0.6
69.88536	0.5
70.02330	0.6
71.40062	1.4
79.05492	1.2
81.03400	2.5
85.02435	0.6
85.02901	6.5
87.00813	1.6
87.04446	1.7
91.05459	1.4
93.07048	0.8
95.08594	1.2
97.02875	4.7
99.04467	0.9
103.05447	0.7
105.01877	1.5
105.06989	0.8
106.06546	1.8
107.04949	2.2
107.08598	1.2
109.02892	1.9
115.03908	4.3
115.05441	1.6
117.06986	1.2
121.10136	1.8
123.04402	0.7
123.11697	0.7
127.03928	4.4
128.06227	1.9
129.07002	5.7
131.04889	0.9
131.08566	6.4
133.05002	2.9
133.06468	1.3
137.05998	1.2
141.06973	2.9
143.08540	1.5
144.05687	2.8
145.04979	1.7
145.06459	2.5
146.07259	0.9
146.33435	0.6
147.04349	1.1
153.07034	0.9
157.06491	2.8
158.07321	1.2
159.03012	0.8
159.08043	11.7
161.04411	0.7
161.05908	0.7
161.09636	2.2
167.07043	2.6
169.06326	1.0
169.07704	0.9
170.07265	2.4
171.08083	2.5
172.05183	1.1
173.06021	1.9
173.09630	0.9
175.07500	1.9
177.05522	0.6
177.16298	1.3
187.07533	8.6
188.08272	0.9
189.05508	0.7
189.09125	4.2
193.08618	1.0
199.07526	0.8
201.09105	1.4
203.07091	1.3
204.07797	6.1
205.08528	1.5
216.07813	2.1
219.10124	3.5
221.11716	1.9
230.31497	0.7
231.08130	0.8
231.10075	3.5
233.11665	7.5
237.11230	0.7
249.11218	100.0
250.11531	2.3
251.12801	3.4
259.08176	0.8
267.12225	2.6
295.10181	1.0
306.17905	0.7
330.59235	0.6
385.16150	0.8
391.12683	0.7
497.16068	0.6
561.79663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
55.01870	3.4
57.03421	1.4
61.02915	1.7
68.99764	1.4
69.03426	9.1
70.65680	1.6
70.66074	1.2
71.04990	1.4
73.02895	2.3
79.05482	3.4
81.03418	18.4
81.07053	0.6
85.02904	23.2
86.51009	0.7
87.00832	9.7
87.85154	0.7
91.03917	1.1
91.05437	1.9
93.07070	0.6
95.04959	2.0
97.02891	11.6
99.04470	5.1
103.05439	1.8
105.01861	8.1
105.06998	1.2
107.04955	9.0
108.04467	2.4
109.02882	12.3
115.05457	5.6
116.06324	0.6
117.01848	1.4
117.07017	12.2
122.77311	0.7
123.04397	2.7
124.05193	1.2
125.05955	0.9
126.05504	1.1
126.21214	0.6
127.02984	1.0
127.03924	18.4
128.06216	1.6
129.01830	1.6
129.06979	2.9
129.93146	0.7
130.04141	1.1
131.04892	0.8
131.08582	3.4
133.06488	1.1
137.05945	1.8
138.27652	0.7
139.07574	0.6
141.06943	0.9
143.08617	0.6
144.05679	2.5
145.04974	7.4
145.06474	31.7
147.02875	1.0
147.04362	0.9
147.08055	2.0
152.04573	0.7
153.05481	1.0
155.06032	2.7
156.05684	6.3
157.06503	1.5
159.02875	6.2
159.06767	1.0
159.08032	5.9
160.05067	0.7
161.06003	2.8
167.07040	49.4
173.05981	57.9
175.07597	1.4
177.05518	1.3
179.07008	0.9
181.04930	1.9
181.08578	1.7
184.05229	1.8
187.07539	7.0
189.09077	4.6
190.06242	29.9
191.06961	1.8
193.08578	2.6
195.06490	1.1
197.06097	0.7
202.06221	4.0
203.06993	5.6
205.08597	100.0
207.06526	2.5
207.10023	0.9
208.05116	0.8
209.08000	0.9
213.03915	1.1
215.07062	1.1
217.08597	42.6
219.08223	1.3
219.10088	4.8
220.08784	0.8
221.08076	0.8
223.09627	2.6
229.08582	1.0
231.04930	3.0
231.08038	1.2
231.10159	1.1
233.09685	1.0
235.07846	1.0
235.09634	27.3
247.07443	1.6
247.09679	7.7
248.07959	2.4
249.08932	0.8
249.11237	1.2
261.08945	0.7
262.10080	0.7
263.10614	1.4
264.07864	1.3
265.10727	31.7
269.08093	1.6
271.09695	1.9
275.07123	1.0
277.08524	1.1
279.10031	1.7
280.10611	0.9
282.08649	0.9
291.10159	2.2
293.08090	1.2
299.09094	1.2
307.09607	2.2
308.10461	1.2
315.08603	8.0
316.09344	0.7
319.09671	1.2
323.12677	2.1
330.10950	13.2
331.11826	4.8
337.10767	1.1
339.12326	1.9
340.12585	0.7
343.11700	1.1
350.11539	1.2
351.12128	5.2
353.10178	0.9
368.12567	1.2
369.13211	2.4
371.15063	3.5
377.58167	0.8
383.14874	16.1
401.15958	14.6
417.15308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01852	0.5
57.03405	1.4
61.02889	1.9
65.52364	0.5
67.05479	0.5
68.99767	1.0
69.03434	5.2
70.06578	0.9
71.04978	0.6
71.58406	0.8
73.02889	1.3
81.03428	3.3
85.02444	0.9
85.02904	11.8
87.00800	1.4
87.04420	0.7
91.05466	0.6
97.02882	2.7
99.04465	0.9
103.03896	1.8
105.01774	0.8
107.04893	0.6
109.02840	2.4
119.04906	1.7
121.02859	8.2
123.04423	0.6
127.03923	3.8
145.02806	2.1
145.04956	1.1
147.02785	0.8
147.04396	0.9
149.02391	0.7
149.06099	0.5
151.03943	0.7
163.03902	1.4
165.01816	2.7
167.03325	1.1
170.53069	0.5
171.02904	0.9
177.01857	1.2
183.02882	2.6
187.03827	1.3
189.03859	0.7
191.03380	0.9
195.02867	3.3
208.05954	0.6
213.05698	0.7
217.04903	0.7
227.07121	0.6
243.06470	1.0
255.06494	1.7
256.07266	2.4
261.03882	1.3
267.06549	2.2
270.05228	1.4
271.03040	1.0
271.05997	21.3
279.06491	0.8
283.06006	31.7
284.06772	18.1
284.09958	0.8
285.07532	1.8
295.06006	28.4
296.06287	0.8
297.07562	6.2
307.06000	1.8
308.06744	1.6
309.07629	4.2
311.05502	1.5
313.07040	100.0
314.07391	1.6
323.05591	1.4
323.08981	4.6
325.07077	3.2
333.07544	1.5
337.07007	11.8
343.08029	3.2
351.08536	1.5
355.08096	1.4
361.06949	1.6
363.08725	0.7
367.07962	0.9
379.08185	4.9
397.09213	2.5
415.10260	1.5
433.11227	1.3
439.10342	5.1
457.11176	4.2
475.12338	7.9
483.09192	3.4
501.10233	13.5
519.11322	39.2
519.22925	4.6
520.11823	0.8
590.26221	0.7
681.17328	1.6
681.29254	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	681.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27979	0.4
53.03947	0.6
55.01862	0.6
57.02434	0.5
57.03420	0.5
59.28601	0.4
62.06558	0.4
68.99814	0.6
69.03430	2.8
69.64821	0.4
69.94170	2.8
71.05015	0.5
79.01876	0.6
81.03412	3.7
85.02903	5.7
86.38963	0.4
87.00822	1.8
91.57562	0.4
97.02884	1.5
99.04441	1.0
104.64415	0.4
109.02888	2.9
119.04913	1.5
121.02872	8.3
123.04460	0.5
126.15099	0.4
127.03919	3.6
129.43063	0.4
143.61852	0.5
145.02826	1.3
145.05009	0.8
149.02364	0.8
153.01846	0.7
163.03879	1.1
165.01839	1.0
167.03386	0.9
171.02800	0.7
177.01863	0.9
181.75374	0.4
183.02904	1.1
191.03336	0.7
195.02914	4.1
213.05495	1.4
217.04927	0.8
231.05055	0.9
239.07179	0.5
242.05620	0.5
243.02899	0.7
243.06485	1.3
255.06540	2.9
256.07278	2.5
259.05954	0.9
261.03952	1.1
267.06503	1.5
268.07382	0.6
270.05182	1.1
271.06015	17.1
281.07993	0.7
283.06003	24.1
284.06781	18.9
284.09973	0.8
285.07513	2.7
295.06000	14.8
295.09387	0.7
297.07651	5.2
299.98587	0.4
307.06061	1.1
308.06979	0.9
309.07492	4.3
311.05603	0.7
313.07040	100.0
314.07309	2.7
323.05524	1.0
323.09128	5.0
325.07095	2.3
327.08542	0.7
337.03192	1.0
337.07037	14.5
343.08084	1.8
349.07156	0.6
351.08505	1.8
355.08096	1.3
367.08133	3.4
379.08096	3.9
397.09192	8.0
415.10208	14.7
433.11307	35.0
434.11621	1.2
475.12689	1.1
517.13300	1.6
519.11285	1.0
561.12433	10.8
595.16595	3.5
663.15924	0.6
667.56940	0.5
681.16589	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	679.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20411	1.5
53.03939	2.2
55.05507	18.9
57.03439	9.1
57.07069	10.2
61.02924	22.4
65.03924	2.0
67.05503	79.4
69.03443	3.5
69.07066	24.8
69.35869	3.3
69.36272	11.2
70.71755	1.5
71.04975	2.6
71.08624	6.0
73.02909	9.5
79.05494	23.3
81.03413	2.0
81.07053	100.0
83.04989	1.9
83.08619	20.0
84.59418	1.7
85.02908	24.4
85.06529	1.8
85.10163	4.5
91.03951	25.9
91.05476	17.3
93.07047	23.8
95.04951	3.5
95.08605	78.1
96.32609	1.3
97.02878	13.8
97.06544	6.8
97.10170	12.9
99.08090	3.9
105.07024	12.4
107.08588	16.3
109.10146	40.7
111.08068	3.5
111.11723	3.2
113.09644	4.7
119.08547	10.9
121.10148	25.7
123.11716	21.2
125.09643	1.5
127.03924	6.5
133.10118	16.5
135.11693	15.5
137.09604	3.3
137.13277	7.6
139.11121	1.4
141.12737	3.9
145.04976	12.1
145.10156	1.7
147.11681	12.7
149.13271	10.9
151.11176	2.4
151.14813	8.0
155.14279	3.9
161.13248	15.5
163.06013	15.7
163.14801	13.4
165.16400	8.9
175.14838	11.5
177.16371	2.7
179.18011	7.9
179.41228	1.6
181.15808	1.5
189.16423	4.0
193.15884	2.1
203.17830	2.1
212.75224	2.0
217.19542	1.8
245.22641	71.8
263.23691	89.3
265.25455	1.5
276.80286	1.6
337.27328	48.0
355.28418	2.9
550.93475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
54.67505	2.0
55.05517	17.0
55.61474	2.2
57.03423	7.9
57.07068	6.0
61.02922	21.3
67.05505	87.6
69.03413	3.3
69.07054	14.5
71.04981	3.4
71.08614	1.8
73.02898	8.5
76.93701	1.9
79.05067	3.1
79.05496	48.0
81.03420	3.3
81.07057	100.0
83.04973	2.2
83.08611	7.4
85.02903	21.0
85.06527	3.7
91.03947	17.9
91.05476	32.4
93.07043	61.6
95.04955	6.2
95.08607	74.4
97.02876	8.7
97.06519	4.3
97.10186	3.3
98.20683	3.0
99.08085	2.7
105.07015	19.9
107.08595	47.9
107.19009	1.9
109.09460	3.4
109.10157	44.5
117.06981	11.4
119.08584	14.7
121.10140	36.9
123.11695	23.2
127.03902	6.5
129.07045	2.2
131.08585	20.2
133.06529	2.4
133.10139	11.9
135.11682	28.9
137.09613	3.3
137.13261	5.7
145.04958	7.8
145.10094	15.4
147.11678	15.7
149.09547	2.8
149.13290	18.6
159.11717	18.3
161.13229	11.6
163.06004	7.2
163.11246	2.5
163.14844	19.2
173.13268	11.8
175.14865	4.5
177.16385	6.4
187.14792	9.2
191.14143	2.5
229.41705	2.4
233.22668	3.1
243.21104	31.4
261.22144	96.4
279.23102	7.3
335.25754	30.8
353.26886	24.8
397.39972	2.4
471.28488	1.9
497.31024	5.2
677.34912	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	678.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.4
57.07080	21.3
65.59460	1.3
67.05485	1.6
69.33608	13.3
71.08633	41.0
73.06564	2.1
79.05496	2.7
81.07027	1.8
85.10184	22.7
87.04466	16.1
89.06031	100.0
91.05470	12.8
93.07045	6.7
95.04964	2.1
95.08620	2.4
103.05434	1.8
105.07031	5.1
107.04938	2.2
107.07065	5.0
107.08562	2.3
117.07007	2.1
117.21465	1.3
119.04935	2.2
119.08607	3.9
121.06502	20.6
130.08669	2.7
131.07043	6.6
131.08583	3.6
133.08606	61.2
133.10133	2.8
135.08040	5.9
135.11700	1.8
136.05215	2.0
136.07793	1.3
147.08066	9.4
149.09680	4.6
150.06645	1.8
155.48494	1.4
161.74977	1.5
163.11183	2.9
165.09077	7.3
166.60696	1.5
167.10623	2.3
175.09680	4.6
175.11169	1.8
177.11232	24.1
191.10686	2.1
193.12305	2.9
199.61655	1.8
209.11751	6.3
211.13353	3.0
221.13817	3.6
235.13367	2.4
247.20576	15.9
273.22110	3.4
279.16068	1.7
283.17572	2.3
289.25641	1.9
291.23138	32.4
292.50189	1.3
293.80136	1.5
317.24728	3.0
334.31195	1.6
335.25760	7.0
456.93774	1.7
465.28607	1.6
535.30774	3.0
661.44916	4.4
678.48456	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	679.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01859	2.1
55.05510	23.7
57.03437	9.5
57.07077	11.5
61.02923	19.9
65.03944	3.5
65.98763	1.7
67.05503	94.3
68.05827	1.4
69.03425	4.3
69.07066	29.7
71.04951	1.7
71.08626	8.0
73.02912	8.3
74.54340	1.5
79.05490	23.7
81.03427	1.9
81.07056	100.0
83.08619	19.3
85.02898	18.4
85.06542	3.6
91.03956	18.7
91.05477	18.2
93.07037	27.9
95.04974	3.2
95.08607	77.5
97.02916	8.9
97.06514	10.3
97.10168	17.1
99.08097	5.8
105.07034	11.9
107.08594	19.7
109.06503	1.9
109.10156	40.6
111.08109	4.2
111.11716	6.5
113.09626	2.5
119.08567	16.0
121.10130	22.3
123.08041	2.4
123.11708	19.3
125.09579	2.1
125.13274	2.2
127.03926	8.1
127.11225	3.2
131.08563	2.7
133.10118	16.1
135.11682	14.8
137.09625	2.7
137.13261	8.6
139.11183	2.7
141.12744	3.9
145.04971	6.4
147.11690	12.9
149.13252	13.6
151.11192	2.3
151.14799	9.1
155.14328	3.8
161.13254	14.0
163.05992	12.0
163.14815	12.0
165.16403	11.2
167.14291	2.1
175.14822	13.5
177.16412	2.4
179.14354	1.9
179.17908	9.0
181.15874	2.4
187.90556	1.6
189.16409	5.6
193.15779	2.6
217.19449	1.9
233.95067	1.6
245.22647	69.3
263.23694	83.4
264.24005	2.3
270.02188	1.6
337.27353	71.8
338.27686	2.3
355.28391	5.4
420.30237	1.9
499.32458	5.7
654.60950	1.6
679.36560	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01854	1.6
55.05506	13.9
57.03430	6.1
57.07076	4.9
61.02641	1.9
61.02924	22.2
65.03914	3.4
65.23383	1.4
67.05502	67.1
69.03414	2.8
69.07070	11.8
71.04987	2.5
71.90517	1.5
73.02923	10.3
73.68575	1.4
75.04443	2.2
79.05492	41.4
81.03417	2.2
81.07056	75.7
83.08606	5.5
85.02901	28.7
85.06522	3.1
91.03957	22.0
91.05477	25.9
93.06475	2.9
93.07043	56.9
93.15018	1.8
95.04945	5.1
95.08605	53.5
97.02916	10.3
97.06514	5.1
97.10175	3.6
97.92899	1.4
99.08084	2.9
105.07027	16.9
107.08598	37.3
109.06470	1.8
109.10156	31.4
111.08081	3.2
111.11684	1.8
117.07001	9.7
119.08592	14.3
121.10139	33.0
123.11716	18.6
127.03914	7.4
131.08578	22.9
133.06433	1.7
133.10124	16.2
135.11690	23.9
137.09604	2.5
137.13245	7.1
139.11124	1.6
145.04941	11.4
145.10095	15.0
145.61525	1.4
147.11668	10.0
149.13255	21.5
151.11176	1.9
159.11673	13.2
161.13264	10.5
163.06027	18.7
163.14810	14.7
173.13272	14.8
175.14784	6.0
177.12711	1.8
177.16360	6.6
179.14404	2.7
187.14792	10.1
201.16345	3.5
205.16048	1.9
223.17053	1.6
229.17348	1.6
229.22566	1.5
233.22528	3.2
243.21089	35.4
261.22137	100.0
279.22992	3.3
279.29263	1.7
335.25760	18.3
353.26849	27.8
554.51233	1.8
635.31622	2.1
649.11786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	47.9
61.01145	3.2
64.25900	1.0
67.60914	0.9
70.02937	1.5
70.06609	1.2
71.59504	1.6
73.86776	1.0
74.06080	1.0
81.03445	1.0
84.04511	1.2
84.08144	38.4
85.02884	1.2
86.09706	100.0
88.03992	15.8
91.05461	1.6
98.06057	69.7
100.03967	2.1
101.10757	0.9
102.03799	1.3
105.06999	0.9
116.81340	1.0
123.04385	1.6
126.05521	11.2
129.10240	18.7
129.11121	1.4
130.08649	19.8
137.06017	1.0
139.03912	1.9
140.10696	1.1
141.10216	1.5
143.08144	1.3
147.04494	1.6
147.11278	17.4
148.04294	5.4
149.02679	2.1
153.06660	2.2
156.10033	1.0
162.05850	8.5
163.03947	1.9
166.08684	1.5
169.09805	3.6
176.04588	1.5
183.11433	1.0
190.05333	72.4
195.07695	5.5
199.07184	3.5
199.18079	2.2
201.12320	10.6
213.08690	6.0
223.07147	1.8
229.11896	1.3
241.08182	18.8
242.18636	1.8
260.19656	12.7
263.06927	2.1
273.65118	1.0
283.06171	1.7
287.06961	2.5
300.97394	0.9
305.08026	26.6
314.20755	2.2
325.03830	1.7
326.17130	3.2
351.48962	1.0
353.10260	1.3
354.16602	10.3
373.28046	5.6
390.16940	11.3
418.16452	27.7
418.22165	1.3
467.25095	2.3
488.30899	2.7
531.24847	2.1
586.33038	1.5
613.35529	59.9
614.35919	2.4
677.35376	85.4
678.36127	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	677.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90405	1.6
55.01873	3.3
55.05512	5.3
55.22806	1.4
67.05496	4.0
68.99787	4.2
69.03423	3.3
69.07053	2.1
70.06588	4.6
72.08156	1.7
79.05483	4.3
81.03436	3.0
81.07053	4.8
83.04903	1.4
84.08155	2.5
85.02898	3.2
86.09711	4.7
89.03942	1.4
91.05480	2.6
93.03378	1.4
93.07073	2.4
95.04951	4.8
95.08611	4.4
97.02888	3.0
97.06526	4.5
105.07018	3.0
107.04951	6.0
107.08565	2.3
108.08816	1.4
109.02870	2.4
111.04444	4.9
119.04967	3.0
121.02824	2.1
122.05979	1.7
123.04422	36.8
127.03915	39.2
129.07024	1.9
131.04884	2.3
135.04422	56.1
137.02281	1.5
137.05981	5.9
139.03899	100.0
139.07478	1.9
145.02821	2.6
145.06316	1.8
145.10124	2.6
147.04393	9.8
148.07568	2.2
149.05962	3.6
151.03880	10.2
159.04451	2.6
161.05995	5.0
163.03899	71.3
163.07596	1.7
165.05490	18.8
167.03464	2.1
167.06943	1.8
168.69144	1.6
173.05980	3.5
175.03935	2.6
175.07503	1.9
177.05455	7.6
179.03372	15.2
181.08589	71.6
185.06009	4.2
187.03911	6.4
189.05486	4.0
191.03381	2.4
193.08681	2.3
201.05461	3.8
203.03307	2.1
203.06996	2.8
205.05077	3.7
205.08621	2.1
207.10158	11.9
211.07414	1.7
213.05409	4.7
215.03432	2.8
215.06949	2.2
217.04909	2.3
221.08060	4.2
225.11217	40.0
227.06830	2.1
229.04944	4.5
231.06532	1.7
237.05449	1.9
239.06987	2.1
241.04962	3.4
243.06575	3.2
245.04358	2.7
247.06023	2.9
255.06517	5.8
257.04269	1.8
259.05954	4.1
265.04846	2.2
265.10657	4.3
269.04434	5.8
271.05988	5.6
273.07565	6.1
283.06061	14.6
283.09134	2.0
289.07019	8.7
297.11105	1.9
299.05606	4.6
299.09036	2.6
301.07013	11.1
301.10663	4.3
307.09357	1.8
311.05832	1.9
311.09149	6.6
315.12268	2.2
325.10605	20.1
327.08630	16.6
327.12134	2.9
341.10129	2.4
343.11758	59.1
345.13159	3.5
351.12393	2.3
353.10526	1.8
355.11731	9.1
367.11810	3.5
369.13297	21.8
373.12903	6.0
387.14371	35.4
411.10880	2.2
429.21890	1.7
463.13834	5.3
489.15268	3.7
507.16763	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	677.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
53.57383	1.1
55.01867	4.2
55.05502	5.1
57.03431	2.5
60.83915	1.0
65.03932	1.6
67.05492	4.1
68.99778	3.7
69.03409	1.4
69.07060	1.9
70.06570	1.2
71.12595	2.0
71.12909	1.6
74.47444	1.1
76.82802	1.2
76.97353	1.2
79.05495	3.0
81.03402	2.9
81.07053	2.5
85.02872	1.3
89.03909	1.6
91.05477	3.6
93.07029	2.4
95.04953	6.1
95.08607	2.4
97.02930	1.1
97.06503	6.4
103.05444	1.2
105.07029	2.0
106.51054	1.2
107.04979	5.3
109.02888	2.1
109.06526	1.7
111.04440	3.3
112.37450	1.0
117.03394	1.2
119.04955	2.7
119.08612	1.1
122.06050	1.5
123.04426	42.5
127.03912	37.1
128.04213	1.3
131.04933	2.2
135.04417	58.0
137.05957	6.4
139.03899	100.0
145.10110	1.3
147.04445	8.5
149.05981	3.0
151.03894	9.0
151.07504	1.5
153.06969	1.9
159.04448	3.4
160.05115	1.1
161.05969	5.8
163.03903	72.9
164.04332	1.4
165.04163	1.8
165.05495	24.1
165.06885	2.2
165.09131	3.9
167.03406	2.4
173.05966	2.4
175.03912	3.8
177.05473	6.8
179.03412	12.2
179.06972	1.9
179.10658	1.1
181.08592	72.4
183.10231	1.4
184.25130	1.1
185.05966	2.2
187.03853	7.0
187.07542	1.9
189.05484	5.5
191.03345	5.4
193.04929	2.4
197.06111	1.2
201.05516	4.0
203.03415	5.3
203.06926	2.6
205.04979	4.1
207.10147	25.8
211.22339	1.1
213.05452	6.2
215.03363	2.8
215.07007	2.1
217.04903	1.7
217.08588	1.8
219.10097	2.4
221.08057	4.0
225.05539	1.5
225.11215	45.2
229.04951	4.5
235.02350	3.5
237.11188	1.3
241.04993	4.9
243.06551	3.8
245.04387	3.4
247.02289	1.4
247.09572	1.4
253.05099	1.4
255.06534	6.9
257.04373	5.9
259.06006	3.0
265.05075	1.3
265.10757	3.9
269.04358	6.6
269.11606	1.4
270.05115	2.6
271.06052	9.5
273.07596	2.8
279.06543	1.6
279.09909	1.5
283.06039	17.5
283.09305	1.6
285.11081	1.5
287.05539	2.4
289.06995	10.6
297.07822	1.6
297.11179	3.1
299.05508	8.2
299.09106	2.5
299.12665	1.7
301.07071	8.9
301.10443	1.7
309.07788	1.8
309.11240	1.3
311.05640	1.6
311.09024	11.2
313.07217	1.6
313.10635	2.2
315.12277	2.1
325.07114	2.5
325.10678	20.7
327.08640	16.6
327.12158	2.1
329.10339	1.5
341.10239	4.3
341.13773	1.6
343.11752	66.1
343.58322	1.3
345.13287	2.6
351.12204	4.0
355.11719	13.4
367.11670	5.4
369.13327	27.2
373.12695	9.4
385.12878	5.8
387.14352	39.2
397.12582	3.0
409.08987	1.9
411.10306	1.5
439.20682	1.3
463.14047	8.0
489.15433	3.4
507.09555	1.9
507.16531	24.9
508.16440	1.5
525.16925	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.9
53.03942	2.1
55.01878	8.4
55.05502	2.8
57.03433	2.2
58.32172	1.5
59.11359	1.6
61.90823	1.5
65.03940	2.3
67.05502	7.5
68.99795	4.8
69.03431	3.6
69.07050	2.2
69.34767	16.8
73.56569	1.5
75.73853	1.5
77.03931	2.5
79.05502	2.6
81.03405	2.7
81.07055	2.8
83.04970	1.7
91.05488	5.7
93.07031	5.6
95.04956	14.0
95.08571	4.0
97.02927	1.8
97.06519	10.0
97.65910	1.5
98.21474	2.9
98.42723	1.6
99.32000	1.4
101.13244	1.6
105.03433	2.6
105.07022	3.7
107.04940	5.7
109.06626	1.6
109.10162	3.3
111.00806	1.8
111.04443	4.9
119.04927	2.2
119.08582	2.5
123.04428	83.8
124.04760	1.7
127.03944	11.1
131.04926	3.8
133.06485	2.0
135.04417	52.9
137.02350	2.7
137.05971	6.8
137.09595	3.1
139.03899	98.1
145.06497	1.9
147.04376	14.4
147.08076	3.6
149.06001	3.2
151.03908	10.7
159.04428	3.2
161.05968	3.6
163.02544	3.6
163.03899	66.9
163.07585	3.1
165.05521	20.8
165.06915	2.9
165.09122	12.3
167.03476	2.6
171.08052	1.8
173.05971	3.5
175.03957	10.4
177.05495	8.8
179.03403	10.2
181.06427	1.6
181.06979	2.4
181.08601	25.8
181.10094	1.4
183.10114	3.8
185.06000	3.6
187.03938	9.9
189.05501	5.5
189.40384	1.6
191.03392	8.1
193.04988	7.6
193.08633	2.5
197.05824	2.4
201.05476	9.2
203.03395	21.1
205.04953	4.1
205.08620	2.5
207.02913	3.6
207.10161	66.8
208.10368	1.9
209.05954	3.9
210.06812	2.0
213.05478	6.6
214.06558	1.8
215.03394	6.9
215.06947	2.6
217.05019	4.5
217.08653	2.2
219.10103	1.9
225.05426	3.3
225.11174	9.2
227.07048	4.6
229.05020	8.2
231.09885	1.7
233.04349	2.2
235.02338	13.7
237.05415	3.8
238.21857	1.7
241.04980	12.3
243.06473	1.7
243.10164	2.1
245.04497	10.7
245.11772	4.1
247.02388	4.4
247.05986	1.8
253.05025	2.1
253.08635	2.1
255.06546	6.3
255.10043	1.8
257.04471	11.7
259.05975	14.7
265.04947	4.3
266.05792	2.1
269.04474	20.9
270.05145	2.8
271.06006	19.5
271.09592	4.6
273.07471	3.7
279.06821	2.1
281.04367	2.2
283.06018	30.6
283.09265	2.8
285.11145	2.8
287.05423	10.9
294.05099	1.8
295.06015	3.3
297.04144	3.2
297.07639	7.3
297.11060	2.8
299.05560	25.8
299.09061	4.6
301.07056	20.0
301.10785	7.7
309.07840	2.6
311.05508	7.4
311.09045	39.6
311.12573	3.5
313.07010	6.7
313.10751	13.1
324.06277	2.2
325.07007	7.4
325.10699	20.3
327.08609	6.6
327.12192	3.3
337.07010	3.7
337.10757	7.0
341.10104	13.2
341.13733	2.8
343.11758	23.0
345.13379	14.2
351.12115	3.9
353.10129	3.8
355.11749	76.7
356.12003	2.8
367.11765	23.2
368.12195	1.9
369.13278	23.4
373.12820	32.4
379.11935	3.9
385.12808	16.5
387.07001	3.0
387.14294	8.3
397.12924	10.1
409.09073	6.3
411.10767	4.9
421.09274	6.0
447.10907	3.1
463.13766	32.2
475.13977	3.6
481.15115	3.2
489.15421	18.7
501.15475	2.2
507.16495	100.0
508.16663	3.1
519.16351	3.6
525.17462	14.1
633.20056	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.3
55.05507	5.7
57.28090	1.4
67.05505	2.6
68.99802	4.3
69.03413	1.8
69.48766	7.2
69.49203	4.9
72.41729	1.3
79.05511	2.7
81.03414	9.2
83.08597	1.6
89.03940	1.9
91.05466	2.7
93.07008	1.9
95.04952	6.2
95.08593	2.6
97.02866	1.7
97.06533	5.2
105.03426	1.7
107.04960	6.2
111.04417	2.9
119.04967	2.1
119.08574	1.7
123.04429	55.3
123.08041	2.0
127.03921	21.2
129.07013	2.1
131.08530	2.0
133.06578	1.5
135.04419	58.0
137.05989	3.9
139.03908	100.0
147.04407	7.2
149.05948	2.5
151.03923	9.2
153.06995	1.4
159.04466	2.3
161.06026	3.7
163.03915	79.0
165.05476	24.0
165.09189	1.5
173.05937	2.2
174.86288	1.7
175.03891	4.2
177.05460	4.7
179.03386	8.9
181.08594	49.6
183.10159	2.0
185.05972	3.3
186.40692	1.4
187.03967	4.9
189.05452	4.5
191.03317	3.6
193.04916	1.8
193.08652	2.1
193.12224	5.5
194.12604	1.9
197.05998	1.9
201.05486	6.9
203.03441	4.0
203.07005	3.1
205.04942	2.4
205.08490	1.6
207.06839	1.6
207.10193	12.3
209.05991	1.5
213.05513	3.5
215.03383	3.6
215.06950	2.6
217.04892	2.7
217.08557	2.0
219.10234	2.7
221.08131	2.2
225.11191	22.8
229.04976	5.1
235.02414	3.7
237.05539	2.2
240.04018	1.6
241.04869	8.4
241.72684	1.4
243.06575	3.1
245.04416	3.9
245.11865	1.8
247.06053	3.2
251.07047	1.8
251.57207	1.4
255.06641	6.6
257.04520	4.9
259.05994	9.1
259.09393	1.8
265.04910	1.9
265.10617	2.0
267.15961	3.7
269.04501	8.1
270.05109	2.3
271.06012	9.7
271.09470	2.1
272.39743	1.4
273.07568	4.8
281.04398	1.8
283.06058	22.7
283.09329	1.9
285.11127	1.9
285.16916	3.8
286.17340	5.0
287.05536	2.1
289.07117	6.3
297.07718	1.9
297.11133	3.5
299.05527	11.5
299.09052	3.4
301.07037	15.1
301.10712	7.8
303.08633	2.6
311.05469	4.9
311.09134	10.4
313.06912	4.1
313.10724	6.3
323.09140	2.6
324.20663	1.5
325.07089	3.3
325.10687	16.7
327.08673	13.9
337.10803	3.2
341.10034	6.7
343.11795	42.8
345.13388	10.8
351.12152	4.1
353.10095	3.1
355.11743	26.0
367.11694	12.7
369.13403	22.8
373.12958	6.8
385.12646	3.6
387.14349	22.7
411.10812	3.8
421.09155	2.8
447.10175	1.9
463.13950	19.6
475.13788	1.9
489.15317	11.8
507.09482	2.2
507.16589	27.0
525.17639	6.6
633.19781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	41.9
57.03434	24.6
59.09513	10.0
61.02930	30.5
62.71376	11.4
66.02025	10.3
66.16959	10.0
67.05520	67.2
69.03433	32.2
69.07050	23.4
73.02915	14.2
79.05491	47.8
81.03407	34.7
81.07058	65.6
85.02916	40.9
91.03960	18.7
91.05482	57.9
93.07043	46.7
95.08608	47.7
97.02888	23.3
97.06527	14.2
105.07041	51.9
106.89564	11.4
107.08595	40.3
109.10189	18.7
119.08579	54.2
121.10148	33.5
131.08533	38.8
133.10124	40.8
135.11719	29.3
137.45976	11.0
143.08598	11.7
145.04988	16.6
145.10117	18.4
147.11691	18.6
149.13283	15.9
156.67371	13.4
157.10115	22.4
159.11603	12.3
161.13274	20.0
175.14868	15.4
195.11696	11.8
219.17441	15.6
220.17892	26.2
241.19557	27.1
259.20612	49.3
276.20605	13.3
351.25308	100.0
375.25305	11.4
566.65271	13.6
675.22736	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	675.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	3.4
53.00286	3.3
53.03942	15.8
55.01865	13.9
55.05508	25.3
56.96566	2.8
57.03435	28.5
57.07055	5.2
61.02923	31.6
65.03911	4.0
67.05502	69.6
69.03425	62.4
69.07070	28.0
71.01360	5.5
71.04973	13.4
71.08619	12.0
71.58562	3.2
71.58958	3.0
73.02907	15.5
75.48375	2.9
79.05052	5.5
79.05484	50.2
79.40314	3.2
81.03414	100.0
81.07056	92.0
83.04971	35.0
83.08620	25.0
84.08110	3.8
85.02898	63.1
85.06531	5.5
87.04444	5.3
87.05581	10.5
91.03948	9.9
91.05479	50.3
93.07038	65.3
95.04964	25.2
95.08601	37.5
97.02888	70.5
97.06516	11.0
97.10167	9.1
99.04466	18.9
99.08102	12.7
101.02370	11.2
103.03923	11.8
103.83867	3.0
105.07018	37.6
107.04980	17.3
107.08603	41.5
109.02874	31.9
109.06509	8.0
109.10162	19.4
110.76900	3.0
111.04427	17.2
111.08051	9.8
113.09622	4.0
115.03937	4.4
115.05450	6.7
117.07007	18.0
119.04911	3.8
119.08585	29.0
121.06496	7.4
121.10142	23.9
123.04424	5.1
123.11705	5.9
125.09631	7.5
127.03913	50.3
129.05481	19.0
129.07005	11.4
131.04868	7.8
131.08560	23.1
133.06471	11.1
133.10153	21.1
135.08073	6.4
135.11671	17.8
137.09621	5.6
137.13243	4.1
143.08565	9.1
145.04951	14.4
145.10114	8.9
147.08069	4.2
147.11659	15.0
149.13266	24.4
151.11185	14.2
155.08536	3.9
157.10141	8.3
159.08078	3.6
159.11685	16.3
161.09691	5.5
161.13257	11.2
163.11147	5.2
163.14790	3.4
165.05484	13.6
165.12804	5.7
167.08441	3.1
171.06458	5.1
171.11617	5.9
173.04492	24.4
173.13292	6.6
175.07518	3.2
175.11205	5.2
175.14836	3.5
177.12775	12.9
179.14377	7.6
183.06508	17.3
183.11554	4.3
187.05876	3.9
187.07530	5.4
189.11279	4.4
195.13776	22.2
201.07584	8.2
201.12665	3.1
203.14232	4.9
213.14812	7.6
216.07536	5.4
219.13675	4.9
221.11772	15.4
227.12762	4.3
229.14340	5.3
231.21121	5.6
233.15318	5.1
241.19440	4.4
249.14952	5.1
259.20508	5.5
261.14795	8.6
267.15976	4.8
269.17444	52.8
275.16562	4.6
277.21628	48.7
282.91336	3.8
293.17328	3.8
294.28836	3.5
295.22675	5.2
303.15808	13.6
321.16843	5.3
333.24475	3.8
335.18576	7.7
339.18036	12.8
351.25238	79.9
353.19931	4.1
369.26172	6.5
375.25369	5.2
377.19449	5.9
395.20721	14.0
395.77087	3.2
413.21582	41.4
421.25992	4.9
448.18805	4.1
495.29190	13.1
513.30475	5.8
631.23676	6.0
675.22711	9.5
675.34186	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	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90639	0.5
67.05491	0.6
69.92137	1.1
69.92551	2.1
80.63390	0.5
93.07050	0.6
98.21422	0.7
109.06490	0.6
133.29150	0.6
144.78705	0.6
152.26096	0.6
292.35403	0.6
453.15695	1.6
454.16403	1.7
455.17487	0.7
466.13364	0.6
467.12656	0.9
467.18231	1.1
468.13818	4.3
469.14685	9.1
470.15314	2.8
471.16840	1.5
481.15100	2.2
482.15765	13.2
483.16583	12.5
484.17148	2.5
485.18500	1.3
495.16870	3.6
496.17532	6.4
497.18201	49.7
498.18869	6.4
499.20230	1.2
501.17889	0.7
510.19336	3.1
511.19745	7.6
512.20319	1.5
515.19513	3.8
525.19238	0.5
528.16412	3.2
529.17377	0.7
533.69788	0.6
538.20135	1.1
541.17139	1.4
542.18042	4.2
543.18756	0.7
555.18573	3.2
556.19775	2.9
557.20331	3.6
569.20319	0.9
616.20898	1.2
617.22333	0.7
643.23846	6.5
644.24585	8.5
645.23309	0.9
657.14813	1.1
657.25458	8.0
658.26270	0.9
660.24561	1.1
675.26569	100.0
676.26764	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	668.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01874	2.4
55.05505	7.7
57.03434	13.2
59.05002	4.1
65.03948	1.4
67.05504	71.4
68.05814	1.8
69.03421	1.9
69.07054	4.0
69.28022	12.4
69.28429	3.6
71.04990	3.6
79.05499	8.0
81.03416	48.1
81.07052	15.1
83.04969	3.9
83.08620	13.9
84.75688	1.4
85.02888	3.5
85.06550	3.0
91.05460	13.9
93.06553	1.3
93.07037	9.0
95.04958	19.0
95.08592	5.9
97.02888	3.0
97.06544	2.6
98.00629	1.3
105.07030	8.1
107.04955	5.4
107.08595	4.6
109.06485	2.2
109.10153	73.4
111.04433	2.9
111.08094	6.9
119.04917	1.6
119.08581	11.8
121.06454	2.1
121.10109	4.1
129.06993	6.4
131.08537	4.4
133.06497	2.4
133.10124	4.6
134.07132	1.4
137.09633	4.1
145.10081	1.8
147.08051	2.4
147.11749	4.3
149.09579	3.5
155.10663	3.5
157.10091	7.8
165.12746	1.5
173.11746	20.2
175.11189	6.1
182.37421	1.5
187.05849	1.6
193.12245	19.1
229.14340	100.0
249.14928	1.5
267.15903	84.7
268.16302	2.8
279.13074	1.5
292.10367	1.4
315.94922	1.4
327.75238	1.7
329.21124	2.8
393.30750	1.6
403.24908	9.2
421.25821	99.6
422.26077	2.0
463.26620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47126	2.3
53.03955	6.3
55.01858	8.9
55.05507	26.7
57.03434	22.4
59.04987	3.0
61.02898	3.4
62.46631	2.3
64.16501	2.3
67.05503	100.0
69.03426	26.2
69.07064	9.8
71.04984	10.3
71.59390	4.5
73.02916	4.7
76.58250	2.5
76.74657	2.7
79.05495	18.2
81.03421	46.4
81.07059	34.4
83.04977	10.0
83.08614	15.7
85.02907	15.4
85.06573	4.2
91.05476	19.8
92.98557	2.5
93.07028	12.3
95.04945	4.7
95.08605	15.5
97.02892	26.7
97.06520	3.5
97.10175	12.8
99.04440	8.9
103.03950	3.5
105.07047	8.3
107.04967	3.4
107.08600	9.1
109.02891	8.2
109.06512	3.4
109.10156	77.5
111.04496	4.5
111.08097	3.4
119.08589	8.6
121.10210	2.7
125.09621	15.8
127.03927	15.4
129.05470	11.1
129.06946	3.1
131.08511	7.2
133.10146	3.8
137.09595	3.4
143.07043	4.2
145.06485	3.0
147.11688	5.4
149.09622	3.1
155.10623	4.8
173.04471	24.4
173.11752	33.8
195.13831	3.8
209.11760	2.8
227.12785	4.0
229.14343	64.1
367.22665	4.9
459.27499	6.4
671.36139	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	673.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92682	3.4
53.03950	17.2
55.01872	14.6
55.05520	29.4
56.97023	2.7
57.02972	3.0
57.03440	29.8
61.02922	28.2
65.03926	6.9
67.05510	74.7
67.05849	3.0
69.03432	66.7
69.07067	18.5
71.01357	6.2
71.04995	11.7
71.58902	3.3
73.02905	18.2
73.34618	3.2
79.05495	59.4
81.03418	85.2
81.07059	100.0
83.04974	28.9
83.08616	22.9
85.02903	66.1
85.06544	6.3
86.57285	3.2
87.04477	4.5
89.09216	2.9
91.03963	14.7
91.05481	55.8
91.06430	3.6
93.07045	64.6
95.04974	27.3
95.08616	38.9
97.02889	78.1
97.06546	12.2
97.10200	4.8
97.60130	3.7
99.04433	24.1
99.08082	4.2
101.02377	9.7
103.03944	12.2
104.16875	3.2
105.07034	53.1
107.04958	13.9
107.08601	44.0
109.02879	26.7
109.06521	13.3
109.10154	24.1
111.04453	14.0
111.08053	10.2
115.03983	4.3
115.05523	6.0
117.07026	24.4
119.05010	5.9
119.08583	30.7
121.06531	11.2
121.10157	21.4
123.04468	11.7
123.08099	8.8
123.11727	8.2
125.09640	6.7
127.03915	38.7
129.05473	11.8
129.06978	15.8
131.08568	32.8
133.06522	6.5
133.10124	33.7
135.04437	3.9
135.08057	14.6
135.11703	17.8
137.05978	8.9
137.09645	5.1
139.11206	4.8
141.07028	4.0
143.08595	9.3
145.05011	11.5
145.06494	5.4
145.10115	25.0
147.04359	3.8
147.08052	6.3
147.11703	24.9
149.09642	12.2
149.13272	20.3
151.11211	5.0
155.08527	4.7
157.10150	9.5
159.08029	4.4
159.11665	25.6
161.09602	3.8
161.13330	7.2
163.11250	10.8
165.12720	4.8
167.07040	15.2
171.11752	9.7
172.42775	3.2
173.04425	22.2
173.13275	9.1
175.11247	7.4
177.12766	15.9
179.08696	3.7
183.06549	6.5
183.11717	5.7
187.11267	5.3
187.14851	5.1
189.12761	3.5
191.10655	3.4
191.14302	4.8
193.12195	5.5
195.12209	3.7
195.13799	22.5
197.13179	4.4
201.07603	4.0
201.12711	5.2
205.08665	6.2
209.08182	4.1
213.09264	3.6
213.14809	6.6
219.13762	5.6
229.19382	3.8
239.18134	3.8
247.20766	4.1
257.19086	13.3
268.99536	6.5
269.17447	38.8
273.15271	4.3
275.16681	5.9
275.20041	62.1
275.22769	5.1
285.14832	5.1
286.86423	3.4
287.05493	5.0
293.21130	6.6
303.15988	7.3
333.17416	5.0
335.18649	5.3
339.18079	9.2
349.23721	45.9
357.13593	4.4
367.24695	6.9
377.19730	6.4
391.25116	6.8
395.20648	11.4
413.21799	34.8
419.24457	4.8
424.06271	4.2
425.06665	6.2
426.06317	4.3
477.28485	15.2
493.27945	11.9
511.28882	9.4
673.33887	13.9
673.82928	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	665.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.09612	0.6
55.05513	1.3
57.03424	1.7
61.02927	3.1
61.46778	0.6
67.05501	5.5
69.03442	3.6
69.07062	1.7
71.58745	1.0
73.02921	3.1
79.05493	3.9
81.03425	2.3
81.07052	4.3
83.04973	1.1
83.08625	1.6
84.65090	0.7
85.02910	5.6
87.04440	1.2
91.03983	3.2
91.05480	2.3
93.07071	4.2
93.07549	0.6
93.85367	0.5
95.04974	1.1
95.08613	2.4
97.02349	0.9
97.02908	5.5
97.06558	1.3
99.04459	1.0
101.02374	1.9
105.07046	2.0
107.04926	0.7
107.08601	3.2
109.02921	1.2
109.10148	1.4
115.03913	1.4
117.07036	1.5
119.04939	1.2
119.08638	1.3
119.25012	0.6
121.06496	0.8
121.10173	1.4
123.08063	0.8
127.03941	1.6
128.06160	0.8
130.00566	14.3
131.08568	1.1
133.05003	1.2
133.10159	1.4
135.04396	0.8
135.11717	1.2
137.02364	0.9
145.06569	0.9
146.00020	4.4
147.04424	2.4
147.07999	1.2
149.09697	0.8
149.13315	1.4
159.11665	1.0
173.06026	0.8
177.12770	0.9
185.06029	1.1
189.09184	1.1
195.13811	0.8
201.05493	1.0
235.13156	1.8
243.08463	2.4
269.17484	0.9
372.10001	1.6
440.88989	0.8
453.20972	14.6
469.09277	0.7
469.16595	0.7
523.29657	0.8
665.35059	100.0
666.35547	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	663.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13345	1.4
57.07078	52.3
63.35189	1.6
67.02507	1.8
91.05483	6.1
99.46368	1.7
101.15110	1.6
147.11693	7.1
152.21834	1.6
153.07011	4.7
182.84573	1.7
233.03687	5.4
251.04643	17.5
307.10880	2.1
327.07791	100.0
328.07837	1.8
383.14059	80.8
439.20322	65.1
440.20499	3.0
483.79279	1.8
495.26596	86.4
496.27078	2.2
551.32837	94.2
552.32666	3.0
554.59357	1.8
607.39099	55.8
608.39014	2.2
663.45331	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	664.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22281	1.1
55.05503	5.8
56.79993	1.2
57.03442	11.1
57.07075	25.5
57.42899	1.1
59.04987	2.7
61.02914	3.7
65.20547	1.1
67.05503	67.8
69.07078	6.5
70.84962	3.3
71.04980	1.3
71.08629	17.8
71.16801	1.0
73.02894	1.4
73.96520	1.0
75.31096	1.2
81.07055	13.9
83.08616	11.7
85.02884	4.0
85.06537	2.3
85.10170	11.1
87.04490	1.2
88.99963	1.0
89.06013	1.9
91.03984	1.4
91.05479	3.4
93.07014	1.4
95.08611	15.1
97.10162	2.5
109.10154	69.9
119.08574	3.2
123.11695	2.8
137.09621	2.2
137.13266	1.8
155.10675	2.3
173.11737	21.0
207.32497	1.1
221.22293	1.3
229.14346	100.0
239.23798	2.7
241.16872	1.1
257.24768	1.5
313.27347	82.1
314.27670	1.6
315.28519	1.1
330.37857	1.3
467.37302	59.3
503.96454	1.2
635.26233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54166	0.6
55.05446	0.9
56.96472	14.4
56.96787	3.5
67.05393	2.2
69.03336	1.0
69.48058	5.9
71.95186	1.2
74.97543	0.9
79.05405	1.2
81.03342	1.1
81.06974	1.6
85.02730	0.6
91.05366	1.3
93.06956	1.5
95.08525	0.9
105.06946	1.3
107.04827	1.3
107.08514	1.0
109.10059	1.1
121.10019	0.9
127.03734	0.6
128.98547	1.1
133.06360	0.8
133.10005	0.8
146.99553	1.3
147.03137	0.9
147.04274	0.9
149.05836	0.9
155.03671	1.2
157.01619	0.7
159.03233	1.5
161.02258	0.7
167.03679	0.8
171.03224	1.0
179.05705	0.7
181.05197	0.7
185.04794	1.9
189.04286	2.1
189.07848	1.1
199.06357	3.4
201.07904	1.8
203.05771	2.2
203.09366	0.9
211.06223	0.9
213.07988	3.5
215.09415	1.4
217.07478	6.9
219.08882	1.2
223.10065	0.9
225.07860	1.9
227.09407	2.0
229.07414	1.3
231.08975	4.0
237.08034	0.9
239.09427	1.5
243.09001	1.5
243.12720	0.9
245.10777	1.6
253.11066	1.5
255.08966	1.6
257.10504	1.7
267.12689	1.0
269.10568	2.2
269.14294	0.9
271.12119	1.4
273.10104	1.1
283.12082	0.8
285.10022	0.9
287.11484	1.0
291.19415	1.6
295.12320	1.4
295.15811	1.2
297.62622	0.7
307.19583	1.1
309.17188	0.9
313.13242	0.8
315.16522	0.9
333.17355	21.9
351.18417	100.0
352.18719	1.9
369.19495	99.9
370.19846	2.2
374.19974	10.2
387.20587	2.6
392.21057	14.3
393.21143	1.1
408.90271	0.7
455.00928	0.7
467.89810	0.7
560.45148	0.8
645.40948	2.8
663.41772	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	663.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09898	0.6
50.13094	0.5
55.05417	0.7
56.96456	6.2
56.96779	2.1
57.03334	0.7
67.05382	2.8
69.03341	0.8
71.95145	1.8
74.97512	0.9
79.05395	1.3
80.29198	0.6
81.03285	1.7
81.03746	0.5
81.06920	2.2
81.07360	1.1
84.95930	1.2
91.05327	1.9
92.44001	0.6
92.98540	0.6
93.06948	1.4
95.08524	1.2
95.09083	0.8
97.02795	0.7
105.06886	1.9
107.04811	0.5
107.08458	1.0
109.02737	0.6
109.10001	2.0
110.97460	2.6
116.98477	0.8
119.08449	1.0
121.06413	0.9
121.10062	0.6
127.03767	0.6
128.98608	4.6
129.99234	2.3
131.08435	1.1
133.06317	0.8
133.10022	1.2
134.99529	0.6
143.00041	1.3
146.99649	7.3
147.04282	1.4
148.00395	4.0
149.01141	0.8
157.01750	0.7
160.00282	2.7
161.01027	2.4
161.09541	0.7
165.00623	1.2
166.01385	1.6
171.03171	1.5
178.01286	1.1
183.03210	1.1
184.04044	0.8
185.04793	1.2
189.04349	4.0
197.01237	2.9
199.02762	0.7
199.06432	3.9
201.00562	2.4
201.04262	1.1
201.07932	0.8
202.04968	2.0
203.02200	1.2
203.05853	3.8
204.02925	0.8
211.02647	0.8
211.06267	1.6
212.03555	0.6
213.07787	2.1
215.02275	10.9
215.05722	0.9
217.03806	1.0
217.07494	5.9
219.01611	0.7
219.08929	0.7
222.07713	0.6
227.05986	4.5
227.09436	0.9
228.06642	1.4
229.03812	1.4
229.07460	7.0
229.82555	0.7
231.08881	2.6
233.03224	1.4
236.01759	0.7
239.05908	5.4
240.06735	3.5
243.12646	0.6
244.06123	1.3
245.06906	4.3
247.08492	5.8
252.09047	1.0
257.06958	21.5
258.07742	17.4
259.08432	1.1
262.07111	0.8
272.05676	1.3
275.07977	5.8
276.08795	14.1
280.08429	2.1
281.09210	2.5
290.06732	1.4
291.16458	0.9
291.19391	1.2
299.10318	1.1
309.17276	5.3
310.86072	0.6
315.16278	0.7
327.18582	0.8
333.17307	14.1
337.27411	1.4
339.18698	1.0
351.18387	44.1
357.04999	0.6
367.56253	0.7
369.19479	100.0
370.19769	1.1
374.20026	3.2
387.20529	11.3
392.21054	19.8
392.26172	1.0
425.29050	0.6
501.30438	0.7
541.91486	0.6
543.23596	0.8
645.40198	1.7
663.32440	3.5
663.41754	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	663.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94753	0.6
67.05501	0.9
70.07262	1.1
70.07668	2.2
79.05500	1.2
81.07043	1.0
85.02940	0.6
91.05469	1.6
93.01952	0.6
93.07046	1.3
95.08615	0.9
96.31007	0.5
98.20805	0.6
109.10156	1.0
112.03986	1.0
133.96933	0.6
135.04446	0.7
163.03943	2.8
203.05397	0.7
243.08548	1.0
271.06168	1.3
309.07431	0.7
323.09344	1.0
337.10596	1.0
379.15469	2.0
422.90128	0.6
445.25467	2.1
483.17416	0.7
498.17795	1.1
499.18036	3.1
501.28241	1.9
558.19641	1.8
599.20270	1.0
631.22552	7.6
663.33612	100.0
664.34375	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	663.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41652	1.5
53.03940	6.3
55.01872	2.3
55.05516	21.2
57.03445	21.6
57.07072	10.8
61.02925	76.9
64.06026	1.6
65.03943	1.5
67.05500	27.4
69.03431	32.0
69.07066	32.4
69.95543	10.0
70.30997	1.6
70.38776	1.6
71.01346	3.6
71.04984	6.7
71.08641	3.9
73.02924	26.2
77.56927	1.6
77.71786	1.8
79.05489	11.8
79.20542	1.6
81.03420	29.9
81.07059	32.3
81.89465	1.8
83.04977	3.5
83.08620	22.6
83.35838	1.4
85.02904	100.0
85.10136	3.1
87.04451	6.7
89.46808	1.4
91.03953	55.9
91.05479	6.2
93.07027	11.2
95.04979	3.2
95.08604	30.8
97.02892	81.9
97.06551	4.5
97.10181	15.0
98.20810	3.3
98.98467	3.3
99.04437	15.7
101.02364	9.6
103.03942	11.8
103.90211	1.5
105.06995	2.7
107.08608	10.1
109.02873	16.8
109.10159	14.0
111.04436	4.0
111.08097	3.4
111.11728	5.6
115.03931	4.8
117.05513	2.7
121.06479	1.8
121.10157	18.0
123.11710	3.8
127.03917	36.1
129.05508	9.1
131.08478	1.9
133.06500	2.0
133.10065	2.3
135.11690	16.4
137.13301	2.7
145.04961	24.0
149.13243	6.9
151.14780	3.1
153.12741	1.7
155.01039	2.4
159.06549	2.7
163.06021	6.1
163.14754	2.8
165.16385	2.8
171.06584	2.7
183.06522	11.6
201.07527	7.8
247.24237	8.8
265.25281	18.9
331.26297	2.2
337.27310	8.0
339.28946	95.5
367.28323	4.2
373.27283	4.3
409.29379	2.8
447.31091	4.4
465.32144	4.6
483.33276	10.4
559.32965	2.0
663.38000	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01866	0.8
55.05518	0.3
57.03430	1.3
61.02918	1.9
67.05509	0.5
69.03429	6.8
71.01410	0.3
71.04980	0.9
71.59497	0.5
73.02916	0.9
78.03451	1.5
79.05510	0.8
81.03422	3.9
81.07055	0.8
83.04964	0.6
85.02903	27.0
86.16940	0.3
87.04472	0.7
91.03952	1.3
91.05479	1.1
93.07057	0.5
96.04490	100.0
97.02888	7.7
97.04829	0.6
99.04449	1.2
105.07047	0.9
107.04967	1.5
109.02887	5.8
109.10163	0.7
109.35279	0.4
112.03952	0.8
117.07021	1.7
119.04942	2.7
121.06547	0.4
127.03922	5.6
130.53279	0.4
131.08490	0.4
133.06520	0.7
134.07289	3.5
135.08034	1.9
136.07590	1.2
145.04953	6.4
145.06493	1.3
161.06224	0.4
163.06010	0.9
173.06003	1.2
201.05470	6.6
220.42053	0.4
243.10179	6.0
255.56085	0.4
338.13858	37.7
339.14117	0.9
500.19177	1.1
662.32587	1.7
668.13837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01867	1.0
57.03431	1.0
57.23169	0.8
60.61683	0.7
61.02914	0.7
61.98095	0.6
67.05499	1.1
69.03420	2.7
69.07050	0.6
71.05029	0.6
71.59205	0.9
72.08126	0.8
74.65466	0.6
77.03925	1.2
79.05477	1.4
81.03391	2.1
84.04575	0.7
85.02904	11.4
87.04467	0.8
91.00921	0.6
91.05466	4.3
91.05933	0.6
91.67860	0.7
93.07066	1.0
94.04213	0.7
95.04945	3.7
97.02885	4.6
103.05448	0.8
105.04494	0.8
105.07040	12.4
106.07900	0.7
107.04943	2.1
109.00974	0.7
109.02878	1.6
112.03964	100.0
115.05458	3.0
117.07026	0.8
117.45078	0.6
119.04935	18.6
119.32687	0.7
121.06543	0.7
123.04414	0.9
124.84370	0.6
127.03899	3.8
128.06203	1.5
129.07002	16.2
130.07397	0.9
131.04887	0.8
133.06483	9.8
134.07268	29.6
136.06194	1.0
141.07002	5.1
145.04947	3.0
152.07076	12.4
153.07011	1.0
157.06538	3.0
166.07814	1.4
169.06465	0.9
170.07283	0.9
171.08069	1.1
177.00705	0.6
181.06500	1.4
185.05974	39.3
186.06650	2.3
194.07251	1.7
198.06827	0.9
199.07571	5.6
199.11246	1.8
207.10048	0.7
209.09610	2.0
212.08299	1.4
227.10654	40.5
228.11023	1.2
277.65594	0.6
299.74023	0.7
338.13852	62.3
339.14249	0.9
500.19199	1.0
528.80359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03930	1.9
55.01867	2.2
55.80938	0.3
57.03432	4.1
61.02927	5.4
69.03426	16.1
70.14211	1.5
70.75516	0.3
70.85165	0.3
71.01357	0.5
71.04981	2.1
73.02918	2.3
78.03436	1.6
81.03412	9.7
83.01324	0.6
83.04959	0.5
85.02902	58.1
86.03249	0.5
87.04470	1.8
91.03967	1.8
91.05467	1.8
95.04972	0.6
96.04487	100.0
97.02885	18.6
97.03517	0.9
97.04802	0.8
98.21426	0.4
99.04443	3.2
101.02372	0.4
103.03937	0.4
103.05459	0.4
105.07024	0.8
107.04951	4.5
108.04497	0.4
109.02874	19.0
115.03913	1.2
115.05447	0.6
117.07024	1.8
119.04931	4.5
119.25623	0.5
123.14102	0.4
127.02971	0.7
127.03903	14.1
128.06248	0.7
129.07014	0.9
131.04955	0.5
133.06483	1.2
134.07262	6.8
134.08281	0.5
135.08052	7.5
135.45567	0.4
136.07571	24.5
137.07938	0.5
142.58597	0.4
143.03044	1.1
145.04955	12.3
145.06476	2.1
149.06015	0.8
156.88222	0.4
163.06024	1.5
167.03381	0.8
173.05963	1.8
196.84102	0.4
201.05447	10.8
243.10165	11.8
244.10457	0.6
338.13843	88.9
339.14368	1.9
383.96851	0.4
387.17230	0.4
423.70895	0.4
500.19214	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02375	0.7
53.03948	0.9
55.01881	0.9
57.03436	2.1
59.05006	0.3
61.02925	2.6
69.03429	10.4
70.99538	0.4
71.01342	0.4
71.04998	1.2
73.02921	1.1
78.03447	1.7
81.02977	0.3
81.03421	4.6
83.01347	0.3
83.04989	0.3
85.02905	32.2
87.04464	0.9
91.03958	1.1
91.05498	0.5
96.04490	100.0
97.02890	11.3
97.04856	0.6
99.04456	1.3
103.03896	0.3
105.07020	0.4
107.04939	1.0
109.02127	0.4
109.02881	6.6
111.04387	0.4
115.03940	0.3
115.43367	0.2
117.07007	1.0
119.04944	2.2
121.02865	0.3
123.04442	0.3
127.03917	8.9
131.04942	0.2
133.06519	0.3
134.07283	2.3
135.08060	1.6
136.07574	1.7
145.04959	8.0
145.06467	1.0
149.05923	0.5
157.06567	0.2
163.06027	0.8
173.05977	0.9
198.16563	0.2
201.05469	5.2
223.06009	0.2
243.10187	5.6
244.10597	0.2
259.27124	0.2
316.76443	0.2
328.14786	0.2
338.13861	33.6
339.14258	1.0
500.19257	2.6
510.42337	0.2
524.34772	0.2
587.47601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
54.01507	1.6
55.01852	4.8
55.05506	16.9
57.03438	25.2
57.07073	4.5
60.38066	1.8
61.02924	90.0
65.03922	3.7
67.05503	43.3
68.19274	2.2
69.03424	37.0
69.07063	22.1
69.79976	3.6
69.80381	9.6
71.01358	3.3
71.04993	4.4
71.08627	2.6
73.02916	27.2
75.04489	2.5
79.05484	14.7
81.03413	30.7
81.07055	49.6
83.04985	4.7
83.08615	9.9
85.02905	100.0
85.06525	2.6
85.10141	2.5
87.04459	5.9
91.03949	66.4
91.05497	10.0
93.07030	19.3
94.65514	2.0
95.04937	3.6
95.08595	39.7
97.02888	91.3
97.06475	2.4
97.10160	7.9
99.04425	10.8
99.08112	1.9
101.02371	10.0
103.03911	8.1
105.07010	7.3
107.04973	2.0
107.08601	10.8
109.02885	15.8
109.06519	2.2
109.10152	14.1
111.04440	2.9
111.08102	1.8
115.03891	7.7
117.05466	2.7
117.07035	2.1
119.08590	7.9
121.10161	10.0
123.11681	6.2
127.03912	43.7
129.05453	5.9
131.08557	3.4
133.10107	7.9
135.11705	5.3
137.09599	2.7
137.13269	4.3
145.04956	26.9
145.10118	4.6
147.11693	5.6
149.13213	4.7
151.14824	2.9
154.07640	1.8
159.06569	2.6
159.11722	3.0
161.13231	5.4
163.06018	6.6
163.14777	4.2
165.12787	2.2
175.14752	3.0
177.16370	1.9
183.06541	5.8
201.07608	5.3
245.22745	9.6
263.23792	14.8
271.17105	2.0
305.24506	3.7
308.30655	2.0
317.24820	2.1
337.27368	78.4
338.27789	2.0
353.24887	2.9
365.26843	3.8
371.25638	3.8
379.28259	2.1
421.24304	1.9
445.29391	4.3
463.30362	2.0
481.31335	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	661.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07068	0.7
67.05496	1.1
69.03436	0.9
69.73138	0.8
71.59686	1.0
79.05479	1.1
81.07030	1.2
83.08646	0.8
91.05423	0.9
93.07023	0.9
105.07000	0.8
107.70203	0.7
127.03906	0.8
129.19504	0.8
174.68303	0.8
211.72711	0.8
216.49301	0.8
411.14523	1.8
413.15973	2.1
425.16055	3.1
426.17200	1.7
428.14774	1.3
430.16281	1.0
439.13385	1.4
440.13824	1.6
440.18924	2.6
441.15512	3.7
442.16211	1.7
443.17014	2.1
452.14301	1.0
453.15714	7.1
454.16272	5.0
455.17026	3.8
456.18176	5.0
457.19257	1.4
467.12048	1.1
467.17184	3.4
468.18460	11.5
469.19308	10.5
470.19217	2.7
471.16098	1.3
471.20544	1.7
472.17401	2.4
481.15045	3.9
482.15796	4.7
483.15717	3.8
486.18747	2.3
495.16544	3.7
496.17270	10.1
497.18204	23.2
498.18610	3.9
499.15955	2.9
500.16425	1.1
511.19650	2.5
513.17896	4.5
514.18365	6.6
515.18988	3.7
523.19556	1.1
524.16748	15.3
525.16656	1.7
528.20044	5.9
529.21027	4.4
530.21295	2.5
551.18774	1.4
553.20465	3.1
554.18176	1.1
555.18555	2.3
556.19519	8.4
557.20776	2.6
569.20593	8.7
570.20624	1.9
579.19019	1.0
585.23022	1.1
587.21118	4.2
597.19928	16.7
598.19812	1.5
600.18195	1.2
601.23059	3.1
611.21954	0.9
614.19543	1.1
615.20654	1.2
629.22437	100.0
630.22717	8.0
661.24683	43.0
662.24866	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82425	0.7
53.03938	1.6
55.01876	1.7
55.05505	6.6
56.96566	2.0
57.03427	3.9
58.57228	0.8
59.04998	6.3
60.27266	0.8
60.52538	0.8
61.02917	2.0
65.03957	1.4
67.05501	27.2
69.03406	1.3
69.07072	9.3
69.66198	6.5
71.04993	1.7
73.02928	1.1
79.05059	1.5
79.05489	18.5
81.03419	3.9
81.07053	38.6
83.04986	2.6
83.08618	8.2
85.02898	2.4
85.06531	2.6
91.03970	0.9
91.05482	13.9
93.07039	27.4
95.04963	3.4
95.08598	11.0
97.02877	1.7
97.06521	5.9
97.10154	2.2
99.08094	1.6
103.07579	2.2
105.07016	7.8
107.08593	15.5
109.06522	1.9
109.10157	3.0
111.08109	2.9
117.07009	6.8
117.09129	2.0
119.02374	0.9
119.08581	4.4
121.06515	2.7
121.10144	10.2
123.08089	1.2
123.11738	2.2
127.03889	1.4
129.06992	2.8
131.08572	7.0
133.10126	8.6
135.08028	1.8
135.11644	6.2
143.08598	1.8
145.10107	3.1
147.11752	1.6
149.13255	12.1
151.11116	1.1
157.10251	1.3
159.11679	8.8
163.11249	0.9
169.10155	1.1
171.03261	0.9
171.11667	1.5
173.13260	0.9
177.12752	3.0
181.10182	1.1
195.13770	7.0
237.07513	1.4
240.36096	0.9
251.16331	1.1
255.09145	1.2
269.10391	1.2
269.17462	23.4
325.25183	1.1
335.23746	0.9
339.18320	1.1
349.16693	1.8
350.17126	3.9
353.24744	2.6
367.17767	1.7
368.18399	2.0
371.25745	2.6
376.74554	0.9
389.26672	2.2
427.28363	1.2
445.29544	13.0
463.30527	100.0
464.30869	2.7
481.31540	1.5
607.34485	3.5
650.00024	0.9
661.15088	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	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01878	1.5
55.05511	7.4
57.03436	5.0
57.07099	1.1
61.02922	2.1
65.03947	0.7
67.05507	31.8
67.67141	0.7
69.03413	1.4
69.07066	11.5
71.04978	2.1
71.08636	0.8
71.59113	1.0
73.02901	1.1
79.05496	16.9
81.03429	3.6
81.07059	46.0
83.04974	2.7
83.08621	8.6
85.02905	2.5
85.06554	2.9
91.03941	0.9
91.05487	13.3
93.07045	28.6
95.04980	4.1
95.08609	12.5
97.02895	1.9
97.06528	6.2
97.10176	1.2
99.08096	1.3
101.06042	0.8
105.07029	7.7
107.04947	0.9
107.08598	17.3
109.06509	1.6
109.10150	3.7
111.08097	4.0
117.07032	6.8
119.08585	3.2
121.06485	1.8
121.10158	8.5
123.08029	0.8
123.11717	2.1
129.07030	2.5
131.08578	7.6
133.10135	8.9
135.08008	1.5
135.11699	5.2
137.09564	0.8
143.08586	1.5
145.10100	2.3
147.11711	1.4
149.09584	0.7
149.13268	11.9
155.08536	1.0
157.10176	1.6
159.11740	8.9
169.10124	0.9
171.11697	0.8
177.12758	2.8
185.13315	0.9
195.13812	6.8
213.14787	1.0
251.16348	1.8
269.17468	26.2
303.94055	0.9
353.24817	1.7
371.25903	1.9
385.15149	0.8
389.26755	1.0
445.29538	11.3
463.30573	100.0
464.30997	3.0
481.32071	1.0
607.34668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.1
56.96567	44.1
61.02927	2.8
67.05495	4.2
69.03423	2.0
69.07059	2.1
69.71159	7.8
71.95261	4.2
72.96047	1.5
74.97590	1.5
79.05489	3.7
81.03402	3.2
81.07056	5.9
83.04990	1.6
85.02896	2.6
91.03944	2.0
91.05477	2.8
93.07035	3.4
95.04993	1.8
95.08599	3.2
97.02864	1.8
98.20755	2.2
98.97586	2.0
105.06998	1.7
107.04938	1.2
107.08575	2.1
109.06539	1.3
109.10154	2.5
110.97565	1.1
116.98626	1.8
119.08552	2.8
123.01237	1.5
127.03893	1.0
128.98631	3.1
133.01685	1.9
133.10114	1.7
134.99632	1.8
137.02710	1.9
141.02214	1.7
145.01753	1.3
146.99666	5.6
155.03795	3.6
157.01755	2.7
161.01303	1.2
165.00684	1.9
167.03766	1.7
169.01706	1.3
169.05325	1.7
169.79848	1.0
171.03320	4.3
173.04849	1.6
179.05931	1.4
185.04813	4.9
187.06389	1.7
189.04364	7.2
191.05898	1.8
195.06906	3.1
197.08559	1.5
199.06410	8.4
201.04311	1.8
203.05911	11.2
203.07695	1.6
205.07333	1.1
211.06467	2.4
213.07977	18.3
217.07448	14.6
225.07962	7.9
227.09544	2.1
229.07529	7.0
229.14415	1.3
231.06920	2.3
231.09010	31.2
237.08025	3.4
239.09554	8.7
241.11214	1.7
243.09048	8.4
245.10608	2.8
247.08630	1.9
248.09450	1.5
249.08073	3.1
251.09529	12.4
254.10599	1.9
255.09032	25.8
257.10574	5.4
267.09024	28.0
269.10593	100.0
270.11029	1.4
273.10117	21.8
275.20029	2.0
278.10638	2.9
279.09009	1.7
285.10110	50.6
286.10391	2.1
287.11652	50.2
288.12155	1.8
290.10522	3.4
292.12170	17.0
303.11230	6.2
308.11639	4.3
310.13171	2.7
331.15845	8.1
349.16858	28.5
367.17920	98.0
368.18289	2.9
372.18588	3.0
385.19022	16.2
390.19553	16.4
408.20459	1.7
463.24240	2.1
547.29199	1.7
561.31195	8.3
577.29950	1.8
625.75940	1.4
659.38159	26.2
662.60498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	30.1
62.54309	0.4
64.26604	0.5
67.05505	1.8
69.34188	5.2
71.95266	3.6
72.96037	1.7
74.97613	1.1
79.05487	1.9
79.66102	0.5
80.34588	0.5
81.03429	0.7
81.07057	1.3
83.04984	0.5
84.96037	0.9
85.31013	0.5
91.05471	1.1
92.98643	0.9
93.07047	1.3
95.04939	0.7
95.08593	1.2
97.96830	1.1
98.20783	1.2
98.97581	0.7
105.60302	0.5
107.08604	0.6
116.98591	0.9
123.01206	1.3
128.98570	1.8
129.05467	0.6
137.02751	1.2
141.02234	0.8
146.99654	3.7
152.61415	0.5
155.03761	1.6
159.03320	0.8
161.01210	0.9
161.06052	0.7
165.00726	1.1
167.03821	1.1
169.01572	0.6
171.03241	1.4
173.04843	1.5
183.06976	1.3
185.04854	1.2
185.08484	0.7
187.02910	0.5
187.06467	1.0
189.04306	0.8
191.05975	1.6
193.05467	0.8
195.06972	1.7
197.04904	0.7
199.06433	6.8
201.07993	3.0
203.05901	2.9
209.04967	1.0
211.06349	4.7
213.07979	21.6
215.05928	1.3
215.09486	0.7
217.07484	12.8
219.09100	2.2
221.07076	0.5
222.08093	0.9
223.02853	0.7
223.08456	1.2
225.08090	2.1
227.09579	1.3
229.07484	44.5
231.09047	38.2
232.09445	0.9
235.08499	1.0
236.09610	2.9
239.09546	0.7
243.09048	15.0
245.10516	1.8
247.08543	39.8
248.08998	0.8
252.09091	4.9
253.11171	0.6
254.10721	2.7
255.08965	0.8
257.10623	0.7
261.10129	12.1
266.10693	1.1
267.08829	1.1
269.10495	1.3
270.10168	2.0
271.12244	0.8
273.10226	0.9
280.09662	1.1
285.10162	1.3
313.14636	0.7
321.17490	1.3
331.15811	8.3
349.16870	100.0
350.17484	2.6
351.18491	0.6
367.17947	41.8
368.18286	1.2
372.18356	1.0
390.19431	12.6
391.19507	0.7
463.30267	1.2
521.27533	0.6
659.38141	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	659.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	19.4
60.34847	0.3
67.05479	1.2
69.07037	0.4
71.58948	0.3
71.95267	1.6
72.96026	0.4
72.99992	0.3
74.97584	1.2
79.05463	1.3
79.33949	0.4
81.03373	0.4
81.07032	0.5
84.93719	0.3
84.96000	0.7
91.05436	1.0
93.07005	1.1
95.04978	0.5
97.02877	0.4
97.96763	0.6
98.97558	0.8
105.00140	0.3
105.07024	0.5
110.97605	0.7
115.00676	0.4
115.97836	0.5
116.98560	0.9
122.59053	0.4
123.01147	0.5
128.98584	2.3
131.00092	0.4
133.01733	0.8
134.99583	1.0
145.30251	0.3
146.99652	4.6
147.03195	0.8
149.01205	0.5
149.02322	0.5
151.02719	0.5
153.02290	0.4
155.03758	1.4
157.01694	0.4
159.03229	1.0
161.01199	1.3
165.00668	1.4
165.02002	0.4
167.03812	0.4
169.01683	0.5
169.05339	0.5
171.03278	1.2
173.04869	0.8
175.02704	0.8
177.04254	0.8
179.02306	0.4
181.05301	0.5
182.31868	0.4
183.03252	0.7
183.06824	0.5
184.00342	0.3
185.04855	2.2
187.02766	1.3
187.06395	1.1
187.99931	0.8
189.04337	2.5
191.05844	0.5
193.03732	0.4
193.05327	0.4
197.04846	0.9
199.02820	0.4
199.06406	3.3
201.07675	0.4
203.05882	4.3
205.01845	0.4
205.07446	1.5
207.05363	0.5
207.07008	0.6
209.04927	0.8
211.02805	0.4
211.06357	1.0
213.04396	0.8
213.07933	2.6
215.05937	0.6
216.06587	0.6
217.07475	5.3
219.09006	0.4
221.06805	0.6
223.02745	1.6
223.06470	0.5
223.08507	1.1
225.04317	0.4
225.08037	1.7
227.05869	1.1
227.09550	0.8
229.07384	0.9
231.05334	0.5
231.09029	3.5
237.04236	1.1
237.07907	0.8
237.10019	0.5
239.09586	1.4
241.03891	0.5
241.07428	1.3
241.11026	0.5
242.08420	0.4
243.09001	2.6
245.07001	1.0
245.10530	0.6
251.09497	1.1
253.11034	2.1
255.05153	0.4
255.08994	1.1
257.10632	2.3
259.08517	0.7
261.10193	0.9
263.06152	0.4
263.09348	0.5
267.12650	0.7
269.10651	2.9
271.12201	1.3
275.11722	1.1
277.07428	0.4
277.11063	0.8
279.09067	1.3
280.09763	1.7
281.10565	0.5
285.14856	0.4
287.11673	1.9
291.12759	0.4
292.19101	0.5
297.10056	1.1
298.10742	0.7
299.11765	0.9
303.16306	0.4
307.12366	0.6
307.15796	1.1
313.14294	0.5
319.15634	0.5
321.17438	0.5
323.18924	0.5
325.13123	0.5
331.15775	45.6
332.16077	1.3
347.15210	0.5
349.16843	100.0
350.17123	2.4
367.17920	58.0
368.18234	1.5
372.18427	11.0
373.18533	0.4
376.21390	0.4
385.18927	1.3
390.19525	9.6
425.22150	0.3
430.57697	0.4
562.49475	0.4
641.37384	1.7
659.38153	24.0
660.38818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	10.8
56.96835	0.9
59.44958	0.3
63.00672	0.3
63.86762	0.3
65.65041	0.3
67.05463	1.0
70.63311	0.9
70.63709	0.6
71.95260	2.4
74.97605	0.7
79.05452	0.7
81.07012	0.7
84.95985	1.5
89.96266	0.4
91.05444	0.8
93.07019	0.5
95.08562	0.4
97.96780	0.4
98.97540	1.4
99.90171	0.3
100.71188	0.3
110.97528	2.6
111.98344	0.3
113.50814	0.3
115.97788	0.6
116.98562	1.4
128.97702	0.4
128.98605	6.1
129.99406	2.3
131.00140	0.7
132.00879	0.4
133.01709	0.4
134.99548	0.5
141.99394	0.8
143.00128	1.6
146.98495	0.5
146.99643	8.5
147.04350	0.9
147.99377	0.4
148.00439	5.8
149.01172	0.9
149.05678	0.4
149.44318	0.3
155.00017	0.5
155.03719	0.3
157.01682	0.5
159.03131	0.4
160.00429	2.8
161.01204	3.5
161.98308	0.5
163.02745	0.4
165.00766	2.1
166.01491	1.0
167.03723	0.5
169.01707	0.5
170.01187	0.5
171.01964	0.4
171.03285	1.7
172.00368	0.6
173.01161	1.2
173.04858	0.6
175.02756	0.7
178.01427	0.9
179.02223	1.0
179.03648	0.4
181.05318	0.5
182.99617	0.5
183.03276	0.9
184.04178	1.9
185.01218	0.8
185.04858	1.7
186.01956	1.1
187.02707	0.9
187.99921	0.6
189.04324	4.0
190.01430	1.2
190.04997	0.4
191.05923	0.4
193.03816	0.7
197.01221	4.0
197.04868	1.0
198.01884	0.5
199.02841	0.7
199.06403	3.8
200.03523	0.6
201.00708	2.1
201.04312	1.8
201.07956	0.7
202.05148	2.0
202.42822	0.3
203.02226	0.9
203.05888	3.7
204.03043	1.0
205.07463	0.7
207.05457	0.6
209.04874	0.7
211.02757	1.1
211.06401	1.2
212.03513	0.6
213.07930	1.5
215.02260	9.4
215.05859	1.1
216.02916	0.4
217.03989	0.8
217.07458	8.7
218.04614	0.8
219.01819	0.6
219.05411	0.6
219.09077	0.4
221.04933	0.8
221.06897	0.8
223.02722	1.3
223.06476	0.4
223.08444	0.6
225.04433	0.7
227.05949	2.4
228.06573	1.4
229.03769	1.3
229.07492	6.3
230.04596	0.5
230.08218	0.6
231.05426	0.6
231.09035	2.1
233.03249	1.2
237.04317	0.4
238.03845	0.7
239.05911	6.1
240.06717	3.2
240.08957	0.5
241.07434	1.9
241.11194	0.6
243.09125	0.6
244.06213	1.1
245.06978	2.6
246.07849	0.4
247.08534	5.1
252.09113	0.3
257.06967	21.0
257.09760	0.7
258.07742	20.1
259.08481	2.4
259.12097	0.8
261.09964	0.6
262.07236	0.6
263.08170	0.6
271.08365	0.5
272.05585	1.0
275.08014	7.9
275.11172	0.7
276.08807	13.8
279.08997	0.7
280.09171	2.0
281.09167	1.7
289.14685	1.2
290.06699	1.8
295.08722	0.4
295.11993	0.7
297.10120	0.9
298.10818	1.4
299.10501	0.7
307.15771	1.5
313.14810	2.1
319.15836	0.6
323.18890	0.5
331.15784	23.9
332.16208	0.8
332.70898	0.4
347.15210	0.4
349.16849	100.0
350.17365	2.2
367.17914	59.9
368.18295	1.6
372.18454	2.1
373.73282	0.4
385.18903	2.2
390.19507	15.4
641.37079	0.6
659.38232	26.3
660.38831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01873	5.8
55.05513	11.5
57.03434	19.7
57.07071	5.1
61.02924	79.2
65.03925	3.2
67.05505	51.7
68.95565	1.4
69.03429	31.0
69.07069	9.8
71.01359	4.1
71.04986	6.2
71.08636	1.6
71.58811	3.0
73.02917	30.6
79.05492	31.4
81.03419	23.8
81.07052	53.5
82.07356	1.5
83.04967	3.6
83.08614	5.7
85.02905	100.0
85.06552	3.1
87.04467	4.3
91.03952	58.5
91.05475	24.7
93.07046	39.2
93.84854	1.4
95.04979	8.3
95.08610	34.2
97.02888	70.1
97.06532	3.0
97.10173	3.2
99.04463	10.1
99.08102	3.0
101.02395	8.5
103.03963	6.6
105.07037	24.1
107.04961	5.0
107.08597	21.2
109.02880	10.9
109.06519	3.5
109.10160	15.6
111.04432	3.8
111.08073	3.5
113.09653	1.6
115.03935	6.5
117.05537	1.8
117.07026	9.5
119.08573	13.9
121.10135	15.2
123.04456	1.4
123.08076	2.1
123.11726	7.0
125.09676	3.1
127.03909	27.8
129.05518	5.0
129.07018	6.2
131.08568	17.5
133.06490	2.3
133.10152	8.2
135.08023	1.7
135.11691	11.8
137.13289	4.0
143.08588	7.1
145.04958	20.6
145.06084	1.8
145.06528	1.6
145.10106	10.6
147.07980	1.8
147.11716	9.6
149.09607	2.3
149.13268	8.0
155.08578	3.6
157.10141	3.8
159.06528	2.5
159.08055	2.0
159.11674	8.1
161.09621	1.6
161.13240	8.2
163.05989	3.4
163.11130	3.0
163.14854	6.3
169.10150	4.4
171.06468	1.9
171.11731	3.5
173.13219	7.4
175.14899	4.3
177.12790	2.6
177.16365	2.0
179.10562	1.7
183.06493	4.7
183.11682	1.9
185.09688	1.7
185.13280	3.7
187.14845	5.0
191.14314	2.7
197.13283	2.3
199.14891	2.9
201.07599	3.2
201.12753	2.0
201.16368	2.4
211.14857	2.0
243.21106	12.4
259.20547	2.4
261.22174	21.5
273.22134	2.8
277.21539	1.7
285.22134	3.6
291.23199	2.2
297.22397	1.7
301.21408	1.8
303.23071	7.5
315.23206	4.6
317.24750	3.8
327.23203	3.2
335.25833	35.5
341.24719	3.3
351.23242	5.6
353.49689	1.6
363.25363	2.1
369.24146	7.7
377.26566	3.8
387.25278	4.0
389.26694	2.6
405.26608	2.0
419.27847	1.8
431.27963	4.0
443.27942	14.1
461.29041	5.9
479.29984	7.3
497.30957	4.5
509.18127	2.2
524.20276	2.3
569.20447	1.8
587.21118	2.3
643.74164	1.5
659.23163	15.4
659.34814	3.4
660.23273	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	659.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01863	3.7
55.05515	11.7
57.03434	21.9
57.47090	1.6
60.43609	1.5
61.02925	81.4
65.03941	3.8
67.05175	2.6
67.05504	35.6
69.03432	33.5
69.07082	8.1
71.01331	3.1
71.04983	3.7
72.52631	1.8
73.02914	27.2
79.05482	24.1
81.03414	20.3
81.07055	35.3
83.04956	3.9
83.08604	4.3
85.02901	100.0
87.04463	1.9
91.03951	56.3
91.04526	2.9
91.05467	15.9
92.41136	1.6
93.07038	29.3
94.39478	1.5
95.04957	5.1
95.08605	29.9
97.02888	75.0
97.06560	2.6
97.10141	2.2
98.20736	4.2
99.04453	13.5
101.02391	7.4
103.03950	9.2
105.07040	15.4
107.08586	14.9
109.02869	14.0
109.09540	1.4
109.10160	11.9
109.90273	1.5
111.04414	3.6
111.42279	1.3
115.03924	7.2
117.06974	7.6
119.08579	10.9
121.10141	14.9
123.08057	2.1
123.11703	6.9
127.03913	36.3
129.05460	4.3
131.08577	11.7
133.10126	8.4
135.11693	8.7
137.13268	2.3
145.04950	24.1
145.10121	7.4
147.11713	7.7
149.09578	2.2
149.13237	7.7
157.10165	2.1
159.06590	1.7
159.11665	5.6
161.13251	4.6
163.06007	8.3
163.14810	2.7
165.12823	1.6
171.06548	2.1
171.11687	2.9
173.13272	7.8
175.14784	1.8
183.06511	5.5
185.13184	1.7
187.14784	1.6
199.14787	1.5
199.38725	1.5
201.07597	5.1
230.05751	1.5
243.21053	5.7
259.20569	3.1
261.22098	17.3
271.30884	1.6
279.23141	1.9
303.23029	1.8
319.26630	1.8
335.25787	66.5
355.16763	1.5
363.25134	4.6
369.24142	2.1
479.29819	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	659.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21253	2.4
55.05512	4.6
57.95359	2.1
60.88467	2.8
62.46555	3.2
67.05500	14.0
68.99799	3.2
69.03413	11.2
70.06577	5.2
71.04975	3.1
71.58153	3.4
76.44815	3.0
79.05477	4.8
81.03400	5.9
81.07054	8.8
83.04993	3.6
85.02901	17.8
86.25243	3.2
91.05478	11.8
93.07050	3.1
95.04958	7.9
95.08593	7.0
97.02881	9.0
105.07039	15.2
107.08591	5.7
107.94211	2.8
109.06515	4.1
109.10160	30.4
111.04425	2.9
119.04908	6.9
119.08585	21.8
121.10109	6.0
123.04428	100.0
123.08044	2.8
127.03905	6.4
131.08530	6.0
133.06451	8.6
133.10120	3.2
135.04404	10.1
135.08066	4.6
137.05911	5.4
139.03900	98.0
143.08627	3.2
145.10126	14.2
147.04398	26.7
147.11691	30.8
149.05975	6.6
149.09714	3.6
151.03883	11.9
156.09349	5.0
159.07980	3.9
161.05965	8.6
163.03891	8.8
165.05473	27.0
171.11642	5.3
175.07561	4.8
177.05438	11.4
186.02115	3.2
189.05464	13.0
189.12744	64.3
190.13329	4.5
191.06987	6.6
193.04933	3.2
197.09590	4.5
203.07024	71.0
205.04922	4.6
207.06490	6.7
207.13788	12.1
217.08626	10.0
219.06503	8.3
219.10139	3.4
227.06952	12.4
228.07748	8.9
229.08551	7.7
245.08093	45.5
253.08522	4.0
255.13773	3.3
257.08163	3.9
259.09711	2.8
271.09680	3.6
273.07504	17.5
273.14890	6.9
285.14911	10.5
289.10559	5.6
291.08649	42.8
303.15991	9.0
309.14786	4.4
327.15900	26.2
345.16956	53.1
355.11743	5.8
357.16986	2.8
379.11774	24.9
397.13046	17.2
461.19727	25.2
479.20651	60.1
497.21750	20.7
507.22186	39.3
641.26050	21.1
659.22028	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	658.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05502	2.4
57.07074	8.0
58.06591	1.4
61.02905	0.9
65.03934	1.6
67.05489	2.5
69.07069	2.2
69.13029	0.6
69.61366	2.0
69.61778	3.4
70.06589	18.7
71.08620	3.7
79.05485	2.5
81.07059	3.1
85.02896	2.0
85.10166	1.0
88.07083	1.6
88.07626	25.7
91.05483	2.8
93.07036	2.4
95.04959	1.2
95.08633	1.1
97.02883	1.8
102.09171	17.0
105.03391	0.7
105.07020	1.9
107.04897	1.1
107.08601	1.2
109.10131	1.2
119.04946	1.0
119.08582	1.2
121.10120	1.3
131.04907	1.1
133.10118	0.8
147.04434	3.0
148.64926	0.8
149.02342	44.6
149.03313	1.8
153.19167	0.7
175.03961	1.6
179.31844	0.7
193.04958	53.1
194.05394	1.0
203.27173	0.7
219.06555	1.7
225.05504	1.2
237.07556	13.3
256.26337	59.4
257.26620	1.0
269.04425	1.1
275.20004	1.0
292.20029	1.1
297.03958	2.1
313.07089	3.2
315.19305	0.8
341.06519	12.8
359.07541	8.2
385.09128	20.9
429.11783	33.5
640.34833	2.2
658.35785	100.0
659.35986	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	657.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17694	1.9
53.03934	7.3
55.01881	10.1
55.05508	17.6
56.96543	2.5
57.03187	2.5
57.03439	31.9
57.07054	3.5
61.02929	91.4
65.03928	3.3
67.05502	46.1
69.03075	3.4
69.03427	44.1
69.07063	17.7
70.47926	8.2
70.50372	2.2
71.01352	7.4
71.04984	8.3
72.74220	2.1
73.02917	34.9
79.05493	45.4
81.02982	2.7
81.03418	34.0
81.07053	48.1
83.01359	2.2
83.04969	8.9
83.08614	7.9
85.02908	100.0
85.06554	2.3
87.04455	3.2
91.03954	52.9
91.05481	52.4
91.44283	1.9
93.07042	48.4
95.04983	11.3
95.08048	2.5
95.08615	26.4
97.02891	81.6
97.03522	4.4
97.06511	5.3
97.10153	7.9
99.04453	12.8
99.08053	2.1
101.02374	12.4
103.03953	11.0
103.05457	3.3
105.07033	49.6
107.04951	6.4
107.08582	30.0
109.02852	9.9
109.06506	5.9
109.10162	13.4
111.04444	4.3
111.08106	3.3
115.03970	5.3
115.05472	4.7
117.05454	2.8
117.07007	23.9
119.08587	32.3
121.06516	7.4
121.10155	22.4
123.08085	4.7
123.11710	2.8
125.09642	7.3
127.03911	29.7
128.06209	5.9
129.05467	7.9
129.07002	14.9
130.07866	3.0
131.08556	32.2
133.06450	4.0
133.10133	22.6
135.08038	4.5
135.11684	16.9
137.05930	2.3
137.09627	2.5
141.06999	6.2
142.07788	3.1
143.08554	15.9
145.04945	20.8
145.06099	2.0
145.06541	2.2
145.10114	24.0
147.08031	3.5
147.11679	19.1
149.09633	5.9
149.13254	11.1
155.08545	7.6
157.10106	14.4
159.07982	3.7
159.11705	18.2
161.09686	2.3
161.13251	10.4
163.06049	4.6
163.11253	3.5
163.14842	2.8
167.08536	3.8
169.10107	6.9
171.11734	13.8
173.04527	2.7
173.09639	2.8
173.13220	11.4
175.11183	4.0
175.14833	4.6
177.12781	2.4
177.37337	2.0
181.10014	3.9
183.06584	3.3
183.11711	6.3
185.09563	2.3
185.13287	8.1
187.11195	5.9
187.14795	3.6
189.12790	3.2
193.12193	2.5
195.08075	2.3
195.11702	3.7
197.09525	3.3
197.13237	6.0
199.14822	5.3
215.14381	2.5
221.13348	2.6
223.14824	2.7
225.12752	2.8
231.21257	1.9
239.18051	2.2
241.19479	8.6
259.20572	24.2
259.34506	2.0
267.15945	5.9
271.17688	2.3
271.20508	3.3
277.21738	3.8
295.20627	2.9
301.21616	8.1
313.21567	4.4
315.23242	5.5
325.21585	5.9
333.24213	33.5
339.23035	3.7
349.21329	2.8
361.23679	3.3
367.22656	6.4
375.25406	5.9
385.23764	4.8
387.25150	2.5
403.24734	3.7
405.26196	2.9
417.26385	2.7
423.26727	2.5
429.26480	3.6
441.26468	18.1
442.26498	5.5
459.27457	13.2
460.27539	3.2
470.86844	2.2
477.28387	14.0
495.29483	10.1
603.30194	2.1
657.34930	11.7
657.43878	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05912	1.7
61.24493	2.0
61.89621	1.9
70.11966	4.5
70.12383	6.0
73.35622	1.8
89.78857	1.9
102.36515	2.2
102.65313	1.8
132.08102	2.6
190.53188	1.9
205.66109	2.0
221.10739	3.0
247.12367	3.5
249.13902	3.8
250.56482	2.0
260.12878	2.6
261.14050	2.7
273.13809	2.8
275.15521	2.0
282.47305	2.1
287.15326	1.9
288.16260	3.6
318.16229	2.4
326.16409	2.5
340.18039	2.0
350.16400	2.7
352.18140	2.4
361.15247	2.0
362.15979	3.2
363.16660	2.4
364.17831	2.0
365.17789	4.4
366.19568	2.3
375.16486	4.6
376.17374	2.5
377.17880	5.5
379.19492	7.6
381.21216	3.3
389.18112	2.5
391.19217	7.2
392.20328	3.9
393.16855	7.1
393.21021	5.3
394.17618	3.6
405.16522	3.3
405.21265	4.7
406.22244	2.9
407.18576	5.6
407.22888	4.6
408.19482	10.0
409.20346	11.6
417.16971	2.8
419.18549	3.9
421.19675	12.5
422.20819	8.2
423.21915	34.6
424.22452	4.3
434.20963	3.7
435.22156	14.7
436.22513	6.5
437.23257	7.5
439.21484	2.8
446.21149	2.6
447.21826	2.2
449.18732	3.1
449.24097	4.4
450.24423	4.6
451.20975	9.7
452.22137	2.9
454.19818	4.8
461.23618	11.8
462.20172	3.1
463.21152	6.2
464.22049	3.6
465.22626	6.4
466.20627	2.4
467.25226	4.0
468.25204	5.0
476.22159	2.2
477.23251	10.4
478.23615	4.7
479.24179	8.9
481.22168	6.6
482.23196	2.8
493.21420	10.8
494.25949	9.0
495.23434	20.3
496.24567	9.8
497.25735	3.2
506.23395	2.4
507.23715	2.6
508.24689	22.3
509.25909	16.5
510.26447	14.6
511.27173	22.1
519.23511	3.2
521.25793	10.4
522.25757	4.4
523.23291	14.2
525.28522	6.2
526.29077	5.2
537.25061	39.7
538.25909	17.3
549.25378	3.5
551.23163	2.4
553.28558	18.1
555.25861	3.6
565.24225	7.0
566.25751	2.3
570.28149	9.5
581.27631	34.5
582.26923	3.1
583.25250	8.8
595.28613	2.3
597.27100	82.0
598.27588	13.4
607.25079	3.7
613.30237	85.0
614.30023	3.0
625.26587	100.0
626.27002	4.4
657.29175	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	657.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	1.7
71.59246	3.1
77.42765	1.5
87.01619	1.8
121.60593	1.8
185.39568	1.5
233.10779	1.9
275.15308	2.2
300.27698	1.7
340.18085	2.7
352.17899	2.0
353.18481	2.1
365.17715	2.8
375.15955	2.7
377.17670	4.0
378.19156	2.2
379.19583	3.2
389.17844	2.4
391.18967	5.5
393.16833	3.0
393.21140	3.1
394.18011	3.4
402.20267	1.9
406.21924	3.4
407.18466	5.4
407.22916	4.5
408.19293	5.2
409.20172	7.3
417.16705	2.6
419.18292	4.2
421.19983	6.5
421.24780	2.3
422.20648	5.1
423.21838	23.1
424.22601	3.6
435.21710	7.6
436.22498	5.9
437.23560	4.5
438.24030	2.4
446.21011	3.6
447.21887	2.8
449.23608	3.5
450.24286	3.3
451.21100	6.4
454.20209	4.1
461.23242	6.3
462.20547	2.3
463.21667	8.1
465.22769	5.8
466.22614	2.9
467.24261	5.6
476.21964	2.3
477.22760	8.3
478.23685	3.0
479.23975	8.1
480.22507	2.0
481.22223	3.5
491.21490	2.5
493.22406	7.5
494.26361	7.9
495.23648	15.2
496.24533	7.1
505.22498	2.1
508.24722	15.0
509.25876	11.9
510.26364	16.1
511.27057	13.2
519.23926	2.8
521.25214	6.7
522.26160	2.9
523.23206	6.6
525.28357	4.5
526.28778	3.4
537.25067	28.5
538.25378	12.0
539.26190	3.1
549.24518	2.4
551.22559	3.0
553.28210	14.3
555.25726	2.5
565.24365	5.3
566.24896	2.5
570.27960	6.3
581.27551	32.0
582.26605	1.9
583.25873	10.2
597.27051	62.4
598.28168	11.1
607.25854	2.5
613.30225	63.3
614.30481	2.5
625.26550	100.0
626.26721	3.2
657.29095	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	656.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.32655	0.6
55.01868	1.1
55.05518	1.0
57.03444	1.0
65.03939	3.3
67.05492	2.3
69.03423	3.3
71.04967	1.0
73.02914	1.4
73.54294	0.7
78.10823	0.8
79.05494	1.5
81.03413	6.3
81.07063	1.3
83.08622	1.3
85.02898	7.3
87.00819	2.1
91.05482	100.0
92.05834	1.1
93.07036	1.1
95.04969	2.3
97.02895	4.9
97.03425	0.7
99.04448	0.9
105.01849	1.5
105.07049	2.6
107.05000	0.9
107.08575	0.8
109.02890	3.2
109.10173	1.3
111.04530	0.7
121.02911	0.8
123.04371	1.1
127.03925	6.9
129.06923	0.7
129.62482	0.8
133.10080	1.0
136.68831	0.6
137.06001	2.2
145.04982	2.0
151.03902	18.7
154.02628	1.3
159.02794	0.9
163.11211	0.7
165.09077	1.0
169.04936	2.3
213.04028	2.4
229.14357	0.8
231.05032	2.3
241.08554	4.8
259.09720	6.4
267.16135	1.6
321.09854	0.8
409.26202	0.8
524.30200	0.7
541.17181	0.7
656.30933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.01863	6.2
55.05513	28.6
56.60790	2.4
57.03420	4.8
61.02933	3.2
67.05504	31.2
69.03425	8.2
69.07066	9.9
70.40557	5.5
71.04993	3.7
79.05486	26.7
81.03419	9.4
81.07059	25.9
83.04971	5.8
83.08614	18.6
85.02908	5.9
91.05473	25.8
93.07030	16.6
95.04956	4.0
95.08623	10.5
97.02882	6.4
97.10164	24.7
103.05457	9.9
105.07027	18.6
107.04963	5.0
107.08582	12.4
109.06569	3.4
109.10155	5.2
115.05445	5.8
117.07005	28.3
119.08576	12.2
119.67160	2.4
121.06503	5.1
121.10133	3.6
123.07951	2.4
125.09631	25.6
128.06235	3.1
129.06999	13.3
131.08559	22.3
133.06569	5.2
135.08026	3.8
141.07005	7.7
143.08528	5.7
145.06490	6.6
145.10136	7.6
146.10371	2.7
147.07996	3.1
149.09637	4.0
153.16867	3.0
155.08562	9.4
157.06487	4.1
157.10191	2.8
159.08095	2.9
159.11661	3.8
161.05994	2.8
169.10172	6.3
171.08078	2.8
171.11613	4.5
173.13326	2.8
179.50706	2.4
179.61490	2.3
183.11653	3.0
187.14827	7.2
189.11270	12.5
197.13278	12.8
207.11636	3.4
209.20888	2.5
213.12697	3.6
215.14304	32.2
227.12694	16.1
245.13881	3.3
271.16879	3.0
349.21405	4.8
367.22708	12.5
385.23727	9.0
441.26361	58.8
459.27356	100.0
477.28391	10.5
526.00452	2.9
636.06714	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	655.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82895	1.0
55.05502	5.1
55.17127	0.9
57.03432	3.6
57.07078	42.2
61.02934	6.6
67.05510	10.0
69.03427	2.4
69.07068	9.1
70.84795	2.8
71.08236	1.7
71.08630	30.2
73.02912	3.5
75.04479	1.5
79.05489	1.5
81.07057	14.0
83.08617	11.0
84.04971	1.1
85.02913	9.4
85.10190	16.8
88.36006	1.3
91.03961	7.6
91.05469	1.2
93.07029	1.9
95.08607	26.5
97.02891	3.7
97.10165	5.0
99.11716	2.3
109.06676	1.1
109.10155	11.4
115.03885	1.2
123.11711	5.0
125.13255	1.9
127.03937	3.6
133.42181	1.1
137.13252	2.8
145.04942	3.9
151.14920	1.3
163.06024	5.2
206.49852	1.2
221.22592	2.0
224.70296	1.1
239.23697	29.4
251.40147	1.2
257.24783	4.1
307.38153	1.2
313.27368	100.0
314.27664	1.6
331.28442	13.7
343.47681	1.1
475.32748	1.6
571.10583	1.2
577.24615	5.4
637.26062	1.8
655.26868	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	655.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.8
57.03443	4.7
57.07074	39.5
58.01689	0.8
58.63132	0.8
61.02642	0.9
61.02925	10.5
67.05501	14.7
69.03419	1.8
69.07064	9.7
69.72012	3.7
69.72436	1.7
71.04971	1.5
71.08237	1.6
71.08631	30.8
73.02915	5.4
75.04465	2.6
77.98365	0.9
79.05495	2.4
81.03400	1.5
81.07056	17.3
83.08613	11.8
85.02426	1.3
85.02905	15.2
85.10179	18.9
89.06035	1.5
91.03947	11.1
91.05461	2.0
93.07060	1.4
95.04970	1.8
95.08604	24.3
97.02898	6.4
97.10162	6.4
99.08078	1.0
105.06991	2.1
107.04893	0.9
107.08584	2.0
109.06609	0.9
109.10152	10.8
115.03902	1.3
123.11679	5.8
125.13256	1.6
127.03875	4.3
137.13254	2.3
138.20132	0.8
143.08597	0.8
145.04951	5.4
163.06015	10.4
173.05965	1.3
221.22612	2.1
239.23708	30.8
257.24762	4.7
313.27350	100.0
314.27542	1.7
331.28391	12.2
348.84210	1.2
424.32138	0.9
549.24896	1.0
637.26642	1.2
655.27728	11.1
655.38831	1.7
656.27289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01864	8.2
55.05267	4.4
55.05511	44.1
57.03434	11.9
61.02924	28.4
65.03921	5.7
67.05167	5.9
67.05502	74.6
69.03424	16.1
69.07073	28.3
69.33525	20.4
69.33951	13.3
71.04992	9.0
73.02899	11.5
79.05490	58.3
80.05840	3.4
81.03403	14.8
81.07055	83.0
83.04971	10.6
83.08621	21.5
85.02907	15.8
85.06517	6.7
85.20127	3.2
91.03944	12.8
91.05479	93.6
93.07045	62.5
95.04952	16.6
95.08604	40.4
97.02879	18.9
97.06525	14.6
97.10153	12.3
98.21455	7.4
99.08160	4.3
105.07024	67.6
107.04936	15.3
107.08595	32.4
109.02842	3.6
109.06511	15.3
109.10159	11.8
111.08085	10.3
115.05446	8.4
117.07011	56.4
119.04967	4.8
119.08569	31.9
121.06503	9.9
121.10142	24.4
123.04385	4.0
123.08067	8.2
123.11694	3.2
125.09631	9.0
127.03948	5.7
128.06255	18.9
129.07002	64.7
131.08563	91.3
133.06509	17.0
133.10124	35.9
135.04413	15.2
135.08032	9.3
135.11693	7.1
137.09605	4.6
139.11160	7.2
141.06995	27.2
142.07768	6.9
143.07460	5.8
143.08563	59.0
145.06487	14.8
145.10117	28.7
147.08038	6.9
147.11629	16.2
149.09628	9.3
153.07059	4.3
154.07761	4.6
155.07378	5.0
155.08556	56.1
157.06488	5.9
157.10121	32.7
159.08023	13.3
159.11691	33.3
161.09579	7.2
161.13226	7.4
163.11130	13.2
165.06944	7.9
167.08566	23.8
169.10130	29.0
171.08058	7.6
171.11748	18.4
173.09622	5.4
173.13271	8.8
175.11125	8.0
177.12744	14.2
179.08598	8.4
181.10094	26.9
183.11739	21.4
185.09584	8.1
185.13245	11.9
187.11266	5.2
187.14862	5.4
189.11189	6.4
191.08723	3.9
191.10664	14.8
193.10149	12.1
193.12218	5.0
195.10175	6.7
195.11707	26.7
197.13269	12.8
198.13602	3.5
199.11157	6.0
199.14795	9.6
201.12671	6.6
205.10213	4.0
207.11755	8.4
209.13240	13.3
211.14900	6.8
213.12712	5.8
213.16362	5.4
215.14337	6.7
217.12218	4.0
219.11742	6.4
219.13754	4.3
221.13345	18.4
221.15175	4.0
223.14880	18.5
225.12869	4.3
233.13205	4.7
233.15323	4.7
235.14813	12.3
237.16551	7.0
239.14297	13.2
241.16045	4.2
245.15480	3.6
247.16928	8.4
249.16357	6.2
253.15930	11.2
257.15250	7.1
259.16995	4.3
261.14771	4.9
265.16080	3.3
271.16934	9.7
305.22693	4.2
315.20938	4.6
323.23605	16.8
333.22058	33.7
341.24850	16.4
351.23151	100.0
352.23514	3.7
355.26483	9.0
365.24808	9.7
369.24243	80.2
373.27374	6.9
383.25970	24.8
387.25146	14.2
401.26852	89.5
402.27295	5.6
443.27991	24.0
457.29498	4.4
461.28751	6.4
475.30560	97.0
476.30685	8.4
493.31451	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	655.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15877	2.8
53.03939	8.5
55.01862	8.6
55.05513	42.1
56.96563	3.5
57.03429	12.5
59.04990	2.8
61.02689	2.9
61.02926	29.8
61.13672	2.7
65.03968	3.8
67.05502	79.3
69.03423	14.3
69.07068	37.6
71.04984	12.6
73.02915	13.7
74.10348	2.6
78.93544	3.1
79.05495	66.7
81.03420	22.1
81.03831	4.2
81.07056	85.3
83.04984	13.5
83.08617	38.8
85.02905	27.5
85.06538	6.8
91.03957	21.0
91.05479	87.6
93.07039	63.6
95.04975	19.4
95.08604	47.7
97.02923	21.0
97.06520	16.3
97.10168	8.9
97.38272	2.9
99.04430	3.4
101.02380	3.0
105.06382	5.3
105.07031	60.7
107.04974	15.4
107.08591	31.6
109.02895	5.1
109.06522	13.7
109.10159	12.6
111.08070	9.9
112.78109	3.3
115.05424	8.8
117.07025	58.1
119.04959	5.5
119.08577	37.7
121.06493	10.6
121.10133	25.9
123.04366	4.0
123.08056	11.2
123.11720	4.9
125.09637	6.3
127.03927	8.4
128.06152	14.0
129.07004	64.0
130.40958	3.0
131.04956	3.8
131.08562	80.7
133.06477	10.0
133.10098	25.5
133.32243	2.9
135.08028	14.4
135.11685	12.5
137.47346	2.9
139.03888	5.3
141.06984	28.8
142.07751	5.9
143.08562	47.1
145.06493	15.6
145.10115	40.9
147.04404	3.0
147.08025	15.0
147.11696	17.3
149.09604	17.1
149.13293	6.1
151.11218	5.3
153.06992	6.2
154.07811	4.4
155.08554	41.0
157.06491	5.0
157.10120	38.6
159.08069	10.6
159.11678	32.9
161.09647	6.0
163.11151	8.6
165.06952	6.8
165.09093	3.3
166.07773	5.8
167.07309	3.2
167.08534	18.3
169.10112	30.6
171.08072	4.5
171.11633	19.4
173.09596	9.5
173.13185	7.7
175.09702	2.9
175.11176	8.9
177.12727	11.8
178.07677	3.7
179.08601	13.1
180.09265	4.7
181.10121	26.9
183.11589	18.2
185.09624	4.6
185.13251	16.7
187.11206	5.8
187.13194	3.7
187.14812	4.0
189.12724	7.2
191.10716	3.4
192.09370	3.7
193.10138	11.5
193.12192	6.6
194.11005	3.2
195.08192	3.4
195.11707	24.0
197.09599	3.6
197.13298	15.2
199.11201	4.6
199.14819	9.7
201.12766	4.8
203.14323	4.9
205.12111	3.7
206.10838	4.3
207.11650	12.7
209.13098	19.0
211.11188	5.8
211.13065	3.9
211.14844	10.3
213.12749	5.7
213.16368	4.7
215.14381	11.7
219.11755	3.9
221.13307	22.5
221.15086	3.5
223.14781	19.2
225.12694	4.8
225.16365	6.3
229.07507	9.5
229.15930	6.5
231.13881	3.7
233.13045	4.6
235.14809	12.2
239.14328	16.0
241.15927	10.7
243.13840	6.2
247.08522	7.6
249.16277	6.0
253.15840	11.4
257.15314	7.1
267.17542	4.0
269.15176	4.1
271.16867	10.7
273.14920	3.2
275.16345	3.7
285.18808	5.8
289.18005	4.2
305.22610	4.3
307.18906	5.7
315.20932	7.7
323.23660	16.3
327.12289	10.3
333.22110	33.1
341.24796	14.1
347.15393	19.0
351.23163	100.0
355.26279	3.5
365.16406	7.3
365.24692	4.5
369.24216	73.9
373.27484	3.8
383.25797	15.0
387.25305	18.0
401.26807	47.2
402.27267	3.3
425.26767	4.7
443.27878	36.5
461.28806	11.1
475.30511	70.9
493.31601	17.2
524.55365	3.5
561.77667	3.7
577.39484	3.1
637.34637	3.3
655.35779	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	655.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.0
55.01871	13.2
55.05512	42.9
57.03434	16.1
59.04996	6.8
61.02913	21.6
61.27354	7.4
67.05504	99.7
67.47844	6.3
69.03430	24.7
69.07063	32.9
71.04992	17.9
71.48732	6.3
71.59677	10.0
72.35719	6.1
76.68501	6.4
79.05492	74.8
81.03423	50.0
81.07056	100.0
83.04963	20.9
83.08619	32.2
85.02914	19.1
85.06526	13.3
91.05475	92.7
93.07047	54.6
95.04958	36.5
95.08596	42.9
97.02907	18.2
97.06516	11.9
97.10177	22.6
105.07030	60.5
107.04979	34.9
107.08578	40.9
109.02935	8.9
109.06562	7.9
109.10160	23.1
111.04449	7.6
111.08127	9.0
115.05503	9.2
117.07018	28.4
119.04957	6.8
119.08585	42.5
121.06529	13.4
121.10151	19.0
123.04381	9.3
123.08056	7.7
123.11735	9.7
125.09656	18.3
127.03876	8.2
128.06219	7.1
129.06976	40.2
131.08578	47.5
133.06464	6.8
133.10144	30.1
135.11768	8.6
141.06984	11.2
143.08569	32.4
145.06461	14.4
145.10138	24.8
147.04372	7.6
147.08072	10.6
147.11708	12.4
151.11127	11.5
155.08578	23.5
157.10094	24.8
159.08060	11.5
159.11703	19.6
161.09659	9.6
163.06277	10.2
169.10139	17.2
171.11661	13.4
175.11272	8.9
183.11665	10.8
193.10062	9.9
193.12238	12.7
196.56929	7.0
197.13293	14.3
207.11864	7.2
207.13809	8.2
211.13113	13.5
215.14331	13.6
221.13173	10.9
227.07161	7.4
227.12642	8.3
233.15257	8.7
261.31412	7.8
267.15866	17.2
301.14420	9.1
351.23184	30.3
358.16452	11.5
369.24127	50.5
387.25006	11.1
401.26709	55.9
425.26007	8.3
435.27414	6.8
439.92395	7.9
441.26541	13.1
443.27835	20.3
459.27316	29.3
461.28983	30.3
475.30466	54.9
493.31732	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	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
57.03412	0.5
57.07055	0.5
61.36816	0.3
67.05483	1.3
69.07050	0.7
71.20654	0.6
73.26700	0.4
75.04474	0.4
79.05471	0.8
81.03394	0.5
81.07028	1.3
83.04990	2.8
83.08609	0.5
91.05459	1.3
93.07030	0.8
95.04945	0.8
95.08594	0.7
105.07027	0.7
107.04942	0.4
107.08583	0.6
109.10112	0.6
110.17895	0.4
110.92580	0.3
112.98377	0.3
121.10101	0.4
129.06914	0.4
131.08563	0.6
133.10109	0.6
135.11665	0.5
147.11696	0.6
175.01520	1.3
181.02664	2.0
216.49246	0.3
227.04643	0.5
273.18445	0.5
280.02771	0.4
291.19507	1.3
296.76111	0.5
302.34622	0.4
313.11911	1.3
317.51523	0.3
319.15427	0.5
369.18204	0.8
375.16425	0.5
377.17715	0.6
379.19232	0.4
390.17953	0.4
391.19125	1.4
392.20065	0.9
393.20657	0.8
403.19174	0.3
405.16455	2.6
405.21457	0.6
406.21362	1.0
407.22580	3.8
408.22903	0.5
418.17670	1.2
419.18280	4.0
420.18823	2.1
421.20099	1.5
433.20740	4.9
434.21173	4.2
435.21875	8.2
436.22192	0.7
438.81641	0.4
447.17563	2.0
447.21933	2.1
448.18744	1.5
449.19299	2.3
459.76907	0.4
461.19614	1.8
462.20367	5.2
463.21240	4.7
464.21625	0.5
475.21439	1.8
476.21765	1.4
477.22772	1.7
478.23361	0.6
479.20218	0.4
489.22668	1.8
491.24139	0.5
493.22211	0.8
495.24054	0.9
505.22876	0.5
507.23553	0.8
508.24567	1.5
509.25226	1.5
521.25653	10.6
535.26270	0.5
543.18823	1.1
547.27051	0.5
549.24988	20.1
550.24835	1.0
553.24194	0.8
563.26611	2.7
564.27179	0.8
577.24042	0.7
581.27832	2.7
595.29321	9.0
596.30078	0.6
599.25189	2.2
607.28552	0.5
609.27002	10.7
623.28979	1.7
624.27319	0.4
655.30750	100.0
656.31390	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	654.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01861	0.7
55.05501	1.0
57.03425	2.0
59.04992	0.5
67.05483	1.6
69.03430	7.6
69.07073	0.7
71.04990	0.5
71.59723	0.5
73.02917	0.9
77.70047	0.5
77.70507	0.5
77.88089	0.4
79.05483	3.5
80.46140	0.4
81.03416	4.0
81.07060	2.4
83.04979	0.9
85.02902	7.8
87.00832	2.7
87.04451	1.8
87.56480	0.5
91.05466	1.5
93.07032	0.7
94.04178	0.5
95.04950	1.7
95.08579	1.1
97.02889	8.9
99.04443	1.6
105.01867	4.4
105.07022	2.4
105.99200	0.5
107.04953	1.0
107.08566	0.5
109.02898	2.9
109.06522	7.4
109.10139	0.9
115.03938	2.9
119.08592	0.5
123.04462	0.7
123.08074	0.5
127.03921	6.1
133.04930	1.1
133.06488	8.8
133.10139	0.6
135.04475	0.6
137.05977	100.0
138.06303	1.4
139.03915	0.7
145.05003	2.7
147.08054	0.7
149.06006	1.4
149.09647	0.8
150.07623	0.9
151.03885	0.6
151.07477	0.6
159.02928	0.8
161.06001	1.6
163.07542	1.0
173.06136	0.5
175.07449	0.5
177.05472	0.5
177.09114	0.5
179.07016	8.4
189.09030	0.5
203.07059	2.0
213.04044	0.8
221.08125	0.9
231.05000	1.4
233.08049	1.4
239.09355	0.6
243.23470	0.5
245.08116	1.0
257.11746	0.8
267.15704	0.6
269.10083	7.6
293.13220	0.6
327.06897	1.1
345.08234	1.1
349.09061	0.9
356.65994	0.5
365.13647	0.8
367.10391	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69193	2.5
73.91896	2.5
76.57439	2.6
91.45058	2.6
92.41230	2.8
93.50274	2.7
101.34896	2.8
154.75551	2.6
221.10719	3.3
234.64151	3.3
244.17270	3.2
344.14108	2.8
354.12234	3.6
361.71887	2.9
389.17978	2.9
393.00107	3.5
406.18204	3.3
414.15768	4.0
417.17288	4.7
418.17636	5.3
447.22278	5.4
451.13818	3.4
459.17996	3.3
460.18634	4.1
461.19312	4.1
462.20331	3.4
475.21552	25.5
476.21832	5.6
535.23395	12.3
562.25818	4.3
563.26208	6.2
579.25647	4.0
590.24280	4.0
594.28308	5.1
595.25568	5.2
609.26782	4.7
622.27936	100.0
623.26044	10.1
637.26373	4.8
638.27435	4.6
655.27795	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	652.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.8
56.96578	1.8
57.03424	5.2
59.04995	4.3
59.59126	2.1
61.02908	4.2
67.05504	100.0
69.03432	3.5
69.07057	4.9
69.95148	13.0
71.04993	17.6
71.38824	2.6
79.05512	10.4
81.03384	3.9
81.07053	65.7
83.04961	2.8
83.08620	12.1
85.02892	4.4
85.06538	8.3
91.05463	14.4
93.07050	10.3
95.04982	4.0
95.08599	11.5
97.02880	3.6
98.21555	3.1
105.07022	8.2
107.08574	8.6
109.02846	2.6
109.10158	68.1
111.08073	4.0
119.08592	4.1
123.11690	10.3
127.03873	2.4
131.08643	3.2
133.10132	15.0
135.11710	3.0
137.09601	3.0
147.11627	2.1
149.13216	4.4
151.11206	5.4
155.10674	2.7
159.11591	2.7
163.03961	2.4
173.11745	18.0
177.05435	2.3
183.13840	2.9
229.14330	26.5
269.17377	2.3
301.19980	11.3
397.25824	84.0
398.26218	4.6
401.83054	2.3
411.27350	6.1
423.27469	26.3
455.30054	99.8
456.30444	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.3
55.01870	4.9
55.05509	29.4
57.03439	11.7
59.04987	3.8
65.03935	4.2
67.05502	100.0
69.03427	23.8
69.07064	16.5
71.04987	9.3
71.53685	2.6
73.02917	2.8
79.05492	34.8
81.03416	64.8
81.03857	4.9
81.07053	58.2
83.04981	25.9
83.08619	11.9
85.02912	6.6
85.06540	4.6
91.05467	31.3
93.07038	31.3
94.59860	2.6
95.04970	8.9
95.08607	39.2
97.02889	23.0
97.06507	4.7
97.10166	11.9
99.04444	5.7
99.08136	3.2
105.07028	22.8
107.04951	4.7
107.08572	22.8
109.02887	9.0
109.06527	5.4
109.10161	54.7
109.18853	2.3
111.04482	8.4
117.07010	8.9
119.08590	21.9
121.10127	11.3
122.85572	2.3
123.11679	7.6
125.09631	14.3
125.48466	2.4
127.03908	9.4
129.05476	10.8
129.07021	8.2
131.08583	14.4
133.10150	13.9
135.11708	10.5
137.13188	2.4
143.08531	7.1
145.10127	8.4
147.11720	6.6
149.13226	5.4
153.09053	3.8
155.08667	4.3
155.10611	3.1
157.10118	4.6
159.11710	7.3
161.13272	5.7
163.14789	2.9
169.10049	3.2
171.11650	3.5
173.09766	2.2
173.11732	19.4
173.13199	5.2
183.11726	3.4
185.13309	4.1
189.11223	14.5
197.13309	3.6
227.12743	14.7
229.14294	16.9
245.13785	4.3
261.22192	6.8
273.22241	2.6
299.14822	5.1
301.21582	4.9
302.88852	2.7
319.22507	3.4
333.24582	3.5
335.25827	10.0
337.27420	14.3
351.23062	4.5
369.24249	10.0
371.16931	7.6
387.25235	5.7
405.26117	3.3
410.08743	2.9
479.30194	3.0
489.36127	5.9
507.36935	4.8
540.63086	2.9
597.38043	3.3
615.38965	4.1
633.40393	13.4
651.40948	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	652.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90962	0.6
56.31126	0.6
57.03434	4.8
59.08915	0.6
60.04513	0.9
60.59750	0.7
61.02934	0.8
65.03955	1.0
67.01537	0.7
67.01865	7.9
67.05486	1.7
69.03426	16.3
69.07064	1.6
73.02912	0.7
75.04484	1.3
75.33908	0.6
79.05482	1.7
81.03419	1.2
81.07046	2.4
85.02439	0.9
85.02909	11.3
87.04464	12.0
89.05997	0.7
91.05476	1.7
92.17297	0.6
93.07030	0.8
95.08571	0.7
97.02900	11.8
105.07019	2.8
107.04951	16.5
107.06156	0.7
107.08595	0.7
109.02891	1.1
109.06501	1.0
109.10144	1.9
115.03929	15.3
119.04945	0.8
121.06518	0.9
127.03898	1.4
131.08528	0.7
133.04964	13.9
133.06462	5.0
135.04404	6.5
137.05992	2.1
143.08545	1.4
145.04977	1.2
147.04356	1.3
149.05992	1.4
150.07623	5.9
153.05472	2.7
161.05957	3.5
161.09660	0.7
162.07555	0.7
165.05478	82.6
179.07048	3.7
179.08342	0.6
180.08675	1.1
189.09113	10.0
191.07030	5.6
191.10689	1.4
207.06425	1.0
221.11719	100.0
222.12114	0.9
229.14384	1.8
247.13327	2.5
285.11227	11.4
309.14917	1.2
333.28577	0.8
339.15521	1.0
341.17496	0.9
353.15976	8.7
447.16479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42231	3.6
53.03928	7.3
55.05509	28.5
55.68662	4.1
57.03435	9.6
57.07074	5.4
65.03925	4.5
67.05501	100.0
69.03418	24.6
69.07055	14.6
71.04586	9.6
71.04974	10.2
73.43076	3.9
79.05487	28.7
81.03417	52.8
81.07055	62.6
83.04964	16.9
83.08610	13.5
83.15562	4.6
85.06529	4.7
91.05460	24.2
93.07058	30.5
95.04942	10.1
95.08604	39.0
95.31807	3.9
97.02869	15.8
97.10173	18.9
105.07032	23.3
107.04953	4.8
107.08583	25.3
109.02876	9.7
109.06542	6.7
109.10157	61.3
111.04427	7.6
111.08119	5.1
117.06989	10.5
119.08560	20.9
121.10133	13.7
123.11693	5.3
125.09614	12.6
127.03883	7.9
129.05473	7.9
129.06923	7.8
131.08563	18.7
133.10138	11.2
135.08070	5.4
135.11679	9.2
141.99863	4.2
143.08575	9.3
145.10086	18.1
147.11722	7.4
148.13606	4.8
149.13306	5.6
153.09166	5.6
157.10184	5.1
159.11708	7.5
173.11714	21.2
173.13127	8.4
189.11238	9.7
227.12758	12.1
229.14449	31.5
261.22122	4.1
263.23773	6.1
298.83173	4.1
303.23264	4.9
335.25574	8.1
337.27505	6.1
351.22958	4.5
369.23984	6.9
633.40118	9.9
651.41547	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01860	3.9
55.05507	3.2
58.43939	1.2
58.99581	4.6
65.03954	1.1
67.05502	13.7
69.07084	5.7
71.04990	1.8
71.59872	1.2
73.01167	1.3
74.00661	3.5
76.02230	11.2
79.05481	6.8
81.03416	4.8
81.07064	5.0
83.04960	2.4
83.06093	3.1
83.08627	2.2
84.04508	7.8
86.00669	1.2
86.99064	2.0
91.05479	10.0
93.07038	8.8
94.06590	1.5
95.04987	6.9
95.08055	1.6
95.08617	15.1
97.01122	2.7
97.06527	1.6
99.01416	1.7
105.07016	7.5
107.04949	3.1
107.08588	4.0
109.06522	17.4
109.10166	8.0
112.02196	12.1
113.04231	1.3
114.03749	2.4
114.58445	1.3
116.01684	6.8
117.06999	2.1
118.06563	1.4
119.08558	5.9
121.06507	3.0
121.10170	2.0
122.09690	5.3
123.02679	2.2
123.08081	2.6
126.03763	1.8
129.06718	1.8
130.05016	3.1
131.08566	3.3
132.08095	2.3
133.06456	2.8
133.10126	2.1
135.08054	1.7
136.02191	1.5
137.03036	1.7
137.04108	2.4
137.09561	2.8
138.03714	2.8
140.01669	2.3
140.05287	7.5
143.08505	1.5
144.01169	3.3
145.06149	2.0
145.10127	1.5
147.08061	5.4
149.09579	1.3
151.11241	1.5
152.01660	2.6
153.06607	1.4
155.08347	1.7
159.08009	1.4
159.11736	1.3
161.09625	2.3
162.02242	4.7
165.09171	1.3
166.06868	15.3
167.05263	2.7
167.07730	5.5
168.08427	3.4
169.04318	7.2
169.05724	1.0
173.11853	1.8
177.03419	2.2
179.04919	6.1
185.03844	3.4
187.05493	2.2
188.05424	1.1
193.12259	1.6
204.08527	1.5
204.30048	1.2
215.04883	15.7
222.13106	1.3
228.10223	2.2
229.14374	6.6
231.04317	5.9
233.05884	3.2
245.05969	1.3
248.11086	3.1
250.12645	3.0
266.12167	4.8
267.15930	4.7
268.13831	1.3
269.09576	3.5
271.17139	1.5
278.12006	1.3
289.17957	8.7
291.19519	1.4
303.14096	1.5
308.09158	2.7
314.09796	4.5
321.15161	4.1
325.15652	2.7
331.10126	2.7
332.10892	3.3
346.18408	6.3
364.19357	11.6
382.15768	2.8
387.38147	1.3
400.17145	21.6
421.25705	4.9
449.21115	3.7
457.19281	4.1
467.22260	5.6
485.18750	5.2
503.19757	100.0
504.20059	4.0
514.47870	1.3
575.21667	7.0
632.24664	1.4
650.24664	3.2
650.39514	2.0
668.05890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60373	0.1
51.63152	0.1
53.03941	0.2
53.84485	0.1
53.87714	0.2
55.05508	0.6
63.02357	0.7
64.27132	0.1
65.03940	0.3
66.49429	0.1
67.05501	1.5
69.03434	0.2
69.07064	0.3
70.46596	0.5
73.30331	0.1
75.10249	0.1
77.86243	0.1
79.05486	2.4
81.03422	0.2
81.07051	0.7
83.04988	0.3
83.08607	0.2
89.03911	8.9
91.05479	0.7
91.83445	0.1
93.07033	0.6
95.04968	0.8
95.08600	0.9
97.10154	0.2
102.37183	0.1
105.07025	0.4
107.04950	2.9
107.08610	0.4
109.10138	0.7
111.04442	0.4
117.03373	8.8
117.07005	0.3
117.92747	0.2
118.03682	0.1
119.08553	0.5
121.02843	1.0
121.10124	0.3
125.09616	0.2
131.08566	0.3
133.10118	0.4
135.04410	21.9
137.09624	0.5
139.03903	0.2
145.02840	13.4
145.10129	0.3
147.11678	0.2
149.09656	0.2
157.10126	0.2
158.06018	0.3
159.11790	0.2
163.03894	100.0
164.04205	1.2
171.11757	0.2
173.11797	0.2
173.13210	0.2
181.04930	0.4
186.05510	0.6
189.11223	0.3
203.12726	0.3
246.98657	0.1
275.20041	1.7
292.78958	0.2
293.21063	1.1
321.67361	0.2
337.09061	0.5
337.20410	0.2
364.51566	0.1
449.25351	0.2
532.12390	0.2
564.72424	0.2
629.28900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79599	1.1
59.97596	0.9
62.19222	1.1
94.05830	0.9
98.20651	1.7
124.00093	1.2
262.40234	1.0
296.90729	1.1
389.17685	1.2
402.18216	1.9
403.19449	1.3
415.19302	1.9
416.20056	1.6
417.20691	3.4
429.16818	2.9
430.21686	2.3
431.17813	6.4
433.23865	9.0
443.17880	1.4
444.19061	6.3
445.19656	6.7
446.20975	2.1
459.21759	60.2
460.22482	12.0
461.23456	8.6
470.19504	2.3
473.23468	5.1
505.25964	1.9
519.23633	10.2
527.57349	1.3
531.23840	4.1
532.24573	1.5
546.26117	3.1
547.27081	30.7
548.27246	2.0
574.25629	3.0
586.27948	1.4
591.25757	4.3
606.28375	100.0
607.29089	6.2
646.23590	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	647.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.03410	1.2
59.04967	1.0
65.13211	0.8
67.05511	5.1
68.28619	1.0
69.03397	1.2
69.07035	1.1
71.59084	1.2
72.55748	1.0
79.05470	3.2
81.03404	2.8
81.07056	2.8
83.08617	1.1
84.89048	0.9
85.55933	1.0
89.06020	1.3
91.05460	3.9
93.07043	2.2
95.08597	2.6
105.07027	4.7
107.08610	1.8
109.10149	2.3
117.06992	1.1
119.08583	1.9
121.10107	1.3
122.08545	1.0
131.08505	1.5
133.10121	1.2
145.10110	1.2
149.09576	0.9
159.11746	1.0
171.97566	1.0
175.35794	1.1
221.06671	4.7
236.09196	22.5
237.09927	3.9
265.05801	5.0
275.20099	2.6
281.08862	4.2
307.10483	20.9
321.12015	1.3
322.12863	97.7
323.13638	100.0
324.13956	3.7
335.13925	1.3
469.17349	2.2
527.21478	11.5
647.26929	54.1
647.46185	2.0
648.27478	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	643.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	0.9
67.05499	1.5
67.16010	0.8
67.49047	0.8
70.85487	1.7
70.85886	1.5
79.33123	0.9
84.82059	0.8
89.06044	1.3
147.11931	0.7
152.92099	0.8
518.91638	0.9
526.92212	1.0
643.25232	100.0
644.25598	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	643.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49209	0.5
55.05482	0.8
57.03407	0.5
58.99841	0.6
67.05508	3.6
69.07040	0.7
71.22068	1.4
77.00898	3.0
79.05432	1.9
80.11290	0.6
81.07002	1.7
81.15634	0.5
86.25664	0.5
86.91121	0.5
91.05441	1.5
93.07030	1.1
95.01947	2.8
95.08540	1.5
105.06992	1.0
106.06235	0.5
107.08544	1.2
109.10094	1.8
117.07044	0.5
119.08552	0.8
126.80598	0.6
130.97005	0.5
131.01904	5.7
133.10089	1.1
141.03937	1.1
143.08504	0.6
144.02594	0.7
145.03523	0.7
149.02888	1.4
154.03523	0.5
156.02621	1.2
157.03442	0.9
159.04990	1.6
159.35753	0.5
167.05466	0.9
169.03464	4.0
171.04979	0.7
173.06544	2.2
174.03725	2.5
182.04224	2.9
183.04935	0.7
183.08734	0.6
185.06531	1.8
186.07317	1.7
187.04517	2.4
187.08133	2.0
191.07558	1.9
195.05064	3.1
195.06615	0.7
196.05841	0.6
197.06693	0.9
198.07297	1.1
199.04530	0.7
199.08084	1.6
200.05298	1.3
201.09740	3.1
203.07600	1.1
205.07103	1.4
205.09064	1.2
205.10878	0.6
206.07898	1.1
207.04910	1.3
209.06497	1.5
211.08058	1.6
212.05290	0.9
213.05988	0.5
213.09702	3.1
214.06795	1.7
215.11232	2.0
219.10754	3.7
221.06650	0.8
223.08142	11.1
223.11630	0.9
224.08919	7.3
225.06009	1.0
225.09775	2.5
227.07565	0.8
227.11226	2.1
229.09169	2.8
231.10797	4.6
233.12187	0.9
235.08173	0.6
237.09676	0.8
238.06883	0.9
239.11244	1.1
241.09201	39.8
241.13000	1.7
242.09969	20.0
243.10764	8.6
245.12242	1.4
246.09650	1.1
247.10347	1.8
248.11093	0.6
255.10751	0.9
255.14510	0.6
256.07925	1.1
257.12283	1.0
259.10248	12.2
260.11047	9.0
261.11716	1.4
263.11353	0.9
263.14890	0.8
264.11118	2.8
265.12073	0.7
266.12271	0.7
269.12265	1.2
271.13824	0.6
273.12738	0.6
281.12372	1.4
282.13220	2.7
283.13748	1.7
287.18344	0.6
291.18054	1.0
295.13733	0.9
296.14435	0.7
303.18143	0.7
309.19083	0.6
315.18063	14.3
333.19077	35.5
334.19189	1.0
351.20154	100.0
352.20334	4.9
356.20721	2.6
369.21127	8.1
370.20724	0.6
374.21756	14.0
392.22852	0.8
468.15540	0.5
519.69220	0.6
548.67871	0.6
625.39288	3.9
643.40546	41.2
644.40723	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	643.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81433	0.5
57.07082	6.1
58.07420	0.7
66.28240	0.5
67.05493	0.6
69.07063	0.9
69.36292	3.5
69.36721	2.4
71.08636	5.3
71.39919	0.6
73.06552	1.9
79.05463	0.6
81.07092	1.1
85.02324	0.5
85.10182	3.7
86.15343	0.5
87.04477	0.6
89.06033	5.4
93.07029	1.0
99.11730	1.0
99.62587	0.5
111.11712	0.8
117.09157	1.0
133.08569	0.9
159.10617	0.5
159.20894	0.5
172.26720	0.6
177.11279	1.2
257.24777	0.9
301.27103	0.5
343.25894	0.5
448.43979	0.6
456.99850	0.6
643.25262	100.0
644.25537	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	642.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
55.01870	2.2
55.05513	9.3
57.03434	3.3
65.03949	1.5
65.81131	1.5
67.05502	21.0
69.07076	8.0
69.70883	11.5
79.05495	16.4
81.07050	23.0
83.08639	5.9
85.02908	3.4
91.03954	1.7
91.05473	22.4
93.07036	15.3
95.04950	2.2
95.08609	14.9
97.02856	2.2
97.06548	4.0
97.10189	2.7
105.07030	25.9
107.04941	2.3
107.06839	1.8
107.08595	10.8
109.06526	2.8
109.10155	8.1
111.35336	1.8
117.07013	10.8
119.08581	15.4
121.06524	2.4
121.10159	6.6
122.81952	1.4
123.08098	3.5
129.06992	8.0
131.08560	18.3
131.52357	1.5
133.06496	1.7
133.10133	10.0
135.11697	2.2
143.08569	7.3
145.10129	13.9
147.08092	2.3
147.11696	4.5
149.09599	2.2
151.11104	1.6
155.08589	5.0
157.10114	5.2
159.07928	1.7
159.11732	5.3
161.13260	1.9
163.11244	1.8
169.10135	3.4
171.11743	2.1
173.13292	3.4
181.10211	1.6
186.34843	1.8
213.16458	2.3
215.21260	1.8
223.14900	2.0
239.11832	1.5
259.16895	1.6
292.19281	2.3
353.24728	6.1
365.22247	1.5
371.25864	6.5
389.26904	8.4
445.29526	100.0
446.29898	4.2
463.30490	29.1
642.43854	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	642.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
54.27836	1.0
55.01871	2.8
55.05515	9.9
56.68673	1.1
57.03442	2.4
61.02919	3.3
62.52878	1.3
64.68969	1.3
67.05502	20.9
68.27684	1.4
69.03405	1.4
69.07066	6.1
69.83456	5.2
69.83876	2.7
71.08571	1.2
72.92075	1.3
79.05501	13.7
80.75530	1.2
81.07059	16.6
83.04961	1.3
83.08625	3.9
85.02926	3.0
91.05482	18.8
93.07041	14.9
94.88959	1.2
95.04967	4.0
95.08616	10.4
97.06544	2.8
97.10178	2.7
98.21440	2.4
105.07036	22.2
107.04967	2.2
107.08584	8.7
109.06530	3.9
109.10179	6.2
115.05450	1.6
117.07006	7.9
119.04948	1.2
119.08578	13.7
121.06522	2.6
121.10152	7.0
123.08044	2.1
123.11723	1.3
128.06223	1.6
129.07007	6.6
131.08580	16.1
133.10146	7.3
135.08080	1.8
135.11687	1.9
141.06969	2.1
143.08582	7.6
145.10120	13.4
146.66205	1.2
147.08060	2.6
147.11662	2.7
149.09544	1.3
155.08597	3.6
157.10112	4.4
159.11700	5.2
161.09660	1.3
161.13322	2.2
168.40799	1.4
169.10097	2.8
171.11682	4.5
173.13339	1.6
179.10626	1.3
181.10269	1.5
183.11732	1.5
185.13266	1.3
187.15012	1.4
197.13184	1.5
213.16254	1.4
223.20894	1.2
231.88028	1.3
275.20081	2.3
335.23804	1.9
343.26410	2.7
351.20059	2.9
353.24631	5.6
367.17557	2.6
371.25882	6.3
375.33530	1.2
389.26813	5.9
445.29520	100.0
446.29739	4.2
463.30484	25.6
521.11401	1.7
607.34961	1.5
642.29443	3.1
643.27777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.5
55.05431	0.5
65.19559	0.4
67.05416	0.9
70.84882	0.7
70.85223	0.9
74.67675	0.4
79.05398	1.0
79.77811	0.4
79.80774	0.4
81.06980	0.9
83.08526	0.5
84.93208	0.3
91.05379	1.0
93.06979	0.9
95.08536	0.5
105.06937	0.7
109.10102	0.4
111.94453	0.4
119.08453	0.5
121.10020	0.5
131.08479	0.5
133.10023	0.7
212.59628	0.5
277.21552	0.7
315.08920	0.4
395.11331	0.6
396.12308	1.4
397.12878	1.9
398.13898	0.9
399.14526	0.5
408.11600	0.4
409.13141	0.6
410.09027	0.4
410.13504	2.8
411.14590	6.6
412.15247	3.9
413.15976	2.8
414.16519	0.6
423.14609	1.5
424.11072	1.5
424.15250	2.7
425.16342	12.7
426.16934	9.6
427.17590	2.2
428.18292	1.3
433.20471	0.4
437.11472	0.5
437.16428	0.9
438.12463	3.9
439.13675	15.9
440.13544	1.1
440.19162	5.2
441.19287	34.5
442.14163	0.5
442.19406	2.9
451.13422	0.7
452.14297	4.1
453.15308	16.9
454.16092	4.9
455.21417	0.5
457.14554	1.0
458.15302	0.6
459.20648	0.6
463.13980	1.1
465.15451	0.7
466.16730	0.7
467.17169	24.6
468.17819	15.5
469.18820	12.0
470.18683	0.7
471.16833	1.5
472.17609	0.6
478.16110	0.7
480.17123	1.6
481.14697	12.7
482.14896	2.8
485.18140	1.3
486.18701	0.8
494.18616	0.4
495.16846	2.2
496.17157	10.2
497.17831	1.8
498.18948	0.8
499.19821	1.3
508.19299	0.7
509.18198	2.4
512.20435	0.9
514.22766	2.1
522.17688	0.7
523.19543	1.5
524.20471	0.6
525.17755	0.5
527.23297	2.7
528.23584	0.7
537.18988	0.5
542.21741	0.8
545.24091	0.6
555.22412	34.6
556.22711	2.4
583.21881	100.0
584.22058	8.8
587.24976	2.2
611.21161	1.4
614.23578	1.3
615.24524	12.0
616.25085	1.0
643.23914	47.3
644.24255	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	642.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01870	5.4
55.05505	1.6
57.03434	3.0
61.02931	3.4
65.03938	2.0
67.05506	1.9
68.99793	1.6
69.03432	15.9
69.95205	4.9
70.06567	1.2
71.04994	2.7
73.02907	4.5
80.65356	1.1
81.03416	14.9
81.07055	3.0
83.04988	1.5
85.02906	31.1
85.03429	1.6
87.00832	14.0
87.04475	3.5
91.05479	100.0
92.05817	1.4
93.07066	2.3
94.97237	1.1
95.04974	1.8
95.08608	1.8
97.02892	31.5
99.04474	6.6
105.01862	14.6
105.07070	1.8
107.04935	1.3
109.02883	11.6
115.03953	1.6
127.03913	35.1
128.82014	1.2
129.01836	1.6
137.02411	1.3
137.06004	1.9
145.04973	21.2
159.02911	10.3
163.03899	1.4
167.03448	1.4
180.97737	1.5
181.04927	2.2
231.04984	5.4
241.07378	1.5
245.08154	5.3
266.37616	1.3
336.83221	1.3
658.50464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01672	0.2
55.01869	1.7
55.05496	0.6
57.03432	1.1
61.02923	1.1
63.02380	0.6
68.99783	0.9
69.03428	5.4
70.04862	0.7
70.05280	0.5
71.04986	1.0
73.02940	1.0
79.71443	0.2
81.03417	6.7
85.02905	14.6
87.00832	5.4
91.03951	0.3
91.05481	1.2
91.13995	0.2
91.91492	0.2
93.07063	0.4
95.04980	0.3
95.08607	0.3
97.02900	4.7
99.04459	2.3
101.02386	0.3
103.03932	0.8
103.05453	0.2
104.08680	0.2
105.01866	3.8
105.07030	0.7
107.04906	1.2
107.08556	0.3
109.02124	0.4
109.02878	7.2
111.02463	0.4
113.01977	0.3
117.01853	0.8
117.06998	0.5
119.04946	0.8
119.08582	0.4
121.06508	1.7
123.04511	0.3
127.03930	11.4
128.06195	0.2
129.01843	1.0
130.07768	0.3
131.03084	0.4
131.04919	1.6
131.08569	0.4
133.06479	1.5
135.08044	0.9
137.05995	0.5
141.01466	100.0
142.01842	0.7
143.08522	0.4
145.04955	3.5
145.06444	1.3
145.10138	0.8
147.02869	0.6
147.04472	0.2
147.08035	0.9
149.05928	1.5
149.09616	1.2
155.08545	0.3
157.06480	0.3
158.07262	0.5
159.02902	3.1
159.08060	0.9
161.05972	0.6
161.09651	0.4
163.07375	0.2
163.11203	0.5
165.09058	0.6
167.06950	0.3
171.02892	0.6
173.05963	0.3
173.09619	1.7
175.11142	0.7
177.09142	0.8
181.04984	0.3
182.07344	0.2
183.08051	0.2
185.09692	0.3
187.11241	0.3
189.03931	2.2
189.05426	0.3
189.09122	0.9
189.12764	0.7
191.10803	0.4
197.09636	0.4
199.11266	0.3
201.09056	0.3
201.12790	0.7
203.06638	0.4
207.13879	0.3
211.11200	0.2
213.03896	1.0
214.99547	0.2
215.10539	0.4
217.08514	0.2
217.12335	0.2
219.13795	10.2
221.11690	0.3
225.03587	0.4
229.12309	0.3
231.04918	1.9
231.10117	0.4
231.13838	0.4
237.15013	0.4
243.06331	0.3
243.13808	0.9
245.07796	0.3
245.11584	0.2
247.13339	1.7
261.10797	0.3
261.14914	2.2
272.35071	0.2
273.11417	0.3
273.14825	0.7
281.15543	0.4
285.14825	0.5
289.10376	0.2
299.16370	0.5
303.15985	0.6
305.09827	2.3
309.14758	0.4
323.10214	0.2
327.15894	1.9
331.15045	1.4
345.16861	0.7
359.10083	0.4
359.14514	8.4
363.18079	0.3
371.05429	0.2
373.16135	0.3
377.15631	3.0
383.14575	0.3
387.14056	3.2
389.06775	0.4
401.15518	2.6
417.15228	0.5
425.15533	0.3
431.07919	0.7
431.17081	1.0
439.17441	0.3
443.16629	1.9
449.17908	1.0
458.74594	0.2
467.16803	1.3
485.17755	0.9
503.18747	1.0
529.16541	1.2
589.18671	1.3
663.27393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05516	2.9
57.03430	1.8
60.04507	1.1
61.02914	2.5
61.22755	0.5
65.03947	0.6
65.82027	0.6
67.05502	4.0
69.03411	1.3
69.07047	2.1
69.49005	5.1
70.06576	1.2
71.04990	1.3
73.02914	1.0
79.05068	0.6
79.05491	7.1
81.03403	1.6
81.07051	6.4
82.99594	0.5
83.04957	1.7
83.08633	3.1
85.02905	3.5
86.75209	0.6
91.03942	1.4
91.05466	2.1
93.07034	10.5
95.04953	2.7
95.08603	12.7
96.42205	0.6
97.02908	3.7
97.06503	1.4
99.04443	2.5
102.05511	0.6
105.07017	2.8
107.04963	4.0
107.08591	8.4
109.02920	0.6
109.06512	0.9
109.10139	1.5
111.04433	0.9
117.07011	2.3
119.08579	3.2
121.06500	1.9
121.10136	4.5
125.05973	1.4
127.03912	1.4
133.10095	1.3
135.08009	0.8
135.11691	22.3
137.05943	1.0
140.10712	1.4
145.04926	0.7
145.10120	10.9
155.08504	0.6
163.03888	1.0
163.06055	0.6
163.11177	30.3
167.07054	1.8
181.12262	6.1
182.35483	0.5
187.07414	0.8
200.48451	0.5
209.11662	0.7
217.60635	0.6
218.93343	0.7
227.12772	40.1
246.85399	0.6
283.15384	100.0
284.15720	1.6
341.13815	1.3
424.48273	0.7
426.32297	1.0
444.32993	1.4
445.20718	1.9
453.55377	0.7
643.21606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22317	3.1
53.03936	7.0
55.01881	25.9
55.05505	48.5
57.03436	11.7
57.07083	5.6
65.62206	4.1
66.54128	3.3
67.05505	89.3
67.05843	3.5
69.03423	8.4
69.07058	42.5
71.59373	6.8
72.22095	3.8
72.80003	3.9
79.05492	79.9
81.03416	10.8
81.07052	94.1
83.04979	12.7
83.08631	19.1
85.06535	4.4
89.95478	3.8
91.05477	80.4
93.07034	64.7
95.04961	17.6
95.08601	56.3
97.06525	35.9
97.10166	16.4
103.63818	4.8
105.07027	79.7
105.07689	7.2
107.04967	27.4
107.08601	62.9
109.06515	15.5
109.10157	28.2
111.08046	6.4
117.07007	27.5
119.08578	44.6
121.06483	9.3
121.10141	22.5
123.08091	5.7
123.11698	8.1
125.09632	13.0
129.06990	9.6
131.08543	36.1
133.10135	34.9
135.08034	11.7
135.11690	14.4
137.09612	7.5
140.25252	3.7
141.06973	5.6
142.07722	4.8
143.08569	13.7
145.10110	34.8
147.08051	7.7
147.11717	22.2
149.09608	27.4
151.11070	7.4
155.08559	8.2
157.10170	16.3
159.11690	23.4
161.13281	11.9
163.11171	20.6
168.07791	3.9
169.10095	7.6
171.11703	9.9
173.09711	4.6
173.13272	12.8
179.83165	4.4
181.10159	7.5
182.63602	3.8
183.11658	11.5
185.13234	5.9
187.11250	5.4
189.11250	9.8
197.13222	4.3
199.14760	7.1
209.13132	5.3
223.14903	4.1
227.12735	20.1
229.19614	5.2
239.18022	4.3
247.20590	5.0
257.18930	21.6
275.20044	100.0
291.19516	7.1
293.21109	11.5
349.23666	43.3
407.22083	4.0
408.80789	4.3
507.23926	10.0
529.35199	4.8
529.59247	4.1
531.38086	5.5
535.23663	6.0
543.36426	4.1
581.27972	7.0
595.25555	7.5
623.43274	28.5
641.30029	79.9
641.44257	38.1
642.29388	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	641.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01868	9.1
55.05517	30.8
57.03435	11.0
61.02931	27.3
65.03944	6.3
67.05505	64.6
69.03432	14.6
69.07073	30.3
71.04993	12.4
73.02911	9.0
79.05495	61.5
81.03421	16.3
81.07053	60.2
83.04974	6.9
83.08616	26.2
85.02907	30.3
85.06565	5.1
91.03957	11.5
91.05479	74.0
93.07039	58.3
95.04984	16.1
95.05476	2.5
95.08608	36.9
97.02892	16.7
97.06532	12.5
97.10162	7.8
99.08114	3.9
103.04004	2.7
103.05437	6.2
105.07036	56.4
107.04950	14.8
107.08602	29.3
109.02860	7.2
109.06506	12.2
109.10148	13.5
111.04374	3.7
111.08093	9.9
115.05433	6.2
116.06255	4.1
117.07019	47.0
119.08569	28.7
121.06528	9.7
121.10157	19.9
123.04440	3.8
123.08060	9.7
125.09655	5.0
127.03920	6.7
128.06187	13.2
129.07007	53.3
131.04945	4.8
131.08565	82.2
133.06494	8.7
133.10138	24.6
135.08073	8.7
135.11693	10.6
136.06177	14.4
137.05942	4.0
137.09613	5.2
139.11201	5.0
141.06992	22.7
142.07851	5.4
143.08562	45.0
145.06517	11.4
145.10121	33.7
147.08049	9.6
147.11696	11.8
149.09627	7.9
151.11224	4.4
153.06963	6.3
154.07790	5.0
155.08565	42.3
157.06491	4.9
157.10109	27.8
159.08087	8.9
159.10410	3.2
159.11638	17.1
161.09648	6.7
163.07594	2.9
163.11200	10.0
165.07004	4.8
165.12759	3.9
165.67824	2.6
166.07874	3.8
167.07187	4.5
167.08542	15.3
168.09338	3.7
169.10152	24.6
171.08092	7.0
171.11719	10.5
173.09622	5.2
173.13277	7.0
175.11191	7.0
177.12747	7.0
179.08569	7.8
181.04945	4.1
181.10100	17.4
183.11702	12.5
185.09621	3.8
185.13257	8.6
187.11157	6.6
189.12761	3.4
191.10565	3.1
193.10179	8.1
193.12245	4.7
194.19029	3.0
195.11716	18.9
197.13344	13.2
199.14799	5.9
201.12740	6.4
207.11696	7.5
207.13663	3.0
209.13217	12.4
211.14842	8.0
213.16389	4.0
215.14348	5.2
219.11723	4.9
219.13809	2.9
221.13268	16.9
223.14783	14.8
225.12616	4.4
225.16426	4.6
233.13321	3.6
233.15404	7.7
235.14888	8.6
237.16322	4.7
239.14345	8.7
241.16019	3.8
241.46529	2.8
245.15378	3.4
251.14459	3.0
253.15868	4.7
257.15375	10.3
271.16940	9.8
284.20450	3.4
285.18539	4.8
305.22812	2.6
323.23740	10.0
333.22089	24.7
341.24774	12.7
351.23178	75.8
357.12997	2.7
369.24210	61.1
387.25281	55.9
443.27881	39.8
461.28955	100.0
462.29257	3.5
479.29840	10.5
641.31531	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	641.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89183	4.8
53.03932	10.0
54.39042	5.2
55.01866	11.1
55.05508	39.4
57.03453	10.6
61.02933	45.1
65.03947	8.8
67.01583	5.0
67.05502	80.7
67.15964	5.1
67.23367	4.7
68.50066	4.7
69.03426	32.7
69.07066	39.0
71.04984	16.1
73.02905	20.7
77.95960	4.6
79.05490	75.3
81.03405	48.1
81.07054	94.4
82.03722	5.1
83.04982	7.5
83.08601	34.1
84.75581	6.1
85.02906	49.6
85.06496	6.5
91.03941	21.3
91.05479	100.0
93.07043	62.8
95.04967	21.9
95.08608	52.0
97.02898	41.5
97.06554	24.8
97.10155	13.6
98.21516	12.5
99.04389	5.6
103.05456	6.3
105.01855	8.2
105.07027	74.4
107.04939	23.9
107.08598	27.5
109.02856	13.0
109.06522	13.7
109.10150	16.9
111.04480	6.1
111.08099	9.7
115.03936	5.3
115.05450	12.9
117.07015	55.7
119.04934	8.9
119.08570	37.4
121.06509	17.2
121.10154	29.5
123.04398	7.6
123.08083	10.1
125.09600	10.3
127.03934	26.3
128.06230	12.9
129.06995	61.8
131.08562	93.2
133.06473	16.4
133.10162	36.6
133.11041	6.8
135.11694	16.6
137.05965	10.8
137.09605	7.5
139.11165	5.8
141.06996	32.4
142.07770	10.0
143.08559	47.8
145.04985	7.4
145.06488	18.9
145.10103	39.8
147.08032	14.7
147.11702	19.5
149.09608	21.8
151.07419	6.1
151.11145	5.5
153.06882	7.3
154.07645	6.2
155.08521	35.7
157.10109	28.7
159.08023	9.0
159.11723	39.6
161.09662	10.1
163.11189	15.5
165.06952	10.1
167.07005	16.3
167.08563	21.2
168.94371	5.6
169.10139	28.0
171.08064	7.5
171.11723	11.6
173.05942	5.8
173.09583	7.0
173.13274	12.1
175.11130	10.5
177.12764	15.7
181.04961	15.5
181.10136	26.9
183.11659	15.7
185.09592	7.6
185.13206	9.9
187.07549	6.7
187.11192	11.3
191.08540	7.0
193.10182	7.1
193.12149	6.8
195.11717	18.1
195.13632	7.4
197.13266	15.2
199.14795	9.2
201.12743	7.7
207.11755	6.4
209.13226	9.9
213.12680	8.0
213.16483	7.2
215.14232	12.2
221.13242	21.5
223.14839	20.5
233.13181	6.4
239.14375	12.5
245.15614	6.3
253.15929	8.2
257.15298	12.0
259.16910	8.2
271.16766	9.0
315.21182	7.9
323.23621	14.2
333.22137	31.1
341.24902	18.2
351.23212	90.0
369.24265	75.4
375.61844	5.7
385.12988	6.0
387.25296	62.2
433.29129	6.0
443.27856	70.7
461.28729	87.3
479.29568	29.7
579.28119	5.9
609.21381	5.6
641.32312	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	641.2967
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05492	2.4
61.21747	1.4
63.01844	1.5
67.05488	4.7
69.07072	1.7
71.59606	1.7
79.05490	4.6
81.07045	4.0
91.05470	4.5
93.07028	5.7
95.04966	1.6
95.08602	3.0
97.10159	1.5
105.07016	4.7
117.07026	1.6
119.08534	2.2
121.10129	1.7
145.10115	2.5
174.98332	1.6
211.12332	1.6
225.13731	1.7
227.11720	1.4
240.16359	1.5
272.75259	1.6
274.58078	1.4
275.20026	2.3
384.16910	2.2
391.19208	2.5
392.19705	2.6
395.36035	1.7
403.19446	2.0
405.21118	2.5
406.21234	3.7
407.21970	3.6
412.16858	2.2
416.20117	2.3
417.20773	4.6
418.21548	3.3
419.22455	2.5
421.23584	5.1
422.24243	6.3
431.22739	3.2
433.23825	5.8
434.24335	7.4
444.18777	2.7
445.24246	2.9
446.24463	2.8
449.23557	2.4
459.21552	4.4
462.20474	4.8
463.21194	4.6
472.22736	2.0
473.23331	3.2
474.23965	2.8
475.21140	4.7
476.22092	2.2
477.22794	13.5
487.24973	8.0
489.22678	2.4
491.24454	4.9
505.25790	2.8
519.27649	2.4
535.23682	2.4
545.25519	10.7
547.27063	17.6
549.24988	9.6
550.25787	16.2
563.26587	4.1
564.26892	3.1
577.27490	1.6
579.29053	6.5
581.27484	2.0
591.26251	12.2
605.27393	20.2
609.26892	10.5
623.28619	100.0
624.28174	4.0
641.29456	3.7
641.40405	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	641.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73431	1.3
55.01897	1.5
55.05523	6.4
58.41770	1.3
64.84839	1.4
67.05508	10.4
69.07065	4.4
69.87945	3.8
69.88358	4.3
72.83839	1.2
79.05470	7.6
81.07043	10.3
81.12049	1.1
83.08620	3.0
88.23134	1.4
91.05486	8.6
93.07034	6.7
95.04975	2.5
95.08599	4.8
97.10172	2.2
98.20787	1.3
105.07008	7.3
107.04942	2.6
107.08578	6.4
109.06503	1.9
109.10153	3.2
117.07019	3.7
119.08611	6.6
121.10172	1.8
125.09618	2.4
129.07010	2.3
131.08563	4.1
133.10120	4.5
135.11679	1.4
143.08553	1.6
145.10110	3.0
147.11685	2.8
151.11168	1.7
155.08542	2.1
159.11656	1.7
161.13240	2.3
171.11646	1.4
189.05560	1.4
218.39310	1.3
227.12669	1.4
257.19534	1.7
259.20554	2.3
273.18668	1.4
275.20108	2.7
289.18283	1.7
291.19498	5.0
298.77240	1.3
333.24191	1.6
349.23483	1.6
389.17563	1.9
401.17688	2.0
402.18555	1.9
403.19116	4.0
404.19727	1.8
405.20935	1.4
406.21518	2.5
407.22202	2.4
415.19315	2.1
416.19785	4.4
417.20734	4.3
418.21445	3.1
421.23932	1.9
429.20947	3.4
430.22003	2.4
431.22272	4.3
433.23993	8.5
435.21634	2.3
444.23355	2.1
445.24603	2.4
447.18085	1.8
447.25558	2.6
457.19995	2.3
459.21655	4.8
460.22537	3.7
461.19815	2.1
462.20621	4.9
463.21072	5.4
472.22342	1.8
473.23346	4.2
474.24069	3.4
475.21118	7.2
476.21750	2.1
477.22906	21.2
485.22845	1.6
487.24884	8.8
489.22913	3.1
491.24197	5.5
492.24927	2.1
503.24475	1.8
505.25922	5.2
506.26514	3.9
519.27606	3.5
535.23279	1.9
543.37274	1.5
545.25330	9.9
546.25433	2.0
547.26923	18.1
549.24969	17.5
550.25690	25.3
563.26563	4.6
563.43066	1.5
564.26947	3.1
577.27460	1.8
579.29828	12.2
591.25958	17.2
605.27606	27.0
623.28607	100.0
623.42725	4.4
624.28711	3.1
641.43945	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	641.2962
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01888	0.5
55.05532	0.5
58.57489	0.5
67.05508	1.8
68.08298	0.5
69.25641	5.6
72.21326	0.5
79.05501	1.6
81.07056	2.4
83.05022	0.5
91.05488	1.4
93.07056	0.9
95.04976	0.7
95.08557	0.5
101.06050	1.2
105.07019	1.3
107.08587	0.9
119.08605	0.8
121.10160	0.8
123.08070	0.6
127.34611	0.5
129.37617	0.5
131.08534	0.5
133.10048	0.8
197.10774	0.6
275.20132	1.6
286.98999	0.7
375.16199	0.7
389.17960	0.7
391.19461	0.9
403.15308	0.6
404.15952	0.6
405.16541	0.9
405.21384	0.8
406.53040	0.6
407.22531	0.7
418.17932	2.2
419.18607	1.9
420.23431	0.7
422.21329	0.7
430.21402	0.6
432.20026	0.8
433.20294	4.4
434.21207	2.5
437.19763	0.6
445.20712	0.8
446.17264	1.1
447.22073	1.9
448.22632	1.9
449.23593	1.1
451.21857	0.8
460.20081	0.5
461.19571	9.1
462.20355	4.2
463.21222	1.0
465.19385	1.8
467.24484	1.9
475.21484	1.0
476.22006	2.4
477.22925	2.9
479.21051	1.5
489.23364	0.8
493.22305	2.0
494.22955	3.0
495.23734	1.0
520.24591	0.8
521.22131	0.9
535.27740	0.6
548.23956	3.2
549.25677	1.7
553.28101	0.7
563.26611	6.1
564.26227	1.0
565.24750	0.6
581.27588	11.0
608.26355	1.9
623.28668	5.0
641.29675	100.0
642.29926	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2966
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05508	1.1
56.36019	0.4
60.32618	0.4
62.23386	0.4
65.78136	0.3
66.92699	0.4
67.05521	2.2
69.03433	0.7
69.07066	0.7
69.63577	0.4
71.59101	0.5
71.59449	0.5
79.05473	1.7
80.23746	0.3
81.07069	2.6
89.32305	0.3
91.05468	1.8
93.07048	1.6
95.04974	0.4
95.08622	1.0
97.06503	0.4
105.07037	1.3
107.08602	1.2
109.10155	0.5
117.07019	1.0
119.08578	1.2
121.10171	0.9
123.11655	0.4
129.06931	0.5
131.08592	0.5
133.10165	0.8
145.10097	0.8
147.11722	0.6
149.09662	0.5
175.11195	0.4
275.20059	1.0
335.25797	1.0
356.18051	0.4
377.17889	1.1
377.88129	0.4
379.19205	0.9
391.19290	1.4
392.20084	0.9
393.20911	1.9
395.22195	0.5
405.16528	3.3
405.21658	0.6
406.17688	1.1
406.22321	0.5
406.83289	0.3
407.17700	0.7
407.22733	4.5
408.23166	0.5
409.23969	0.4
419.18228	3.6
420.19150	2.3
421.20203	4.9
422.20294	0.5
423.21930	1.3
431.31931	0.4
433.20355	5.2
434.21460	3.4
435.21973	7.3
436.22443	1.3
447.21777	1.6
448.23108	0.7
449.19522	9.2
450.20270	0.7
461.18878	0.5
462.20029	0.6
463.21204	4.2
464.22061	2.5
465.18433	0.7
467.24216	1.1
476.22937	0.5
477.23022	1.0
478.23895	0.4
479.20178	1.0
480.21579	0.6
481.22339	2.1
492.21521	0.7
493.21753	2.8
494.23068	3.9
495.23795	3.7
507.23993	2.3
521.25763	10.3
522.25781	0.8
523.27094	0.7
535.23822	1.1
539.22888	1.3
543.36658	0.6
549.25055	1.0
550.24725	0.4
553.26703	0.7
563.26227	1.3
567.25763	0.7
581.27679	18.8
582.28015	1.4
595.25928	0.6
609.27631	0.5
641.29669	100.0
642.30060	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	641.2964
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05523	0.7
57.03431	0.5
67.05511	1.6
69.39794	3.6
69.40202	1.1
79.05479	1.1
81.07042	1.4
91.05505	0.7
93.07050	0.7
95.08588	0.7
98.21472	0.7
105.07037	0.9
107.08608	0.9
119.08621	0.8
131.08568	0.4
159.11687	0.5
191.25139	0.4
192.05960	0.5
209.10709	0.6
223.16479	0.4
225.10176	0.5
235.08769	0.5
243.09729	0.5
251.11852	0.5
265.13348	0.6
267.11511	0.5
275.20242	1.0
285.54633	0.4
286.98990	1.1
314.13043	0.5
325.15494	0.6
376.16928	0.6
391.19394	1.0
403.19342	0.6
404.16205	0.8
405.16434	0.5
405.21155	1.4
406.21640	1.1
407.22409	0.9
416.84857	0.5
417.16953	0.8
418.18042	1.7
419.18616	2.0
420.23779	0.8
430.21576	0.9
432.20056	0.6
433.20355	3.3
434.20920	2.6
435.21942	1.6
445.20346	0.8
447.18063	2.2
447.22632	1.5
448.22787	0.9
449.23599	1.4
451.21359	0.8
461.19595	10.8
462.20523	3.6
463.21155	0.9
465.19345	1.8
467.24506	2.5
475.21201	0.9
476.22012	2.8
477.23001	2.8
479.20697	0.8
480.21683	0.9
489.22998	0.8
493.22443	1.4
494.22989	2.5
495.23740	2.1
505.22235	0.7
507.24542	1.2
520.24854	0.6
521.22058	1.7
533.21643	0.6
535.26892	1.0
548.24213	3.1
549.25214	2.2
553.28180	1.4
558.56903	0.6
563.26660	4.3
565.24664	0.8
576.24487	0.7
581.27618	11.1
582.28265	0.7
593.24200	0.8
597.27856	0.6
608.26520	2.0
609.27325	0.7
613.29987	0.8
623.28711	2.3
641.29681	100.0
642.30084	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	640.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
61.95647	1.0
64.01657	1.6
67.05492	1.5
67.52685	1.1
69.03419	2.0
69.07079	2.0
70.06592	2.9
71.58580	1.4
71.59000	1.5
72.59502	1.2
79.01624	3.7
79.05511	2.4
80.04757	1.6
81.03415	1.4
81.07029	1.9
82.00336	6.2
85.02915	4.7
85.94540	1.1
86.09713	1.3
91.05491	2.4
93.07037	2.6
95.04949	1.7
95.08607	4.0
97.02715	1.3
98.35499	1.1
102.65204	1.0
103.93225	1.1
105.07033	2.1
106.06577	4.5
107.08617	2.7
108.04241	1.6
109.02911	1.6
109.10184	1.9
119.08553	1.8
121.10160	3.9
123.04379	1.4
127.00029	22.0
127.03887	2.5
127.08728	1.4
128.04741	6.6
129.05559	1.9
137.05972	2.0
138.05429	1.3
139.03732	1.8
140.00783	1.2
140.06790	1.4
141.05232	18.2
143.02449	1.0
147.04379	1.2
147.90013	1.4
151.07567	2.4
153.01613	6.8
156.07851	15.9
167.07166	1.4
168.06398	1.4
169.01096	4.1
169.04778	3.7
171.99831	2.4
177.16428	4.9
181.04816	3.9
182.01904	3.9
183.02727	3.0
185.04233	5.2
198.05180	1.5
209.04291	1.3
210.08519	4.2
211.02324	1.3
213.03682	2.4
213.09979	11.0
214.10698	8.1
219.43140	1.0
227.05276	5.6
243.04764	16.0
253.03290	4.3
270.03625	1.4
271.04233	21.4
277.09811	100.0
277.63815	1.3
278.10239	2.6
284.11215	2.0
287.03717	34.1
288.04465	3.3
299.11154	2.2
300.10504	5.4
334.05148	4.5
342.11624	14.3
343.10141	3.3
344.09613	4.6
359.12079	1.6
383.18069	2.3
386.10553	55.6
399.17319	2.1
419.10446	2.7
427.16901	10.5
443.16425	11.6
532.22461	1.9
573.84766	1.2
576.21558	11.8
577.22687	1.7
596.22510	19.0
640.21429	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	639.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
53.73371	1.8
55.01872	7.5
55.05506	20.7
57.03445	8.8
57.07080	3.1
57.66665	1.6
61.02937	2.2
63.81630	1.6
65.03931	3.5
67.05505	90.7
69.03427	23.3
69.07066	23.4
69.68139	1.7
69.83860	9.0
71.01343	2.6
71.04192	1.6
71.04994	39.9
71.77545	1.5
73.02906	1.8
73.06574	1.7
79.05492	51.3
81.02922	2.1
81.03415	56.8
81.07054	100.0
83.04975	20.1
83.08622	15.3
85.02888	11.2
85.06545	8.4
90.96133	1.6
91.05474	47.4
91.06010	3.1
93.07041	60.5
95.04981	12.9
95.08604	25.9
97.02888	16.0
97.06519	14.4
97.10168	6.3
98.21500	2.1
99.04446	6.9
99.08096	5.3
101.02369	2.1
105.07022	24.6
107.04969	10.2
107.08576	32.7
109.02882	13.7
109.06524	5.5
109.10172	11.5
111.04450	8.7
111.08072	7.4
115.05441	2.4
117.07010	13.0
119.08588	14.3
121.06519	3.9
121.10148	18.9
123.04407	2.3
123.08131	2.0
123.11700	12.0
125.09650	4.2
127.03919	14.7
129.05522	2.2
129.07019	4.3
131.08568	16.9
133.06537	3.4
133.10138	22.8
135.04387	3.0
135.08063	3.6
135.11697	11.9
137.09547	1.9
139.11163	2.0
143.08638	3.8
145.10107	4.6
147.08046	3.0
147.11700	10.6
149.13249	25.8
151.11163	7.2
155.08600	2.6
157.10124	4.9
159.11685	18.1
161.09633	2.1
163.11223	5.1
165.05426	2.7
165.12776	4.2
169.12148	2.0
171.06540	2.7
171.11749	2.0
173.04460	12.7
173.09627	1.9
173.11783	2.2
175.11174	3.2
177.12691	10.9
183.06509	1.9
183.13808	5.0
183.38890	1.5
187.13257	9.9
193.12259	5.4
195.12065	2.5
195.13777	16.7
201.14745	2.8
209.11775	5.7
211.13307	2.3
213.14914	4.8
227.12782	7.7
257.17542	3.2
267.15948	3.4
269.17407	11.1
282.58829	2.0
283.19022	4.7
299.18433	1.9
303.15692	2.6
321.17126	2.0
339.17966	11.6
369.23889	2.1
371.25809	2.9
377.19724	3.0
378.07422	1.8
395.20657	7.2
403.28580	3.8
421.29596	3.3
423.26804	2.3
437.28958	24.5
451.30652	8.2
463.30524	3.5
495.33109	6.0
517.40881	1.9
563.31512	2.0
603.32489	2.0
607.34717	11.6
621.22919	2.0
621.32196	2.4
639.37360	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.1
55.01871	6.0
55.05509	18.9
57.03439	7.2
57.07063	2.5
59.04984	1.5
62.15198	1.1
65.03927	3.6
67.05502	70.2
69.03426	20.2
69.07066	19.3
71.01350	2.0
71.03828	1.3
71.04987	30.4
71.58825	2.3
79.05489	38.9
81.02922	1.8
81.03414	45.2
81.07054	100.0
81.82269	1.3
83.04982	12.3
83.08613	12.5
85.02906	8.4
85.06541	7.3
91.05482	41.3
93.07038	45.6
95.04955	17.8
95.08614	24.2
97.02891	12.3
97.06531	11.1
97.10175	3.2
99.04455	6.3
99.08091	2.1
105.07030	22.8
107.04945	8.3
107.08587	21.8
109.02855	13.5
109.06499	5.3
109.10155	13.3
111.04430	10.3
111.08082	5.2
113.49854	1.6
117.06200	1.7
117.07001	12.7
119.08572	9.9
119.61182	1.3
121.06508	4.1
121.10139	15.8
123.08138	2.4
123.11720	9.5
123.69711	1.4
125.09614	4.3
127.03892	9.5
129.05534	1.6
129.06989	4.2
131.08565	10.1
133.06442	3.3
133.10127	19.1
135.08063	2.1
135.11678	10.7
137.05997	2.0
137.09637	2.4
140.50195	1.3
143.08569	2.3
145.06493	3.8
145.10103	4.6
147.04414	1.5
147.08035	1.7
147.11703	8.6
149.06007	2.1
149.09683	2.3
149.13243	18.8
151.11189	5.8
153.05383	1.4
153.12738	1.5
155.08490	2.2
157.10120	1.9
159.11691	13.4
161.13176	1.5
163.11143	4.1
165.12794	4.2
171.06561	2.4
171.11635	1.4
173.04463	11.8
173.11723	3.1
175.11205	2.2
177.12720	8.0
181.10207	1.3
181.12138	1.8
183.06541	2.4
183.13821	4.1
187.13290	9.1
189.11278	2.2
191.10674	3.0
193.12251	4.6
195.13800	14.8
201.14795	2.8
209.11737	3.6
211.13344	2.2
225.14796	1.9
227.12819	3.5
229.14403	1.9
257.17493	3.1
267.15964	5.0
269.17438	9.1
283.18918	1.6
299.18610	1.6
301.20236	1.7
303.15836	2.6
321.17139	2.6
339.17899	6.0
377.19513	3.3
395.20602	4.5
421.29480	3.0
423.27512	2.2
435.31409	2.2
437.28967	20.3
451.30521	9.8
453.32114	2.1
459.27762	1.8
463.30490	4.2
477.27811	2.0
495.32932	4.8
542.97748	1.5
589.33429	2.2
607.35083	10.9
621.33813	1.9
639.37396	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	639.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01473	2.5
53.03943	12.1
55.01871	13.2
55.05265	2.8
55.05509	33.5
57.03426	10.4
57.07053	2.4
65.03928	6.0
67.05501	100.0
69.03426	39.2
69.07066	25.7
69.94848	5.9
69.95261	10.1
71.01354	5.0
71.04977	13.9
73.02882	2.6
79.05491	64.1
80.12939	2.3
81.03415	86.5
81.07053	89.0
83.01335	2.8
83.04977	30.0
83.08607	18.7
83.64046	2.3
85.02904	22.7
85.06516	7.0
87.04454	3.0
91.05479	49.2
93.07035	69.4
95.04979	18.9
95.08600	28.2
95.45772	2.2
97.02882	34.3
97.06538	17.7
97.10177	13.0
98.20770	4.6
99.04451	8.7
99.08053	3.0
105.07029	26.7
106.07314	3.0
107.04949	21.1
107.08588	37.0
109.02877	32.9
109.06492	9.3
109.09572	2.7
109.10165	29.2
111.04427	11.5
111.08051	10.1
113.02358	3.7
115.05444	3.3
117.07010	15.9
119.04913	3.2
119.08575	19.1
121.06480	7.0
121.10117	25.5
123.04457	3.1
123.08057	7.4
123.11657	4.2
125.09628	12.0
126.11372	2.6
127.03903	23.0
128.06322	2.1
129.05490	3.2
129.06998	5.9
131.04950	2.6
131.08562	13.3
133.06514	4.4
133.10129	16.6
135.08031	4.2
135.11668	21.1
137.09604	3.8
139.11188	3.8
143.08569	4.1
143.10664	2.5
145.06476	2.6
145.10109	12.9
147.04405	2.4
147.08038	4.5
147.11674	9.1
149.09641	3.7
149.13243	22.9
151.11183	2.8
153.12714	7.5
155.08585	4.2
157.10034	3.1
159.07976	3.7
159.11710	8.7
161.05899	2.6
163.11131	15.2
165.09071	2.7
165.12758	2.5
169.10089	2.7
173.04430	29.3
173.09610	5.3
173.11786	5.5
175.11263	2.7
177.12703	5.5
181.12198	10.0
183.06551	3.6
187.07553	2.4
189.11275	5.1
191.10640	10.9
195.13792	9.9
209.11711	27.4
211.13240	3.4
213.14853	3.5
214.88466	2.6
225.92079	2.4
227.12729	27.7
229.14392	6.2
267.15991	3.0
269.17447	15.0
283.15375	10.1
286.99005	15.6
290.86710	2.6
339.18271	2.8
353.16025	7.1
409.18423	3.3
423.27264	11.5
427.19278	7.0
437.28815	3.3
459.27286	6.1
477.28433	10.2
495.29510	5.6
621.32611	10.3
639.24463	4.7
639.33557	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	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.7
55.01872	11.8
55.05509	36.4
57.03440	12.7
57.07068	4.0
59.04982	3.7
65.03947	4.5
67.05502	100.0
69.03426	38.6
69.07067	24.5
71.01334	3.8
71.04982	17.7
71.59005	3.5
73.02887	2.7
74.81112	2.3
79.05058	4.2
79.05489	58.7
81.03416	82.0
81.07053	91.6
83.04982	19.2
83.08633	19.3
83.91164	2.5
85.02906	19.8
85.06533	5.5
91.04900	2.8
91.05474	53.4
93.07037	52.3
95.04964	17.2
95.08601	32.8
97.02888	23.1
97.06528	14.8
97.10165	10.1
97.35246	2.5
99.04429	10.8
99.08076	3.9
103.05439	3.2
105.07032	24.8
107.04967	12.1
107.08601	37.1
109.02883	22.8
109.06502	6.4
109.10159	32.0
111.04421	11.6
111.08088	7.5
114.89684	2.7
115.05442	2.9
117.07004	12.8
119.08582	18.3
121.06494	6.9
121.10133	19.9
123.04429	3.5
123.08105	6.7
123.11699	9.9
123.39959	2.6
125.09604	13.1
127.03897	19.3
129.05478	3.0
129.07005	5.7
130.07838	2.4
131.08612	15.2
133.06516	3.8
133.10130	10.9
134.60443	2.7
135.07985	6.1
135.11681	13.7
137.09610	6.7
143.08543	6.2
145.10117	12.8
147.04483	2.6
147.08037	4.6
147.11690	9.1
149.09630	3.3
149.13257	19.7
151.11160	5.8
153.12709	4.3
155.08606	2.6
156.82346	3.7
157.10118	5.3
159.11711	13.1
161.09641	3.6
161.13289	3.7
163.11153	16.7
165.12723	2.7
173.04460	28.8
173.11749	9.7
173.13179	2.8
175.11211	6.9
177.12794	7.1
181.12271	4.5
183.06471	3.9
187.13193	3.1
189.11192	4.3
191.10706	4.9
193.12256	4.7
195.13802	15.6
209.11667	14.7
225.11153	3.1
227.12738	17.6
229.14261	6.7
265.14487	2.5
267.16080	4.0
269.17407	12.1
281.13635	2.5
283.15515	7.4
285.17209	3.5
297.16904	3.3
303.15942	5.3
353.15784	4.2
423.27432	6.2
427.19568	4.7
437.28937	5.6
456.36987	2.9
459.27603	3.0
477.28564	7.2
495.29584	2.9
621.32385	8.3
639.33447	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.0
55.01862	14.2
55.05511	38.1
57.03445	16.5
57.07072	3.3
59.04977	6.1
61.34673	3.3
65.03928	6.7
67.05503	91.6
69.03423	37.9
69.07069	29.3
71.01328	4.0
71.04981	20.6
71.58808	6.3
73.02925	5.2
77.44189	3.2
79.05066	4.9
79.05491	64.3
81.03413	90.5
81.07053	100.0
83.01341	4.6
83.04971	20.6
83.08624	32.3
85.02905	18.0
85.06539	6.2
91.05478	55.8
92.78252	2.9
93.07043	68.1
95.04960	25.5
95.08598	28.7
97.02882	29.4
97.06548	17.2
97.10152	13.3
99.04436	9.6
103.05448	3.5
105.07014	29.5
107.04950	17.4
107.08583	26.7
109.02863	24.1
109.06498	8.9
109.10146	29.4
111.04438	13.7
111.08067	7.7
115.05421	6.9
117.07029	24.5
119.04975	4.0
119.08590	27.3
121.06520	8.2
121.10159	21.4
123.04417	10.0
123.08053	5.7
123.11692	5.5
125.09653	17.1
127.03894	15.8
128.06226	4.2
129.07019	18.2
131.04912	4.2
131.08565	22.3
133.06483	9.4
133.10098	17.0
135.04390	3.6
135.08034	9.0
135.11676	12.3
137.05951	3.6
137.09648	4.0
143.08546	8.9
145.06482	7.6
145.10097	14.1
147.04369	7.1
147.08020	7.7
147.11670	13.0
149.09604	7.3
149.13231	12.5
153.12733	10.5
155.08519	8.8
157.06508	3.9
157.10118	8.2
159.11685	13.7
161.05933	4.9
162.67821	3.1
163.11168	19.0
171.11716	3.8
173.04451	14.2
173.09569	4.1
173.11781	8.7
177.12764	6.1
181.12228	6.3
185.13199	7.4
187.11223	3.7
189.09421	3.8
189.11136	6.3
191.10664	12.6
193.12225	8.3
195.13806	12.3
204.83673	3.4
209.11682	26.3
213.12857	5.2
215.14333	7.1
225.11224	4.0
227.12737	29.3
229.14345	6.4
231.13820	8.3
267.15903	5.1
269.17484	11.4
275.16486	3.8
283.15451	11.1
305.17346	5.4
339.17996	4.5
339.65762	3.5
353.16019	5.8
359.55753	3.5
367.22583	4.2
395.20764	4.0
413.21112	3.6
427.19589	3.9
436.80206	3.6
437.28961	5.7
441.26312	12.1
459.27295	29.4
477.28091	16.7
487.16403	4.7
495.29300	7.6
519.19208	3.9
603.32837	3.7
621.31799	10.4
639.33612	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	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
61.83825	0.3
67.05500	1.0
69.07085	0.4
79.05495	0.9
81.07076	0.7
82.66924	0.3
91.05438	0.5
93.07029	0.6
94.73573	0.3
95.04935	0.4
105.07024	0.5
109.06615	0.3
127.14191	0.4
159.11647	0.4
197.10727	0.4
204.06566	0.4
211.74582	0.4
219.11978	0.3
222.82655	0.4
225.10251	0.5
239.11801	0.4
251.11736	0.5
313.27444	1.0
314.13358	0.5
326.12817	0.5
331.35355	0.5
340.10992	0.4
391.15671	1.0
392.16458	0.9
393.17212	1.2
405.17270	1.5
406.17911	1.0
407.18585	2.9
417.16870	0.5
418.18094	0.4
419.14166	0.6
419.18750	1.3
420.14963	0.6
420.19656	1.1
421.20480	5.7
422.21063	1.7
423.21768	0.6
431.19037	0.6
432.19730	0.7
433.16180	1.1
433.20505	1.4
434.16837	1.7
435.17215	2.3
435.22537	1.1
436.22903	2.9
437.24033	0.6
445.16412	0.5
447.21786	1.7
448.18756	2.5
449.19653	9.9
450.20129	2.5
451.21255	0.6
458.50882	0.4
459.18259	1.4
460.18726	0.6
461.19727	1.3
462.20422	0.5
463.21689	5.2
464.22092	5.6
465.22906	1.3
474.21021	0.9
475.21646	1.7
476.18784	0.6
477.18869	5.6
478.19772	2.2
479.20261	0.8
487.21194	0.5
491.20609	0.7
492.21652	1.0
493.22324	1.4
504.21628	0.5
505.22427	0.9
507.23697	1.4
509.22147	0.4
521.22131	1.4
523.23303	2.0
533.21344	1.0
535.23492	3.4
536.24304	1.6
537.21906	1.3
549.21417	0.7
550.25262	0.8
551.26923	2.1
561.25024	3.0
563.22845	0.4
564.23621	3.4
565.24219	2.5
567.26703	0.5
579.26019	8.1
580.26404	0.7
581.24261	0.9
595.25543	2.5
596.26215	1.2
607.25519	0.6
610.27740	1.0
611.29156	0.4
621.27130	5.8
622.27490	0.6
624.25775	5.6
639.28125	100.0
640.28302	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	639.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68261	1.6
60.08822	1.8
60.73824	2.0
73.66473	2.0
113.05247	1.9
120.31351	1.7
192.97292	1.8
196.09978	1.9
204.06602	1.8
209.10707	4.4
223.12230	2.4
225.13846	3.1
237.13907	1.9
239.11671	3.0
267.14532	2.0
268.41302	1.8
314.13135	1.8
352.14087	2.4
403.19244	2.7
417.21069	4.3
429.16946	4.4
431.18552	6.8
432.23074	2.9
433.23950	6.9
444.19183	8.6
444.33218	1.9
445.20016	5.6
449.19800	2.1
450.19583	2.6
459.21860	42.0
460.22903	11.2
461.23349	5.9
473.23108	3.1
475.21173	3.1
505.25986	2.5
519.24158	8.3
523.23956	3.6
531.23730	2.6
547.27161	27.9
551.26111	2.7
561.24841	4.2
579.26050	9.0
582.23956	2.0
589.24792	3.1
591.25769	3.5
593.24390	2.5
596.25928	2.8
597.26654	2.9
606.28326	100.0
607.25580	18.6
610.26563	2.3
611.28778	17.7
621.26691	5.9
622.27557	7.9
624.25537	2.6
639.27917	42.0
640.27728	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	638.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92743	0.6
55.05515	2.4
62.42171	0.5
67.05487	0.4
69.03436	0.8
69.30209	4.2
69.30621	1.1
70.02975	0.5
70.06594	100.0
71.06918	0.7
71.82620	0.5
72.08158	15.3
84.08110	0.5
85.02911	0.6
85.04000	0.6
86.09679	0.5
88.04010	2.2
91.05506	3.6
93.07031	1.0
95.04964	0.9
97.07688	1.3
98.06066	4.9
103.05489	1.4
105.03410	1.6
105.07087	0.5
106.06540	0.4
107.04968	1.1
115.08707	4.0
115.09484	0.6
118.06541	9.9
119.04959	1.0
119.07354	2.0
120.08115	4.3
123.04459	0.7
125.06220	0.4
125.07100	2.4
126.05592	1.2
136.07584	2.6
137.06160	0.6
137.07089	2.5
144.08105	0.7
146.06012	23.5
153.09044	1.0
157.59038	0.5
160.11298	0.7
162.77600	0.5
165.05545	0.7
167.07123	0.7
167.08649	0.8
169.13351	9.6
170.09746	0.8
172.07709	0.7
172.11212	20.5
173.07135	0.7
174.05571	1.4
180.11328	0.5
181.08781	0.6
182.08215	1.3
187.12396	1.5
197.12871	10.8
198.09201	0.5
199.12402	0.9
207.08121	0.8
215.11742	0.7
216.06589	1.0
216.12531	5.5
217.06047	0.6
217.13361	1.5
219.08104	0.9
223.07571	2.3
229.53084	0.5
233.09189	1.0
236.10703	4.8
243.11276	2.6
246.09283	1.6
259.07245	1.4
261.08710	7.2
261.11252	0.7
265.08655	1.7
277.08298	1.8
282.11246	2.8
292.09784	0.7
297.10739	0.7
298.19266	2.1
316.09872	0.6
323.08813	1.1
342.18137	5.8
358.14487	0.5
385.13953	1.3
397.13919	1.2
414.16602	0.7
419.65521	0.5
442.16025	5.1
470.15588	1.9
511.22012	2.9
523.25653	3.0
539.21375	22.3
540.21875	1.1
621.25909	0.9
638.28094	26.6
639.28259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2652
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
61.02725	0.3
66.28556	0.3
67.05452	0.4
71.05354	1.0
71.69650	0.3
81.07006	0.4
93.68382	0.4
119.87122	0.4
133.63225	0.4
294.93539	0.4
377.17352	0.8
384.17450	0.4
386.15338	0.6
387.15933	0.7
389.17889	0.4
391.19321	0.6
392.20132	0.5
393.20746	1.6
398.16293	0.6
399.15915	1.6
400.17001	1.8
401.17465	2.6
402.18384	0.7
407.22400	2.0
412.17151	0.5
413.17673	2.0
414.18469	2.8
415.19339	5.0
416.20285	0.8
417.21222	0.6
421.20062	1.5
425.17795	0.8
427.19220	1.2
428.20401	2.8
429.21426	5.1
430.21423	1.7
435.21765	1.5
439.19363	0.7
441.17200	1.2
442.17502	0.9
443.18237	2.2
443.22546	2.8
444.18430	2.3
445.20270	1.6
455.18878	0.8
456.19409	1.3
457.20547	3.5
458.21030	3.1
459.17984	0.6
471.22406	5.1
472.22943	4.1
473.19559	3.1
474.20703	0.9
485.19611	1.3
486.20651	4.1
487.21091	2.3
488.22144	0.8
489.22571	1.4
490.19861	2.5
499.21378	6.4
500.23071	2.1
501.22955	0.7
503.24710	2.8
513.19208	0.9
514.19849	1.0
516.21545	0.9
517.22186	2.1
527.21008	2.0
528.21680	0.8
531.23871	7.8
541.22241	0.6
543.23944	0.8
544.21851	0.6
545.21460	1.1
549.25110	1.2
559.23383	100.0
560.23761	3.8
587.22827	16.8
591.26025	0.5
605.24237	0.9
619.25476	95.0
620.25677	3.6
637.26532	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	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	4.5
69.57821	16.3
69.58234	3.9
71.79218	2.3
74.06116	2.2
74.30095	2.5
76.83693	2.3
81.07069	3.4
82.96288	2.2
83.08605	2.6
107.08593	2.6
109.81115	2.1
111.84108	2.5
186.52493	2.6
376.16843	3.1
377.17773	3.3
378.18341	4.1
391.19232	6.0
393.20999	7.9
401.17715	4.6
405.21066	3.2
407.22644	11.9
413.17584	2.7
415.19208	9.4
421.20242	4.0
428.20062	3.9
429.21091	6.4
430.21790	5.7
435.21796	5.0
443.18140	4.6
444.19199	3.9
445.20413	4.1
447.17844	5.1
456.19275	4.0
457.20349	9.9
460.18936	2.8
463.21353	2.9
471.22006	10.8
472.22842	6.3
473.19861	5.8
474.20474	3.0
485.19583	6.4
486.20819	5.3
488.21997	2.6
489.19070	4.5
490.20059	3.8
499.21384	10.4
500.22260	3.8
503.20685	2.9
513.19232	7.7
517.22485	17.1
521.26105	3.9
528.21954	3.0
531.24542	15.1
549.25226	9.9
559.23395	92.3
573.22009	2.6
577.24634	4.0
587.23267	20.6
591.26514	4.8
597.55737	3.6
605.23804	12.4
619.25476	87.5
620.26782	3.9
637.26605	100.0
637.41718	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.9
55.01869	12.4
55.05508	37.3
57.03424	19.0
67.05505	55.0
69.03432	92.2
69.07052	33.8
69.38467	68.8
69.38880	12.3
79.05511	52.8
81.03400	43.4
81.07055	84.2
83.04975	20.1
83.08613	11.2
85.02905	98.7
87.00832	29.8
87.04471	16.9
91.05491	39.8
93.07050	98.0
95.04980	21.4
95.08607	93.4
97.02895	98.3
97.10184	8.6
99.04444	21.5
105.01858	56.6
105.07023	100.0
107.04949	27.3
107.08603	85.7
108.05315	17.0
109.02876	34.8
109.06493	15.6
109.10163	86.0
111.04426	10.0
111.08049	13.2
114.60083	8.2
115.03929	44.5
119.08588	80.2
121.06539	8.6
121.10148	50.1
123.04432	15.3
123.11686	24.3
125.09630	23.2
127.03931	74.5
129.06969	9.4
133.04897	10.3
133.10103	39.2
135.11696	36.5
137.06006	13.7
139.03856	10.8
145.04958	36.4
145.10143	10.4
147.11703	82.1
159.02827	20.1
161.13257	33.4
163.03926	10.9
165.05499	40.4
165.09145	18.5
165.12697	11.6
166.05824	15.1
167.07024	11.2
173.89674	8.9
175.14804	16.0
203.17973	52.3
209.67116	8.0
213.03864	10.0
221.11725	43.1
222.12077	25.7
227.23827	9.0
229.14505	13.5
231.04953	31.5
249.05913	14.3
295.18539	7.9
327.07162	16.4
335.59021	9.5
340.16687	9.0
342.17212	14.9
345.08182	36.5
441.70969	8.5
465.17551	8.6
511.69299	10.5
560.78027	9.3
636.37000	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	635.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09230	1.6
51.33839	1.5
53.03946	3.5
55.01860	3.6
55.05511	22.6
57.03436	4.3
57.07071	4.6
59.05006	1.8
65.03929	3.3
67.05504	100.0
67.10069	1.6
69.03427	28.3
69.07067	18.1
69.66955	4.1
69.67372	7.4
71.04984	3.9
71.08627	2.9
79.05487	22.5
79.38747	1.5
81.02985	2.1
81.03421	21.0
81.07059	49.6
83.04979	7.2
83.08624	13.0
85.02901	4.6
85.06555	1.9
89.06041	2.0
91.05479	27.3
93.07045	25.2
94.53687	1.4
95.04960	14.2
95.08612	30.7
97.02895	6.5
97.06525	2.7
97.10143	7.8
99.04441	2.6
99.08100	1.9
101.02316	1.7
102.45783	1.6
105.07045	15.5
107.04975	5.3
107.08590	13.6
109.02870	4.7
109.06501	2.1
109.10157	46.5
111.04443	7.2
111.08049	3.4
115.05404	2.2
117.07016	5.0
119.08581	14.1
121.06521	5.0
121.10161	8.8
123.04390	2.4
123.08095	2.4
123.11720	5.7
125.09618	4.7
127.03946	3.1
129.06990	5.0
131.08575	11.1
133.06479	3.4
133.10129	7.2
135.08051	3.8
135.11723	4.3
137.09624	3.7
137.13235	3.3
141.06984	1.9
143.08588	4.0
145.06531	4.0
145.10162	4.8
147.08081	2.0
147.11665	5.5
149.09657	2.4
149.13237	4.0
151.11209	2.6
155.08563	2.6
157.10155	3.8
159.08005	3.2
159.11778	3.2
161.13252	5.4
163.11197	2.8
163.14792	2.0
167.08522	2.0
169.10185	2.3
169.73856	1.8
171.11682	2.0
173.11729	16.4
173.13252	4.8
177.12717	2.6
183.11690	2.2
187.14693	2.2
189.11215	3.2
189.12749	1.7
191.14349	2.2
200.68419	2.1
217.15848	1.9
221.18507	1.8
225.12799	1.6
227.12787	1.8
229.14328	13.5
253.57423	1.6
261.22076	2.0
263.23804	3.2
279.23236	1.8
280.69873	1.7
285.22461	1.8
299.14883	4.7
303.23358	6.2
321.24402	1.9
343.26309	2.8
353.24564	3.2
371.25732	12.4
389.26926	4.1
407.61847	1.6
445.29764	2.2
463.30542	2.1
599.39600	3.1
617.39972	6.4
635.41461	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01866	3.0
55.05510	23.4
57.03443	3.1
57.07061	4.9
65.03941	5.1
67.05502	100.0
69.03427	39.5
69.07062	15.7
71.04977	6.3
71.08628	3.8
72.27262	2.8
79.05488	21.9
81.03411	23.7
81.07053	57.5
83.04980	7.4
83.08616	12.7
85.06525	5.0
91.05490	25.4
93.07036	29.9
95.04973	10.5
95.08614	36.4
97.02901	8.1
97.06499	3.7
97.10144	7.8
105.07013	17.0
107.04957	4.4
107.08582	16.4
109.02898	2.6
109.06541	3.8
109.10157	65.7
111.04435	8.0
111.08102	4.0
117.07012	8.4
119.08559	14.4
121.06482	5.2
121.10146	11.2
123.11709	4.9
125.09613	6.2
127.03926	4.4
129.07031	6.2
131.08569	12.2
133.10144	9.7
135.08026	3.3
135.11687	6.0
137.03899	2.4
137.09636	5.8
139.11162	2.6
143.08487	3.7
145.06458	3.9
145.10152	7.3
147.11693	8.9
149.13257	3.6
155.08556	3.4
157.10078	3.9
159.11694	6.0
159.68808	2.5
161.13255	4.5
163.11234	4.0
165.12733	3.0
171.08023	3.1
173.11800	18.9
173.13133	5.6
175.14830	3.6
187.14758	3.6
215.14243	2.8
229.14316	20.0
235.17026	2.7
263.23581	5.4
279.23145	5.5
303.23141	8.4
317.24741	3.0
321.23996	2.8
329.24640	3.8
335.44443	2.8
353.24612	4.3
355.17487	3.6
371.25977	14.9
389.27023	5.3
445.29593	3.9
491.36987	4.8
617.40515	5.0
635.29163	6.5
635.41388	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25565	1.1
52.81903	1.0
55.01872	1.7
55.05484	2.0
57.07072	21.2
57.77665	1.1
67.05499	2.5
69.07058	2.3
70.13428	5.2
71.08628	46.9
72.21938	1.4
73.06545	2.5
79.05453	1.6
81.07036	1.4
85.10184	23.0
87.04462	18.6
89.06028	100.0
91.05474	13.6
93.07047	7.9
95.04960	4.0
95.08597	1.8
97.19065	1.2
103.05470	2.9
105.07024	4.8
107.04915	2.5
107.07057	4.9
107.08601	4.5
109.10130	1.7
117.07016	3.0
117.09133	1.8
119.04977	3.3
119.08598	5.8
121.06490	24.1
121.10156	1.7
123.08034	1.8
127.14838	2.2
130.08617	3.0
131.07040	9.5
131.08565	2.6
133.08601	63.7
135.08035	5.6
135.11697	2.7
145.10081	2.4
147.08025	10.4
149.09618	6.2
150.06779	2.1
163.11191	3.6
163.14886	1.3
165.09128	11.7
169.07942	1.4
173.09529	1.3
175.09653	2.9
175.11084	1.4
177.11237	20.7
189.12576	1.5
191.10640	3.3
193.12285	1.4
209.11740	6.1
211.13235	2.6
221.13849	3.8
235.13211	2.1
247.20558	18.9
255.15950	1.3
273.22186	2.3
283.17508	1.7
291.19888	1.7
291.23187	30.5
335.25662	7.3
491.28632	4.1
617.42303	6.0
635.41406	1.7
649.90411	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.5
53.62196	2.2
55.01869	6.9
55.05517	17.1
56.05040	3.2
58.99586	28.5
67.05503	41.7
69.03429	6.8
69.07079	12.5
70.06609	2.5
70.18402	10.7
71.04987	3.5
71.08633	28.1
74.00673	4.8
74.40154	2.3
76.02230	100.0
76.03996	3.7
79.05499	14.9
80.05019	4.5
80.86889	2.3
81.03415	4.8
81.07072	22.3
82.06581	2.7
83.04969	7.1
83.06087	11.6
83.08620	8.8
84.04498	31.1
85.01134	2.8
85.02918	6.0
86.00662	5.7
86.99045	6.5
88.02222	5.3
91.05477	11.1
93.07035	17.2
94.06564	5.2
95.04975	7.9
95.08609	26.6
96.04487	3.5
96.28188	2.2
97.01112	4.8
97.06556	5.2
97.10181	11.1
99.02677	2.8
99.08085	19.4
100.02222	4.2
105.07022	8.0
107.04943	6.0
107.08599	11.6
109.07671	4.4
109.10152	34.3
110.99023	5.8
111.02673	14.1
111.08079	3.1
112.02212	6.5
113.00517	3.1
114.03773	9.9
116.01675	45.9
117.07012	3.6
119.08591	10.2
120.08103	2.5
121.06522	4.0
121.10159	8.0
124.02208	3.4
125.09635	12.8
126.03735	23.3
127.02143	3.0
129.06602	5.7
130.04984	15.8
131.08527	4.5
133.10149	4.2
135.08061	4.2
136.03926	3.3
137.04214	4.1
137.06020	2.5
137.09639	6.2
138.03748	7.7
139.02110	3.5
139.11238	4.9
140.01614	3.2
140.05290	2.5
141.04779	3.5
141.09067	2.5
142.03235	11.7
144.01122	14.7
145.06065	7.3
145.10139	5.6
147.04485	3.3
147.07970	2.9
149.09631	5.3
151.11182	8.2
152.05298	5.5
153.06549	3.1
153.09123	2.6
155.10689	5.5
157.06834	7.2
159.11761	2.7
161.09628	3.0
162.02196	43.0
163.05887	2.7
165.09109	9.8
170.02681	6.8
173.11726	19.1
175.11186	4.1
177.03383	4.2
179.04848	75.1
181.06369	2.5
182.09946	3.0
185.03841	5.6
187.05394	13.4
188.14325	2.8
189.11209	9.2
190.12228	4.0
194.10072	3.2
199.07094	3.1
203.07045	17.8
203.12721	2.4
206.10074	3.1
209.09840	3.8
212.11043	9.0
215.04901	4.7
222.13068	3.1
222.14986	4.5
224.11050	4.8
231.04337	14.1
233.05882	38.8
245.19112	3.1
250.12642	28.0
252.10521	11.2
265.84711	2.6
268.13657	73.8
270.11508	2.8
273.18372	2.3
277.16113	3.7
278.12036	2.8
285.12531	2.8
291.06406	3.5
291.19580	45.5
293.21170	4.6
296.13135	3.0
308.09106	31.0
309.20648	10.0
315.13724	5.6
323.12759	10.4
323.16763	18.2
325.15564	15.6
327.13736	6.6
343.16373	2.6
348.19943	13.4
353.15247	4.6
355.13120	6.6
366.20950	48.2
367.19635	3.2
371.16464	27.6
373.14316	12.0
376.19348	5.2
384.22064	44.3
394.20477	57.5
451.22772	21.9
469.23752	90.4
487.24792	20.7
527.87006	2.7
532.47888	2.8
559.26947	27.8
598.28864	3.6
616.28662	4.0
634.29907	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	634.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01875	3.3
55.05513	7.9
56.05033	1.3
57.03431	1.2
57.07056	0.7
58.99583	8.9
59.04988	0.7
61.01159	0.7
67.05170	1.1
67.05508	14.2
68.05045	0.8
69.03426	2.5
69.07061	3.2
69.72990	4.4
70.02953	0.8
70.99566	1.0
71.04993	1.5
71.08630	7.0
74.00667	3.2
76.02230	29.9
76.04000	2.3
79.05491	5.1
80.05031	1.8
81.03410	2.4
81.07067	6.5
82.06576	0.7
83.04989	1.7
83.06093	4.0
83.08637	3.9
84.04509	10.7
85.01123	1.3
85.02892	1.0
85.03990	0.8
85.06544	0.9
86.00643	0.6
86.99062	2.7
88.02203	1.8
91.05465	4.2
93.07039	6.1
94.06554	2.5
95.04977	1.9
95.08604	9.1
96.04498	0.9
97.01124	3.1
97.02875	0.6
97.06528	1.6
97.10172	4.8
99.02680	1.4
99.04482	0.6
99.05570	0.9
99.08094	4.6
100.02184	1.5
101.00575	0.8
102.03781	1.2
105.07039	2.6
106.06535	0.9
107.04955	2.7
107.08588	4.4
108.08122	1.1
109.02879	0.9
109.06515	1.7
109.07640	1.5
109.10158	12.7
110.06056	1.0
111.02681	2.0
111.04427	0.9
111.08089	1.3
112.02201	3.6
112.03957	1.0
113.00609	3.4
113.02922	1.3
114.03743	2.2
116.01675	13.7
117.07007	1.7
119.08572	3.2
121.10169	1.1
123.02656	1.8
123.08096	1.4
123.10414	0.7
124.02175	1.9
125.04138	0.7
125.09643	5.4
126.03738	9.4
126.12873	0.6
127.02172	1.3
129.06584	3.3
130.04985	5.6
131.04520	0.9
131.08542	1.8
133.10126	1.1
135.02728	0.9
135.08063	2.0
135.10460	0.7
135.11668	1.1
136.02171	0.8
136.03908	0.8
136.11284	1.0
137.04190	1.2
137.09636	2.6
138.03720	1.8
138.12804	0.9
139.02173	2.6
139.03218	1.4
139.05743	3.2
140.01563	0.8
140.05264	1.2
141.04778	1.3
141.07387	0.7
142.03191	4.0
143.08565	0.9
144.01149	5.5
145.06143	2.1
145.10100	1.0
147.02621	0.9
147.07942	0.6
147.11723	1.0
149.09619	1.9
150.12770	1.8
151.05740	1.1
151.11156	1.5
153.06573	1.7
153.09108	0.7
155.05254	0.9
155.08241	1.2
155.10602	1.3
156.08446	1.8
157.00642	0.9
157.10255	0.7
158.09972	1.7
161.09644	0.9
162.02213	15.2
162.03683	1.1
165.07419	1.5
165.09106	1.2
167.05249	0.8
168.08415	8.3
169.06795	1.9
169.09106	1.5
170.02742	2.0
170.09991	5.8
173.11798	4.3
177.03323	3.6
177.12785	0.9
179.04858	15.3
181.06100	0.8
182.10008	8.6
183.08340	0.9
184.11559	3.7
185.03824	3.5
187.05418	2.5
189.03349	0.8
189.11205	2.2
193.12218	1.4
194.09995	2.1
196.11507	1.0
197.09991	1.0
199.07176	1.1
209.11792	0.8
210.09579	0.8
212.11072	5.7
215.04805	1.4
229.06345	1.0
231.04343	8.9
233.05937	6.6
233.09959	1.0
239.12050	0.9
240.10469	0.9
245.05917	0.9
245.19112	0.8
248.11032	2.3
250.12657	1.8
251.11070	1.0
257.07663	0.8
263.20059	1.0
266.12140	2.8
267.10602	0.8
268.13727	2.2
271.11111	2.0
273.12708	1.8
273.18597	0.9
278.12143	0.7
285.12671	20.2
287.14575	0.6
291.06464	0.6
291.19537	10.7
293.21188	0.8
297.12708	2.1
305.15662	2.1
308.09021	5.1
308.22415	0.9
309.20712	2.7
315.13797	2.4
321.18854	1.2
323.16769	9.9
330.18887	1.3
331.17410	1.3
348.19897	11.0
349.18271	9.4
366.21051	14.1
367.19354	13.6
373.36557	0.6
376.19370	1.1
384.22162	5.4
394.20480	2.2
402.22928	0.9
405.21857	0.6
412.21027	0.7
423.23047	0.8
432.22079	0.8
441.24344	1.7
451.22607	4.2
460.22171	0.8
469.23679	19.3
477.24802	0.6
487.24738	100.0
488.25018	2.0
523.24463	1.5
535.24646	0.8
559.26788	12.2
581.25354	0.7
598.27942	2.1
616.29272	1.3
634.29663	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	634.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14016	1.3
55.05505	2.7
57.03428	1.8
57.41279	1.2
65.43777	1.4
66.91358	1.4
67.01863	2.7
67.05499	2.9
67.40738	1.5
69.03443	7.3
69.07056	3.5
71.59344	2.2
76.02205	2.1
79.05472	5.0
81.03419	3.0
81.07037	4.0
81.69436	1.3
85.02908	5.3
85.33884	1.4
87.04456	2.6
87.69242	1.3
91.05473	5.2
93.07037	3.2
95.04966	4.6
95.08609	2.1
97.02890	4.6
97.10094	1.6
102.55457	1.8
105.07034	3.7
107.04954	57.1
109.10174	2.1
109.64091	1.6
111.04447	1.7
115.03921	4.0
117.06995	1.7
119.04922	2.8
120.05712	3.4
121.06492	13.5
123.04446	2.3
127.03865	1.9
131.04935	10.2
133.04904	1.8
133.06474	5.4
135.04555	1.7
137.05975	1.9
139.03886	1.8
145.06491	4.4
149.05984	7.9
159.08037	1.9
160.08807	1.9
161.05954	4.7
162.03131	1.5
163.03923	3.7
165.05476	26.9
165.09190	1.6
173.05992	3.5
175.03883	2.0
177.04060	2.4
177.05487	26.5
177.06918	1.7
178.06212	5.6
179.04915	2.5
185.05965	2.4
187.07582	2.5
188.08206	3.0
189.05435	2.3
189.09087	2.6
190.06230	9.9
191.07088	2.3
195.08060	5.2
205.06744	2.4
205.08603	20.9
205.95245	1.5
207.18689	1.5
209.09685	3.4
210.10266	1.9
213.09081	2.4
219.10078	2.0
220.10925	5.7
221.09787	2.8
221.11700	12.3
223.07574	9.6
227.10579	2.0
237.09056	5.5
238.09923	9.7
249.09235	2.1
251.07079	3.1
252.07768	4.0
253.08595	8.0
255.10188	6.9
265.08673	1.6
266.09396	15.9
267.10214	7.9
269.07965	14.4
283.09631	5.7
284.10449	13.4
285.11322	3.3
291.13562	1.8
293.11703	9.7
308.13907	6.9
309.14948	9.0
323.16403	6.6
325.14371	5.7
339.15921	3.2
340.16681	100.0
341.17087	2.6
521.94305	1.4
526.54248	1.7
634.36469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.1
55.01845	1.0
57.03396	1.3
61.02897	1.3
67.05447	0.7
69.03430	5.1
70.06564	1.1
71.04957	1.0
73.02874	1.2
79.05456	1.3
81.03407	1.5
85.02906	11.7
87.04453	1.1
91.05482	4.5
93.07040	5.6
94.06541	0.8
95.04951	1.5
97.02887	4.5
98.06004	1.0
98.20625	1.3
99.04373	0.9
108.04419	1.1
109.02872	1.3
109.06499	1.1
110.06014	1.3
111.08063	3.6
117.06990	1.6
120.08054	1.3
121.06498	1.4
122.06017	1.5
123.04399	1.2
124.07550	1.6
127.03846	2.2
132.08075	1.2
134.09641	5.3
135.07976	2.4
136.07556	4.5
137.05943	0.9
138.05397	1.4
138.09158	1.0
139.03813	0.7
139.07504	1.0
140.07042	1.9
144.07999	1.1
147.06757	0.8
148.07536	2.5
150.09171	1.8
152.06978	1.0
152.10675	2.6
154.08597	1.1
160.07498	2.4
162.05495	1.5
162.07835	1.4
162.09142	26.5
163.07484	1.6
163.08640	1.6
164.07097	1.1
166.05035	1.0
166.08627	0.8
168.06500	1.9
172.07574	1.1
174.09120	1.8
177.06613	0.8
177.10236	1.5
178.08629	7.5
180.10191	23.3
186.09125	1.3
188.07129	1.6
190.08615	10.8
192.10231	1.4
198.09166	0.8
201.10228	1.4
202.08617	2.5
203.11720	1.2
204.10123	1.2
205.09711	4.5
206.08105	1.0
208.09686	87.8
209.10020	1.3
211.08784	0.8
213.10234	0.8
217.09750	1.1
219.11227	2.1
220.09657	1.8
225.10120	1.4
227.11745	0.8
228.10208	1.2
229.09712	1.8
229.57603	0.7
230.08110	1.0
231.11234	1.7
239.11736	2.0
241.09705	0.8
243.11279	0.9
244.09752	0.8
247.10806	1.6
253.09712	1.1
254.10664	0.8
255.11292	2.5
256.09854	0.7
257.09259	0.8
265.11829	100.0
266.12265	1.5
267.11349	3.6
268.12100	0.8
269.09296	1.0
271.10767	0.9
273.12527	0.9
287.14017	1.3
289.11829	7.6
291.13327	3.4
295.10828	2.6
303.13379	2.0
305.14981	0.9
313.11813	20.5
314.12491	1.4
315.13422	4.3
316.11844	0.8
317.11343	5.1
319.12888	3.4
324.60278	0.8
329.11353	1.9
333.14328	3.6
370.14853	5.7
434.62741	0.8
436.18665	3.4
454.19757	10.1
455.18597	0.7
472.20734	13.8
616.24982	4.3
634.26105	38.2
635.26392	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	634.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.4
51.02392	0.4
53.03938	1.5
54.65052	0.3
55.01871	0.3
55.05507	2.0
56.05025	0.4
58.06599	7.9
60.65820	0.2
61.02916	0.4
62.45879	0.2
68.08342	0.3
69.03416	1.5
70.24918	1.1
72.08154	5.1
73.02911	0.3
73.04039	0.9
73.06551	2.5
73.36814	0.2
77.03932	0.5
78.04695	0.5
79.05489	2.1
81.03418	2.3
85.02902	3.5
86.02428	0.4
87.00828	1.6
87.04477	0.3
90.76418	0.2
95.04985	1.6
97.02890	2.7
98.06043	0.2
98.21446	0.3
99.04453	0.7
105.01861	1.2
105.04517	0.4
106.06551	100.0
107.06856	1.3
108.12379	0.3
109.02882	3.4
109.08655	0.3
115.08669	1.0
116.07088	31.6
117.01913	0.3
127.03922	3.7
134.05984	2.1
145.04942	1.0
149.07135	0.4
157.13350	0.6
159.02888	1.0
191.11798	2.7
192.07649	2.7
213.03905	0.7
231.05019	1.4
234.12369	21.3
235.12630	0.3
266.65363	0.3
306.18109	30.3
307.18539	1.0
311.81891	0.3
386.17868	0.3
502.26590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.9
55.01859	4.0
55.05513	22.0
57.03426	5.0
59.04984	2.7
65.03930	5.0
67.05506	100.0
69.03088	2.5
69.03431	29.9
69.07066	14.5
70.21336	4.4
70.21733	3.6
71.04980	6.5
78.62482	1.7
79.05492	32.3
81.03422	21.4
81.07056	41.4
83.04981	8.2
83.08628	10.5
85.02903	6.4
85.06554	2.2
91.05481	29.1
93.06476	2.5
93.07044	35.1
95.04980	12.4
95.08600	25.5
95.42073	1.7
97.02907	4.1
97.06522	4.2
97.10162	7.1
99.04463	3.2
103.05455	2.2
105.07043	22.5
106.28320	2.1
107.04971	5.4
107.08595	17.7
109.02866	2.5
109.06517	4.4
109.10159	53.4
111.04436	6.5
113.05968	1.9
115.05489	1.7
117.07006	12.1
119.08586	19.9
121.06486	5.0
121.10146	12.8
123.08073	2.9
123.11729	3.1
125.09634	6.0
127.03885	2.8
129.06998	6.7
131.08554	14.2
133.06487	3.3
133.10135	11.5
135.11655	8.9
137.05940	2.1
137.09599	5.3
141.06966	3.4
142.07808	2.9
143.08566	8.7
144.09097	1.8
145.10127	14.7
147.08049	3.4
147.11665	8.1
149.09593	2.6
149.13231	5.7
155.08522	2.7
157.10159	9.2
159.08090	2.4
159.11653	10.4
161.13231	4.1
169.10173	4.3
171.11729	6.5
173.09541	2.7
173.11723	12.9
173.13269	5.6
175.11176	3.3
179.08374	2.2
181.10054	2.9
183.11679	3.6
185.09685	2.0
185.13271	4.8
189.11200	4.2
192.11978	1.8
195.11644	3.4
199.14882	3.5
209.13370	2.4
227.12778	2.7
229.14285	15.0
233.15364	2.2
245.13789	2.3
266.69962	2.0
273.22269	3.2
277.21732	2.2
289.21631	2.4
299.14838	2.6
301.21588	5.0
315.22977	3.0
319.22934	2.2
327.23312	2.5
351.23047	4.1
353.24463	2.8
355.17313	3.3
369.24307	9.5
387.25421	5.3
405.26450	3.0
443.28229	2.9
461.28854	6.5
597.38159	3.9
615.38800	8.6
619.51178	2.0
633.40027	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	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08689	2.2
53.03934	3.1
54.63554	1.9
55.01862	3.3
55.05513	20.8
57.03429	4.5
57.07076	4.0
59.04993	4.7
64.40063	1.8
65.03927	5.5
67.05503	100.0
69.03426	29.2
69.07064	18.2
69.97458	11.5
71.04979	5.8
79.05487	34.2
81.03420	24.4
81.07059	46.2
83.04974	9.2
83.08625	11.7
84.26730	1.8
85.02885	3.8
85.06545	3.3
87.04459	2.3
91.05479	32.1
93.07039	34.8
95.04971	14.3
95.08603	32.9
97.02892	7.1
97.06532	4.3
97.10169	6.0
98.20679	2.2
98.40859	2.0
99.04417	3.6
99.08093	2.2
105.07033	26.2
107.04974	5.2
107.08592	22.6
109.02858	6.0
109.06526	6.6
109.10155	51.8
111.04428	7.0
111.08075	2.7
113.05946	2.0
117.07040	14.9
119.08578	24.3
121.06501	4.1
121.10122	15.0
123.08084	3.4
123.11674	2.6
125.09631	8.5
127.03957	3.2
128.06223	2.2
129.06999	8.6
131.08571	19.6
133.06503	4.7
133.10117	11.3
135.08069	2.7
135.11682	8.2
137.09634	6.3
141.06990	4.7
143.08586	9.8
145.10121	15.2
147.08020	3.2
147.11647	11.1
149.09636	3.5
149.13266	3.2
151.01431	2.6
155.08546	5.2
155.10716	2.3
157.10106	8.4
159.08096	2.4
159.11693	8.3
161.09662	4.4
161.13336	3.4
163.11168	3.1
167.08722	2.2
169.10149	4.2
171.11714	6.0
173.09637	2.5
173.10309	2.1
173.11729	15.6
173.13139	4.1
175.11182	4.1
177.09323	2.0
183.11765	3.2
185.09583	2.2
185.13254	5.3
187.14883	2.3
193.05763	1.7
197.13257	2.5
199.14755	2.4
201.12811	2.3
213.16394	2.2
229.14189	13.5
259.20691	2.8
273.22153	2.5
277.21649	4.9
301.21573	6.0
315.23328	3.8
327.23331	3.8
340.32404	2.2
351.22968	4.4
355.17410	2.3
369.24380	9.8
387.25354	4.1
443.27832	3.1
461.29083	6.7
559.36005	2.8
577.89398	2.0
597.37872	4.2
615.38959	7.6
633.39789	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
55.05505	5.5
67.01871	14.6
67.05508	10.3
69.03423	2.4
69.07066	6.4
71.07903	1.9
71.08251	4.1
79.05493	8.9
81.07063	12.2
83.04995	3.3
83.08616	5.3
91.05492	8.8
93.07044	11.9
95.04980	3.3
95.08631	10.5
105.07031	17.4
107.04953	33.5
107.08602	7.8
109.06495	2.3
109.10160	6.8
117.07022	4.2
119.04930	2.5
119.08593	5.0
121.06515	5.8
121.10146	8.1
122.03646	2.6
123.07980	1.9
123.11677	2.3
125.09554	1.9
131.08594	3.1
133.06496	28.7
133.10135	4.8
135.04414	5.5
135.08095	2.1
137.05962	4.9
139.07579	3.5
143.08536	2.2
145.06470	4.4
145.10097	2.9
147.04477	2.8
147.08006	2.3
147.11717	3.4
149.09680	2.8
157.06387	2.8
161.02336	4.7
161.05983	34.7
161.09621	1.9
163.07538	2.5
165.05484	62.9
165.06886	4.1
167.07060	4.1
169.10074	2.2
171.08116	2.1
175.07573	1.9
175.14742	1.8
176.04715	3.0
177.05533	2.2
179.07050	2.1
187.07552	3.1
187.14796	2.0
189.09099	6.1
191.07031	58.2
194.64453	1.7
195.11700	1.7
205.08606	3.3
211.11180	2.0
215.10745	2.3
219.10130	12.7
221.11792	5.1
245.11882	1.8
247.13335	4.7
253.09056	2.4
275.20087	4.1
277.21732	4.1
285.11209	100.0
307.66818	1.8
339.15936	8.0
353.20987	2.2
354.44119	1.7
361.27338	3.4
371.22134	3.1
401.23441	2.5
425.27750	1.8
427.24408	2.3
470.73999	2.0
495.30933	4.3
513.32068	6.0
582.17572	1.9
615.36292	5.2
633.36676	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	632.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01874	15.5
55.05269	1.6
55.05515	18.6
56.05013	2.4
57.03432	1.6
57.61903	1.3
57.98804	1.9
58.99584	28.7
59.05003	1.6
61.04021	1.9
62.89092	1.3
64.62749	1.4
65.03938	2.8
67.05504	34.5
68.05033	1.5
69.03427	3.1
69.06724	2.2
69.07066	30.1
70.02953	2.7
70.06578	2.5
71.33184	4.0
73.01139	1.8
74.00656	6.7
76.02228	93.1
76.03999	5.8
79.05492	21.9
80.05016	5.6
81.03394	4.4
81.05753	1.6
81.07064	18.8
82.06564	3.2
83.04990	7.7
83.06096	11.1
83.08620	9.3
84.04506	29.9
85.01104	1.6
85.02916	2.1
86.00644	5.5
86.99046	6.8
88.02217	5.5
91.05489	17.6
93.07042	22.8
94.06574	7.8
95.04427	1.4
95.04946	7.9
95.08607	18.2
96.04439	1.8
97.01089	4.9
97.02883	2.4
97.06535	13.5
97.10173	15.3
99.04468	1.6
99.05534	1.9
100.02196	2.7
102.05563	1.8
104.40487	1.4
105.07017	13.6
106.06573	1.9
107.04933	6.2
107.06087	2.6
107.08597	21.9
108.04515	2.1
108.08148	1.7
109.02872	5.3
109.06519	7.4
109.07635	4.1
109.10161	21.1
110.92547	1.7
110.99008	3.6
111.02652	5.7
111.04431	2.6
111.08056	3.5
112.02193	9.2
112.03962	3.2
113.00558	2.2
113.02962	2.8
114.03730	4.5
116.01682	45.9
117.07022	7.5
118.06573	1.9
119.08578	9.2
120.08124	3.8
121.06483	4.2
121.10139	9.0
123.02612	4.1
123.08042	8.6
124.02180	4.1
125.04224	1.8
125.09631	11.7
126.03732	16.4
127.02163	1.9
129.06639	5.8
130.04997	14.5
130.06438	1.6
131.08560	7.5
132.08069	2.3
133.06474	3.9
133.10121	5.7
134.05989	1.4
134.09566	2.7
135.02621	4.6
135.05521	2.6
135.08044	8.9
136.02199	2.0
136.03940	2.3
137.04158	2.4
137.09569	4.7
138.03735	5.1
139.02150	2.9
139.05728	1.6
139.11143	2.7
140.01630	3.0
140.05292	1.8
141.02438	1.7
141.04768	5.6
142.03239	11.5
142.55972	1.4
143.08565	3.2
144.01160	19.2
145.06036	9.3
145.10110	6.6
147.07976	3.6
147.11693	2.1
148.11211	4.8
149.09619	5.3
150.03729	1.5
151.07545	7.2
152.05234	2.9
153.06567	2.8
153.09093	4.5
154.06827	3.8
155.05305	2.3
155.08266	3.6
157.10094	1.7
159.08034	3.2
161.09601	3.2
162.02206	43.7
162.03519	1.6
163.05911	1.5
163.07501	5.6
165.06107	1.6
165.07286	8.1
166.06802	1.6
167.05333	1.8
169.06302	1.6
170.02664	5.1
171.10152	1.8
173.09529	4.1
173.11763	17.3
175.05785	2.1
175.11162	3.5
175.74060	1.4
177.03302	6.3
177.07352	4.8
179.04861	65.6
180.07700	2.8
181.06079	5.8
182.10011	3.2
185.03815	7.6
187.05367	13.4
189.11195	11.0
191.10535	2.0
192.13832	1.8
193.06717	1.7
193.12163	2.2
194.10019	2.0
199.07150	2.7
203.07111	1.8
203.12732	2.1
204.07385	1.6
205.06828	2.6
206.09871	2.3
207.08459	2.3
210.09508	9.1
215.04790	5.9
222.09442	1.6
222.12962	2.6
222.14926	2.2
231.04298	11.5
233.05910	31.7
234.14903	2.9
236.10921	2.8
238.08842	2.2
243.17357	1.6
245.05849	4.7
250.12566	19.6
251.11018	2.2
252.10555	9.8
257.07776	2.3
261.18420	2.0
268.13657	38.0
271.16913	5.8
278.12088	2.9
289.17984	30.0
291.06415	2.6
291.19455	4.9
293.15829	3.3
295.10974	2.2
307.19028	13.9
308.09119	23.5
313.12198	5.6
321.15228	14.1
325.15787	10.2
327.13812	9.1
328.17294	2.2
329.15799	1.8
336.20209	2.0
338.10910	2.0
346.18417	11.5
347.16727	2.7
353.15192	2.0
355.13190	6.1
364.19424	40.2
365.17648	2.9
371.16342	22.1
373.14209	10.4
374.01938	1.8
374.17856	3.3
382.15793	2.8
382.20465	37.8
392.18921	27.2
398.15030	3.2
400.21652	2.6
427.39560	1.7
449.21136	25.6
467.22116	100.0
468.22495	2.6
485.23175	28.6
503.23639	2.2
521.22986	4.7
539.24359	2.4
557.25177	21.2
614.27289	3.4
632.28723	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	632.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01871	7.3
55.05261	0.9
55.05512	9.3
56.05033	1.2
57.03437	1.4
58.99584	9.9
59.05002	0.7
65.03931	1.5
67.05503	20.1
68.05035	1.2
69.03419	2.2
69.07070	8.4
69.42995	0.5
69.70371	2.8
69.70779	1.1
70.02942	1.6
71.04971	1.0
73.01175	0.6
74.00665	2.3
75.93398	0.6
76.02226	28.3
76.03998	2.1
79.05492	10.1
80.05016	1.9
81.03410	2.0
81.05806	0.7
81.07055	11.7
82.06560	0.8
83.04982	4.7
83.06100	4.4
83.08610	4.7
84.04507	12.1
85.01138	2.2
85.02911	1.5
85.04034	0.7
86.00653	2.1
86.99050	2.5
88.02209	1.7
91.05476	9.6
93.07045	9.5
94.06573	2.4
95.04967	5.9
95.08604	11.9
96.04449	0.8
97.01122	2.6
97.02882	1.7
97.06528	3.2
97.10170	7.3
98.00648	0.8
98.20838	1.2
99.02667	0.7
99.05579	1.2
100.02200	1.5
103.05438	0.9
105.07030	9.4
106.06577	1.3
107.04947	2.9
107.06091	0.8
107.08592	9.8
108.04512	0.8
108.08117	2.0
109.06506	7.5
109.07636	1.0
109.10152	13.2
111.02685	2.3
111.04439	1.7
111.08083	1.7
112.02185	10.2
112.03944	0.8
113.00583	1.5
113.04216	1.0
114.00072	0.7
114.03748	3.9
115.05473	1.1
116.01681	13.9
117.07018	3.0
118.06571	0.9
119.08567	6.2
120.08109	1.7
121.06519	1.6
121.10142	2.5
122.09657	2.8
123.02650	2.0
123.04430	1.2
123.08075	7.4
124.02185	2.1
125.00638	1.2
125.04185	1.5
125.09624	9.4
126.03756	1.8
129.06732	1.9
129.50911	0.6
130.04994	6.1
131.08566	1.8
132.08073	1.4
133.06485	2.4
133.08891	1.3
133.10121	2.3
134.09622	1.8
135.02605	1.5
135.04370	0.6
135.08058	4.9
135.11755	0.7
136.02136	1.4
136.11311	0.8
137.03088	1.3
137.04205	4.5
137.09627	3.4
138.03708	5.7
139.02216	1.1
139.03217	1.3
139.05782	2.1
140.01657	2.2
140.05269	4.4
141.04807	1.3
142.03209	6.2
143.02734	1.0
143.08612	1.4
144.01141	6.2
145.06082	4.8
145.10130	1.7
146.09642	1.5
147.02609	1.0
147.08113	3.3
147.11664	1.2
148.11172	0.8
149.04172	1.3
149.05936	1.0
149.09602	2.1
151.05807	1.3
151.07547	4.4
152.01643	1.3
152.05276	1.8
153.03700	0.7
153.06625	1.9
153.09171	0.9
154.06827	3.7
155.05234	0.8
155.08250	2.1
155.10634	0.7
157.10147	1.0
158.02768	1.0
159.08041	1.2
159.11684	0.7
161.09647	2.2
162.02209	13.4
162.09026	0.8
163.02274	0.6
163.05803	1.4
163.07530	1.4
163.11226	0.7
165.03757	0.9
165.07457	0.8
165.09134	0.9
166.03192	0.9
166.06865	15.5
166.08289	0.8
167.05313	1.3
167.07649	1.5
168.08467	2.5
169.04324	3.9
169.05893	0.8
170.02684	3.2
173.09599	1.1
173.11751	6.4
175.05888	0.9
175.11308	0.9
176.05295	0.7
177.03297	3.5
179.04854	19.0
179.10674	1.2
180.08400	10.8
181.06110	0.7
181.08443	0.8
182.10022	2.1
185.03809	3.9
187.05403	2.6
187.11198	0.6
188.05487	0.7
189.03337	1.0
189.11203	4.5
190.29228	0.6
191.20422	0.6
192.08438	1.3
194.10039	0.7
199.07133	1.3
203.07101	1.8
205.06850	0.8
209.11748	0.7
210.09525	3.0
215.04848	14.9
215.06750	1.2
216.05630	1.0
222.14891	0.9
223.08919	1.3
227.04929	1.3
231.04317	7.5
233.05934	8.5
237.10561	1.0
237.21541	0.7
238.08850	0.8
243.04736	0.6
243.17633	0.6
245.05838	1.4
248.10991	3.2
250.12653	2.4
266.12030	3.2
268.13660	1.7
269.09570	5.2
271.11142	2.8
271.17014	2.7
278.12115	1.8
283.11093	11.2
285.13141	0.7
288.19485	0.9
289.17990	14.5
290.18542	0.7
291.06442	0.8
295.11157	4.0
297.12823	1.2
303.14142	2.0
306.20709	1.1
307.19019	11.2
308.09103	9.2
313.12469	2.6
319.17438	0.7
321.15182	9.0
323.16751	1.2
329.15616	1.3
336.19730	0.9
338.17838	0.8
346.18329	5.7
347.16748	6.2
364.19406	13.1
365.17783	15.7
365.22089	1.2
366.18167	0.8
382.20474	7.5
392.18906	1.8
398.15027	1.4
400.21469	0.7
416.16296	1.4
421.21820	1.0
424.69000	0.6
439.22638	1.8
449.21252	3.7
467.22113	18.7
485.23172	100.0
486.23395	2.0
521.22974	1.0
533.23169	1.0
539.24481	0.8
557.25293	12.1
558.26038	0.9
596.26526	1.8
614.27307	1.5
614.36359	0.8
632.27911	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	632.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03948	1.3
55.01870	0.7
56.05029	0.3
57.03425	0.6
59.04992	0.6
65.03957	0.3
67.01845	0.3
67.05486	0.3
68.90517	0.2
69.03428	2.8
69.07045	0.2
70.03870	1.2
73.02926	0.3
73.48624	0.2
77.03978	1.0
79.05494	1.7
81.03414	0.6
81.07068	0.4
84.04504	0.4
85.02911	2.4
87.04462	1.3
91.05477	4.3
93.07030	0.3
94.04163	0.6
95.04969	4.0
96.04500	1.7
97.02911	1.8
98.20824	0.3
103.05463	0.9
105.04505	0.6
105.07034	13.0
106.07818	0.9
107.04947	1.9
109.02875	0.3
111.03179	0.4
111.04424	0.3
112.03966	100.0
113.04285	0.3
115.03966	1.9
115.05457	2.3
116.06288	0.5
117.07021	0.7
119.04942	17.8
121.06512	0.6
127.03921	0.3
128.06221	1.9
129.07005	17.5
131.04883	0.2
133.04979	1.7
133.06491	8.8
134.07272	29.4
141.06992	5.7
143.08572	0.7
145.06494	0.3
146.75055	0.2
147.04475	0.2
147.05775	0.2
152.07076	13.9
153.07077	0.6
157.06505	3.7
158.07332	0.3
159.08081	0.7
165.07024	0.5
166.07777	1.4
168.05702	0.3
169.06473	0.7
170.07251	1.5
171.08061	1.2
171.11691	0.4
171.32687	0.2
181.06496	1.9
181.10059	1.2
184.05260	0.3
184.08774	0.4
185.05978	40.4
186.06731	1.7
187.07516	0.7
191.08549	0.5
192.78911	0.2
194.07266	1.6
197.05984	0.9
198.06729	1.3
199.07542	5.6
199.11211	1.3
209.09595	2.4
210.06865	0.2
212.08296	1.6
225.09041	0.4
226.06255	0.3
227.10666	42.7
228.10934	0.5
312.04889	0.2
338.13861	57.7
339.14160	0.7
492.08789	0.2
500.19339	0.6
622.11072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19081	0.2
53.03933	0.7
54.92496	0.2
55.01836	0.3
57.03430	0.4
61.02928	0.3
67.98537	0.2
69.03419	1.3
69.69772	1.4
75.00079	0.2
77.03970	0.3
78.10158	0.2
79.05485	0.3
81.03413	0.3
84.04482	0.4
85.02923	1.2
87.04509	0.4
91.03955	0.2
91.05471	1.3
93.07021	0.2
95.04958	1.4
95.93890	0.2
96.04488	0.6
97.02872	1.1
98.21526	0.3
105.04493	0.3
105.07042	2.2
107.04947	0.5
112.03965	100.0
113.04315	0.3
115.03947	0.8
115.05455	0.6
119.04940	7.3
127.03905	0.3
128.06226	0.6
129.07014	7.6
133.04929	0.5
133.06491	3.0
133.08594	0.3
134.07269	9.5
141.06987	1.1
143.08542	0.3
152.07074	0.8
153.06999	0.4
157.06494	1.6
166.07791	0.2
170.07220	0.6
171.08083	0.5
181.06491	0.6
185.05981	18.6
186.06667	0.6
194.07312	0.4
197.05998	0.3
199.07570	1.9
200.70514	0.2
209.09656	0.5
216.47476	0.2
227.10666	20.3
228.11086	0.2
274.09155	0.4
329.92953	0.2
338.13843	16.4
339.14371	0.3
411.53290	0.2
500.18961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02386	0.5
53.03941	0.1
54.49137	0.1
55.01863	0.3
55.05481	0.1
57.03436	1.7
59.04988	0.5
61.02914	0.3
67.05495	0.2
69.03429	6.1
69.75117	0.7
73.02921	0.3
75.04465	0.2
78.03453	1.9
81.03424	0.4
83.04976	0.4
85.02902	5.0
87.04465	3.3
87.04886	0.1
91.03947	0.2
95.04942	0.2
96.04488	100.0
97.02886	4.0
97.04271	0.1
97.04801	0.6
99.04478	0.3
103.03944	0.2
107.04990	0.3
109.02892	0.6
111.04447	0.4
115.03925	2.7
115.05383	0.1
117.07024	0.4
121.04005	0.1
123.04526	0.1
127.03888	0.6
128.06230	0.1
129.05469	0.2
131.04881	0.1
133.04964	2.8
135.07986	0.1
136.07558	1.4
145.04962	0.4
145.06488	0.3
149.04414	0.2
149.05893	0.2
155.53758	0.1
157.06534	0.2
173.05974	1.1
187.33409	0.1
201.05467	1.1
219.85466	0.1
226.22658	0.1
226.81551	0.1
243.10205	0.4
338.13855	2.0
416.39816	0.1
425.51913	0.1
500.19186	1.7
632.23303	2.7
633.23779	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	632.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03944	0.4
55.01862	0.9
55.05506	0.5
57.03435	4.9
59.04989	0.8
61.02923	0.8
63.63071	0.2
69.03425	15.7
71.01324	0.4
71.05004	0.4
72.67982	0.2
73.02918	0.7
75.04481	0.7
78.03448	1.4
81.03407	2.5
83.04983	1.3
85.02899	12.6
87.04461	8.1
91.03938	0.5
91.05482	0.5
91.22023	0.2
95.04951	0.3
96.04486	100.0
97.02885	11.4
97.04807	0.2
99.04453	0.7
101.02354	0.6
103.00005	0.2
103.03941	0.4
105.07026	0.4
107.04952	1.3
109.02879	3.8
111.04427	0.6
115.03916	8.2
117.07014	0.6
119.04922	2.5
123.04424	0.3
127.03899	1.6
129.05464	0.5
133.04956	7.9
133.06532	0.5
134.07278	2.4
135.08032	1.6
136.07565	1.5
145.04944	1.3
145.06487	1.1
149.04465	0.5
149.06004	0.3
157.06522	0.3
169.05016	0.3
169.06360	0.2
173.05963	1.0
201.05460	5.3
241.06979	0.3
243.10139	5.4
243.12572	0.4
310.83136	0.2
338.13837	31.0
339.14224	0.5
388.38138	0.2
500.19049	2.3
646.27112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
69.03414	0.4
70.91321	0.5
79.05495	0.3
81.03412	0.2
84.04506	0.3
85.02922	0.3
87.04445	0.2
91.05471	0.6
94.02910	0.3
95.04969	0.7
97.02898	0.2
101.02351	0.2
105.07051	1.0
112.03956	100.0
113.04335	0.3
115.05434	0.3
117.31191	0.2
119.04932	3.3
124.07598	0.2
128.06216	0.3
129.06993	3.8
133.04980	0.2
133.06494	1.2
134.07259	4.1
141.07008	0.6
152.07053	2.9
157.06490	0.8
165.06902	0.2
170.07286	0.3
171.08080	0.2
181.06479	0.3
185.05966	8.3
191.08615	0.2
194.07193	0.2
195.76125	0.2
199.07498	0.9
199.11115	0.2
209.09534	0.3
227.10664	4.5
229.58784	0.2
274.09146	0.2
324.85941	0.2
338.13840	28.7
339.14301	0.3
534.61688	0.2
610.80396	0.2
632.22968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.3
51.02390	0.5
53.03952	0.6
54.05374	0.2
55.01871	1.2
55.05505	0.5
57.03435	9.0
57.64882	0.3
59.05006	1.4
61.02928	2.4
65.03928	0.4
67.05482	0.3
69.03428	28.7
70.75033	0.7
71.01355	0.3
71.04976	0.6
73.02915	1.5
75.04488	1.3
78.03448	1.5
79.05494	0.4
81.03417	6.0
81.03841	0.2
83.01340	0.4
83.04990	1.7
85.02901	21.8
87.04466	14.0
91.03931	1.1
91.05475	1.8
93.07047	0.4
95.04964	0.9
96.04488	100.0
97.02888	18.7
99.04459	1.3
101.02378	1.0
103.03938	0.6
103.05499	0.6
105.07018	1.1
107.04951	4.6
109.02879	14.4
111.04443	0.9
113.57690	0.3
115.03928	14.8
115.05528	0.6
117.05551	0.4
117.07013	2.4
119.04935	5.2
121.02884	0.4
121.06485	0.5
123.04388	0.5
127.03951	2.2
128.06230	0.7
129.05481	0.4
129.07024	0.7
131.04910	0.5
133.04965	12.8
133.06517	1.1
134.07268	6.5
134.08295	0.4
135.04448	0.4
135.08057	7.7
136.07574	22.9
139.03954	0.5
145.04977	1.9
145.06487	2.5
149.04472	0.9
149.06009	0.3
151.06075	0.3
157.06531	0.4
167.03342	0.5
170.38243	0.3
173.05977	2.4
184.96274	0.2
191.13106	0.3
201.05455	11.4
229.07106	0.3
241.07225	0.3
243.10172	11.9
321.29279	0.3
338.13852	70.9
339.14343	1.7
440.30344	0.3
500.19098	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2726
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
51.58323	1.0
51.59789	0.8
53.71671	0.8
55.00969	0.9
71.59444	1.7
72.29433	0.8
111.98593	1.0
115.54430	0.9
161.11940	0.9
173.83850	0.8
179.76912	0.9
211.95781	0.9
265.30850	1.0
286.87335	0.9
373.95175	1.0
467.84174	0.9
629.27325	100.0
630.27747	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05507	10.3
56.05033	21.7
57.03423	1.2
57.04546	0.5
57.07071	0.6
58.06593	0.7
65.03931	0.4
67.05492	0.9
68.37302	0.4
69.00884	0.9
69.03408	2.0
69.86890	2.2
69.99312	5.1
70.06582	0.6
71.04971	0.9
72.08149	1.0
73.06567	0.9
79.05475	0.4
81.03416	2.0
82.06549	1.3
84.04527	1.9
84.08139	14.2
85.02892	1.6
86.09688	3.5
87.00804	0.4
87.01945	10.7
91.05473	0.4
94.04131	0.9
95.04981	0.6
97.02887	1.2
98.06044	9.1
98.20750	0.7
99.04457	2.3
105.01851	0.5
109.02885	1.4
115.08682	1.4
117.05524	0.4
120.04449	1.6
121.05242	3.9
122.06021	41.8
123.04460	0.4
123.06366	0.5
127.03908	1.9
127.07707	0.9
127.08666	24.1
141.06577	100.0
142.06963	0.7
145.05008	0.5
147.05533	0.7
157.13361	2.8
159.02878	0.7
164.06992	0.8
164.10721	1.0
168.80766	0.4
169.13359	29.3
191.03419	0.7
243.44368	0.4
262.11804	0.7
269.09332	1.0
283.10635	0.5
304.16565	1.1
326.12256	0.5
329.11371	1.5
370.11307	14.5
370.16055	0.7
384.15955	1.7
412.16180	1.1
412.85062	0.4
424.17474	0.4
466.17950	2.9
508.22894	23.2
509.23129	0.4
510.16949	2.0
552.21814	14.2
553.22150	0.5
567.88470	0.4
588.22144	2.7
632.21094	18.5
633.21375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2242
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05492	0.6
69.61787	0.5
69.84609	1.0
69.85031	2.3
81.99976	0.5
93.07059	0.6
149.35484	0.5
188.46581	0.5
271.64310	0.5
309.30850	0.6
396.12213	2.2
397.12888	2.3
398.13828	1.1
399.14609	1.0
400.15292	1.2
410.13782	4.4
411.14453	9.1
412.15311	6.2
413.16040	5.7
423.14725	1.8
424.10904	1.2
424.16388	2.7
425.16312	18.6
426.16895	11.9
427.17773	4.3
428.18607	3.8
429.19995	0.7
430.17032	0.8
438.12283	4.5
439.13501	19.6
440.13956	2.9
440.19449	7.1
441.19302	40.9
442.19672	3.1
451.14117	1.1
452.14459	4.6
453.15408	25.4
454.15894	8.0
455.16162	0.7
456.18082	0.8
456.32755	0.6
457.15198	2.0
458.03369	0.6
459.20496	1.2
463.13995	0.7
467.17252	28.9
468.17908	21.0
469.18744	12.1
470.19806	0.7
471.16867	2.5
472.17172	0.9
480.17371	0.8
481.14740	11.7
482.15656	1.8
482.21170	0.9
483.16446	0.7
484.21249	4.0
485.17523	2.6
486.18826	1.0
494.17130	0.7
495.16632	2.1
496.17181	11.0
497.18045	2.1
498.19009	2.3
499.20410	1.3
500.20901	4.7
509.19540	0.8
512.21570	2.6
513.21857	4.2
514.22784	1.0
523.19690	1.1
526.18506	0.7
527.19305	1.0
528.19989	0.9
540.19946	0.7
541.20886	47.1
542.21130	4.2
553.20831	1.0
569.20300	100.0
570.20538	8.7
572.18701	0.9
573.23401	3.4
587.21759	0.8
597.19745	25.8
598.19818	2.1
600.22174	1.8
601.23047	12.9
602.22754	1.0
615.20959	1.3
629.22266	52.3
630.22485	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	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01869	13.4
55.05309	3.8
55.05511	46.6
57.03437	11.4
57.07072	10.2
65.03938	7.0
67.05506	94.2
69.03408	4.4
69.07068	32.1
71.04985	6.6
71.08619	9.1
79.05493	65.6
81.03429	6.6
81.07056	100.0
83.08624	25.6
91.05482	53.9
93.07047	77.3
95.04965	13.7
95.08614	58.9
97.06501	11.4
97.10156	18.2
98.21629	9.6
99.08086	8.8
103.43225	5.0
105.07020	58.6
107.04911	7.3
107.08587	38.9
109.06481	5.2
109.10185	29.3
111.08086	6.5
115.05424	5.9
117.07037	28.7
117.07732	4.3
117.57761	4.2
119.08560	45.3
121.10133	20.6
123.11697	13.2
125.09592	10.9
129.06996	17.1
131.08559	34.4
133.06508	5.3
133.10135	30.5
135.11682	16.4
141.06995	4.6
142.75734	4.3
143.08556	29.0
145.10141	40.3
147.08018	6.9
147.11668	22.1
149.09602	9.4
149.13274	7.8
151.07515	4.8
154.52643	5.0
155.08548	12.3
157.10129	19.5
159.11679	22.7
161.13263	13.1
163.14859	5.1
169.10158	14.9
171.11674	15.6
173.13234	12.5
175.14777	6.5
181.10124	5.2
183.11775	7.5
185.13261	13.6
187.14850	11.1
189.16518	5.2
197.13280	8.3
199.14731	7.4
213.16298	5.4
215.17834	5.0
227.12808	5.6
238.13734	5.8
248.03761	4.7
275.20135	22.9
291.19650	5.2
333.24487	6.5
335.25882	18.8
349.23630	11.6
367.29782	9.1
410.03427	5.1
437.87787	4.8
513.35345	11.1
515.37018	9.8
517.39801	7.4
535.40948	11.6
553.43011	8.3
609.45184	52.9
627.46167	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08345	3.4
57.43251	3.5
60.04536	4.3
61.02914	6.4
67.05505	21.4
69.03433	6.4
69.07080	4.6
71.04983	3.3
71.59737	5.5
72.88313	3.1
79.05492	12.7
79.26848	3.5
81.03415	7.1
81.07063	23.4
83.08656	5.3
84.04507	14.7
85.02908	11.6
86.09718	15.2
91.03947	3.6
91.05489	8.6
91.32182	3.5
93.07050	17.7
95.05035	4.4
95.08608	8.2
97.02868	7.5
97.06538	3.6
99.04458	3.5
105.07029	7.6
107.08580	8.8
109.02866	5.2
115.57494	3.4
119.08556	5.0
120.08109	19.8
121.10160	6.6
123.04410	5.0
123.90052	3.2
131.08580	3.4
133.10120	4.1
137.05951	7.0
145.10185	3.6
147.04443	4.6
149.13277	11.8
159.11806	4.7
167.07043	10.6
181.04987	5.9
195.66559	3.1
207.06548	8.1
269.17496	100.0
348.18848	4.9
553.55371	3.9
628.20087	4.2
628.29889	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	628.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24180	3.8
55.05515	7.3
56.16342	3.6
57.07076	100.0
59.04990	11.6
67.05508	6.5
69.07065	9.5
71.08634	85.8
73.06556	26.9
79.05495	6.0
81.07069	7.5
83.08620	4.4
85.10183	41.3
87.04472	16.8
87.08131	4.9
88.34064	4.0
89.06031	86.6
94.62659	3.4
95.08618	4.4
96.19960	3.8
97.10181	10.8
99.11732	11.1
107.07067	9.3
111.11715	8.0
113.13286	10.4
115.69283	3.6
117.09129	31.0
125.13221	3.8
129.09117	6.1
130.08611	4.9
131.10687	9.2
133.08627	32.2
135.10197	4.0
161.11716	7.3
169.19507	9.7
177.11218	14.0
213.22086	8.8
225.32103	4.2
239.14998	3.9
240.23610	4.3
257.24695	19.3
301.27332	12.0
320.23053	3.9
357.83044	3.8
400.58466	4.0
610.45209	5.5
628.42767	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	627.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14026	3.3
51.57756	3.5
53.03941	9.0
55.01870	26.1
55.05509	35.3
57.03426	11.9
57.07071	6.3
65.03920	5.4
67.05506	100.0
69.03435	4.2
69.07067	44.6
69.53802	23.7
79.05055	6.0
79.05493	75.6
81.03407	3.7
81.07056	86.5
83.04958	7.5
83.08625	18.7
85.06533	6.8
87.96479	3.6
91.05482	69.7
93.07042	67.6
95.04951	13.8
95.08607	61.6
97.06516	25.5
97.10165	12.6
99.08050	4.3
105.07031	49.2
107.04951	16.1
107.08596	65.3
109.06515	9.2
109.10162	36.0
111.08036	8.2
117.07001	26.6
119.08580	42.1
121.06479	6.6
121.10149	29.3
123.08030	7.8
123.11687	13.5
125.09602	16.8
129.07002	14.0
131.08572	33.3
133.10127	38.3
135.08080	5.4
135.11644	18.3
137.09634	4.2
143.08510	12.7
145.10110	38.3
147.11671	18.1
149.09647	26.1
149.13245	9.3
151.11148	6.5
155.08522	5.9
157.10129	12.5
159.11711	20.2
161.13239	10.0
163.11151	11.9
163.14803	4.4
169.10078	4.4
171.11723	12.4
173.13278	14.3
175.14845	4.7
177.12787	4.9
183.11623	8.7
185.13232	11.9
187.13203	4.5
187.14795	7.9
189.11235	10.9
192.98836	3.6
195.11728	6.9
197.13316	8.7
199.14870	6.6
201.16406	4.9
209.13072	6.7
211.14841	5.6
213.16396	6.1
215.17966	3.9
215.94362	3.8
221.04050	3.6
227.12798	9.4
229.19504	3.9
239.17931	7.9
243.15886	5.5
247.20532	4.6
257.19009	8.4
261.22089	7.1
275.20087	64.5
293.21051	12.5
335.25797	52.0
337.27505	4.7
349.23813	26.1
367.29871	6.5
486.19186	3.6
515.37366	6.3
517.39764	5.0
535.40948	9.0
551.31964	5.3
609.45099	63.5
627.42358	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	627.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43045	0.6
56.96299	0.9
56.96564	16.2
63.34959	0.6
67.05486	2.8
71.59488	1.0
71.95253	1.9
74.97589	1.9
78.97844	0.6
79.05472	1.0
81.07077	0.9
84.96011	1.3
91.05471	1.1
93.07043	0.8
95.08636	0.9
97.06687	0.6
105.07011	0.8
109.22426	0.6
110.97601	1.2
115.72952	0.6
115.97856	0.8
123.01203	0.7
128.98624	4.6
133.98907	1.0
141.02325	0.8
146.99646	11.1
155.03789	0.9
161.01202	1.2
161.04826	1.1
165.00801	3.7
170.01289	0.7
179.02167	0.9
189.04318	1.6
203.05856	1.1
230.15346	1.2
237.10074	0.8
245.10550	1.3
259.12192	1.7
263.09531	1.8
277.10977	1.6
281.10635	0.9
283.12018	1.2
292.19009	2.5
293.19382	2.0
303.12589	2.0
306.42511	0.7
315.16272	33.3
321.13745	0.8
331.15738	2.3
333.17343	100.0
334.17722	1.7
348.21548	0.9
349.16681	0.7
351.18356	25.6
356.18961	12.1
374.20056	4.8
410.94064	0.8
627.44501	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	627.1553
Annotation	Quercetin 3-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01872	2.1
57.03437	1.5
59.74175	1.0
69.03412	5.2
69.77180	1.0
71.17442	1.2
71.17766	1.7
75.72491	1.0
78.29160	1.0
81.03413	3.6
85.02895	14.8
91.03947	1.3
91.05512	1.4
97.02888	5.8
109.02864	3.2
112.04002	1.1
119.04927	1.1
123.04438	2.6
127.03919	5.2
137.02336	21.2
137.03412	1.5
139.03847	1.6
145.04938	1.3
151.03951	1.5
153.01854	5.2
165.01874	2.3
181.01323	2.5
183.02890	3.7
186.01682	1.1
191.03346	1.5
195.02931	3.2
199.02397	4.2
199.73503	1.1
203.03474	2.4
207.02937	1.5
211.02374	4.3
213.05435	1.0
221.04449	1.9
229.05054	1.3
235.06172	1.1
243.06480	1.0
253.04962	1.7
257.04498	2.5
261.04178	1.2
267.06729	1.1
267.98618	1.1
269.04330	2.6
271.06049	3.7
275.05438	1.3
277.03360	1.2
281.04382	2.4
283.05917	1.2
287.05521	2.0
297.03851	1.3
299.05490	10.4
301.07108	1.8
302.04181	16.8
302.07480	1.4
303.04971	35.0
309.04144	2.0
311.05560	2.1
315.04953	42.1
316.05746	9.4
327.04929	15.2
328.05356	1.4
329.06369	7.4
341.06503	4.1
345.06033	100.0
346.06018	2.1
351.04794	1.2
353.06625	1.8
355.07962	4.3
357.06082	1.5
369.06064	22.1
381.06030	2.6
383.07565	2.1
393.06235	1.6
399.06909	6.4
411.06958	8.2
421.11569	1.6
429.08087	11.7
447.09241	28.3
449.10748	1.4
465.10291	51.0
466.10223	1.4
507.11240	4.4
627.15082	8.1
627.23761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.8
53.41782	3.5
55.01872	6.2
55.05502	12.3
56.38949	4.0
57.03440	9.5
57.07064	6.3
58.30542	2.8
58.99583	4.6
61.02927	6.8
67.05501	16.9
67.92053	3.4
69.03428	44.0
69.07070	23.4
69.26607	42.6
71.05005	7.5
76.02212	4.5
79.05499	8.5
81.03417	24.2
81.07056	26.1
83.04961	3.9
83.08601	6.4
84.04514	5.5
85.01125	4.5
85.02427	5.0
85.02906	60.4
85.06551	9.1
86.00667	6.9
86.99049	10.8
87.00821	24.1
87.04475	7.5
91.05465	12.5
93.07042	18.6
95.04975	5.4
95.08603	40.6
97.02893	56.0
97.06508	5.4
98.21570	4.8
99.04450	9.2
102.03778	4.1
105.01862	50.0
105.07031	27.3
107.04954	9.8
107.08594	36.4
109.02893	15.7
109.06532	15.0
109.10162	64.8
111.08093	7.6
112.02180	5.5
115.03933	22.7
117.07037	4.8
119.04965	5.7
119.08588	49.0
121.06534	3.8
121.10144	93.2
122.02734	3.9
123.04422	11.4
123.08069	13.2
123.11720	27.4
127.03918	42.5
129.79169	3.4
131.08568	7.0
133.05003	6.6
133.10147	48.2
135.11693	39.7
137.05969	7.5
137.09636	20.6
137.13243	7.4
139.03880	8.1
139.11218	5.1
142.03215	4.0
145.04991	18.0
145.06119	3.8
145.10106	4.7
147.04361	8.4
147.11674	15.1
149.06010	17.0
149.13255	50.6
150.07687	7.9
151.14867	8.7
159.02937	4.5
165.16400	12.7
173.13243	3.2
175.14824	100.0
177.05560	8.4
187.07527	4.7
189.03418	15.6
189.09016	5.2
191.10690	4.9
193.15889	90.3
201.03954	3.7
207.43216	3.7
208.07639	4.0
211.16905	9.6
213.03999	5.1
215.04973	4.0
219.07574	3.4
219.10229	11.5
231.04988	19.9
239.07060	6.4
241.07109	5.3
249.06035	12.9
249.11246	32.9
269.07977	4.7
297.14490	4.4
307.13266	5.6
310.11276	4.0
325.14386	8.2
327.07043	14.0
345.08237	32.8
363.09131	8.9
434.75818	4.7
446.29666	4.3
497.16028	4.3
613.74652	3.3
625.32135	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	626.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01880	2.6
55.05505	10.3
57.03437	6.8
57.07080	3.4
61.02929	3.2
67.05491	16.0
69.03430	46.8
69.07069	21.2
69.55125	20.3
71.04993	7.5
73.02916	3.8
79.05489	8.5
81.03418	16.8
81.07050	22.8
83.04984	8.5
83.08618	6.3
84.04525	2.8
85.02901	54.2
85.06537	3.8
86.00623	3.3
86.99030	5.0
87.00832	20.7
87.04454	6.9
91.05473	11.9
93.07033	18.4
95.04940	2.8
95.08614	40.2
97.02893	43.6
99.04446	9.0
105.01866	46.0
105.07025	24.7
107.05037	2.6
107.08606	39.4
109.02872	16.8
109.06546	14.0
109.10152	65.5
111.04434	4.5
111.08089	8.2
115.03915	21.0
119.08585	46.1
121.10140	96.6
122.10494	2.6
122.29984	2.2
123.04427	4.8
123.08070	16.1
123.11707	24.7
125.09629	3.8
127.03908	43.2
131.04958	2.8
131.08562	2.5
133.04955	6.7
133.10112	44.0
135.04480	2.8
135.11696	32.9
137.06038	3.5
137.09589	18.7
137.13261	11.4
139.03862	2.7
139.11223	5.9
145.04951	20.6
147.04454	3.6
147.11667	8.5
149.06013	7.7
149.13254	45.2
150.07643	4.9
151.11151	3.1
151.14804	4.6
159.02870	7.0
165.16364	9.0
175.14822	100.0
177.05495	2.9
184.07234	4.9
189.03311	7.0
189.09077	6.2
193.15874	81.9
199.42531	2.4
211.16942	6.7
213.04063	3.0
215.04921	3.1
219.10153	4.3
231.05058	18.6
241.07054	7.6
249.06093	19.9
249.11281	15.6
276.10101	2.4
327.07028	12.3
345.08218	23.9
363.09082	3.7
382.64044	2.4
417.57278	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	626.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01861	7.4
55.05505	13.1
56.05029	9.0
57.03428	3.3
57.98788	1.9
58.99587	16.9
67.05498	11.3
68.05016	6.9
69.03424	4.9
69.07056	4.6
70.02943	6.4
70.06596	1.7
70.07774	6.4
71.04997	1.7
72.04507	6.0
73.01140	1.5
74.00657	8.0
74.02433	2.0
76.02228	24.5
76.04000	6.3
79.05490	9.6
80.05031	8.9
81.03397	8.3
81.05814	3.5
81.07047	7.1
82.06590	2.8
83.04988	3.6
83.06095	9.2
83.08615	5.0
84.04504	56.4
85.01129	43.1
85.02886	6.5
85.04015	4.2
86.00652	40.5
86.99053	58.1
87.02647	1.9
87.04458	1.6
88.02208	5.3
91.05486	15.5
93.07036	7.1
95.04967	4.1
95.08613	3.2
96.04485	5.4
97.01122	10.7
97.02884	5.2
97.10179	10.7
98.00628	6.2
98.06099	2.0
99.01423	3.4
99.05577	1.9
100.02206	7.7
102.03764	29.7
102.05530	18.8
105.07042	8.8
107.04936	5.8
107.08585	8.8
109.02885	1.7
109.06501	1.9
109.07633	5.9
109.10149	6.8
110.06056	2.1
111.08086	1.7
112.02187	35.8
112.03948	5.3
113.00584	8.1
114.00161	3.3
114.03738	15.9
114.05557	3.3
115.03981	1.8
115.05457	2.3
116.01688	31.9
117.06995	2.0
119.04932	12.5
119.08579	6.4
121.10112	5.4
122.06044	1.7
123.08059	2.6
123.11729	2.1
124.02160	6.4
125.00602	2.4
125.09622	6.2
126.03709	2.6
128.07065	1.8
129.06596	8.9
130.03241	16.2
130.04996	24.4
131.04970	1.9
132.01166	3.2
132.04733	2.1
133.06485	5.2
133.10126	5.0
135.11699	5.7
137.06032	2.9
140.01677	5.7
141.04744	1.7
142.02106	2.6
142.03224	46.3
143.02745	39.8
144.01135	6.7
145.06023	7.9
145.10104	2.3
147.04407	5.7
147.07961	2.0
147.11711	1.8
151.07542	7.5
151.88229	1.5
152.01672	3.3
153.06606	5.6
155.08182	9.7
156.06549	6.4
158.02701	6.7
161.05995	15.4
162.02206	10.2
163.07576	5.4
163.11177	2.3
168.04773	4.8
168.06812	1.6
169.04335	7.1
170.02719	6.9
171.02266	6.9
172.04291	1.8
173.09444	2.6
175.14818	9.4
177.03290	13.9
177.16476	1.5
179.04855	12.9
179.07057	14.3
181.06128	3.2
184.06026	2.4
185.03883	4.8
187.05479	2.0
188.03790	5.6
189.03288	100.0
193.12195	3.8
193.15851	4.8
195.04665	1.6
196.04271	11.7
198.90184	1.7
199.05357	5.0
199.07141	3.4
201.09012	2.7
204.08719	2.0
205.06401	22.6
208.04265	1.9
211.07103	1.8
215.04848	42.6
217.06424	4.7
223.07933	1.5
224.03802	3.3
227.04855	3.2
227.12546	2.0
229.14369	3.7
231.04346	5.9
232.05269	2.9
233.05893	20.8
241.06483	4.3
243.04446	2.2
245.05943	8.7
249.11369	2.6
259.07501	5.3
266.12036	5.1
267.15811	3.5
269.06049	1.8
284.09567	4.3
284.13144	2.3
287.06943	15.1
299.07101	1.9
307.08286	3.4
308.09067	3.1
310.94861	1.6
311.15692	1.5
311.90927	1.5
315.13461	11.2
316.13800	10.2
317.08160	2.2
323.14142	2.3
324.12463	1.4
325.14301	2.0
334.10654	4.5
341.15292	2.7
345.07666	3.4
360.59427	1.6
362.10101	9.3
393.75494	1.7
445.20282	3.6
461.19504	5.7
479.20612	8.8
497.21530	3.3
533.60065	1.9
533.84656	2.1
551.22406	6.0
608.25037	6.3
626.26038	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	626.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03939	0.6
55.01862	0.6
55.05502	0.7
57.03439	2.7
59.05004	0.6
60.03895	0.3
61.02928	0.9
67.05538	0.4
68.99752	0.5
69.03427	12.3
71.04989	0.6
71.59933	0.6
73.02910	0.6
76.57352	0.4
78.03431	2.1
79.05473	0.7
81.03412	3.1
81.07037	0.7
83.04983	1.6
85.02428	0.7
85.02907	9.3
87.00829	1.7
87.04470	5.0
95.04944	0.6
95.08582	0.5
96.04490	100.0
97.02886	8.0
99.04460	1.2
103.03937	0.7
105.01865	1.7
109.02874	3.8
111.04452	2.0
115.03922	4.9
123.04436	0.9
127.03918	5.0
129.01791	0.4
129.05460	1.7
133.04932	2.3
136.07616	1.3
137.06003	0.7
141.01483	1.4
142.01833	0.6
145.04951	1.8
147.02890	0.4
147.04480	0.5
151.03926	0.5
151.07530	1.9
159.02982	0.9
161.06033	0.5
165.05476	0.5
167.07060	0.5
173.09561	0.4
177.05540	0.5
181.04973	0.4
187.06041	0.6
213.04179	0.5
215.05583	0.4
231.04993	1.4
246.11269	6.0
273.06107	0.6
402.10150	0.5
456.96051	0.4
494.16656	4.0
626.20740	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44252	6.4
53.03938	10.4
55.01870	37.3
55.05509	32.3
57.03423	11.9
67.05504	80.3
69.07065	96.0
71.60226	9.3
77.35543	5.4
79.05489	53.0
81.03397	14.5
81.07058	76.8
83.04984	6.6
83.08613	16.4
91.05476	63.7
93.07044	57.8
95.04979	16.0
95.08614	57.8
97.06522	41.7
105.07029	75.4
107.04972	22.0
107.08591	33.4
109.06517	8.9
109.10163	24.8
117.07005	28.8
119.08569	50.8
121.06499	7.2
121.10114	18.9
123.08105	7.5
125.09627	10.0
129.06995	22.8
131.08583	52.4
133.10101	37.6
135.06807	6.3
135.11708	13.9
141.07018	8.4
142.07903	7.1
143.08548	29.9
145.06493	6.7
145.10144	41.2
147.11678	28.6
149.09619	11.2
149.13266	11.8
155.08517	22.2
157.10109	28.4
159.11661	39.0
161.13269	24.1
167.08467	9.9
169.10138	16.3
171.11678	28.9
173.13255	16.1
175.14856	8.3
183.11700	18.7
185.13261	16.7
187.14856	14.3
195.11713	11.8
197.13281	15.3
199.11169	8.3
199.14812	7.0
207.11707	8.2
209.13216	11.5
211.14729	7.1
241.19479	17.6
257.18958	15.2
259.20380	14.3
273.18506	10.7
275.20044	45.8
333.24200	28.3
349.23709	26.2
401.31778	6.3
437.33835	16.2
511.37610	10.4
515.38678	10.4
533.39673	12.8
551.40588	11.5
607.43329	46.7
625.29059	8.6
625.44690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15684	2.5
53.03945	5.1
55.01868	10.7
55.05513	29.3
57.03428	6.3
57.07073	3.3
65.03924	3.8
67.05504	64.4
69.03430	5.7
69.07066	27.9
71.04986	4.7
77.32922	3.2
79.05498	47.5
81.03417	9.3
81.07055	58.1
83.04980	8.1
83.08621	10.3
91.05482	35.4
93.07039	36.9
95.04964	7.2
95.08610	36.3
97.06539	10.6
97.10158	16.9
105.07025	42.1
105.89986	3.0
107.04983	5.7
107.08595	29.8
109.06539	6.7
109.10160	23.3
115.05458	4.3
117.06334	2.8
117.07036	22.2
118.60983	3.3
119.08575	36.9
121.10138	16.4
123.08074	7.0
123.11714	12.5
125.09627	6.5
128.06255	7.9
129.06966	20.6
130.94476	2.9
131.08568	27.3
133.06506	4.7
133.10121	28.6
135.08037	5.7
135.11736	9.7
141.07001	8.8
142.07753	3.9
143.08572	19.7
145.10126	21.5
147.11679	16.6
149.09621	5.1
149.13289	3.8
151.11200	3.5
155.08517	17.5
156.09366	3.6
157.10098	24.2
159.11682	17.9
161.09595	3.2
161.13283	7.0
163.11264	4.4
165.07057	3.8
167.08580	6.2
169.10133	22.3
171.11687	18.9
173.13292	12.2
175.11121	3.5
177.12729	3.5
179.08559	3.3
181.10062	7.0
183.11708	17.5
185.13176	14.4
187.13350	4.4
187.14844	9.7
189.11220	5.4
193.10175	4.9
195.11703	9.5
197.13197	13.9
199.11276	3.7
199.14848	11.4
201.16472	4.8
207.11658	5.1
209.13358	7.9
211.14828	11.4
213.16388	6.7
221.13258	6.0
223.14906	7.0
225.16446	6.7
227.12869	8.2
227.18033	4.1
229.88496	3.9
235.14925	4.0
237.16385	3.9
239.18008	5.8
241.19522	8.3
243.15919	4.2
251.18005	3.9
253.19431	3.5
259.20636	7.3
273.18588	3.6
275.20126	9.3
333.24429	9.0
364.60703	3.3
365.28525	8.7
379.30124	4.3
381.31439	4.5
383.29071	4.6
421.31216	5.4
439.32498	4.6
513.36218	17.3
515.38635	7.9
533.40051	10.1
551.40723	6.0
588.25110	3.4
607.43408	46.5
625.26892	10.3
625.44580	100.0
626.44623	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	625.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00260	2.0
55.05505	5.5
57.03432	3.3
67.05490	10.5
69.07072	4.6
71.59510	3.6
76.56796	2.2
76.78377	2.2
79.05486	9.5
81.07058	6.0
81.11009	2.6
83.08619	3.4
91.05482	7.6
93.07043	7.8
93.28476	2.2
95.08617	5.1
97.10159	2.5
105.07048	8.5
107.08601	3.5
109.10131	4.9
115.21296	2.0
119.08625	3.8
126.27235	2.2
131.08585	3.1
135.78418	2.3
164.10744	4.1
197.10805	3.3
237.14056	3.3
238.14571	5.2
247.12326	3.0
264.15063	4.5
275.20074	2.5
298.19135	2.6
361.14847	2.5
378.19168	2.5
403.19183	3.8
414.10925	8.8
446.13483	2.8
446.20773	3.8
459.18008	2.7
460.21710	3.3
462.16632	4.9
473.23874	13.1
479.24442	3.2
488.22015	4.1
501.22769	7.2
503.24442	6.0
507.23938	14.7
529.22467	3.0
531.23724	9.7
548.24420	3.2
550.22418	3.8
551.21802	3.4
575.22870	40.5
576.21307	7.7
593.23743	32.7
602.32947	3.1
607.25494	100.0
607.42603	3.6
608.24408	8.5
625.26550	79.2
625.43610	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	625.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
57.03448	0.9
67.05511	2.9
69.07083	0.9
71.59251	1.5
71.59610	1.0
79.05511	1.9
81.03425	1.8
81.07053	2.5
91.05494	2.5
93.07041	2.6
105.07028	1.8
107.08604	1.6
109.10200	1.5
119.08583	2.1
122.12325	0.8
131.08554	1.3
131.18094	0.8
143.08572	1.5
203.05293	5.7
208.37892	0.9
407.18381	0.9
421.20770	1.2
435.18066	1.0
445.25522	40.9
446.25897	2.0
449.19711	3.4
450.20212	1.5
463.21231	1.4
463.26608	25.7
464.21887	2.1
477.19205	1.8
523.23511	1.0
551.23071	1.8
565.24213	1.8
579.53168	0.9
581.23352	1.2
607.25476	1.8
610.24115	3.3
625.33105	100.0
626.24792	1.5
626.32123	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	625.3579
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03949	9.2
54.07869	5.4
55.01849	5.7
55.05503	37.6
57.03421	13.6
66.06809	5.7
67.05501	84.0
69.03410	9.8
69.07056	27.3
71.04982	15.7
71.58446	6.4
79.05488	58.2
81.03425	31.3
81.07056	85.4
83.04974	15.9
83.08613	10.0
85.06525	7.0
91.05469	59.5
93.07035	65.4
95.04950	19.8
95.08616	37.8
97.06525	14.4
97.10188	9.8
103.05447	6.8
105.07026	45.5
107.04933	7.0
107.08574	40.5
109.02881	6.5
109.10143	24.8
117.07010	19.4
119.08564	23.9
121.10121	17.3
123.08118	7.8
123.11661	9.5
129.06989	18.3
131.08559	36.2
133.06512	7.0
133.10135	25.7
133.50391	5.5
135.11693	20.9
137.09558	6.8
143.08551	11.5
145.10091	25.3
147.11707	14.1
149.13246	7.4
157.10059	13.8
159.11731	14.1
169.10048	11.5
171.11632	6.7
181.10130	12.8
183.11784	7.5
211.14847	6.2
290.55319	6.6
353.24707	13.1
371.25681	11.5
389.26801	21.4
423.27646	7.7
425.04572	6.2
445.29492	100.0
463.31250	36.5
602.47571	7.5
607.43256	8.4
625.32983	30.5
625.44635	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01863	5.6
55.05511	22.3
57.03419	8.1
61.02929	29.7
65.04987	2.3
67.05502	41.0
67.95943	2.3
69.03420	7.9
69.07075	15.7
69.80680	2.4
69.82882	2.4
70.72002	3.5
70.72360	8.1
73.02900	11.0
79.05488	39.4
81.03411	7.4
81.07052	39.0
83.04984	6.9
83.08614	16.1
85.02905	24.7
85.06525	4.0
91.03964	17.5
91.05476	49.8
93.07045	30.7
95.04976	10.1
95.08596	28.2
97.02886	14.7
97.06508	7.7
97.10176	7.7
99.04456	3.2
103.05450	4.6
105.07031	38.4
107.04926	8.4
107.08614	14.1
109.06498	5.2
109.10142	9.8
111.08097	4.4
115.05508	2.9
116.06213	3.8
117.07021	40.8
119.08590	19.3
121.06502	9.7
121.10154	11.2
123.08024	4.6
127.03870	4.6
128.06215	10.9
129.07008	38.0
130.07793	4.0
131.08553	46.6
133.06465	5.1
133.10127	15.9
135.08023	3.8
135.11673	5.3
137.09557	3.5
139.11166	2.7
141.07010	17.9
142.07779	5.9
143.08559	29.4
145.06496	8.7
145.10133	21.9
147.08029	9.9
147.11667	10.2
149.09610	8.7
155.08548	26.8
157.10133	19.3
159.08069	7.5
159.11679	17.8
161.09512	3.5
165.06979	4.2
167.08559	12.5
169.10083	20.6
171.08009	3.4
171.11710	13.1
173.09492	3.2
173.13185	3.8
175.11235	4.3
177.12762	4.6
179.08546	6.0
181.10141	15.9
183.11708	11.8
185.13252	9.0
187.11189	3.0
187.14886	4.9
193.10191	4.8
193.12109	2.5
195.11664	11.1
197.13223	9.4
199.14833	6.0
203.14302	2.8
207.11655	6.4
209.13219	7.1
211.14838	6.2
213.12857	4.0
215.14340	10.3
217.15813	3.5
221.13258	9.7
223.14865	9.6
225.12820	4.0
225.16423	4.2
227.14357	3.9
233.13268	4.2
235.14868	6.7
239.14191	7.5
241.15974	3.6
253.15918	5.0
257.15414	2.9
271.16821	8.3
305.22745	4.4
323.20105	4.2
323.23798	10.6
333.22040	22.5
341.24786	12.0
351.23212	55.1
369.24228	42.2
387.25208	16.3
425.26843	8.2
443.27985	100.0
444.28400	4.9
461.28998	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1756
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
52.60528	1.3
52.87396	1.3
55.01865	1.7
57.03433	1.8
57.56927	1.2
69.03425	3.9
69.51888	11.5
74.37506	1.4
81.03420	2.5
82.54328	1.3
82.88004	1.4
85.02897	14.1
88.01174	1.4
97.02879	3.8
101.20869	1.3
109.02869	2.2
127.03932	2.8
137.02351	5.0
145.04948	2.1
149.05952	1.9
151.03947	7.9
153.01889	1.4
165.01875	1.7
175.03813	1.3
177.01846	1.9
180.26923	1.2
195.02939	3.8
217.04936	1.7
243.06590	2.7
258.05283	1.7
259.05957	1.9
272.06842	2.7
282.05148	1.9
285.07590	2.2
286.04633	7.2
297.07480	2.2
298.04669	8.0
299.05649	2.8
300.06308	5.9
301.07043	27.7
301.10245	2.4
310.04684	3.9
311.05527	5.1
311.08942	1.5
312.06216	4.1
313.07031	43.9
314.07834	10.1
315.13266	2.5
324.06299	2.1
325.07040	21.5
327.08588	7.1
328.05734	15.5
337.07101	2.3
338.07965	4.1
339.08682	4.3
341.06638	2.1
343.08105	100.0
344.08417	3.4
353.10257	8.7
355.08215	2.9
367.08160	18.1
373.09235	4.7
379.07843	2.9
381.09525	2.5
397.09021	5.4
409.09164	6.9
427.10303	18.3
445.11288	24.8
463.12338	81.4
464.12823	2.8
505.13678	3.1
522.41644	1.5
625.17480	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05377	0.5
71.51802	1.1
148.93857	0.5
151.00227	0.6
209.10640	0.9
223.12193	0.8
234.18713	0.7
235.12228	0.6
336.71869	0.6
374.16855	0.8
375.16229	0.7
376.16791	1.1
377.17502	2.0
378.18597	0.6
388.18225	1.3
389.18057	1.9
390.18518	1.6
391.19217	4.0
392.20227	3.1
393.20691	1.6
399.16412	1.8
400.16724	1.2
401.17795	1.9
402.19238	0.9
403.19412	1.6
404.20242	1.8
405.20944	4.7
406.21533	5.1
407.22375	13.7
413.17474	2.6
414.18423	2.3
415.19418	4.1
416.20328	0.9
417.20627	1.9
419.22470	1.8
420.22980	2.0
421.23923	11.3
422.24454	3.5
427.19159	2.5
428.20129	3.1
429.20923	12.1
430.21463	2.4
431.18033	0.8
431.22787	1.3
433.15607	0.9
433.24014	1.9
442.22098	2.8
443.22604	7.0
444.23468	4.8
445.20181	2.2
446.20670	1.0
447.17978	1.9
452.21634	0.7
455.18475	1.0
456.19370	1.0
457.18997	1.2
457.23856	4.1
458.24985	8.7
459.21991	7.5
460.22305	2.3
461.19788	3.4
462.20395	1.9
463.21091	1.9
470.21680	1.2
471.21664	2.6
472.22806	8.8
473.23987	3.4
474.20486	1.6
475.20953	6.5
476.21750	8.5
477.22479	4.6
478.23605	0.9
484.18835	1.4
485.23590	17.4
486.23944	4.9
487.20993	1.1
487.25049	0.6
488.21960	2.8
489.22845	4.7
498.19983	0.7
499.21616	4.4
500.22153	2.5
502.23615	1.9
503.24469	9.1
504.24359	2.4
507.23825	1.8
508.28479	1.3
508.82910	0.7
513.22888	4.9
514.23773	2.3
515.24451	1.3
517.26282	9.9
521.25543	1.2
529.25964	1.7
531.23944	1.4
535.27252	6.3
536.27655	1.6
537.24170	0.7
545.25494	97.8
546.25751	5.0
563.26215	2.3
564.26941	2.7
573.25024	22.7
574.25153	1.3
591.26019	1.7
605.27618	100.0
606.27802	5.1
623.28656	78.2
624.29010	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36013	1.3
51.54654	1.3
52.45908	1.6
53.03933	1.7
55.01870	2.5
55.05494	3.5
62.32653	1.4
65.90709	1.5
67.05504	8.2
68.34901	1.4
69.03437	2.1
69.07059	5.2
71.59354	1.3
71.59750	2.5
79.05481	7.5
80.01556	1.4
81.03403	4.0
81.07059	9.1
83.04970	2.2
83.08624	3.5
91.05470	6.9
93.07037	7.3
95.04964	2.4
95.08599	7.3
97.06531	2.9
97.52963	1.5
99.76859	1.4
105.07009	9.5
107.04981	2.1
107.08589	3.7
109.06532	2.7
109.10159	3.5
117.07043	2.3
119.08590	5.0
121.10196	3.8
125.09680	1.6
129.06999	1.8
131.08508	3.4
131.21771	1.7
133.10158	3.6
135.11717	1.6
145.10127	3.2
147.11638	1.5
149.09674	2.0
159.11707	2.3
165.22266	1.8
173.13223	1.9
211.13373	1.8
257.18848	2.1
275.20108	8.1
279.40958	1.7
283.73038	1.5
336.93762	1.7
375.16718	1.8
378.18481	2.2
390.18954	1.8
391.19138	4.4
392.20151	2.0
401.17661	2.8
407.22351	2.9
415.18954	2.1
421.20129	2.1
429.21155	2.7
444.19260	4.3
447.17957	3.8
448.18753	2.7
458.20435	1.9
461.19769	3.5
462.20398	2.4
465.22614	1.9
471.21805	5.6
473.19373	2.0
474.20270	3.0
475.21259	4.9
486.20535	3.8
489.23474	2.6
490.19922	5.4
491.20508	3.7
499.21500	10.9
503.20483	4.2
513.19055	6.9
517.22437	15.5
518.20660	1.9
527.20917	3.3
529.22192	7.7
531.20374	3.0
535.23395	2.0
545.21930	28.8
547.23346	2.4
555.20563	2.5
573.20953	9.2
577.24274	3.5
591.22168	3.5
605.14648	3.0
605.23962	52.4
606.24316	2.5
623.24976	100.0
623.40771	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	623.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
57.03427	0.8
69.03455	0.8
70.50385	1.5
79.05484	1.5
85.02896	1.7
95.04972	2.0
98.21425	0.7
99.83145	0.8
107.04954	100.0
108.05267	1.0
121.36932	0.7
184.25659	0.7
201.05524	1.3
216.04080	1.6
217.04941	3.7
218.97252	0.6
219.06467	1.4
227.07101	0.8
229.04941	7.6
230.05725	2.1
231.06538	1.8
241.04903	2.1
242.05876	0.7
243.06586	2.9
244.07257	1.2
247.06033	7.1
255.06619	1.1
257.08054	1.2
258.05154	0.9
259.06000	7.5
269.08078	1.3
271.06033	3.0
273.07584	2.6
283.06113	1.7
287.09204	0.9
297.07599	1.5
301.06995	2.3
313.06985	1.3
323.09143	8.9
325.07074	1.1
335.09204	7.3
341.10080	1.0
349.10681	1.4
353.10208	19.4
361.10678	0.9
365.10205	10.0
375.12280	1.7
377.10178	8.2
378.15463	0.8
379.11884	1.8
383.11261	5.2
389.10141	3.6
393.13214	1.2
401.09918	1.1
403.11661	1.6
407.11252	15.0
413.10074	1.0
419.11200	6.5
431.11160	5.1
437.12262	9.1
449.12421	6.5
450.12228	1.1
455.13345	9.8
456.13501	0.8
461.12546	1.1
467.13412	7.2
473.12897	1.2
485.14374	19.7
491.13358	1.6
502.43991	0.8
503.15027	2.6
509.14465	7.7
515.13141	1.0
527.15472	1.5
533.14514	2.2
539.15552	4.0
551.15460	5.4
569.16614	5.6
587.17255	2.6
605.18097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05509	5.1
57.03431	0.9
67.05505	8.7
69.03427	1.2
69.07058	3.3
70.19970	3.2
70.20352	1.8
79.05500	5.9
81.03410	5.4
81.07054	8.5
83.05011	1.2
83.08607	2.5
89.90276	0.9
91.05481	6.7
93.07036	6.4
95.04980	2.4
95.08613	5.4
97.10168	3.2
100.17683	0.9
105.07027	9.7
107.08604	3.2
109.10166	3.6
117.07023	3.3
119.08586	4.4
121.10136	2.8
123.11726	1.1
125.09648	2.6
128.06183	1.3
129.07022	2.5
131.08600	2.3
133.10150	2.3
135.08069	1.1
135.11754	1.1
141.06969	1.6
142.07808	1.1
143.08583	2.3
145.10143	3.9
147.11665	2.1
155.08554	2.7
157.10175	3.4
159.11754	1.5
167.08600	1.1
169.10135	2.9
171.11688	1.3
179.08554	1.1
181.10175	1.8
183.11728	2.5
185.13301	1.6
189.11308	1.6
195.11603	1.1
275.20047	1.6
291.19705	1.6
295.64941	1.1
363.16693	1.0
377.17661	3.1
378.18613	1.7
379.29813	1.9
386.15732	1.1
389.17834	1.5
391.19193	4.1
392.19922	1.9
399.16248	2.3
400.17099	1.4
401.17737	3.5
405.21091	2.1
406.21518	1.1
407.22403	3.4
413.17715	1.5
414.18405	2.2
415.19635	5.0
416.20245	1.2
417.16595	1.4
419.18698	3.1
421.20178	1.8
428.20184	2.5
429.20840	3.8
430.21542	1.9
431.18506	1.8
433.20737	1.5
435.21713	2.7
439.19806	1.1
443.17957	2.1
443.22772	3.0
444.19806	3.3
445.20020	2.0
447.18301	3.6
448.18674	1.9
456.19559	1.4
457.20398	1.4
458.21149	1.8
459.18005	2.1
460.19031	1.2
461.19690	2.2
462.20343	2.7
463.21225	1.5
471.22357	6.9
473.19159	2.4
474.20810	2.3
475.16852	1.8
475.21973	2.9
476.18832	1.2
477.19168	1.1
483.21399	1.7
484.18439	1.6
485.20581	1.9
486.20612	4.0
489.23721	6.6
490.19458	4.4
491.20782	2.9
499.21231	15.4
500.18149	1.3
501.23349	6.3
503.20560	4.6
507.24509	1.6
513.19098	1.5
516.21661	1.7
517.22333	11.9
527.21039	2.5
529.22473	9.6
535.23456	3.5
536.24103	1.5
545.21844	55.7
546.22229	1.9
555.20380	1.9
563.23346	1.5
564.23090	1.7
573.21283	18.1
577.24487	1.6
591.22284	1.8
605.23956	100.0
606.24249	3.6
623.25006	71.4
623.42743	15.6
624.24841	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	622.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01871	16.7
55.05512	9.6
56.76436	1.3
57.03428	3.3
57.07079	2.9
67.05176	2.6
67.05508	35.5
69.03430	27.1
69.07070	11.9
71.04998	8.6
71.08643	2.3
72.80051	1.5
73.02928	7.2
79.05495	10.4
81.03420	33.7
81.07057	41.0
83.05007	2.4
83.08615	7.5
85.02911	16.1
91.05489	8.8
93.07045	13.7
95.04939	2.3
95.08607	25.8
97.02892	30.8
97.03514	1.8
97.06502	2.4
97.10183	3.7
99.04454	57.8
99.08134	1.6
105.07022	9.4
107.04979	1.6
107.08602	7.2
109.02880	35.5
109.10156	13.6
111.04441	5.4
111.08078	2.4
111.11684	2.7
113.09597	1.7
119.08588	4.6
121.10141	8.1
123.11726	6.5
127.03917	100.0
129.05495	2.9
129.06952	1.5
131.08594	3.0
133.10118	5.5
135.11691	3.6
137.13301	4.2
145.04953	19.1
145.10165	1.6
147.11673	4.4
149.13286	3.8
161.13205	2.0
163.14772	3.2
175.14876	4.2
189.16347	2.0
214.55182	1.4
243.21086	2.0
245.22697	7.6
261.22131	5.2
263.23718	20.0
279.23169	4.5
343.26392	2.1
353.24591	2.0
359.25879	4.5
371.25912	10.2
375.48630	1.4
389.26859	3.8
407.27905	11.6
425.29022	24.4
476.25034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01870	1.3
57.03428	3.8
59.04988	1.0
61.02910	0.5
67.05481	2.2
69.03426	15.7
69.07054	2.1
71.59399	1.0
73.02874	0.8
75.04478	1.0
76.78453	0.6
79.00880	0.6
79.05497	5.1
79.05923	0.8
81.03410	3.6
81.03800	0.6
81.07046	2.2
83.04958	1.3
83.08604	1.3
85.02425	1.1
85.02899	12.4
87.04471	10.5
91.05470	2.2
93.07041	1.9
95.04965	3.6
95.08593	2.8
97.02892	14.0
99.04430	1.1
103.05457	1.2
105.07030	11.9
107.04949	5.6
107.08563	1.0
109.02873	1.1
109.06449	0.8
109.10152	1.2
110.80117	0.7
111.04440	0.6
115.03916	13.8
115.05385	0.6
117.06997	0.9
119.08563	1.3
121.06493	2.7
121.10070	0.8
123.04427	7.8
125.57717	0.6
127.03889	2.1
131.04939	0.8
133.04987	14.4
133.06483	50.3
133.10138	0.9
134.06847	1.1
135.04408	76.2
136.04773	0.9
137.05905	1.0
141.09184	0.6
145.04964	1.8
147.04378	1.5
147.11671	0.6
149.05975	2.6
149.09618	0.8
150.07629	4.9
153.05432	0.8
161.06006	0.8
165.05466	2.5
167.07005	1.3
175.03891	1.0
177.05498	4.5
180.08617	0.7
187.06082	0.7
189.09097	1.8
191.10661	100.0
192.11031	1.0
193.08505	0.8
201.05455	1.7
213.05400	1.5
215.10768	1.1
231.06470	2.2
233.11722	2.8
243.06546	1.3
247.13283	0.8
255.10213	6.1
257.11761	1.5
275.12683	0.9
287.12747	1.5
297.11105	0.7
303.22876	0.8
311.16452	4.5
323.14844	11.2
335.14862	1.5
351.11871	1.1
353.16019	1.2
357.13086	0.9
387.14471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89595	0.2
53.03935	0.3
53.20355	0.3
55.05534	0.2
56.05847	0.2
56.15847	0.2
59.05005	1.1
62.31576	0.2
65.03942	0.3
67.01875	0.2
67.05508	0.6
69.03418	1.1
69.07056	0.5
71.04985	0.2
71.20386	0.5
79.05486	0.7
81.03434	0.8
81.07041	0.3
84.04519	0.3
85.02917	1.0
91.05477	2.7
93.07030	0.6
95.04980	0.5
97.02886	0.9
105.07034	0.7
107.04937	0.6
107.08623	0.4
109.02888	0.4
109.06488	0.5
111.04446	0.4
115.05442	0.5
116.06284	0.4
119.04937	12.3
119.08559	0.3
121.02860	0.3
121.06497	0.5
121.10136	0.3
123.04467	0.3
127.03909	0.5
128.06216	0.5
129.06992	0.7
130.07790	0.2
131.08563	5.4
133.06477	0.6
133.10121	0.2
135.04399	0.2
139.03889	2.1
141.06964	0.7
143.08539	1.2
144.05690	1.0
145.06502	0.4
145.10149	0.3
158.07272	0.6
159.08055	10.7
161.06013	1.2
161.09583	0.8
163.03888	0.3
165.05476	1.2
169.06488	0.6
173.09569	0.5
174.06772	0.5
175.07620	0.3
176.08447	0.3
177.05392	0.3
186.06728	0.8
187.07541	39.3
188.08188	0.7
189.05458	3.3
189.09113	2.1
191.07008	0.3
191.10776	0.3
201.09059	3.4
204.07796	0.8
213.08955	0.2
219.10152	100.0
220.10448	0.9
226.50862	0.2
235.10812	0.2
237.11229	1.9
245.11749	0.9
263.12769	0.4
307.13177	0.4
339.15823	0.3
357.16928	0.3
411.19531	0.3
413.99796	0.2
441.41956	0.2
467.15204	0.3
622.33746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33596	0.7
53.03946	1.0
55.01867	1.4
57.13239	0.7
59.05005	1.4
61.02948	0.8
67.01878	0.8
67.05486	0.9
69.03439	4.0
69.44341	1.3
69.44756	6.3
71.02531	0.7
71.05000	0.8
73.02889	0.8
79.05484	1.1
81.03406	3.1
83.37022	0.8
85.02911	9.3
87.00848	2.2
91.01669	0.7
91.05477	4.9
93.07049	1.3
95.04989	0.9
97.02901	4.6
98.20702	1.2
99.04440	1.0
105.01864	2.6
105.07026	4.2
107.04959	4.0
109.02178	0.9
109.02895	2.6
109.06600	0.8
111.04461	1.1
116.06297	0.8
117.06979	1.1
119.04948	24.8
121.06485	1.4
123.04414	1.1
124.74195	0.8
127.03930	5.8
128.06203	0.9
131.08578	11.7
133.06494	10.5
139.03900	3.1
141.06969	1.3
143.08574	2.5
144.05731	1.3
145.05016	1.7
145.06493	0.9
145.10107	1.3
147.04396	0.9
153.05450	1.7
158.07352	1.1
159.02870	1.3
159.08051	23.8
161.05998	2.4
161.09544	1.9
165.05504	1.4
167.07050	0.8
171.07916	0.9
173.09660	2.3
177.05397	0.9
177.09102	1.1
183.01117	2.2
185.09647	0.9
186.06688	1.1
187.07545	78.4
188.08232	1.3
189.05493	5.1
189.09122	3.0
191.07065	1.0
195.01068	1.5
197.38177	0.7
201.09126	7.7
204.07913	1.8
205.08685	1.5
206.02774	1.2
213.09088	2.3
219.10172	100.0
220.10591	1.4
222.12564	1.2
226.83199	0.7
230.09415	1.1
245.11736	19.0
251.07417	2.8
261.11148	1.0
272.05890	2.6
328.12054	1.3
337.14310	1.2
339.15875	2.1
340.12006	1.1
371.13010	1.5
392.11813	1.3
460.17825	1.5
467.15518	73.9
468.15744	1.5
590.86060	1.0
634.11743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21908	0.8
71.59685	1.4
76.65710	0.8
96.24269	0.8
152.69562	1.0
184.16406	0.9
209.10741	2.2
210.11258	0.9
220.10191	1.0
222.11418	1.2
223.12340	1.9
225.13876	1.5
237.13834	1.6
259.12152	1.1
326.13010	1.0
344.13687	1.0
375.16235	1.0
388.17316	1.2
389.17932	2.0
390.18600	1.5
391.19171	1.0
403.15253	2.1
405.20892	2.0
416.16449	1.1
417.17093	3.6
418.17841	3.0
419.18652	2.1
420.23566	1.1
429.17087	1.0
431.18869	2.5
432.19360	2.8
433.20044	4.8
436.18887	1.2
444.15903	1.8
445.15961	1.8
446.17416	3.6
447.17950	6.6
447.22369	5.3
448.18555	2.7
459.17902	1.6
460.18930	2.8
461.19250	8.0
462.20441	5.5
463.20822	1.4
464.21707	1.0
473.19464	1.7
474.20502	1.5
474.63089	0.9
475.21240	28.6
476.21991	13.7
477.22919	8.6
487.21704	1.7
488.22113	1.4
489.22772	2.8
490.23587	1.0
503.20404	5.7
505.22507	1.0
520.21765	1.3
521.21210	1.4
533.21539	1.5
534.26007	1.7
535.23187	15.1
536.24176	3.0
547.23602	4.8
548.23969	2.4
549.25043	1.9
551.26758	1.3
561.25177	1.5
562.25427	19.0
563.26605	18.3
566.28625	1.3
575.22345	1.6
579.25989	2.2
590.25043	8.1
593.24036	6.1
594.28748	4.5
607.25439	4.8
608.25970	1.1
622.27789	100.0
623.28229	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	622.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
55.05513	1.7
57.03423	0.8
65.03932	1.4
67.01862	4.7
67.05493	1.7
69.03418	4.3
69.07053	2.1
69.38825	6.8
69.39250	2.3
73.02930	1.3
79.05482	2.3
81.03418	4.0
81.07055	2.6
85.02914	6.5
85.06523	0.8
86.44080	0.8
87.00819	1.6
91.05469	2.6
93.03391	3.9
93.07047	2.4
95.04971	1.8
95.08598	2.0
97.02885	2.7
97.10122	1.0
103.05473	2.6
105.01854	2.0
105.07001	2.8
107.04953	11.4
107.08629	1.2
109.02872	3.2
109.06494	1.0
112.03514	0.9
113.61020	0.8
116.78700	0.9
117.07029	1.2
119.04945	3.3
121.06596	1.3
123.04417	1.4
123.86925	0.9
127.03899	3.1
131.04878	2.6
131.08514	1.2
133.06490	1.9
133.10077	1.0
135.04417	5.1
135.08012	1.0
137.05966	1.8
145.04907	1.5
145.06482	1.4
147.04433	4.8
148.05185	1.0
149.05966	2.1
151.98071	0.8
153.05432	1.0
159.02934	1.7
159.11601	0.9
161.05954	8.2
163.07552	3.1
165.05472	57.0
171.08025	0.9
173.05911	1.2
176.04680	5.2
177.05475	1.0
179.07018	11.4
189.09140	4.9
191.07021	87.3
203.10674	1.8
215.10687	3.5
221.11714	35.4
221.13881	2.0
223.07556	1.4
241.08656	1.0
247.13292	100.0
248.13722	1.0
269.08072	4.0
283.09558	1.0
299.09048	1.0
301.10709	14.6
321.24146	1.6
325.14694	1.0
343.11841	1.6
349.35226	0.9
357.17072	1.2
358.83386	0.9
549.16156	9.8
622.33380	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01857	1.9
56.65816	0.7
57.03403	1.1
60.47322	0.6
61.02911	1.4
67.01866	8.5
67.05492	0.9
67.85057	0.7
68.99776	0.9
69.03424	6.1
69.07063	1.0
69.49863	4.0
71.04984	1.1
73.02887	0.8
73.06535	0.9
79.05486	1.7
81.03057	0.7
81.03427	6.3
81.07039	1.6
85.02901	13.7
87.00814	4.3
91.05470	2.3
93.03410	1.0
93.07007	1.0
95.04953	1.2
95.08567	0.7
97.02872	4.7
99.04436	1.9
103.05472	0.9
105.01862	3.8
105.06937	0.7
107.04949	20.9
109.02860	4.9
109.06538	1.0
117.01887	0.7
119.03440	0.9
119.04919	1.2
121.06491	1.0
123.04423	4.9
127.03909	6.6
129.01906	1.1
133.06503	1.0
133.10168	1.2
135.04437	8.2
135.08018	0.7
137.05977	1.5
139.36804	0.6
145.04953	2.6
145.06477	0.9
147.04398	2.5
147.08098	0.7
149.05969	4.8
150.03119	0.9
151.03891	0.8
153.05444	3.1
159.02927	3.3
161.05972	2.8
163.07587	1.2
165.05469	100.0
167.07039	1.4
171.08067	0.7
176.04669	1.5
179.06973	5.0
189.05441	0.9
189.09117	10.7
191.07014	23.3
207.06549	2.8
207.10190	0.7
215.10608	1.6
221.11720	47.4
222.12186	0.9
231.04790	0.8
231.10222	0.7
247.13281	26.7
247.15820	1.3
269.08014	1.3
301.10699	9.5
325.10776	1.1
343.11765	1.6
369.11896	1.6
401.10718	0.8
413.10803	4.3
469.17050	45.3
470.17249	1.0
519.39679	0.7
549.15887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
56.41079	0.4
57.03435	0.4
57.92939	0.4
59.04983	1.8
65.03957	0.5
67.05501	0.7
68.96157	0.4
69.03420	1.8
69.48836	2.8
69.49253	0.9
79.05495	0.5
81.03402	1.5
81.07041	0.8
85.02891	2.2
87.00824	0.5
91.05486	3.9
91.43744	0.5
93.07034	0.9
97.02891	1.2
103.05424	0.7
105.01865	0.5
105.07013	1.7
107.04937	1.6
107.08572	0.5
109.02897	0.7
109.06499	0.5
109.10149	0.9
111.04447	0.7
115.05454	0.4
116.06265	0.7
117.06948	0.7
119.04940	18.2
121.06447	0.6
127.03933	1.1
128.06177	0.8
129.07002	1.2
131.08568	8.0
133.06468	2.7
137.05995	0.5
139.03906	1.4
141.07025	0.8
143.08540	1.7
144.05704	1.1
145.06462	0.8
145.10083	0.6
149.06058	0.5
151.07582	0.7
158.07277	1.0
159.08054	16.8
161.05946	1.8
161.09613	1.4
163.03917	0.4
165.05478	2.1
167.07048	0.4
171.08057	0.4
173.09554	0.8
174.06767	0.7
186.06804	1.2
187.07547	51.3
188.08229	0.7
189.05457	4.2
189.06929	0.6
189.09111	2.0
191.06995	0.8
191.10686	0.5
201.09123	4.5
204.07809	1.5
213.09149	0.6
218.81577	0.4
219.10161	100.0
220.10522	0.6
237.11226	2.6
245.11713	3.5
307.13358	0.9
327.64423	0.4
339.15906	0.6
341.02017	0.5
538.03204	0.5
635.44141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
57.03423	2.2
61.02920	3.5
65.54440	1.8
67.05502	2.4
69.03436	10.3
69.07072	6.2
69.58822	2.9
69.59222	11.3
79.05479	6.7
81.03417	7.7
81.07073	3.6
85.02912	20.2
86.06059	1.7
86.09713	1.7
88.03993	2.9
91.05476	4.3
93.07082	2.8
95.04984	3.9
95.08582	1.8
97.02901	7.5
99.02672	3.1
100.71796	1.7
103.05476	3.7
105.07030	29.4
107.04956	62.8
107.08617	1.9
109.02900	3.6
109.06522	1.7
111.02704	2.9
115.05518	2.3
119.04949	5.4
120.05741	6.6
121.06490	4.0
123.02644	1.6
123.04441	4.8
127.02145	5.4
127.03924	4.9
131.05013	2.4
131.08511	3.4
133.06496	100.0
135.08038	2.1
137.06024	3.9
139.02103	2.8
139.03886	8.2
141.00053	3.3
145.04857	1.7
147.04324	1.8
147.08044	2.8
149.00510	2.0
149.05975	2.1
151.03966	2.7
153.05478	32.2
155.01634	18.3
159.08083	6.1
161.06007	2.6
163.03940	2.3
163.07645	1.7
165.05469	14.1
166.06281	12.2
167.01636	8.1
167.07043	1.8
169.03171	8.3
175.07562	2.4
177.05418	8.5
177.09138	4.4
178.03337	7.4
179.01657	2.9
181.03246	4.2
181.08623	2.1
183.01122	75.7
185.02676	17.8
187.07559	8.3
189.05553	2.2
189.09113	3.2
191.05307	2.2
191.06998	2.5
191.10693	4.3
194.00328	1.9
194.02765	4.3
195.01117	95.7
197.02696	23.4
197.24579	1.6
201.02121	3.7
201.09120	2.6
205.08653	6.7
206.02719	28.9
206.09409	1.8
207.10168	2.0
208.04295	6.6
209.02695	18.1
217.08807	2.2
219.10152	32.5
221.02643	2.8
221.06233	1.9
221.11784	1.8
222.12508	25.7
226.05348	11.7
233.06322	2.5
239.02454	2.8
239.07333	11.6
240.03226	9.6
245.11787	3.7
251.07384	54.6
252.03268	29.4
253.08986	5.3
255.03165	11.1
262.09015	4.0
263.07541	2.2
265.08908	6.2
266.04916	2.0
272.05887	85.3
283.09680	7.6
284.05872	9.4
284.10410	2.0
290.08337	4.0
296.09573	1.9
303.06891	3.6
308.09579	5.7
315.06860	27.6
328.12140	37.9
339.16028	5.8
340.12155	30.8
340.16666	13.4
359.08221	2.2
371.13077	38.9
372.09293	8.2
375.09088	3.0
392.11523	22.1
404.11624	23.0
460.11792	2.7
460.17917	37.6
467.15268	5.2
622.23242	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	622.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01872	2.2
57.03436	1.8
58.99615	1.5
61.02932	1.8
63.90398	1.1
65.03930	1.5
69.03432	5.6
69.07060	4.7
69.79112	2.2
69.79520	4.5
70.31986	1.1
71.04997	1.2
73.02897	1.0
74.00665	1.8
79.05487	5.4
81.03430	2.4
81.07066	1.4
85.02901	16.2
86.56145	1.2
88.03994	2.9
88.27380	1.1
91.05463	2.1
95.04956	2.5
96.04574	1.1
97.02886	5.9
98.21489	1.4
99.02669	2.2
99.04436	1.4
103.05485	2.9
105.06506	0.8
105.07034	29.5
107.04958	54.2
109.02867	2.7
109.06515	1.5
111.02675	4.5
120.01117	1.5
120.05721	5.0
121.02863	1.5
121.06477	2.0
123.04438	1.9
127.02154	4.9
127.03918	2.7
131.08595	1.5
133.06493	100.0
134.06812	1.5
137.05969	3.5
139.02196	1.6
139.03889	10.1
141.00075	3.8
145.05098	1.4
147.08125	1.3
148.67361	1.3
149.00580	1.5
149.51602	1.1
151.02115	1.6
151.03926	1.7
153.05466	31.3
155.01608	16.3
163.03915	1.9
165.05499	13.2
166.06267	14.6
167.01622	9.4
167.07085	1.9
169.03226	7.5
171.01152	1.7
174.06779	1.2
175.07570	2.0
177.05461	5.8
177.09120	4.4
178.03252	6.6
179.01645	2.8
180.04962	1.3
180.99466	1.3
181.03195	4.1
183.01117	75.0
184.01454	1.1
185.02698	18.1
187.07607	1.6
191.05443	1.4
191.07092	3.1
191.10741	2.3
191.24373	1.2
193.03174	1.5
194.00505	1.8
194.02740	6.8
195.01118	98.2
197.02663	23.4
199.04195	1.8
201.02165	1.2
201.09132	2.3
205.08656	5.1
206.02725	30.7
208.04265	7.1
209.02661	18.8
209.06393	1.4
211.07791	1.6
219.10164	18.6
221.02715	2.0
221.11818	1.9
222.12511	25.3
223.07808	2.4
225.09225	1.7
226.05386	11.8
231.10109	1.4
233.06329	3.2
239.02525	2.5
239.07344	13.1
240.03253	7.9
249.09399	1.8
251.07364	56.6
252.03265	27.3
253.08841	3.2
255.03162	11.7
260.05957	1.3
262.09073	4.0
263.07434	1.9
265.08926	5.0
267.06931	1.5
272.05872	88.6
273.06140	1.5
273.54755	1.2
283.09714	4.9
284.05887	8.1
284.10464	3.3
285.11356	1.5
290.08408	3.7
296.09509	2.4
303.06915	5.1
308.09402	7.4
311.09476	3.7
315.06848	23.7
317.08475	2.9
328.12103	29.6
329.12445	1.5
339.11551	1.9
339.15903	5.8
340.12143	28.9
340.16699	12.5
359.08289	1.6
360.08694	1.5
371.13141	38.9
372.08908	5.1
372.13278	2.1
375.09009	1.9
392.11584	24.5
404.11679	20.4
460.17877	33.4
461.18018	1.9
622.22937	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62430	4.6
53.03936	14.3
55.01860	18.1
55.05510	66.9
56.96571	7.8
57.03421	17.3
61.02920	7.5
67.05177	5.9
67.05505	74.7
69.03424	35.6
69.07055	16.7
70.65312	17.9
70.65662	6.2
71.01353	10.8
71.04985	11.0
73.02911	5.5
79.05492	68.2
81.03423	80.7
81.07052	87.8
81.91669	5.3
83.04969	19.8
83.08621	29.1
85.02894	29.7
85.06557	6.9
91.05476	66.6
93.07030	58.5
95.04966	25.3
95.08591	31.8
97.02908	31.7
97.06540	11.2
97.10162	40.3
99.04435	9.3
101.78484	5.6
103.05448	13.9
105.07038	41.7
107.04920	15.8
107.08606	39.1
109.02862	17.4
109.06509	15.0
109.10145	15.5
111.04420	9.6
111.08100	10.9
115.05475	8.9
117.07025	55.1
119.08604	31.0
121.06506	10.5
121.10142	15.8
123.08030	7.9
123.11732	5.8
124.93777	5.3
125.09646	38.1
127.03900	18.5
128.06195	7.5
129.06979	24.1
131.04865	5.4
131.08571	39.9
133.06483	12.8
133.10109	19.6
135.08104	15.1
135.11667	18.0
137.09648	7.6
141.06999	12.8
143.08548	17.2
145.06488	13.9
145.10106	27.9
147.08022	13.4
147.11694	12.7
155.08548	16.5
157.06442	6.0
157.10153	9.5
159.08026	7.5
159.11647	10.3
161.06046	7.8
163.11186	14.2
167.08549	9.3
169.10112	12.1
169.11578	4.7
171.11694	7.7
173.04428	13.7
173.09602	5.8
173.13191	5.8
185.09676	6.7
185.13171	6.2
187.14819	12.9
189.11230	23.2
191.10652	12.1
195.11790	9.0
195.13678	10.2
197.13197	9.6
209.11687	13.3
213.12843	7.9
215.14282	51.3
227.12709	23.8
243.13708	5.6
257.15350	7.1
259.13135	6.1
287.16263	7.6
349.21753	11.0
367.22464	33.1
385.23633	21.0
403.24756	7.1
441.26431	64.7
459.27383	100.0
469.19189	25.7
477.28470	10.9
539.29230	5.4
603.31201	18.7
621.32343	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05515	0.7
67.05501	1.0
69.46645	0.3
69.46954	2.8
79.05492	0.8
81.07064	0.7
91.05478	0.8
92.01386	0.3
93.07048	0.7
105.07015	0.7
107.08566	0.4
109.10093	0.4
117.07050	0.5
121.10318	0.3
128.94035	0.3
134.88365	0.3
145.10123	0.5
148.26031	0.3
190.55669	0.4
233.10634	0.4
251.11807	0.4
324.15384	0.4
373.14651	0.4
375.16187	1.0
376.16595	0.4
387.16315	0.9
388.16864	1.2
389.17560	3.9
390.18588	1.7
391.19244	0.9
401.17780	1.2
402.14001	0.4
402.18497	1.4
403.19418	5.5
404.20157	1.7
405.20807	2.4
415.14905	0.6
415.19724	0.7
416.16016	0.7
416.20639	0.6
417.16159	3.6
417.21115	2.3
418.16867	0.6
418.21640	1.4
419.22394	6.9
420.22964	1.0
429.21518	0.4
430.17822	1.1
431.18057	6.5
431.23608	0.7
432.18927	2.2
433.19876	2.4
443.18674	0.5
445.20190	5.6
446.21066	7.1
447.21793	10.1
448.22641	0.6
458.21378	0.5
459.22809	2.7
460.18213	0.8
461.19247	1.8
473.19067	0.9
473.23825	1.2
474.20270	6.4
475.21213	8.6
476.22513	0.4
478.23849	0.7
487.21240	3.6
488.22015	1.0
491.21066	1.3
492.25577	0.4
501.22751	2.3
505.25955	1.4
517.23370	0.5
518.23022	0.7
519.20532	1.0
529.22321	0.6
533.25488	14.4
534.25922	0.6
546.22729	0.5
561.24945	22.4
562.25214	1.2
589.24475	1.5
593.27502	4.2
621.27051	100.0
622.27155	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.95609	0.5
63.36836	0.4
66.78114	0.5
70.30375	2.1
80.93427	0.4
106.63789	0.5
167.32103	0.5
175.60568	0.4
195.94405	0.5
278.76978	0.4
373.14572	0.5
375.16101	1.2
387.16113	1.1
388.16956	1.3
389.17502	2.6
390.18466	1.0
391.19144	0.7
401.17896	1.1
402.18564	1.0
403.19342	3.4
404.19980	1.9
405.20734	2.3
416.20444	0.7
417.16293	3.5
417.21426	1.5
418.17444	1.0
419.22418	6.9
420.22806	0.7
429.21368	0.6
430.17667	0.8
431.17972	4.8
432.19565	2.0
433.20416	2.1
443.18637	0.9
445.20007	5.2
446.20868	7.8
447.21707	10.9
459.21860	2.7
459.32169	0.5
460.22791	1.0
461.19781	1.3
463.21527	0.9
473.18945	1.0
473.24460	1.0
474.20370	7.0
475.21170	7.5
487.21417	3.4
491.20816	1.6
501.22803	2.1
505.26385	1.0
518.22894	0.8
519.20514	0.6
529.22186	0.7
533.25592	13.8
534.25861	0.9
561.24988	19.9
562.25488	1.5
589.24463	1.3
593.27350	3.7
621.27087	100.0
622.27472	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70219	0.9
71.33821	1.8
81.98282	0.8
104.95989	0.8
208.45941	0.9
375.16159	1.2
387.16040	1.4
388.16837	2.7
389.17712	3.5
390.18442	2.0
401.17743	1.7
402.18597	1.6
403.15091	0.8
403.19272	7.2
404.19882	3.6
405.20374	2.1
415.15167	1.3
416.15720	1.8
417.17142	4.8
417.21332	3.2
419.22375	10.5
420.22531	1.1
430.17654	1.4
431.18158	10.8
432.19495	3.9
433.20264	2.0
443.18839	1.4
444.19623	1.5
445.20273	8.5
446.20901	6.3
447.21829	14.1
459.17010	1.5
459.22223	3.2
460.23187	1.1
461.19016	1.3
473.19055	1.2
474.20422	16.9
475.21335	20.4
487.21271	4.9
488.22067	1.8
491.21246	1.3
501.22751	3.8
505.26611	1.7
518.23004	1.2
533.25647	15.5
546.22229	1.1
561.24957	100.0
562.25385	4.6
585.14301	1.0
589.24585	2.7
593.27661	6.5
621.27057	98.2
622.27472	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	621.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01875	1.5
57.03442	2.5
61.02922	2.2
65.67517	1.4
67.05521	1.9
69.03437	3.3
69.46171	13.3
70.06591	5.7
73.02912	1.7
79.05506	1.6
81.03397	3.4
85.02903	9.7
85.55146	1.3
86.09711	2.6
86.43712	1.3
91.05476	4.7
93.03412	1.6
94.54829	1.5
95.04983	2.9
97.02892	3.4
102.55762	1.5
103.03878	1.4
103.05487	2.9
105.06993	2.6
107.04963	10.0
109.02880	3.5
117.06989	3.7
118.06546	2.2
119.04922	8.4
121.02883	2.8
121.06511	2.2
123.04417	2.9
127.03933	2.7
131.04953	4.2
135.04440	2.2
139.03947	2.0
141.01834	1.6
144.05692	4.3
145.06493	11.0
146.06023	3.2
147.04401	26.6
151.03888	2.1
155.06039	1.9
159.04381	2.5
161.05960	2.1
163.03888	2.4
165.01854	1.7
167.07036	2.1
171.04413	4.9
173.02271	1.7
173.06027	1.9
175.03917	3.0
176.01042	3.7
177.01868	4.8
177.05490	2.5
179.03462	3.6
181.04939	2.5
189.01895	8.0
189.05486	2.7
190.02658	2.6
191.03389	8.7
194.02127	3.9
195.02847	10.4
197.04498	1.8
203.03387	10.5
205.05049	4.0
207.02890	11.8
208.03630	2.9
209.04453	2.4
210.69084	1.6
215.03264	3.3
217.04953	3.6
219.02937	8.4
221.04466	3.6
225.03824	3.5
229.04933	3.6
231.02879	2.4
233.04408	4.9
241.08614	3.3
243.02982	2.9
245.04472	2.3
247.06029	2.1
257.04388	4.2
273.03961	3.4
285.03989	2.4
293.08139	4.2
302.05948	1.8
305.08124	3.4
307.09747	3.7
309.07574	7.3
315.13483	3.3
316.13724	3.6
317.13864	3.2
318.14270	2.3
319.06076	2.7
319.09628	3.1
320.06757	4.4
321.07568	67.8
322.08255	5.0
323.09033	9.3
331.09824	2.3
333.07550	42.9
334.08340	6.9
335.09137	11.6
339.08731	5.4
345.07596	6.0
345.11343	2.8
346.08371	3.3
347.09091	24.9
348.09924	5.0
349.10721	5.9
351.08618	100.0
359.09238	5.5
361.06924	2.2
361.10757	13.2
363.08575	57.1
363.13068	2.9
364.08649	1.5
371.09103	2.8
373.10690	9.1
375.08618	31.6
376.09308	2.0
377.05994	1.9
377.10266	20.1
381.09732	16.6
383.09241	2.1
387.08551	15.3
387.12698	2.2
389.10287	5.5
391.11795	13.6
393.09662	5.0
399.08612	6.1
401.10156	8.0
403.12137	1.8
405.09650	52.6
411.08395	2.2
415.11798	3.0
417.09705	25.0
419.11209	2.4
429.09604	20.9
435.10748	39.2
441.09561	2.8
443.11084	2.8
447.10785	23.1
453.11829	40.2
459.10553	2.3
465.11697	31.3
471.11795	7.0
483.12866	79.5
489.11877	5.2
501.13947	14.9
507.12863	26.0
519.12592	3.4
525.13934	20.2
531.12714	5.9
537.13947	14.0
549.13940	20.4
555.14935	5.5
567.14880	26.7
585.15979	22.0
603.16901	6.0
621.19171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
54.11197	1.2
55.01868	15.9
55.05516	10.1
57.03428	5.5
57.07069	1.9
65.03925	1.8
67.05505	42.3
69.03429	38.5
69.07069	6.7
70.84413	3.2
71.04994	12.0
73.02925	8.0
78.97338	1.2
79.05489	28.0
81.03421	38.0
81.03862	1.3
81.07056	44.7
83.04949	3.0
83.08603	5.6
85.02898	17.0
91.05482	13.9
93.07041	28.1
95.04946	7.6
95.08607	35.2
97.02895	36.9
97.06532	1.4
97.10155	2.5
99.04453	62.2
99.14310	1.4
101.02377	3.0
105.07008	11.5
107.08592	18.4
109.02879	38.1
109.06583	1.4
109.10156	20.8
111.04427	8.8
117.07010	5.1
119.08573	7.3
121.10152	19.1
123.08095	1.9
123.11700	10.0
124.34521	1.3
125.09705	1.4
127.03916	100.0
129.05476	3.0
131.08569	9.4
133.10092	7.2
135.11662	14.8
137.13251	4.3
145.04965	18.8
145.10118	5.4
147.11699	6.4
149.13246	8.2
150.91920	1.5
159.07733	1.3
159.11682	5.2
161.13342	7.2
163.14815	2.6
173.13229	7.0
175.14844	2.0
177.12852	2.1
177.16324	2.8
185.13226	1.6
187.14819	3.5
216.28384	1.4
241.19522	2.9
243.21118	4.4
259.20602	6.0
261.22165	22.8
277.21619	8.6
279.23285	4.9
315.23309	2.4
329.24783	1.4
341.24628	2.0
351.23248	2.7
357.24185	3.3
369.24347	5.0
387.25275	4.8
392.21286	1.3
405.26263	8.2
423.27417	30.4
424.27484	2.0
573.66296	1.3
627.91589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59147	0.8
52.00151	1.0
53.03951	6.4
53.90117	0.9
54.21139	1.0
55.01869	9.1
55.05500	3.8
57.03431	13.3
60.04504	1.2
61.02914	7.3
63.83183	1.0
65.03922	1.4
67.05498	3.2
68.99791	4.2
69.03427	75.0
69.07048	1.8
70.28634	2.2
70.29031	2.3
71.01358	1.8
71.04996	6.6
73.02903	8.1
73.57554	1.0
75.04471	1.1
79.05487	2.8
81.03415	34.3
81.07047	4.1
83.01332	1.4
83.04984	7.3
85.02904	95.4
85.06523	2.1
87.00826	42.9
87.04463	14.0
91.03938	1.7
91.05479	5.0
93.07045	4.8
95.04969	3.6
95.08614	2.4
95.37466	1.1
97.02887	100.0
97.06536	3.1
98.21449	1.4
99.04446	20.7
101.02374	1.9
103.03925	2.1
105.01864	71.7
105.07040	3.3
107.04961	4.0
108.59440	1.4
109.02876	35.9
109.06518	2.5
109.10187	1.7
111.04453	8.8
115.03926	21.5
117.01850	3.8
119.08558	1.6
121.02862	17.6
121.06499	2.5
121.10216	1.1
123.02915	1.5
123.04420	2.9
125.02387	1.4
127.03914	91.1
129.01852	2.9
129.05461	3.9
131.04866	1.1
133.04993	8.8
135.04466	1.6
135.08101	1.4
137.06000	2.0
139.03914	12.7
145.04958	47.6
147.02844	2.3
147.04317	1.5
149.05981	2.1
150.07599	6.5
151.03920	3.1
151.07559	1.7
153.05547	1.2
153.09052	1.6
159.02882	15.7
163.03969	1.5
165.05469	1.3
165.09132	3.4
167.07040	1.4
169.08676	1.0
173.09700	1.1
175.07523	1.2
176.04538	4.3
177.04076	1.7
177.05446	5.1
181.04874	1.4
181.08566	2.1
183.02849	1.3
187.07492	2.1
189.03940	3.7
193.08636	3.3
199.09624	1.7
201.03960	2.0
205.04970	2.8
205.08624	3.0
208.07162	3.8
211.09705	3.2
213.03944	7.5
215.05431	1.3
217.10695	1.5
223.05977	3.4
226.47952	1.1
231.04980	28.7
241.07037	6.8
249.06018	10.6
290.91403	1.1
301.09241	1.6
309.05826	2.0
315.10672	7.0
327.07034	8.7
345.08121	9.8
363.09119	1.4
406.74200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.01865	3.4
55.05505	2.1
57.03433	2.6
61.02923	2.6
67.05492	1.7
68.99786	2.0
69.03432	12.5
70.06593	2.3
71.05003	1.5
71.11100	3.4
73.02906	2.7
78.04710	1.6
79.05493	11.2
81.03412	14.2
81.07036	3.0
85.02905	17.7
86.09661	1.1
87.00824	7.3
88.32839	1.1
89.30145	1.1
89.91924	1.0
91.05498	6.8
93.03408	1.2
93.07073	2.5
95.04951	5.0
95.08634	2.0
97.02883	7.7
99.04467	4.6
99.05444	1.3
103.05456	3.7
104.06243	1.4
105.01866	2.9
105.07021	10.1
106.04164	1.4
107.04942	18.2
109.02871	10.0
109.10169	1.3
115.05444	7.3
117.07056	3.0
118.04150	1.9
119.08578	4.4
119.35064	1.1
121.06578	1.5
121.10131	1.8
122.03680	1.5
123.04459	7.6
124.05228	3.7
125.05993	2.6
127.03923	14.3
128.06216	3.4
129.01817	1.2
129.06996	3.9
131.04912	4.7
131.08554	1.1
132.05710	3.1
133.06464	6.8
135.04362	2.2
137.05971	4.0
141.07025	1.6
144.05650	1.1
145.04948	3.6
145.06493	1.4
147.04376	2.5
147.08055	6.7
149.05989	1.3
151.03896	3.3
152.04631	1.4
153.05501	1.1
158.07364	1.1
159.02884	3.5
159.08078	4.2
160.05144	3.5
161.06007	9.4
163.03847	1.6
165.05475	2.4
167.07042	100.0
168.05727	1.2
169.06534	3.0
171.08084	2.4
175.07545	54.2
176.04677	3.2
179.06995	2.3
184.05185	3.3
186.06773	1.8
187.07562	9.6
189.05493	2.4
189.07135	1.7
189.09081	2.8
190.07784	3.4
191.07021	13.3
191.08563	1.9
193.08601	25.5
193.10298	2.0
199.07550	18.7
201.07269	1.0
201.09087	5.8
202.07657	1.3
203.08586	2.9
205.10164	1.7
206.07259	1.7
207.04747	1.6
215.08521	3.7
217.08571	1.4
218.07272	7.7
219.08093	3.2
229.06544	2.5
231.04979	1.7
231.08009	3.4
232.08775	4.3
233.09613	8.6
234.06874	2.3
235.07515	5.3
243.08029	1.8
244.08856	1.1
245.06056	1.5
246.06737	4.2
247.07593	2.4
248.08267	2.1
249.09169	4.0
250.09924	2.7
251.07059	1.3
257.05939	1.7
259.07510	2.4
260.08292	2.8
261.09100	12.5
262.09842	2.8
263.07056	4.6
265.12204	1.6
274.06268	2.8
275.07065	2.7
275.10562	1.5
276.07690	2.0
277.08514	3.4
278.09387	4.9
281.11615	3.3
288.07559	1.5
289.08609	11.1
290.09372	2.6
291.06488	2.4
291.09967	1.9
293.08398	1.3
293.11777	5.1
295.06226	1.7
295.09622	2.3
305.08313	1.8
306.08801	4.9
307.09659	4.0
309.11133	2.9
321.11203	23.7
322.11981	2.9
323.09106	3.8
323.12534	1.2
325.14355	2.8
338.11526	3.8
341.13794	11.6
347.21960	1.2
353.13837	48.0
355.15302	4.5
371.06149	1.3
371.11209	3.8
489.92221	1.2
619.26483	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	618.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01862	2.9
55.05503	6.7
55.85935	0.9
56.05032	1.3
57.03416	1.8
57.07071	2.6
58.99582	2.3
64.43899	1.0
67.05503	12.9
69.03425	3.2
69.07078	5.6
70.02953	2.8
71.04996	2.0
71.08630	6.4
71.59363	1.0
72.08157	2.7
74.00658	1.9
74.23952	1.0
76.00639	1.0
76.02225	3.8
76.04005	1.6
79.05483	9.2
80.05009	2.2
81.03419	9.6
81.07053	9.4
83.04980	2.4
83.06129	1.4
83.08617	2.1
84.04507	7.7
85.01122	1.7
85.02892	2.1
85.06544	1.9
86.06065	1.4
86.99065	1.5
91.05476	7.1
93.07033	8.2
94.06603	2.3
95.04964	11.1
95.08611	8.9
96.04485	1.2
97.01117	2.8
97.06534	1.9
99.04493	1.3
99.05542	1.5
99.08099	5.7
102.05613	0.9
105.07017	6.0
106.06561	1.3
107.04968	2.5
107.08587	4.6
109.10139	5.1
111.02663	2.6
112.02190	1.8
113.00597	2.8
116.01680	6.8
117.07034	3.8
118.06530	1.1
119.08575	4.9
121.06539	1.5
121.10147	3.1
123.02591	1.3
123.04404	1.3
123.08077	1.9
125.04237	1.0
126.03741	3.7
127.03845	1.3
129.06650	2.1
130.04979	3.3
131.08655	2.0
133.06505	3.9
133.10146	2.7
135.02901	0.9
135.08061	1.7
136.01030	0.9
136.02243	1.2
137.09610	4.5
137.58084	1.0
138.03740	1.1
139.02110	2.8
144.01089	1.2
145.06068	7.6
145.10100	2.4
149.04271	1.3
149.09581	2.4
150.12787	2.1
151.03903	10.0
151.11179	43.9
153.06569	2.0
153.12753	1.2
155.10661	1.2
157.10173	1.6
159.11719	2.9
160.98363	0.9
161.05965	1.0
161.09647	1.3
162.02156	2.1
163.11211	1.3
164.05348	1.3
165.09106	1.4
165.12778	1.0
167.07104	1.2
167.08817	1.4
170.00761	1.0
177.12764	5.4
179.04900	1.3
185.03796	5.5
187.11104	1.2
188.14424	1.4
195.08386	2.5
196.11516	6.8
199.07144	2.1
207.10721	1.0
208.11563	2.8
224.10997	1.2
231.04324	7.6
245.78645	1.1
247.20639	1.7
254.12141	2.6
257.19080	1.5
275.20096	4.3
292.22604	2.1
293.21094	37.9
294.21533	2.1
306.18912	1.2
307.17230	2.2
311.14243	1.0
323.20425	1.6
324.19922	2.8
325.18405	1.0
332.20392	3.8
333.18781	5.6
350.21460	18.1
351.19818	8.5
357.14816	2.3
368.22556	6.0
369.20743	2.4
378.20877	1.4
399.09235	2.5
407.23636	4.1
435.23013	3.7
453.24185	100.0
454.24286	4.3
471.25302	22.2
478.21979	1.2
484.84531	1.1
525.26141	4.0
543.27393	7.2
565.42865	1.3
600.29883	3.0
618.30273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86069	0.1
55.01622	0.2
55.01867	2.1
55.03038	0.1
58.61926	0.2
65.64953	0.1
67.05495	0.2
69.07069	1.4
69.45588	1.5
69.77370	0.2
70.06578	0.5
70.62521	0.2
73.02900	0.3
85.02888	0.2
87.52282	0.1
94.06577	0.2
95.90851	0.1
96.04475	0.2
97.06504	0.2
108.04446	0.6
112.07603	0.4
118.06557	0.2
121.06491	0.2
122.06035	0.4
123.04465	0.2
134.47621	0.2
140.07085	2.3
140.43237	0.2
141.05455	0.2
146.05995	0.5
147.06674	0.2
148.07571	2.9
160.07590	0.3
168.06563	2.5
170.09680	0.4
173.07112	0.2
174.05568	0.8
174.09171	0.3
182.08241	0.2
198.09109	0.7
199.08640	2.7
199.12193	0.2
200.07333	0.2
200.10754	0.2
202.08655	0.2
203.09444	0.6
210.09285	0.2
212.09450	0.5
213.10246	0.7
214.11075	0.5
215.11848	1.1
224.10692	0.6
225.10201	3.1
226.08774	1.0
227.08263	1.5
227.11778	2.1
238.08650	0.2
240.08936	0.3
241.09717	0.7
241.13330	0.6
242.10423	0.8
243.11287	1.6
251.11746	0.3
252.10210	0.7
254.11673	0.2
255.11279	13.6
256.11685	0.3
269.12823	4.2
269.15564	0.3
270.11221	0.2
271.14221	0.3
279.11304	0.3
287.13892	0.8
297.12314	5.3
315.13364	100.0
316.13724	1.6
336.08899	0.2
418.38504	0.2
456.21359	1.3
581.13971	0.2
618.25934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01633	0.1
55.01870	1.9
69.03445	0.1
69.07056	1.3
69.79317	0.7
70.06579	0.3
70.54870	0.1
73.02919	0.2
76.87074	0.1
81.03392	0.2
91.05466	0.2
94.06561	0.4
95.04968	0.2
96.04486	0.3
97.02885	0.2
97.06504	0.3
98.21503	0.2
108.04475	0.5
109.01962	0.2
112.07610	0.4
120.08047	0.2
121.06543	0.2
122.06033	0.7
123.04401	0.2
140.07068	3.2
146.06047	0.2
147.06747	0.2
148.07574	3.5
150.05435	0.2
160.07568	0.4
167.07062	0.1
168.06551	2.5
169.44867	0.1
170.09634	0.3
170.90097	0.2
174.05511	0.7
174.09169	0.3
182.08498	0.2
185.10649	0.2
196.11325	0.2
198.09213	0.7
199.08652	3.4
200.09320	0.2
202.08501	0.1
203.09413	0.4
210.09216	0.3
212.09479	0.6
213.10258	1.1
214.10992	0.5
215.11790	1.0
224.10677	0.4
225.10181	3.2
226.08704	1.0
226.12477	0.2
227.08154	1.6
227.11723	1.8
238.08601	0.4
240.08965	0.2
241.09763	0.8
241.13295	0.8
242.10538	0.8
242.78331	0.2
243.11342	1.5
251.11736	0.2
252.10211	0.6
253.09732	0.2
254.11739	0.1
255.11278	13.4
256.11621	0.2
269.12839	3.8
270.11227	0.3
273.25681	0.2
279.11224	0.2
287.13962	1.0
297.12317	5.4
313.11996	0.2
315.13364	100.0
316.13733	1.6
427.17859	0.2
438.20508	0.2
456.21283	1.2
600.25635	0.3
618.26160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.5
53.03931	1.8
55.01874	2.3
63.21640	1.3
67.05501	2.0
68.99804	7.1
69.00115	1.7
69.03423	1.7
70.06557	1.5
70.84358	1.2
71.58604	2.3
81.03403	4.5
85.02922	2.0
91.05499	2.8
95.04976	3.4
99.04453	2.5
105.06966	1.5
107.04940	6.0
109.02866	4.1
111.00790	1.8
111.04427	5.8
113.65248	1.6
115.05511	2.0
119.04927	9.2
121.02935	2.1
122.06007	3.3
123.04428	72.0
127.03917	100.0
131.04900	3.4
135.03403	2.3
135.04416	37.7
137.02380	3.5
139.03903	50.8
146.06104	1.9
147.04417	23.4
148.07516	3.2
149.02357	5.6
149.05997	2.8
150.03091	2.4
151.03883	16.3
155.04973	1.6
157.06487	2.6
159.04448	2.6
161.06012	4.5
162.05481	5.6
163.03903	43.1
164.07048	2.2
165.05496	12.2
166.04927	1.7
167.03404	9.0
168.06636	1.7
169.06419	1.8
173.05966	4.2
174.05557	4.3
175.03914	6.6
175.07455	2.1
176.04553	4.8
177.05472	3.5
178.05025	2.3
179.03392	3.5
179.06934	1.8
181.04874	1.8
187.03949	7.0
187.07591	2.2
189.05417	2.2
191.03404	8.0
193.05008	2.4
197.06020	3.4
201.05484	6.3
202.05002	4.5
203.03416	5.5
205.04987	2.6
208.07182	6.6
213.05478	3.5
215.03455	3.5
215.06987	3.4
216.06682	2.1
229.05013	7.8
231.06595	2.1
233.04466	3.1
241.05014	2.4
243.06616	2.4
245.04451	10.8
247.06024	23.3
257.04474	16.5
258.05029	2.7
259.06149	8.1
263.43179	1.6
269.04449	7.0
271.06009	18.0
273.02835	2.0
275.05496	7.9
281.04474	3.4
282.07666	2.0
283.06021	8.4
285.04083	2.0
286.07141	5.9
287.05548	11.5
289.07175	11.3
291.08643	8.4
296.05438	4.2
297.04025	2.2
299.05435	5.3
301.07065	4.0
310.07156	4.6
314.06482	4.0
326.06555	5.6
328.08209	5.1
330.09744	6.1
338.06412	2.8
340.08206	4.4
391.07916	2.0
409.09183	7.0
425.08652	1.6
448.10297	20.1
456.21310	3.4
460.10507	2.2
466.11179	6.7
471.73227	1.5
471.82086	1.8
474.11807	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.96291	1.3
56.96564	22.6
61.55975	0.6
67.05499	2.2
69.07053	1.1
69.40293	6.5
71.95261	1.0
78.43430	0.6
79.05495	1.5
81.03423	1.4
81.07062	2.4
84.96035	16.4
91.05458	1.6
93.07052	2.1
95.08595	1.9
98.97572	9.8
101.49459	0.6
102.97067	4.3
105.07034	1.8
107.04938	0.9
107.08599	1.6
109.10155	0.9
112.99124	0.8
116.98616	8.9
119.08569	1.3
120.98115	1.2
121.10126	0.9
123.08060	0.7
128.98576	3.2
131.00197	2.1
131.08559	1.0
133.10110	1.2
134.99663	7.0
140.98660	0.9
143.00142	5.6
144.98065	2.0
145.10143	1.3
146.99632	5.1
149.01228	4.5
151.07674	0.6
153.00728	1.3
155.00166	1.9
157.01726	1.3
157.10066	0.8
158.99693	3.2
159.11667	0.9
161.01221	20.6
162.99133	6.5
165.00717	2.1
167.02339	3.0
173.01230	5.4
174.59088	0.6
175.02715	1.2
177.00691	2.4
179.02267	5.6
180.94746	0.8
181.00273	1.6
182.99684	2.8
184.02953	0.7
190.95390	2.8
191.02304	2.5
198.95827	5.8
201.00687	11.6
203.02304	0.8
216.96971	2.1
219.01744	4.1
221.97615	0.9
224.02292	0.9
224.97559	1.1
228.96844	0.8
240.96889	5.5
242.98538	2.0
246.95905	2.6
246.98032	1.7
254.98479	1.5
258.98071	2.0
264.96881	8.6
282.97946	16.4
287.98547	2.0
296.99731	1.0
300.99008	13.9
305.99573	2.4
317.17865	18.9
317.21332	1.3
324.00555	1.3
335.18878	11.8
357.01776	2.8
358.20547	2.8
375.02765	4.3
391.21552	3.2
398.04059	1.1
515.20435	0.8
557.20966	1.6
581.20673	0.8
599.21594	3.2
617.23004	100.0
618.23395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01873	4.0
55.05510	6.0
58.99586	2.5
65.03963	1.0
67.05510	9.3
68.01569	1.0
69.03427	1.9
69.07066	13.7
70.02964	1.5
70.06577	1.2
71.04983	0.9
74.00661	1.4
76.02236	2.4
76.04010	1.4
79.05498	12.1
80.05017	2.6
81.03420	11.6
81.07058	10.6
83.04980	3.4
83.06107	2.1
83.08620	1.1
84.04497	9.2
84.62370	1.0
85.01142	1.7
85.02911	1.4
85.06566	0.8
86.00647	1.4
86.06062	2.3
86.99048	0.9
87.04469	1.4
89.57497	0.8
91.05482	10.9
93.07041	10.4
94.06590	1.1
95.04979	4.2
95.08609	8.2
97.01096	4.9
97.02888	1.1
97.06544	2.7
98.06047	2.9
99.02694	1.0
99.05584	1.5
105.07035	9.8
106.06548	1.7
107.04960	23.6
107.08591	8.4
108.08121	1.3
109.02863	1.0
109.06561	1.3
109.10174	4.2
110.06029	1.4
111.02650	2.3
112.02224	2.5
113.00598	3.7
113.04240	1.3
115.03944	1.0
115.85170	1.1
116.01675	4.5
117.07030	3.5
119.08566	8.3
120.08077	0.9
121.06487	2.1
121.10164	3.1
123.04501	0.9
125.04207	1.0
125.09618	1.3
126.03742	2.5
129.06664	2.7
130.05034	2.5
131.08571	6.1
133.06525	1.7
133.10120	3.7
135.05574	1.0
135.08044	3.4
135.11682	1.3
136.02142	1.1
136.03964	1.2
137.09569	2.1
138.03749	1.8
139.02156	1.2
139.03227	1.0
141.07335	1.1
143.08514	1.4
144.01141	1.6
145.06053	6.0
145.10158	4.0
147.04440	1.7
147.08046	1.4
147.11632	1.6
148.11205	1.4
149.09613	17.5
150.03712	1.1
151.02214	1.1
151.05745	1.5
152.05243	1.1
152.14291	2.1
153.01811	1.8
153.06570	2.3
153.12720	0.9
157.10118	2.1
158.09773	1.0
159.11726	1.9
160.11234	1.8
161.09654	2.4
162.02237	2.6
165.09174	0.9
167.08643	0.9
169.06863	1.3
171.11717	1.2
174.12877	1.2
175.07494	0.8
175.11194	2.2
179.04875	1.4
179.09030	0.9
181.06181	1.6
185.03873	3.7
185.13388	0.9
186.06526	1.1
187.11224	1.4
193.06860	1.6
193.12263	1.0
194.09991	3.7
196.17035	1.3
199.07169	1.8
203.07033	6.6
205.09221	1.2
221.11763	1.2
231.04356	7.8
235.13327	1.2
239.04829	3.2
240.10684	1.0
241.06445	1.1
251.10942	1.1
252.18991	0.9
254.12064	2.9
260.16364	1.0
262.12726	1.4
266.12027	1.1
273.18564	3.2
278.12112	0.9
280.13733	3.0
290.20999	1.8
291.19513	30.9
304.17255	1.1
305.15656	2.4
311.14288	1.1
322.18295	6.1
323.12799	4.6
323.16461	1.8
330.18765	1.3
331.17227	4.0
348.19916	11.3
349.18423	4.8
357.14636	2.1
366.20990	6.0
367.19485	5.3
376.19724	1.3
405.21960	2.7
433.21512	3.2
451.22617	100.0
452.22900	1.2
469.23706	32.2
505.24075	1.2
507.41666	1.1
523.24591	3.1
541.25745	8.6
572.19159	1.5
572.34186	3.5
598.27545	1.6
598.35962	6.1
616.20667	1.2
616.29303	2.0
624.89545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
52.36823	0.6
53.03936	1.8
55.01871	3.3
55.05513	9.9
57.03437	21.4
59.04998	3.9
59.99104	6.3
61.02939	4.9
61.04034	1.1
69.03429	75.0
70.04082	1.3
70.84667	1.4
71.01349	0.7
71.04992	1.0
72.08152	6.8
73.02910	3.4
73.06557	52.2
75.04480	2.8
79.05499	3.9
81.03429	4.3
83.05000	4.7
85.02905	63.9
85.03985	1.6
85.07658	3.9
86.06060	5.8
87.04467	43.2
91.03959	2.4
95.04963	3.2
97.02891	57.3
99.04459	4.0
101.02348	3.2
102.03768	1.4
102.99651	0.7
103.03948	2.4
105.47157	0.7
106.06554	100.0
107.06876	0.7
109.02874	1.9
111.04441	2.9
115.03931	65.6
115.08667	5.9
116.07079	1.3
123.04428	1.2
127.03928	7.1
127.08709	1.1
129.05505	2.7
132.04788	52.6
133.04967	79.7
134.06020	17.0
135.34377	0.7
139.03851	1.4
141.06607	1.6
142.07848	0.7
145.05077	7.6
147.06525	0.7
149.04437	1.6
157.13356	18.5
159.76979	0.7
163.06042	1.6
169.04985	1.3
175.05321	6.2
191.11789	12.6
193.04723	0.9
208.05380	4.2
212.57159	0.6
217.10057	59.7
223.06131	1.1
241.07068	1.8
250.10065	3.9
259.08112	4.1
264.09027	2.5
277.09000	2.9
280.11154	4.4
289.17453	0.8
294.09943	0.8
295.10211	2.6
307.09659	1.0
319.18771	1.2
322.15729	1.5
349.14313	2.2
379.15317	9.8
451.22833	3.1
484.20758	1.6
485.98828	0.7
511.19534	7.2
616.25452	6.4
616.34967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05505	27.3
57.03432	7.5
57.07066	7.9
58.26601	5.6
66.83057	5.1
67.05507	82.3
69.07072	26.0
71.08618	5.1
71.59536	6.2
79.05485	42.3
81.07059	79.8
83.08627	13.1
91.05462	37.4
93.07047	63.3
95.04968	5.5
95.08613	56.2
102.06787	5.4
105.04439	4.5
105.07039	35.0
107.08593	37.9
109.06462	6.2
109.10156	36.3
111.08143	5.1
117.06981	7.4
119.08585	31.2
121.10138	32.1
121.68237	4.9
123.11681	15.6
129.06984	5.8
131.08594	36.2
133.10133	26.8
135.11708	21.9
143.08542	10.7
145.10136	23.6
147.11674	19.7
149.13268	10.5
154.80624	5.7
157.10120	14.0
159.11684	18.4
161.13248	15.9
165.86050	5.4
169.10123	6.0
171.11784	7.3
173.13245	13.8
175.14815	8.1
179.14384	9.6
185.13341	10.0
187.14836	9.0
199.14842	7.4
219.71550	5.5
227.51740	6.0
259.20554	11.0
261.22205	12.1
273.22052	6.9
277.21512	8.9
285.21985	6.2
335.25723	14.4
337.27283	12.6
593.28333	6.8
595.47058	7.6
613.48364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07437	2.0
53.03947	3.5
55.01865	6.8
55.05502	8.6
57.03436	5.2
57.07073	12.2
59.04979	3.8
61.02924	2.9
69.03426	33.7
69.07066	49.0
69.45452	15.7
69.45869	4.1
71.04995	6.5
71.08624	6.4
73.02917	6.1
73.06567	12.9
79.05505	2.8
81.03417	20.6
83.04973	3.3
83.08637	2.3
85.02906	54.8
85.10168	6.0
87.00819	22.5
87.04467	5.8
89.06034	24.4
91.05479	2.5
94.91456	2.0
97.02287	3.5
97.02888	43.0
97.06528	2.4
99.04452	8.1
105.01861	36.2
105.07038	3.0
109.02879	17.2
109.10159	4.4
111.04443	2.8
111.11716	77.0
115.03923	7.0
127.03913	39.8
129.12755	100.0
133.04979	3.0
133.06561	2.4
139.04031	2.4
145.04938	19.6
150.07622	2.3
159.02924	5.2
165.09157	3.3
199.16927	19.0
213.03995	4.4
217.18005	29.3
231.04964	13.8
249.06036	6.9
394.33395	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02381	1.3
52.01085	1.3
53.03945	3.7
55.05507	14.8
56.99617	1.4
57.03432	5.0
57.07068	4.2
65.03951	2.9
67.05504	45.5
69.07069	15.6
70.89227	4.0
71.08634	1.6
79.05489	23.5
81.07057	51.7
83.08618	9.5
85.06538	2.0
91.05487	21.2
91.45538	1.3
93.07042	30.6
95.04943	4.3
95.08603	45.8
97.06535	2.8
97.10168	5.5
99.11407	1.5
101.07294	1.5
105.07026	20.6
107.08601	21.0
109.10155	24.6
117.07011	9.1
119.08585	22.7
120.80298	1.4
121.10148	17.4
123.11723	8.9
129.06979	4.3
131.08568	16.7
133.10124	16.9
135.11678	14.9
137.13283	4.4
143.08612	6.5
145.10118	13.4
147.11685	14.2
149.13297	8.4
157.10152	6.8
159.11703	12.3
161.13223	10.1
163.14838	3.6
171.11726	7.3
173.13263	10.4
175.14864	5.9
177.16373	1.8
185.13263	4.2
187.14836	8.3
189.16438	2.6
191.18060	2.0
199.14914	3.7
201.16400	3.8
213.16475	1.9
217.19460	1.8
231.21106	2.1
241.19513	3.5
243.21109	2.7
259.20523	10.4
261.22153	13.1
263.23770	1.7
275.23700	1.5
277.21585	1.9
285.22125	1.9
306.50629	1.7
309.24387	1.9
313.25388	1.7
315.47037	1.7
317.24777	3.6
333.24173	7.0
335.25800	18.6
337.27347	10.4
347.25702	2.0
355.30093	3.3
369.31693	1.9
393.03693	1.7
489.36017	2.5
515.37714	1.9
521.43713	5.5
529.39026	2.0
539.44421	3.2
543.40222	2.0
595.47125	13.5
613.48199	100.0
614.48431	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
54.04552	3.3
55.05512	27.6
57.03430	8.9
57.07073	6.4
67.05502	60.0
69.07066	28.2
69.32786	17.2
69.33215	21.7
79.05490	48.3
81.07052	57.8
83.08610	11.3
88.25765	3.5
91.05486	41.3
93.07052	46.6
95.04957	8.9
95.08616	39.5
105.07034	41.5
107.08595	27.1
109.10149	17.0
111.08102	5.0
114.32693	3.6
117.07032	12.5
119.08574	36.7
121.10159	22.1
123.11684	5.4
129.07002	9.8
131.08574	30.7
133.10106	30.6
135.11725	6.1
143.08592	13.7
145.10132	24.2
147.11653	17.8
149.13260	9.1
155.08577	7.0
157.10129	15.0
159.11711	19.8
161.13301	9.5
163.14897	4.5
169.10135	7.7
171.11667	11.8
173.13269	14.3
175.14845	8.1
181.29718	3.4
183.11760	10.1
185.13301	14.2
187.14891	7.4
189.16447	3.9
199.14848	10.5
229.19698	4.2
241.19476	11.5
259.20587	14.9
261.22141	5.4
265.29880	4.2
333.24268	11.3
335.25888	18.7
438.20435	5.0
519.42114	8.1
537.42310	4.6
593.45685	8.2
611.46674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05511	22.5
57.03444	2.5
57.07084	6.2
62.58760	2.0
67.05508	35.7
67.61164	2.0
69.03417	2.3
69.07067	15.5
71.05006	4.7
71.08612	3.0
71.60094	2.9
74.81690	2.0
79.05497	17.4
81.03434	5.1
81.07050	31.7
81.07461	2.8
83.04995	2.3
83.08608	11.7
85.06543	2.9
91.05480	17.0
93.07043	24.4
95.04987	4.0
95.08594	32.3
97.10202	7.9
104.86221	2.0
105.07018	20.6
107.08580	13.6
108.41165	2.2
109.06556	2.4
109.10164	17.5
117.07023	12.1
119.08601	15.7
121.10188	7.4
125.09682	2.6
126.94954	2.5
128.06253	3.5
129.07001	13.7
131.08568	22.7
131.21054	2.6
133.10159	12.8
135.11714	3.2
141.07042	2.4
143.08562	16.7
143.96797	2.2
145.10129	20.8
147.11740	6.0
149.13277	3.3
155.08598	9.7
157.10162	15.4
159.11697	16.0
160.77763	2.1
161.13307	5.0
167.08621	3.9
169.10062	14.4
171.11684	12.9
173.11943	2.2
173.13339	7.1
175.14874	2.9
181.10190	6.9
183.11711	13.2
185.13312	12.2
187.14868	6.2
189.16475	2.1
195.11775	5.3
197.13316	9.5
199.14893	5.6
202.43105	2.0
209.13399	6.4
211.14883	4.0
213.16464	6.0
215.18039	5.8
223.14896	3.8
225.16493	5.1
227.18071	5.2
229.19530	2.2
237.16568	2.9
239.18002	3.9
241.19678	3.9
250.13995	3.0
250.16664	1.9
253.19684	2.9
265.19690	3.0
267.20908	2.2
295.24475	2.3
381.31711	3.2
395.33438	2.5
501.41080	4.9
519.42004	18.0
537.43213	11.8
544.23956	2.2
575.44995	3.1
593.45453	15.5
611.46887	100.0
612.47375	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	611.1604
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
54.07676	0.6
55.01855	0.8
57.03430	1.0
61.02906	0.7
61.73170	0.6
61.81964	0.7
67.05497	1.4
69.03422	3.6
69.57833	5.1
70.06577	1.3
73.12135	0.6
79.01839	1.3
79.05485	1.6
81.03400	2.6
81.07021	1.9
84.04497	0.7
85.02901	9.7
91.05408	0.9
93.07063	1.2
95.04955	0.8
97.02878	2.9
97.06542	0.8
98.20761	1.1
101.01989	0.6
101.23761	0.7
102.29827	0.7
105.07021	0.9
107.08565	0.8
109.02879	2.1
109.10172	1.3
119.04934	0.7
121.02860	0.6
121.10143	0.9
123.04406	2.7
123.97126	0.7
127.03896	3.3
135.04382	2.2
137.02341	7.3
137.05989	2.9
145.04906	0.7
149.02298	0.8
151.03943	0.7
153.01843	1.0
159.11725	0.9
163.03885	1.6
163.07530	0.8
165.01825	1.6
165.05377	0.7
175.03819	0.7
177.01929	1.0
179.03412	0.7
181.04967	0.8
183.02904	2.2
191.03386	1.0
195.02884	2.5
205.05119	0.7
217.05006	1.5
229.04961	0.9
243.06541	1.0
259.06030	2.0
261.03851	2.0
271.06125	2.5
272.06741	4.4
283.06088	1.3
286.04691	1.6
287.05457	18.7
299.05490	31.5
300.06253	22.3
301.06979	2.2
311.05472	13.4
313.07077	7.8
314.04150	0.7
317.06390	0.9
323.05624	1.2
324.06357	1.7
325.06900	4.2
327.04977	2.2
329.06543	100.0
330.06818	1.9
332.05142	1.1
339.05042	1.3
339.08566	6.2
341.06573	2.1
343.08054	1.6
353.06573	15.5
359.07516	2.8
367.08243	2.5
371.07486	1.2
383.07651	5.1
395.07458	3.2
413.08624	9.4
431.04388	1.0
431.09833	15.4
449.10806	36.7
450.10767	0.8
491.11801	5.6
611.15747	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	611.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
61.02919	1.8
67.05495	2.6
69.03447	6.8
70.68826	1.4
71.04992	2.5
71.59270	2.2
71.59653	1.4
73.12966	1.4
79.05500	2.4
81.03419	4.8
81.07050	3.0
85.02916	16.7
87.00816	4.8
91.03983	2.0
93.07051	1.8
95.04950	3.0
95.08607	2.2
97.02889	6.2
99.04424	2.3
103.05479	4.0
105.01875	4.8
105.07034	2.8
107.04944	6.9
109.02907	3.4
110.93624	1.4
116.03613	1.7
121.06533	2.8
122.03654	4.0
123.04420	4.0
127.03893	6.6
129.07059	1.9
131.04955	6.8
131.08528	1.9
133.06509	7.6
135.04468	7.8
135.08020	2.8
137.05981	60.7
145.05009	2.9
145.06538	4.5
147.08051	1.6
148.13351	1.4
151.07558	5.2
153.01842	19.6
161.05965	1.7
163.07552	16.0
174.06659	1.7
175.07581	2.5
187.07451	2.5
189.09093	2.0
192.67641	1.9
229.08618	2.2
249.11308	2.4
262.43152	1.6
270.08823	1.4
287.05505	100.0
288.05942	4.9
295.13306	6.7
297.03711	2.0
311.05521	1.8
327.15921	9.9
329.06339	2.6
358.69162	1.5
435.18454	2.1
449.10757	15.3
611.22766	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	611.1603
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
53.03927	0.6
55.01856	0.7
55.05516	0.6
57.03435	1.0
61.02920	0.9
64.92814	0.6
67.05486	1.7
69.03427	2.7
69.34566	4.7
69.34982	1.3
70.06586	0.8
73.02916	0.7
74.02446	0.6
79.01843	0.8
79.05503	0.7
81.03401	2.4
81.07048	1.4
85.02899	9.5
86.09660	0.5
87.04437	0.7
91.05453	1.0
93.07030	0.6
95.04956	1.2
95.08598	1.0
97.02879	3.8
99.04449	1.0
103.05438	0.7
103.71655	0.5
105.07014	1.0
107.04913	0.9
107.08592	0.6
109.02859	2.2
109.10065	0.6
111.04442	0.6
121.02784	0.7
123.04396	1.8
127.03908	3.4
131.04927	0.8
135.04431	1.6
135.08060	0.7
136.04996	0.5
137.02341	7.3
137.05978	2.6
145.04944	1.5
147.04407	0.7
149.13235	0.6
151.07524	0.7
153.00557	0.6
153.01727	1.4
154.82140	0.6
159.73164	0.6
161.02345	1.7
161.05992	1.0
163.03911	1.5
165.01851	1.1
171.02856	0.8
177.05396	0.8
181.04909	0.6
183.02869	1.5
191.03444	0.7
193.04849	0.6
195.02864	2.8
198.06718	0.6
199.94525	0.7
203.03282	0.9
213.05453	0.8
214.87004	0.6
217.04999	2.3
219.03194	0.6
227.07094	0.8
229.04913	1.3
231.06615	0.8
243.06628	1.0
244.07198	0.6
259.05978	2.9
261.03934	1.2
264.01074	0.6
271.06030	2.1
272.06796	4.2
283.05817	1.3
286.04691	0.9
287.05481	22.0
297.07651	0.7
299.05493	33.7
300.06287	21.4
301.07019	2.9
311.05511	11.9
313.07089	6.4
323.05496	1.9
324.06302	2.1
325.07086	4.0
327.04977	1.2
329.06531	100.0
330.06842	2.6
337.06686	0.6
339.04843	1.3
339.08600	8.4
341.06549	2.1
343.08139	0.8
353.06509	19.8
359.07565	2.6
365.06219	0.6
367.08047	2.1
371.07828	1.1
377.06339	0.8
383.07584	5.4
395.07547	4.5
413.08618	11.2
431.09729	19.4
432.09827	0.9
442.22781	0.6
449.10782	35.9
450.10812	1.3
491.11871	6.1
611.16003	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
53.03906	0.7
54.33896	0.6
57.03407	0.7
61.02878	1.3
63.45733	0.6
64.06522	0.6
65.64637	0.6
67.71502	0.5
68.99747	0.8
69.03427	3.9
70.71648	1.7
70.72000	0.6
78.37756	0.6
79.01812	1.3
81.03355	1.9
85.02899	12.8
90.12212	0.7
91.23289	0.6
97.02867	3.8
103.03995	0.6
109.02824	1.8
127.03875	2.3
129.99883	0.6
135.04347	2.3
137.01382	0.8
137.02333	9.8
145.04866	2.0
149.02223	0.8
152.08923	0.7
153.01805	0.9
159.71344	0.7
161.02325	1.6
165.01805	1.7
167.03302	1.7
167.55585	0.6
177.01845	1.3
179.03394	0.8
181.01236	0.8
183.02876	1.9
189.01840	0.8
189.05464	0.7
195.02847	4.1
205.04779	0.7
207.02785	0.6
217.04927	2.5
229.04872	1.3
243.02780	0.8
259.05994	2.3
261.03821	1.8
271.06036	2.1
272.06796	4.3
283.05859	1.6
286.04605	1.4
287.05484	33.7
297.07623	0.9
299.05475	43.1
300.06250	21.1
301.07013	2.2
311.01871	1.1
311.05496	20.8
312.05826	0.8
313.06995	7.0
323.05286	1.4
324.06351	1.5
325.06989	5.6
327.05096	1.9
329.06525	100.0
330.06793	2.9
337.06946	0.8
339.04889	1.6
339.08557	9.0
341.06357	3.1
341.49084	0.8
343.08063	1.1
351.04810	0.7
353.02179	1.2
353.06558	19.3
359.07526	3.1
365.06644	1.5
367.08185	3.7
371.07587	2.1
383.07651	5.8
395.07593	7.1
413.08646	15.2
431.09702	22.0
449.10779	83.1
450.10840	1.4
491.11816	5.3
611.16144	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	611.1599
Annotation	2'-Hydroxygenistein 7,4'-O-diglucoside
Peak:m/z	Relative Intensity
55.01880	0.8
55.05512	0.9
57.03432	1.0
61.02917	1.8
65.03934	0.7
69.03430	3.9
69.07059	0.8
69.95485	3.4
71.04988	1.7
72.00269	0.7
79.05496	1.0
81.03405	2.0
81.07025	0.9
85.02905	10.4
87.04476	1.1
97.02888	4.3
97.06538	4.7
99.04462	1.0
107.04942	0.9
109.02866	2.2
109.10196	0.9
111.04419	1.0
119.04936	2.0
121.02854	18.3
122.03209	0.8
123.11582	0.8
127.03905	2.8
135.04356	1.2
137.02324	2.3
137.05957	1.1
145.04968	1.5
153.01790	1.0
163.03929	1.1
165.01851	1.8
167.07155	0.9
177.01855	1.0
181.01353	2.0
183.02892	2.0
189.05327	0.8
195.02927	2.2
195.13795	1.8
199.02390	3.3
200.03087	0.8
203.03258	0.9
207.02956	1.4
211.02344	3.0
221.04482	1.5
225.02806	0.8
233.04616	1.1
255.06573	2.1
257.04483	1.0
265.29553	0.8
269.04385	1.3
269.17511	1.6
271.05923	2.0
272.06824	1.1
283.06067	3.7
286.04681	15.4
287.05460	29.4
287.18542	7.6
295.05963	1.7
299.05487	40.3
300.06210	14.0
301.06796	1.4
311.05508	12.3
313.07019	6.6
323.05606	1.2
324.06125	1.0
325.06976	4.4
329.06531	100.0
330.06900	2.2
337.06976	1.8
339.05057	1.5
339.08603	4.9
341.06424	1.7
349.07123	1.0
353.06570	19.2
359.07523	1.4
365.06470	4.2
367.07904	1.8
371.07648	1.4
383.07614	8.4
395.07605	5.8
413.08704	13.1
415.10559	0.9
431.09708	22.8
432.10263	0.9
433.11389	1.6
449.10779	46.3
450.11087	1.6
491.11859	5.6
509.36462	0.8
611.15289	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	611.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00117	1.8
58.58619	1.9
63.10023	1.6
65.03965	2.8
67.97625	1.8
68.99805	7.6
71.11093	3.7
71.11430	4.0
74.44830	2.0
75.37968	1.9
77.03939	2.2
79.05486	3.0
81.03416	3.0
83.04974	2.2
91.05508	3.6
95.04980	3.9
97.02875	2.3
98.21456	2.4
103.05446	2.6
105.03405	2.0
107.04953	6.1
109.02909	2.4
110.92075	2.3
111.00817	2.3
111.04456	7.4
115.05470	2.4
119.04950	5.9
121.02892	5.3
123.04434	100.0
124.05210	2.9
125.02403	2.6
127.03926	44.9
131.04951	2.9
134.03552	2.5
135.04428	34.0
137.02348	5.6
139.03905	50.6
141.01840	1.8
143.03424	4.0
145.06461	2.6
145.65514	1.7
147.04410	23.5
149.02356	6.9
149.05937	2.1
150.03159	4.7
151.03955	12.6
153.01805	2.9
155.03378	4.5
157.06578	3.0
161.06003	5.2
162.03114	3.5
162.94559	1.9
163.03922	38.8
164.04523	3.2
165.01875	3.0
165.05504	11.4
166.02585	2.3
167.03412	6.6
169.06529	2.7
173.06065	4.4
175.03905	4.4
176.04781	2.2
177.01836	4.3
177.05418	2.8
179.03329	11.2
185.05974	3.4
187.03860	5.5
187.31769	1.9
189.05563	3.7
191.03391	10.6
193.04988	4.5
197.05975	4.4
201.05440	9.2
203.03346	10.9
205.04996	4.1
213.05383	4.7
215.03435	3.1
215.07109	2.6
217.04997	5.0
219.02937	2.9
223.02417	8.8
225.05309	2.5
229.05016	11.0
231.02927	7.7
231.06725	2.2
233.04497	5.0
241.04883	4.0
241.88441	2.2
243.06551	4.4
245.04477	16.1
247.06000	22.1
257.04398	19.2
258.05151	3.0
259.02560	2.0
259.05978	7.8
260.06732	2.7
261.04013	6.0
263.05502	2.5
269.04480	3.9
270.05148	3.5
271.06036	33.6
273.03925	10.4
273.06967	2.0
275.05533	7.8
283.05966	4.0
285.03925	8.1
286.04703	3.6
287.05515	18.9
288.06262	8.1
289.03452	5.8
289.07077	9.8
290.04388	2.7
291.08710	5.2
299.05505	6.9
303.04984	4.4
311.05524	3.2
323.05322	2.0
338.66278	2.1
391.08130	7.5
407.07626	6.5
408.08340	5.2
409.09048	8.2
419.07660	2.8
423.07187	4.3
425.08893	5.9
427.10159	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	610.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60604	1.7
55.01868	3.9
55.05506	7.6
56.05025	2.6
57.03431	3.4
60.04531	49.1
63.20645	1.6
67.05505	14.9
69.03439	2.8
69.07065	11.0
71.04991	7.4
71.59320	2.4
71.94459	1.7
79.05487	8.4
81.03423	10.5
81.07066	16.4
83.08619	3.7
85.02915	5.1
85.06545	4.1
90.05573	3.1
91.05849	3.4
93.07049	10.2
94.06584	5.8
95.04980	5.9
95.08599	16.0
96.08183	2.2
97.06536	7.3
98.06028	3.4
99.08070	2.9
103.07133	2.0
105.07044	5.2
107.08599	1.8
109.10159	2.6
110.09685	2.0
111.08090	5.5
119.08577	2.8
122.09654	10.1
123.08073	19.7
128.10693	10.5
131.40941	1.6
139.71584	1.7
140.10707	72.1
141.09114	6.8
144.80595	1.7
157.10237	1.7
158.11794	12.2
176.12834	7.4
239.09546	3.0
246.07253	1.7
272.25830	4.3
291.10556	2.0
299.06244	1.9
355.07043	4.3
394.32941	5.0
412.34256	31.0
413.34677	2.5
430.35300	100.0
431.35706	6.6
448.36462	29.3
560.20306	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01881	7.7
55.05507	9.6
57.03432	17.2
59.33841	3.9
61.02930	8.0
67.05496	10.0
68.46147	4.0
69.03434	86.6
69.07064	11.2
69.47999	7.6
69.48404	28.2
70.06584	9.0
73.02926	7.0
79.05488	8.5
81.03416	28.2
81.07060	12.9
83.04986	11.3
83.08578	6.9
85.02903	100.0
87.00824	37.8
87.04480	19.9
91.05852	9.4
93.07053	19.6
95.04985	7.8
95.08600	33.0
97.02895	97.3
97.03518	6.7
97.10166	4.7
99.04469	10.3
105.01866	59.1
105.07047	6.4
107.04932	6.3
107.08604	46.5
109.02893	21.3
109.10168	13.8
111.04455	9.9
111.97359	3.9
115.03937	30.0
119.04937	4.5
119.08556	4.2
121.06604	7.5
121.10164	69.0
123.11681	5.4
127.03912	59.1
131.04900	4.4
133.04941	11.7
133.10147	6.2
135.11702	15.8
137.13275	10.3
139.03870	7.8
145.04961	25.2
150.07614	4.5
151.03947	5.9
159.02942	9.1
163.03886	19.4
167.06996	4.5
175.22037	3.9
177.05515	7.7
177.16399	92.5
181.04947	6.2
189.04016	5.0
195.17429	16.1
206.04572	4.2
213.03979	9.8
213.11241	5.2
223.06113	5.5
231.05055	17.2
241.07149	9.1
249.06042	7.1
302.07419	5.5
316.09067	6.0
327.07080	11.7
334.11282	5.1
345.08258	13.3
355.06760	4.8
360.93750	4.2
370.65518	4.1
611.22931	6.5
618.23956	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	610.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.2
55.01867	6.8
55.05500	8.4
57.03427	11.5
59.04998	3.5
61.02921	6.1
65.03945	2.4
67.05500	6.2
68.99776	4.5
69.03430	83.0
69.07069	9.9
70.04754	7.6
70.06590	3.9
71.04989	3.4
73.02911	5.9
79.05486	6.3
81.03420	28.7
81.07050	8.0
83.04987	11.8
83.08618	8.4
85.02904	86.9
87.00826	30.8
87.04460	10.5
91.05438	6.8
91.21777	2.6
93.07060	19.9
95.04955	5.5
95.08601	29.2
97.02289	5.1
97.02897	81.4
97.10146	2.6
99.04460	15.9
103.03905	3.9
103.05482	2.7
105.01864	61.8
105.07045	7.7
107.08599	35.5
109.02862	20.9
109.10144	10.2
111.04437	7.6
115.03937	33.4
119.08530	4.0
121.06493	2.8
121.10142	69.1
123.04439	4.3
123.11681	5.1
127.03914	49.0
129.01788	3.9
129.05455	5.2
133.04947	9.8
135.04478	3.1
135.11685	14.4
137.06026	2.7
137.13231	13.6
139.03893	7.2
145.04959	27.0
147.04420	3.6
149.13239	6.2
150.07629	10.2
151.03894	3.4
159.02913	7.4
163.03885	5.2
177.05470	7.4
177.16385	100.0
178.04987	2.5
183.02995	2.8
189.03960	4.5
195.17482	19.9
201.04004	2.8
205.04991	4.7
213.03931	5.1
213.11194	3.9
215.05499	5.6
231.05038	17.0
241.07094	7.8
249.06041	10.0
258.05209	3.1
273.05988	4.3
286.04666	3.0
297.03857	3.4
301.06885	4.6
302.07428	9.4
327.07245	12.1
345.08276	12.4
363.09247	3.2
401.42343	2.7
408.16022	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	610.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95194	1.1
53.80491	1.0
55.01857	2.3
55.05505	8.0
56.28047	1.0
57.03429	2.8
57.07066	3.1
67.05492	7.0
69.03423	17.9
69.07065	14.2
69.63720	8.8
71.04991	1.4
73.02933	1.5
79.05486	9.3
81.03427	6.2
81.07057	15.4
83.04991	1.6
83.08623	9.1
85.02906	23.1
87.00830	9.7
87.04476	2.6
88.58135	1.1
91.05426	5.6
93.07042	23.3
95.04974	2.2
95.08606	55.6
97.02893	21.1
97.10167	2.5
99.04449	4.1
105.01865	20.3
105.07011	7.0
107.07864	2.7
107.08594	53.4
109.02877	5.8
109.06515	1.7
109.10164	10.7
111.04435	1.9
115.03934	9.0
117.73293	1.0
119.08575	2.5
121.10142	94.1
122.10458	1.7
123.04433	2.2
123.08047	2.2
123.11705	26.4
127.03905	15.1
133.04982	3.9
133.10152	1.3
135.11684	17.6
137.13258	23.6
139.03934	2.3
139.11168	7.0
145.04977	8.6
148.07523	1.5
149.13290	8.8
150.07605	2.8
159.02951	2.3
163.20819	1.2
167.07104	2.1
177.05542	2.4
177.16386	100.0
178.16728	1.6
195.17433	29.8
203.53082	1.1
223.06178	1.5
231.04979	6.5
241.07076	3.3
249.06078	7.9
327.07019	5.9
345.08096	11.6
363.09238	3.7
455.85687	1.4
497.31674	1.2
578.20953	1.7
610.24561	1.4
618.50208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44952	1.2
53.03949	1.7
55.01863	3.6
55.05499	4.6
56.05039	1.4
57.03429	5.5
58.99589	15.5
65.99724	1.4
67.05501	8.3
69.03414	3.9
69.07061	3.4
69.67075	2.9
69.67486	6.3
70.06605	3.1
71.04996	1.5
72.08170	2.3
74.00672	4.3
76.02231	86.3
76.03996	6.6
79.05482	8.2
80.05014	2.8
81.03422	66.2
81.07046	8.9
82.04846	1.2
83.04973	3.0
83.06094	2.4
83.08186	2.1
83.08620	13.4
84.04502	24.9
84.08096	1.2
85.02905	4.5
85.04033	10.0
85.06502	1.4
86.00642	1.2
86.99061	4.4
88.02220	2.6
91.05444	10.3
92.01720	4.3
93.07038	4.8
95.04973	17.7
95.08624	3.9
97.01129	1.8
97.02886	4.0
97.06518	2.7
97.10188	2.4
98.21471	2.8
105.07025	8.5
107.04944	6.7
107.08608	2.4
109.06517	2.8
109.10209	1.9
110.88921	1.5
111.04477	1.7
111.08067	6.2
112.03984	3.3
113.03530	2.9
116.01683	21.1
117.07086	1.6
119.08557	7.9
121.06502	2.1
121.10150	2.7
123.08056	2.0
123.11732	1.5
124.02145	1.8
129.07072	7.1
130.05020	24.0
131.04512	7.3
131.08540	6.1
133.10101	3.5
135.04387	1.7
136.03946	3.0
137.02386	3.2
137.06036	2.1
141.04811	1.7
142.03247	9.2
142.07782	1.9
144.01166	14.7
145.06146	1.9
145.10120	2.0
147.07986	1.5
147.11674	5.0
149.09628	4.3
157.10126	6.7
162.02206	42.0
163.03899	1.4
167.03377	1.6
170.02724	4.5
175.11223	7.3
177.01865	2.0
177.03288	19.6
177.05498	1.7
179.04858	100.0
184.03897	1.6
185.03816	3.6
187.05431	2.7
189.03189	1.6
191.03410	2.0
193.12262	48.1
195.02914	2.8
195.10144	1.6
211.13373	7.2
215.04887	1.6
222.13121	1.6
231.04398	3.0
233.05920	25.0
245.05968	3.0
250.12814	2.7
267.15918	27.2
285.16983	11.1
287.05548	6.3
288.06415	2.1
291.06534	3.5
294.16669	1.6
299.05496	8.4
300.06281	3.6
306.07462	2.6
308.09109	85.9
311.05615	2.5
329.06583	17.9
341.06741	1.5
353.06555	3.8
360.56165	1.3
366.01187	1.4
383.07404	2.0
396.19983	2.3
413.08401	3.0
431.09665	4.1
445.20038	2.7
449.10788	16.1
491.11777	2.0
574.24414	2.1
592.25177	2.8
610.11853	2.0
610.22925	1.3
611.16138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01869	11.9
55.05505	3.9
56.80201	2.2
57.02612	2.2
57.03443	13.7
59.31674	2.5
61.02925	5.1
68.99800	3.6
69.03430	71.0
69.89753	11.1
71.04980	4.3
73.02905	7.2
79.05474	2.4
81.03419	34.2
83.04983	9.5
85.02910	100.0
87.00839	32.0
87.04476	20.2
91.03934	2.5
97.02893	78.0
99.04472	13.2
103.03935	3.3
103.16108	2.5
105.01869	38.5
109.02884	28.3
111.04428	9.9
115.03934	32.3
117.01822	3.2
119.05010	2.7
121.06502	3.4
123.04418	9.7
127.03919	66.5
129.05481	7.2
131.04942	3.1
133.04953	18.9
135.04449	5.5
139.03923	9.4
141.05449	3.2
145.04970	27.4
147.02873	2.6
147.04434	5.0
148.07530	2.3
150.07629	12.1
151.03946	4.1
153.05472	95.5
154.08549	3.0
159.03064	16.0
159.04279	15.0
163.03905	10.7
165.05562	4.7
167.07104	3.4
177.05475	88.1
181.05051	2.8
187.03973	3.2
189.03947	10.3
191.07051	2.7
195.06522	30.1
201.05609	2.6
205.04973	7.2
207.06354	4.2
213.03909	6.2
213.07590	40.8
217.07118	2.4
219.06557	52.0
223.05940	4.6
229.04996	5.3
231.04916	11.4
237.07567	53.9
243.06462	3.6
261.07596	20.6
279.08606	26.0
285.07755	3.8
287.05353	2.8
303.08557	19.7
327.06943	8.5
345.08224	9.7
355.06854	3.4
389.08487	3.4
407.09705	4.4
448.42792	2.6
610.21869	3.4
618.71484	2.8
635.50415	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	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05496	0.9
67.05493	1.7
69.07059	1.9
69.86871	2.9
69.87284	1.1
79.05478	2.8
81.07059	1.8
91.05472	2.3
93.07047	1.8
103.90938	0.7
105.07047	0.8
107.08595	1.1
109.10152	0.8
119.08588	1.2
121.10146	0.7
131.08565	0.7
145.10152	1.6
161.13303	0.6
180.93832	0.7
213.77342	0.6
214.11345	0.7
237.13885	0.9
258.97339	0.7
275.20105	1.7
376.16916	0.9
377.17886	1.8
388.18329	0.8
389.18582	1.8
390.18384	2.4
391.19211	4.0
392.20035	1.8
399.16269	0.8
401.17639	0.9
403.19388	1.0
404.20691	1.4
405.21005	5.2
406.21616	3.1
407.22296	3.4
414.18695	2.1
415.19077	4.1
416.20230	1.7
417.21390	1.2
418.21671	0.8
419.18237	1.7
419.22992	1.3
420.23279	1.0
421.23892	5.4
422.24771	1.9
429.21005	3.7
430.21994	1.5
431.18185	1.5
432.19507	1.1
433.20297	2.6
441.21417	1.1
443.22626	1.6
444.23395	2.1
445.20328	1.2
447.18219	3.2
448.19098	1.3
449.23746	1.8
451.21179	1.0
457.24127	2.1
458.24744	1.2
459.22012	2.4
460.22733	3.0
461.19113	7.8
462.20673	2.9
463.21420	2.6
471.17807	1.2
472.22910	1.2
473.19193	1.6
474.20493	1.4
475.20935	9.5
476.21936	7.5
477.22348	5.5
478.23239	1.5
485.23569	8.2
486.20715	2.7
487.25577	1.3
488.22342	1.5
489.22839	7.1
494.26813	1.4
497.23132	1.0
499.21426	2.2
500.22006	2.0
503.24411	5.7
504.24356	1.4
507.24234	0.8
513.22888	2.0
515.24396	7.3
517.22266	1.3
521.26099	3.4
531.23938	18.2
535.23572	1.1
541.22247	1.4
549.24951	2.2
550.25360	4.1
559.23352	8.9
577.24371	1.7
591.26013	40.3
592.26129	1.1
609.27032	100.0
609.44257	2.9
610.27313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.40795	1.0
55.01865	1.9
55.05510	15.3
55.63435	1.1
57.03436	4.1
57.07067	3.0
65.03962	1.4
66.89458	0.9
67.05504	31.6
69.07066	16.1
71.04992	2.6
71.08629	1.6
74.04514	1.0
79.05492	22.2
81.07056	30.9
81.42484	1.1
83.04965	1.6
83.08624	8.6
85.06549	2.4
86.66838	1.0
91.05477	19.4
93.07047	22.6
95.04961	3.0
95.08605	27.8
96.92674	0.8
97.06564	1.3
97.10187	4.0
105.07030	22.0
105.07689	2.0
107.08594	13.1
109.06568	1.2
109.10171	11.0
117.07029	10.8
119.08575	16.2
121.10136	8.7
123.08063	1.8
123.11743	3.2
125.09659	2.0
128.06235	3.9
129.07007	13.7
130.07747	1.1
131.08566	17.4
133.10127	14.7
135.11674	5.3
137.09654	1.3
137.13370	1.0
141.06985	6.6
142.07787	3.1
143.08562	18.5
145.10115	19.6
147.11664	5.6
149.13242	3.5
153.07016	1.6
154.07751	2.3
155.08556	14.7
156.09375	1.9
157.10127	18.3
157.11302	1.4
159.11688	13.3
161.13251	5.4
163.14761	1.2
166.07764	1.5
167.08586	8.0
168.09259	1.5
169.10120	18.7
171.11676	15.6
172.12531	0.9
173.13264	7.7
175.14853	2.2
177.16397	2.0
179.08551	2.5
180.09381	1.4
181.10088	9.5
182.10907	2.9
183.11693	18.1
185.13252	12.1
187.14789	6.5
189.16379	1.6
191.99748	1.1
193.10188	4.0
195.11725	14.7
196.12399	1.7
197.13284	14.1
199.13304	1.4
199.14850	7.0
201.16435	2.1
205.10188	1.1
207.11768	3.9
209.13228	9.6
211.14827	10.9
213.16429	4.2
215.18105	1.4
221.13365	2.2
223.14844	6.2
225.16367	4.9
227.17986	3.4
233.13284	1.7
235.14844	3.8
237.16420	4.9
239.18021	3.3
241.19707	1.6
250.09558	1.0
250.43315	1.1
251.17982	3.4
253.19576	2.8
257.18887	1.9
265.19629	1.5
277.19357	1.5
279.21082	2.1
283.20633	1.9
293.19141	1.0
309.21680	1.3
311.23785	2.0
321.22217	1.6
323.23624	2.4
335.23734	1.9
337.24988	2.0
341.24707	1.5
349.25244	1.3
351.27032	2.1
353.24554	1.3
355.26306	1.2
363.26855	1.5
365.28488	2.3
377.28497	1.6
381.27792	1.6
391.30301	1.9
393.31644	1.8
395.29166	1.4
405.32056	1.5
407.29471	1.3
419.33405	1.3
421.31146	1.5
433.31003	1.1
435.32623	1.5
447.32559	2.4
449.34348	1.8
475.35678	1.2
499.39441	3.7
501.36609	1.3
517.40460	20.0
535.41742	9.2
553.42749	1.4
573.42822	2.8
591.44135	17.6
609.26691	9.6
609.45123	100.0
610.45490	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	607.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.9
53.03945	12.5
53.14068	2.7
54.50326	2.4
55.01857	7.0
55.05511	27.0
57.03419	11.6
57.07074	4.1
65.03928	6.1
67.05176	4.4
67.05504	72.9
69.03421	25.1
69.07063	29.8
71.04987	10.6
71.25822	2.5
71.59037	2.7
79.05491	50.8
81.02924	3.4
81.03415	74.1
81.07051	100.0
83.04984	21.9
83.08611	16.5
85.02908	5.8
85.06532	5.4
91.05476	51.2
93.06473	4.6
93.07043	72.0
95.04961	15.2
95.08599	28.5
97.02888	11.4
97.06517	14.2
99.04516	2.8
105.07020	26.8
107.04921	5.0
107.08593	30.8
107.09784	3.7
109.02872	11.3
109.06525	7.3
109.10143	6.1
111.04436	12.6
111.08084	8.5
117.07028	13.9
119.04985	3.9
119.08556	14.5
120.94691	3.0
121.06485	4.1
121.10153	18.8
123.04411	3.1
123.08030	3.7
123.11724	7.5
127.03927	14.4
129.07030	6.9
131.08559	17.2
133.06529	5.3
133.10085	15.7
135.08063	5.8
135.11705	13.6
136.07600	3.0
141.07028	3.4
143.08553	5.5
145.10118	5.0
147.04431	7.9
147.08102	3.1
147.11699	15.4
148.41098	2.9
149.13245	24.3
159.11678	14.5
159.27147	3.0
161.09607	2.6
165.12740	5.6
168.87691	2.9
175.11278	4.1
177.12677	13.0
185.09636	2.5
187.07567	2.8
189.12747	2.9
195.13774	21.0
251.16435	2.9
267.16043	5.2
269.17499	8.0
321.17139	5.2
339.17981	13.7
377.19754	4.5
395.20654	10.7
397.15115	2.8
416.81570	2.8
445.29553	6.1
463.30505	11.0
465.63113	3.0
589.33496	4.4
607.34717	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
60.58408	1.3
67.05496	3.3
69.07059	1.5
69.37421	10.2
79.05483	3.5
81.07059	3.0
91.05492	2.8
93.07038	3.6
95.08604	3.3
105.07050	2.3
107.08597	1.4
109.10136	1.6
117.07059	1.7
119.08629	1.5
121.10185	1.8
123.11670	1.7
131.08549	1.4
143.08553	1.2
145.10144	1.6
147.11726	1.3
188.35768	1.0
190.53046	1.1
203.20050	1.0
211.12173	1.3
218.42581	1.2
376.17557	2.0
377.17865	3.0
378.19193	1.2
389.18701	2.7
390.18521	4.0
391.18973	5.7
392.19888	3.3
401.17871	2.3
403.19675	2.3
404.20404	1.8
405.16327	1.4
405.20914	7.9
406.21643	3.8
407.22449	5.3
414.18500	2.0
415.19223	3.8
416.19702	1.2
417.20868	3.4
419.18298	2.4
419.23038	2.4
421.23947	7.1
429.20859	3.7
430.22220	2.2
431.18341	2.3
432.19473	2.0
433.20309	4.9
443.22412	1.8
445.20407	2.6
446.21414	2.7
447.18091	4.7
448.18448	2.0
449.23822	2.4
457.24158	2.7
459.22293	2.0
460.23346	1.6
461.19406	11.4
462.20438	5.2
463.21210	3.7
473.19751	4.0
474.20468	2.4
475.21143	17.0
476.21866	9.5
477.22537	6.2
478.23727	1.3
484.19174	1.7
485.23236	4.4
486.20328	2.5
488.22278	2.5
489.22980	7.9
499.21103	6.1
500.21884	2.2
503.24341	8.0
504.21448	1.3
505.22195	1.4
507.23700	1.6
515.24585	6.6
517.22205	2.7
521.25616	3.7
531.24066	9.4
549.24677	2.2
550.25909	4.9
559.23535	5.9
563.26331	1.4
577.23926	1.6
591.25946	15.7
609.27020	100.0
610.27136	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.6
51.02386	1.9
53.03945	11.3
55.01888	5.5
55.05510	26.4
57.03437	8.1
57.07077	2.0
65.03946	5.2
67.05505	81.9
69.03429	22.9
69.07067	23.8
71.01358	3.2
71.04990	7.7
79.05494	59.0
80.05840	1.8
81.03418	71.6
81.07057	100.0
83.04975	16.4
83.05373	1.3
83.08622	17.5
85.02892	9.5
85.06586	4.1
91.05483	43.0
92.05818	1.6
93.07047	71.1
95.04972	17.0
95.08604	27.4
95.09140	1.6
97.02892	13.8
97.06532	12.1
97.10187	3.1
99.04499	6.0
99.08102	4.4
103.03996	2.0
103.05499	2.4
105.07035	25.0
105.07684	2.0
107.04984	7.4
107.08599	29.3
107.21948	1.3
109.02866	14.9
109.03467	1.3
109.06557	6.2
109.10159	7.6
111.04434	11.3
111.08106	6.7
115.05526	2.1
117.07025	16.9
119.05013	2.7
119.08577	13.0
121.06532	6.5
121.10149	20.0
123.04453	1.7
123.08081	3.2
123.11716	7.8
124.29928	1.4
125.06016	1.7
125.09687	1.8
127.03914	11.7
128.06223	1.6
129.07057	4.6
131.04987	2.0
131.08560	15.8
133.06564	2.5
133.10130	12.7
135.04549	1.5
135.08115	3.9
135.11678	10.8
137.05980	1.9
141.07088	2.9
143.08591	4.0
143.52216	1.4
144.09358	1.9
145.06532	3.0
145.10110	7.0
147.04485	2.5
147.08131	2.9
147.11707	11.3
148.91801	1.5
149.09698	1.5
149.13263	29.2
149.14362	2.4
151.11189	1.9
153.07054	1.9
155.08618	2.9
157.10204	3.6
159.11690	15.4
161.13293	2.4
163.11223	1.6
165.12852	4.7
169.10312	2.7
173.04546	4.0
177.12752	8.8
179.14323	2.1
181.10359	1.6
183.06546	2.1
185.13423	1.6
191.10857	2.1
193.12424	2.3
195.13812	22.4
201.07637	1.9
211.14934	1.9
213.14973	5.6
219.13841	2.3
227.12761	1.7
229.14613	1.6
229.78165	2.0
233.15494	2.6
237.14970	1.9
251.16364	1.6
253.18184	1.8
257.15863	1.6
267.16077	6.4
269.17404	13.5
275.16580	3.7
303.16025	1.6
321.17175	5.2
339.17978	13.9
371.25760	1.8
372.61392	1.5
377.19632	2.0
394.22430	1.5
395.20645	13.1
405.10938	1.4
445.29617	7.3
463.30737	14.8
571.33411	2.2
589.33942	3.2
607.35065	79.5
608.35645	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.7
53.03944	10.1
55.01873	6.7
55.05273	1.7
55.05516	26.2
57.03445	12.2
57.07084	2.0
58.96193	1.8
59.05005	2.0
62.82562	1.7
63.05914	1.8
65.03942	4.8
67.05509	74.5
69.03426	25.4
69.07073	27.4
70.49423	4.0
70.49831	4.0
71.04991	7.0
79.05500	47.0
80.54348	1.7
81.03423	67.1
81.07062	100.0
83.04978	16.9
83.08629	15.1
85.02924	10.4
85.06554	4.4
91.05482	42.3
93.07050	64.8
95.04980	14.6
95.08609	29.1
97.02893	17.4
97.06540	15.1
97.10166	2.7
99.04469	5.4
99.08092	2.7
103.05490	1.8
105.07027	28.8
105.07681	2.4
107.04969	6.4
107.08600	30.6
109.02909	14.0
109.06534	7.5
109.10154	6.0
111.04428	9.6
111.08115	6.4
115.05489	3.9
117.07012	15.5
119.04961	2.5
119.08579	14.3
121.06534	7.3
121.10152	17.7
123.04435	3.0
123.08051	4.0
123.11734	6.8
125.09673	2.2
127.03930	9.7
128.06146	2.2
129.07037	5.1
131.04982	1.7
131.08582	22.5
133.06468	4.1
133.10127	17.1
135.04425	1.9
135.08090	5.5
135.11705	10.8
137.05946	2.9
137.09624	2.5
141.07004	2.8
143.08607	5.3
145.06499	1.9
145.10184	6.5
147.04420	2.8
147.11690	13.6
149.05983	2.2
149.09622	3.3
149.13258	25.3
151.11188	2.9
155.08572	3.0
157.10161	5.2
159.11687	13.5
165.12749	4.2
167.27510	2.0
169.10201	2.6
173.04582	4.8
173.09731	1.8
175.11288	1.9
177.12794	9.4
195.13831	19.0
201.12749	2.7
204.97244	2.0
213.14873	4.0
247.17010	2.0
261.15018	2.5
267.16180	6.4
269.17526	13.7
275.16486	2.4
303.16034	2.9
321.17090	6.7
335.23517	1.9
339.18118	15.6
371.25989	2.8
377.19580	3.6
380.29980	2.1
395.20786	12.5
445.29520	11.0
463.30374	10.5
571.32037	2.5
589.33539	5.3
607.34869	79.6
607.44714	3.9
608.34937	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	607.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53162	6.6
55.01858	12.9
55.05501	24.1
57.03434	9.2
57.07068	6.6
58.55778	6.0
59.43146	6.7
66.83866	5.5
67.05502	34.3
69.03426	25.8
69.07069	47.0
70.19460	33.0
70.94632	6.8
71.04984	10.1
79.05487	17.8
81.03413	18.4
81.07057	100.0
82.07381	7.5
83.08607	13.7
84.73406	6.8
85.02904	33.1
85.06528	13.9
85.53636	6.5
87.00815	9.1
91.05475	21.3
93.07049	34.1
95.04971	8.0
95.08614	81.9
97.02889	10.5
97.06508	12.1
97.10172	18.6
98.21549	6.8
105.07015	24.7
107.04940	19.0
107.08583	38.8
109.02862	12.4
109.06497	13.8
109.10155	30.6
111.08066	13.2
115.92970	6.6
117.06927	6.7
119.08605	12.7
121.10126	25.1
123.11718	40.4
127.03909	21.6
133.10101	18.0
135.00679	7.3
135.04436	6.8
135.11684	22.9
137.05934	10.4
137.13234	20.0
139.03967	6.7
139.11157	19.1
141.06952	7.3
147.04395	15.5
147.11752	9.7
149.13289	45.7
157.10135	8.0
157.12234	13.8
159.11661	12.0
161.40271	7.5
163.14804	8.9
175.07390	8.3
187.13290	21.3
188.07359	7.3
211.77359	6.6
237.05258	6.8
283.10791	8.8
293.24811	8.9
305.24753	85.9
311.10074	9.7
323.12634	22.2
323.25833	32.4
324.13144	26.3
325.13995	7.8
329.11172	21.7
359.28580	8.8
466.19614	8.2
607.31970	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	607.2909
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
70.64933	0.4
70.84494	0.9
70.84836	1.1
113.88262	0.5
159.64348	0.5
388.16733	0.6
389.17703	0.6
401.17792	1.0
402.18524	1.3
403.19238	2.3
404.20023	1.5
405.20770	1.8
416.20172	0.8
417.16394	1.0
417.21524	2.6
418.21530	1.6
419.22443	3.2
430.17386	0.7
431.18225	7.8
431.23517	0.6
432.19470	1.8
432.24188	0.6
433.24066	10.0
434.24554	2.2
444.19150	0.7
445.19849	9.7
446.20728	4.4
447.21631	4.8
449.23395	0.5
459.21555	5.9
460.22443	17.8
461.23322	16.4
462.23813	0.9
472.22903	0.5
473.23715	3.8
474.24124	1.5
477.23007	0.9
487.24878	1.9
488.25510	0.8
489.22128	0.6
491.24405	1.3
492.25110	1.0
505.21967	4.6
506.26755	0.6
515.24170	0.8
518.23279	0.6
519.24200	3.1
532.24805	2.0
533.25488	0.8
547.27039	37.9
548.27441	1.4
575.26556	1.2
578.24927	0.6
579.29144	0.7
607.29126	100.0
608.29443	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	607.291
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
71.08776	1.3
71.68098	0.7
80.65326	0.7
108.05370	0.7
121.61013	0.7
125.83391	0.7
156.98045	0.8
164.86255	0.7
244.48361	0.8
403.19238	2.8
417.20898	2.8
418.21609	0.9
419.22278	1.7
431.18146	5.6
432.19022	1.6
433.23938	7.8
434.24716	2.0
445.19730	7.3
446.20627	3.7
447.21832	3.7
459.21228	4.1
460.22552	15.6
461.23309	16.6
473.23480	4.3
474.24493	1.0
487.24844	2.8
501.91760	0.9
505.22308	3.3
515.24756	1.0
519.27643	1.6
527.36670	0.8
547.27051	53.6
548.27179	2.3
575.26764	1.6
579.29944	0.9
607.29108	100.0
608.29572	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	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05503	1.3
67.05503	4.3
67.23944	0.5
69.03425	1.0
69.07050	1.6
70.48746	0.5
71.59122	0.5
71.59547	1.0
74.10783	0.4
79.05481	2.9
81.03417	3.5
81.07050	3.4
83.04973	1.1
83.08615	1.2
85.06520	0.6
91.05489	2.3
93.07041	2.4
95.04981	1.0
95.08619	1.7
97.02877	0.9
97.35148	0.5
105.07040	1.5
107.04949	0.7
107.08585	2.3
109.10117	1.1
117.07033	0.9
119.08554	1.0
121.10101	1.0
127.44814	0.6
131.08533	0.8
133.06474	0.6
135.11711	0.8
149.13248	1.1
159.11673	0.7
223.12329	0.9
259.12506	0.5
267.15948	0.7
311.09171	1.0
350.17679	0.5
360.48511	0.8
374.15585	0.8
375.16281	1.3
388.16843	1.6
389.17792	2.6
390.18448	1.3
391.19345	0.8
395.20764	0.7
402.18671	0.9
403.14651	0.7
403.19617	3.8
404.20004	2.1
405.20581	3.1
416.16147	1.1
417.16196	4.8
417.21420	1.9
418.17261	1.1
418.22089	1.1
419.22488	5.9
420.23145	1.3
431.18442	9.1
432.19214	2.8
433.20004	3.4
445.20087	4.5
446.20975	9.4
447.21759	9.8
448.22327	1.1
459.17984	1.7
461.19495	2.6
473.18988	1.0
474.20514	4.9
475.21234	6.9
477.23083	0.7
478.23251	0.8
487.21317	3.0
491.21143	2.6
501.22455	1.0
505.22449	0.8
506.22733	0.8
519.24133	16.8
520.24249	0.7
529.21234	0.6
547.23474	12.9
579.25977	7.1
607.25507	100.0
608.25854	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	607.2549
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.03451	0.6
53.40733	0.6
55.05442	1.0
55.66744	0.6
62.92475	0.6
67.05406	2.0
67.05746	0.7
69.43533	2.9
69.43965	2.7
76.84769	0.6
79.05401	1.6
81.06944	2.0
85.43773	0.5
91.05363	2.2
93.06963	1.2
95.04823	0.7
95.08498	1.5
105.06895	2.8
119.08452	1.8
119.09288	0.6
131.08487	1.0
133.10020	2.1
133.10962	0.6
145.09995	0.8
149.13051	0.6
157.09996	1.0
159.11569	0.8
275.20172	1.4
301.20621	0.6
327.42679	0.7
375.15863	1.0
387.16220	1.2
388.16763	1.6
389.17740	4.0
390.18231	1.9
391.19330	0.8
398.68497	0.7
402.18344	1.7
403.14734	0.6
403.19446	6.6
404.19885	3.0
405.20657	2.7
416.16156	1.9
417.16061	4.8
417.21021	2.7
418.17355	1.6
418.22006	1.2
419.22369	7.8
430.17737	1.5
431.18149	8.2
432.19138	3.0
433.20145	2.6
443.18445	0.9
445.20184	6.4
446.21036	8.0
447.21646	11.0
459.17975	2.5
459.23041	0.8
461.19589	2.4
463.25226	1.0
473.19351	0.9
474.20410	12.0
475.21243	13.6
476.21249	1.0
487.21082	2.5
488.21704	1.1
490.23785	1.3
491.20062	1.8
491.25229	0.8
501.22986	2.1
504.21024	1.0
505.22739	1.1
506.22952	0.8
519.24072	12.0
532.20978	1.0
547.23395	79.8
548.23804	3.0
579.25928	5.3
589.24689	1.6
607.25494	100.0
608.25934	4.5
617.06018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2546
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
57.06908	0.5
64.02590	0.5
70.22768	1.9
121.57371	0.5
197.13539	0.5
204.06567	0.5
219.76338	0.5
220.14241	0.5
223.12462	0.6
328.21838	0.5
373.14716	0.6
375.16385	0.8
388.17139	0.6
389.17636	3.7
390.18448	1.0
391.19302	1.2
402.18491	1.2
403.15201	0.6
403.19351	4.7
404.20078	1.6
405.20694	3.7
416.16071	1.2
417.16254	5.4
417.21210	2.4
418.17664	1.7
418.22452	0.7
419.17804	0.6
419.22430	6.2
420.22992	1.3
430.17419	1.2
431.18292	8.7
432.19202	3.3
433.20105	4.4
445.20160	6.9
446.20987	9.6
446.90536	0.6
447.21698	11.1
448.22461	1.5
459.21777	2.4
460.22827	0.8
461.19763	2.1
462.24582	0.7
463.20636	0.8
463.25696	0.6
473.18939	0.7
473.24188	0.7
474.20544	6.6
475.20999	5.1
478.23691	0.7
487.21265	1.6
491.20996	2.9
501.22983	1.2
505.22238	0.9
519.24127	18.7
520.24615	0.9
547.23395	16.2
548.23724	1.3
579.26031	6.3
589.23907	0.6
607.25488	100.0
608.25610	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	604.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.6
54.28413	0.9
55.01869	8.5
55.05513	3.5
57.03438	16.1
59.05001	30.3
60.04531	1.4
61.02935	6.2
63.80479	1.0
64.96851	1.2
67.05505	2.2
68.99787	3.5
69.03429	68.5
69.07072	1.8
69.52571	9.3
71.01327	1.8
71.04984	5.5
73.02921	6.9
73.72827	0.9
75.04489	1.7
78.99799	1.0
79.05495	4.8
81.03420	31.6
81.07072	2.3
83.01342	2.0
83.04996	6.6
84.12064	0.9
85.02905	100.0
85.06537	1.5
87.00832	39.9
87.04466	16.1
91.03940	2.5
91.05497	3.5
93.07064	1.2
95.04986	4.3
95.08598	1.9
97.02892	92.1
97.06514	2.2
99.04451	17.3
103.03943	1.2
105.01867	61.4
105.03385	26.3
105.07016	2.1
107.04941	1.5
109.02880	34.1
109.06537	1.7
111.04424	6.8
111.14869	1.2
115.03922	21.2
117.01844	2.1
117.09132	11.5
119.08542	1.4
121.06472	2.3
123.04433	4.8
123.11710	1.0
127.03915	80.6
129.01819	2.6
129.05470	2.4
133.04964	11.1
133.06537	2.5
135.04378	1.1
137.06042	1.0
139.03874	3.2
145.04962	38.7
147.02805	1.4
147.04460	1.3
147.08075	1.3
149.05927	1.0
149.19398	1.1
150.07637	7.9
151.03923	2.7
151.22099	1.1
155.48465	1.3
159.02896	16.0
159.27968	1.0
163.07687	1.4
165.05511	2.1
165.09195	1.7
171.02904	1.4
175.07498	2.3
175.13295	6.8
177.04057	1.2
177.05479	4.1
189.03954	2.7
189.09087	7.9
193.08601	2.6
199.09662	1.7
201.03824	1.8
205.05040	1.9
211.09697	3.1
213.03949	11.7
215.05493	2.4
219.10158	1.8
223.05981	3.5
231.04982	28.1
233.06355	1.3
233.17429	1.4
241.07057	4.5
245.11790	2.4
249.06076	9.3
257.08084	1.7
273.06161	1.7
301.09131	2.0
315.10840	4.7
327.06961	5.7
345.08273	10.6
356.16156	1.5
363.09198	1.9
425.31003	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98645	0.8
53.03960	0.7
55.05506	1.2
57.03437	6.9
57.13696	1.1
58.53388	0.6
59.05000	100.0
60.25437	0.7
61.02922	0.8
67.05518	1.1
69.03429	6.1
69.56339	1.3
69.56744	5.1
71.04996	0.9
79.05507	1.2
81.03431	3.0
81.07092	1.1
83.39877	0.7
85.02914	6.9
87.00816	2.4
87.04469	1.6
91.05482	2.2
93.07079	1.2
95.04964	1.5
97.02891	5.8
97.06544	0.7
98.96098	0.9
99.04449	1.1
99.08106	1.5
101.09613	1.8
105.01880	4.2
105.03426	1.1
105.07030	1.7
107.04952	2.2
107.08588	0.9
109.02900	1.8
109.06617	0.7
111.04495	0.9
115.03918	0.8
115.07589	2.8
117.09132	33.2
119.08606	0.9
121.06553	0.8
123.04444	1.2
124.27396	0.7
127.03901	5.2
131.04942	0.9
132.16006	0.8
133.06541	1.1
135.10208	1.3
137.06001	1.4
145.04982	2.2
165.05496	1.5
168.89989	0.8
175.11046	0.8
175.13298	15.0
175.14731	1.0
184.37265	0.7
187.07603	1.3
189.09120	0.8
203.07187	0.7
219.10262	1.2
231.05185	1.2
233.17471	6.4
245.11790	2.1
249.06149	0.9
251.18654	2.6
266.21722	0.8
291.22064	1.3
309.23068	1.0
316.13742	1.0
338.11002	1.8
338.15002	1.4
356.16296	1.1
425.31171	6.2
497.03583	0.8
558.08160	0.8
604.43488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01863	12.6
55.05513	47.7
55.34426	3.5
57.03428	5.2
57.07071	4.0
65.03922	7.3
67.05502	100.0
69.03426	5.5
69.07074	30.6
69.53645	4.2
71.04987	8.8
71.08624	3.8
71.58669	3.4
71.59022	5.6
79.05489	57.2
81.03408	15.1
81.07057	74.1
83.04972	14.2
83.08624	20.7
85.06535	5.0
91.05479	44.9
93.07042	64.9
95.04961	23.2
95.08598	46.7
97.06585	6.2
97.10165	34.2
99.08080	6.3
105.07040	44.8
107.04935	11.8
107.08600	39.9
109.06522	6.6
109.10152	43.2
111.08096	6.4
117.07025	20.7
119.08593	34.2
120.10422	4.0
121.06488	7.4
121.10121	27.4
123.08094	5.7
123.11689	7.0
125.09635	26.6
129.07025	7.7
131.08574	22.9
133.06471	4.9
133.10147	26.6
135.08092	6.7
135.11676	11.3
135.79391	3.6
137.09616	12.4
139.11205	10.4
143.08554	9.5
145.06441	4.1
145.10130	11.3
147.07997	4.8
147.11719	17.0
149.09621	8.9
149.13239	8.0
151.11194	10.4
155.10602	5.4
157.10164	6.6
159.11710	10.4
161.13284	10.6
163.11234	6.4
165.12729	8.7
167.10683	4.4
169.10338	5.0
171.11655	4.1
173.11716	10.8
173.13184	5.3
179.10678	5.0
179.14456	6.8
185.13304	5.7
187.11040	4.9
189.11208	26.5
191.07358	3.2
195.13861	6.0
203.12782	7.8
245.26427	3.8
247.20697	4.0
259.20691	4.8
275.20090	31.0
277.21655	42.6
293.21063	30.7
295.22742	13.0
523.79810	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	603.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03941	4.2
55.01862	0.7
55.05495	1.3
55.56088	0.6
57.03431	0.7
59.02469	1.2
63.25469	0.5
65.03945	0.9
67.05492	2.1
68.99804	0.9
69.03433	4.9
69.07052	1.0
69.67673	4.3
70.06580	1.0
72.08155	26.0
77.03913	0.9
79.05493	16.4
81.03413	7.0
81.07050	2.1
83.04938	0.8
85.02898	6.8
85.06550	0.6
87.00826	2.9
89.12063	0.6
91.05463	1.8
93.07058	1.5
95.04966	4.1
95.08590	1.3
96.04517	1.2
97.02884	4.8
99.04436	2.2
103.05458	2.8
105.03382	0.6
105.04491	0.8
105.07027	16.7
107.04951	8.8
107.08578	2.3
107.23198	0.6
109.02869	12.0
109.06522	3.7
109.10104	0.7
112.03905	0.7
119.08566	0.7
121.06487	0.8
123.04437	4.3
123.08056	13.9
125.05991	5.0
127.03917	13.2
131.08540	0.6
133.06493	67.8
135.04410	100.0
137.06071	0.8
145.04953	5.9
145.10136	1.0
147.04387	1.3
147.08047	0.9
147.11734	0.7
149.02342	0.7
149.07095	0.8
152.07048	0.8
157.10126	0.7
159.02924	1.4
161.02333	2.9
161.06090	0.9
161.42448	0.6
163.03908	0.8
165.10245	17.4
167.03415	3.2
167.08157	11.7
177.05513	1.0
187.07707	0.7
195.02948	1.7
203.07037	2.6
213.03934	35.7
219.10234	0.6
221.08124	2.0
223.14409	3.9
231.04982	20.6
231.07239	1.1
250.54182	0.6
265.04984	0.6
267.06622	0.5
289.46722	0.6
299.13864	4.6
300.62381	0.6
301.14493	1.3
303.15924	0.6
336.29037	0.7
337.10779	3.1
355.11484	5.3
355.15042	1.2
365.08722	1.0
373.64291	0.6
378.75153	0.5
379.04349	0.6
383.09744	2.1
397.12491	0.7
401.10785	9.0
453.18756	7.5
547.19336	1.2
567.29816	0.7
585.30621	1.0
603.30341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05512	4.3
56.05035	0.8
57.03428	0.4
57.07060	0.8
58.99582	1.4
65.03923	0.8
67.05505	16.1
68.05059	0.5
69.06733	0.5
69.07072	7.2
69.68858	2.3
71.05003	0.7
71.08624	0.9
72.09331	0.4
72.81829	0.4
73.01135	0.6
73.06533	0.5
74.00668	3.6
76.02216	1.8
79.05496	6.9
80.05015	1.8
81.03422	1.2
81.07056	14.0
82.06595	0.7
83.04985	1.2
83.06100	1.2
83.08614	1.8
84.04510	6.2
85.01116	0.8
85.02901	0.5
86.00635	2.8
86.99046	0.7
87.02679	0.6
88.02226	1.0
91.05479	4.8
93.07045	7.3
94.06580	0.9
95.04958	2.0
95.08604	13.6
96.04498	0.3
97.01115	1.6
97.06535	1.3
97.10165	1.3
98.00628	0.9
99.01430	1.3
99.02676	0.7
99.08107	0.6
100.02203	1.5
102.03757	0.4
105.07032	3.4
107.08599	3.9
108.08132	0.4
109.06518	1.2
109.10163	3.2
111.02673	1.3
111.08105	0.4
112.02184	4.5
113.00552	0.9
114.03751	5.6
116.01666	3.4
117.06993	1.2
119.08579	3.0
120.08131	0.5
121.10156	2.2
123.02676	0.4
123.08066	1.2
123.11724	1.2
124.11288	0.4
125.04206	0.6
126.03742	1.1
129.06660	1.6
130.05016	1.6
131.08578	1.6
133.10110	2.0
135.08032	0.6
135.11703	1.2
137.04239	0.5
137.09599	2.7
137.13249	2.4
138.03723	0.5
139.03270	0.5
139.11201	0.6
140.01659	0.5
140.05305	0.9
143.02803	1.2
143.08539	0.7
144.01146	1.0
145.06174	0.6
145.10118	0.8
147.11667	1.2
149.09526	0.7
149.13206	1.0
150.12846	0.8
151.11205	0.9
153.07515	0.4
158.23763	0.4
161.13264	1.7
162.02185	1.0
162.12823	1.0
164.14374	0.6
165.12790	1.0
167.08917	0.5
169.04346	0.8
170.11760	0.5
171.11743	0.5
175.14809	0.9
176.14279	0.4
179.04892	0.5
179.08965	0.4
179.14313	0.5
181.10503	0.4
181.12212	1.0
182.10138	0.4
182.95895	0.4
185.03735	2.5
187.05394	0.8
189.03357	1.1
196.11563	5.9
210.13165	0.5
215.04811	3.0
216.05724	2.7
216.10605	0.5
221.15372	0.4
224.11040	21.2
225.09511	0.9
231.04333	3.9
231.21155	0.9
233.05962	1.4
240.10637	0.6
241.11391	1.8
241.19626	0.4
242.12096	39.3
249.22231	1.5
259.20578	0.7
261.36130	0.4
269.10706	0.5
276.22919	0.6
277.21622	5.6
282.15225	0.6
294.24307	1.1
295.22699	3.4
298.13452	0.7
299.14206	1.0
308.09146	0.8
309.18875	0.9
317.19922	0.4
325.21957	0.9
326.21317	1.3
334.22125	1.2
335.20383	3.8
344.13980	8.4
345.14740	1.3
352.23065	13.3
353.21313	2.2
370.24112	5.7
409.25259	1.2
450.28983	0.4
455.25745	100.0
456.25925	2.0
527.27881	6.2
584.29950	1.3
602.31268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07547	0.4
50.94878	0.5
53.03928	0.7
56.71182	0.5
59.61778	0.4
62.57414	0.4
68.81649	0.6
69.03430	0.9
69.07022	0.6
70.06583	0.7
70.38621	1.9
72.08150	1.1
76.75130	0.5
78.04713	2.6
79.05481	4.2
79.64748	0.6
81.03403	0.9
81.07047	0.9
84.04509	0.6
85.02896	2.6
86.09702	1.5
87.04463	0.6
87.25346	0.5
91.05467	2.0
93.07023	0.7
95.04954	1.4
97.02877	1.4
99.04497	0.5
103.05472	3.1
103.43304	0.5
105.07028	5.0
106.04139	1.3
107.04942	5.8
109.02872	1.0
109.06516	0.8
112.85169	0.5
115.05444	2.0
115.37371	0.5
117.06998	1.4
117.70489	0.5
118.04169	0.6
119.04975	0.8
119.71233	0.5
121.06531	2.4
123.04416	6.7
123.07996	0.6
124.00828	0.5
124.05217	3.0
125.05998	0.8
127.03908	1.0
129.06984	0.9
131.04933	7.0
131.08572	1.3
133.06496	5.7
135.04367	0.6
135.08057	1.5
137.05972	3.3
140.07094	0.7
141.06963	1.0
143.06070	0.8
144.05618	0.9
145.06461	2.3
145.10123	0.9
147.04430	1.8
147.08080	0.6
148.07565	0.7
151.03883	1.4
151.07549	3.7
152.04646	2.3
157.06438	0.7
158.07271	1.0
159.08049	1.8
161.05998	6.5
162.07591	0.7
163.07542	12.6
167.07037	100.0
168.07431	1.2
171.08002	0.6
173.05995	1.2
173.09601	1.7
175.07536	1.7
177.09074	2.3
179.07042	2.7
181.08578	4.5
186.02263	0.9
187.07549	2.3
189.09119	1.3
192.07774	0.6
193.08598	14.4
200.03802	0.6
201.09079	2.0
203.08632	0.7
205.08537	0.9
207.10039	0.6
219.10185	2.5
221.11604	0.8
227.97612	0.5
231.07999	0.6
233.11740	2.2
237.11136	2.5
249.11203	0.6
251.12717	1.2
258.09384	0.5
259.07498	0.6
263.10660	1.3
291.10315	0.6
295.13373	0.8
323.12729	1.6
355.11295	0.9
355.15378	10.6
355.19348	0.9
357.41974	0.5
387.18054	9.5
405.19073	14.1
406.19626	0.6
484.29529	0.6
508.47833	0.6
520.47430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01878	2.8
55.05510	0.5
56.05038	0.4
56.45659	0.3
57.03435	2.1
61.02924	1.6
68.99787	1.5
69.03432	12.5
69.52932	3.0
71.04991	1.3
73.02936	2.3
79.05511	0.7
79.70623	0.3
81.03420	14.1
81.07059	0.8
83.04968	0.5
84.04505	0.7
85.02911	19.9
87.00835	7.4
91.03938	0.5
91.05495	0.8
93.07010	0.4
95.04995	0.8
95.08595	0.5
96.04490	5.0
97.02901	6.7
99.04443	4.4
103.03936	1.0
105.01868	5.6
105.07060	0.7
107.04932	1.2
109.02886	13.4
109.10175	0.7
112.03970	100.0
113.04297	0.5
115.03844	0.3
117.01868	1.6
117.06988	0.7
119.04951	1.7
119.08530	0.4
121.02877	0.5
122.85451	0.3
127.03918	18.3
129.01839	1.3
129.03912	0.3
129.07008	0.4
133.06503	0.5
134.07254	1.5
135.08066	1.6
137.31972	0.4
142.98904	0.4
145.04977	5.8
145.06454	0.9
146.39340	0.4
147.02910	1.4
149.05986	1.3
152.07076	2.0
152.33412	0.4
159.02908	7.1
171.02838	0.5
173.06067	1.1
177.04034	0.5
179.04941	0.4
187.05991	0.4
189.04039	0.9
201.05470	2.6
213.04044	0.8
231.05054	2.8
243.10161	10.7
323.23956	0.4
354.13336	8.1
354.17346	0.6
412.00833	0.4
455.24744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
50.74128	0.3
51.02379	0.6
53.03931	0.9
55.01863	1.0
57.03423	1.1
57.07077	0.4
61.02916	1.0
67.05499	0.7
68.99784	0.4
69.03071	0.6
69.03430	5.6
69.86253	0.3
70.06588	1.3
71.05004	0.4
71.12606	0.4
73.02915	0.8
78.03437	1.6
79.05473	0.3
80.04092	0.3
81.03425	5.3
81.07021	0.4
83.01324	0.3
84.14204	0.3
85.02908	7.9
87.00832	3.3
88.07628	2.1
90.02440	0.3
91.03947	0.4
93.07064	0.3
95.04975	0.4
96.04491	100.0
97.02889	2.9
97.04840	0.5
99.04454	1.6
102.09190	1.3
103.03961	0.4
103.06374	0.3
105.01864	1.8
105.07067	0.3
107.04950	0.6
109.02879	5.1
109.10080	0.3
117.01869	0.6
119.04979	0.5
124.42255	0.4
125.02370	1.0
127.03921	6.8
129.01793	0.3
133.06482	0.4
134.07286	0.6
135.08076	0.6
136.07581	2.0
145.04921	1.6
147.02834	0.5
149.02321	3.3
149.06012	0.9
158.62033	0.4
159.02887	2.2
161.05971	0.4
171.04477	0.4
193.04974	4.2
200.04706	0.4
200.20096	5.7
217.04953	0.5
231.05048	0.8
237.07596	1.1
259.09744	2.5
341.06357	0.8
354.13345	10.4
359.07397	0.6
385.09103	1.6
429.11954	2.7
430.61047	0.4
453.62341	0.4
455.25549	0.5
488.17050	0.4
565.97601	0.3
602.19000	1.2
602.29218	7.3
616.02887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02372	0.8
53.03945	0.9
55.01865	0.9
57.03428	0.7
61.02907	0.6
65.13292	0.2
67.01865	1.9
67.05509	0.5
68.99784	0.5
69.03431	5.4
69.03812	0.3
69.48184	1.6
71.04988	0.5
72.76156	0.2
73.02924	1.0
78.03452	2.3
79.05512	0.3
81.03417	4.2
81.07050	0.6
83.01357	0.3
85.02908	8.0
87.00833	2.8
87.04472	0.4
89.06026	0.4
91.03960	0.2
91.05469	0.6
93.07034	0.8
93.82158	0.2
95.04953	0.2
96.04491	100.0
96.60311	0.2
97.02889	3.3
97.04849	0.3
99.04467	1.3
101.02383	0.3
103.03945	0.5
105.01861	1.6
105.07011	0.3
107.04958	2.5
108.05300	0.9
109.02884	5.6
109.06557	0.2
111.04450	0.2
115.03938	0.3
117.01844	0.3
119.04966	0.6
120.79932	0.2
121.06477	0.5
125.02358	1.2
127.03922	6.2
129.01851	0.6
129.05487	0.2
133.06480	0.4
134.07256	0.3
135.04416	0.7
135.08029	0.4
135.24403	0.2
136.04802	0.4
136.07568	2.2
137.06052	0.3
145.04977	1.4
145.12248	0.5
147.02859	0.3
147.04457	0.2
147.92035	0.2
149.05983	1.8
151.03908	0.4
159.02899	1.5
161.06000	0.4
165.05472	7.7
165.06879	0.4
165.09166	0.2
166.05818	3.7
171.03070	0.2
171.04529	0.2
187.06001	0.5
187.07544	0.6
188.07826	0.3
189.03957	0.6
189.09204	0.6
190.09462	0.6
200.04698	0.4
204.00269	0.2
207.06587	0.4
207.10095	0.5
208.10513	0.4
217.04878	1.2
221.11739	3.7
222.12061	3.0
231.05019	0.7
259.09650	2.0
266.86526	0.2
337.25882	0.3
353.16010	0.5
354.13251	6.3
470.17279	0.8
516.18994	0.3
592.68787	0.2
602.20148	2.7
602.30658	0.4
618.72522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01863	1.6
55.47406	0.5
56.96555	0.6
57.03428	1.8
61.02922	1.0
64.19138	0.5
67.05489	1.3
68.99796	1.6
69.03429	12.2
69.07048	0.8
69.49422	5.1
71.05006	0.8
73.02912	1.7
78.03452	2.6
79.05470	0.7
81.03417	10.2
81.07033	1.0
85.02905	13.3
87.00828	4.6
91.05455	1.2
93.07024	0.9
95.04962	1.3
96.04492	100.0
97.02895	9.5
99.04469	3.4
105.01883	2.7
105.07026	1.4
107.04956	2.1
109.02890	8.8
110.75005	0.5
115.05504	0.6
117.01829	0.9
119.04967	1.6
119.08588	0.7
121.10211	0.8
123.11694	0.7
125.02372	9.8
127.03914	12.6
129.01895	0.9
130.22717	0.6
131.00198	0.6
134.07280	1.6
135.08069	2.0
136.02565	0.6
136.07576	28.2
145.04956	1.7
147.04431	0.8
157.99452	0.6
159.02896	2.9
161.05949	0.7
171.04359	1.1
173.05951	0.7
187.06027	1.2
189.05405	0.7
217.04964	4.2
231.05006	0.7
259.09671	7.1
354.13364	55.9
355.13928	1.0
601.32068	1.4
602.18573	1.7
602.32318	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	601.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.05500	24.5
57.03428	4.3
57.07071	20.2
59.04980	4.5
65.03957	4.1
67.05503	43.3
69.03434	16.7
69.07064	27.3
71.04996	4.4
71.08640	10.0
77.03963	6.6
79.05495	33.5
81.03408	27.6
81.07059	48.7
83.04984	23.0
83.08607	21.6
85.06551	7.4
87.04426	4.2
89.06040	9.1
91.05483	62.3
93.07037	76.2
93.07623	4.5
95.04974	28.5
95.08606	47.0
97.06528	15.3
98.21617	4.7
99.08157	5.3
103.05516	5.8
103.82855	4.8
105.07033	100.0
107.04948	5.7
107.08603	69.2
109.06519	18.2
109.10149	32.3
113.09662	4.6
115.05486	13.0
117.06982	24.6
119.08577	87.0
121.06516	11.4
121.10142	91.3
123.08056	14.9
123.11684	8.6
125.09632	11.8
128.06230	13.9
129.07034	11.3
130.07852	9.2
131.08569	41.3
133.06490	8.5
133.10130	52.0
135.08069	17.2
135.11713	17.1
137.05939	4.8
137.09578	8.8
139.11229	11.2
141.06943	7.3
142.07750	25.6
143.08562	32.8
144.09210	5.7
145.10135	56.2
146.07292	4.2
146.38921	4.4
147.08070	11.3
147.11697	25.8
149.09634	18.6
151.07620	5.7
153.06993	3.8
154.07771	4.9
155.08560	14.3
155.10695	6.0
156.09328	19.1
157.10146	46.2
158.10909	6.6
159.04300	4.4
159.08061	16.5
159.11688	27.5
161.05965	12.0
161.09642	16.7
161.13313	6.2
163.11220	9.0
165.06982	6.5
165.09116	8.9
165.12790	5.1
167.08551	10.4
167.10680	50.8
168.09395	5.6
168.11194	4.9
169.10139	29.0
170.10889	7.5
171.11674	20.8
173.05920	8.8
173.09613	4.5
173.13223	23.1
175.11183	11.7
175.14842	11.7
178.07661	3.9
179.08574	10.2
180.09277	6.1
181.10162	17.7
181.12296	6.6
182.10863	6.4
183.11671	22.4
185.13252	13.2
187.07570	7.4
187.11176	6.2
187.14874	4.8
189.12689	8.5
191.14485	6.0
193.10182	14.2
194.10811	6.8
195.11716	20.7
196.12341	5.7
197.13223	21.1
199.11250	4.7
199.14838	15.7
199.72299	4.4
201.16475	6.1
203.14360	6.8
205.10158	5.1
207.11729	9.7
208.12428	7.0
209.13231	21.0
211.14806	14.9
213.16519	5.4
215.14339	8.5
217.15819	5.3
221.13303	10.2
221.15350	12.8
222.13936	4.7
223.14861	11.0
225.16371	9.6
227.14429	7.4
233.15379	24.1
235.14848	4.8
237.16461	5.9
239.14328	4.0
247.14729	4.1
249.16512	5.9
251.17783	7.3
255.17474	5.8
259.14877	7.4
263.18042	7.6
269.19025	12.3
271.13315	18.4
273.18689	6.4
289.14468	9.7
317.22690	4.9
345.16672	4.3
352.08743	4.5
385.68222	5.0
474.36682	4.5
478.65628	4.3
583.41309	11.3
601.41455	32.6
607.10938	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	601.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01862	4.4
55.05505	23.5
57.07067	12.1
59.04985	3.8
63.53941	1.9
65.03934	4.9
67.05505	35.9
68.84513	1.8
69.03425	16.1
69.07066	22.8
69.95872	11.2
79.05483	35.3
81.03406	5.7
81.07047	45.6
83.04970	21.7
83.08617	18.1
85.06531	6.4
87.04457	6.5
88.45116	1.7
89.06007	4.9
91.05480	56.8
93.06474	4.7
93.07043	80.1
95.04956	27.1
95.08044	3.5
95.08602	41.9
96.08955	2.1
97.06522	14.5
97.10139	2.7
103.05472	6.1
105.07027	100.0
106.07314	2.4
106.34850	2.1
107.04951	4.0
107.08589	68.1
109.06522	16.3
109.10166	29.8
111.08069	6.2
111.11745	3.5
113.09639	3.6
115.05447	7.8
117.06998	20.1
119.08577	85.4
120.08916	2.2
121.06507	9.9
121.10139	78.1
122.10471	2.0
123.08059	14.4
123.11685	9.9
125.05973	2.6
125.09605	13.2
128.06194	12.0
129.07002	24.3
130.07777	7.7
131.08571	41.0
133.06451	6.0
133.07539	2.4
133.08578	2.9
133.10123	59.9
135.08057	16.9
135.11668	14.0
137.09581	8.4
137.92302	2.0
139.11142	8.4
141.06995	12.1
142.07771	20.2
143.08556	43.7
144.09286	9.3
145.06422	2.8
145.10115	64.0
147.08032	11.6
147.11685	24.8
149.09607	19.2
149.13318	3.3
151.07585	5.0
151.11177	5.0
153.06969	4.9
154.07800	3.7
155.08556	18.3
155.10667	6.3
156.09344	17.6
157.10123	55.9
158.10945	4.9
159.08083	14.3
159.11684	41.6
161.09642	11.0
161.13255	7.3
163.11150	7.9
165.06985	8.1
165.09097	8.0
166.07794	3.4
167.08617	10.0
167.10674	57.8
168.09320	5.9
169.10088	27.0
170.10847	7.4
171.08049	2.3
171.11668	33.7
172.12128	2.1
173.09605	6.5
173.13242	22.6
175.11176	8.8
175.14822	14.0
177.12624	3.3
179.08525	10.3
180.09325	6.4
181.10121	14.9
181.12210	3.5
182.10808	7.5
183.11679	25.6
184.12401	3.0
185.09589	4.9
185.13251	19.7
186.13866	3.2
187.11143	5.0
187.14766	9.1
189.12704	6.3
189.16325	3.2
191.14217	4.2
192.09296	3.3
193.10150	12.0
194.10915	8.6
195.11673	19.2
196.12471	9.3
197.13229	19.7
198.13593	1.9
199.11189	3.8
199.14806	13.8
201.12814	5.6
201.16351	6.8
203.14421	3.8
205.10201	4.8
206.10880	4.6
207.11678	14.8
207.13622	4.5
208.12375	6.1
209.13300	22.7
209.15169	4.1
210.13989	5.1
211.11223	3.1
211.14787	17.2
211.32181	2.0
213.12755	6.7
213.16338	5.0
215.14302	5.8
217.10150	3.0
217.15997	4.2
218.10760	3.5
219.11678	5.4
220.12415	5.9
221.13254	11.5
221.15367	15.8
222.13762	2.8
223.14871	14.0
225.12758	4.9
225.16379	8.8
227.14330	3.9
229.15987	2.4
231.11700	4.0
232.12358	2.5
233.13239	5.0
233.15298	25.3
234.13896	4.1
234.16136	4.2
235.14781	4.5
235.16940	2.3
237.16359	5.9
238.17001	2.4
239.18036	4.0
243.11650	3.6
244.12453	2.3
245.13193	3.1
245.18860	2.2
246.14061	4.4
247.14763	7.1
249.16400	7.7
251.17894	5.8
253.15889	2.9
253.19452	2.6
255.17412	5.4
257.18951	2.2
259.14908	4.8
261.16345	4.6
263.17886	4.5
265.19547	3.2
269.19003	8.4
271.13354	2.5
273.18604	2.5
275.20285	3.4
277.19376	3.6
281.18976	4.4
283.20407	2.4
289.19519	3.7
291.19913	3.2
313.21817	3.5
313.27292	2.9
343.24188	3.0
347.23724	2.2
353.29202	2.2
523.75775	2.4
565.40186	2.8
583.40814	5.8
601.42566	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	601.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87509	2.2
53.03951	5.0
55.01868	5.8
55.05512	23.1
57.07075	20.0
58.80751	2.5
59.04993	6.2
64.64149	2.9
65.03946	4.4
67.05504	42.0
69.03423	14.2
69.07065	24.0
71.08630	8.7
73.21056	2.8
74.65222	3.1
77.03908	2.9
79.05494	42.0
81.03421	6.1
81.07066	45.4
83.04986	25.0
83.08621	15.3
85.06531	4.8
85.10178	4.0
86.72858	2.6
87.04474	7.1
89.06036	18.4
91.05475	69.0
91.09729	2.9
93.07043	81.3
94.07361	3.1
95.04964	27.8
95.08044	4.3
95.08607	48.5
97.06526	16.6
97.10176	5.6
103.05461	6.7
105.07030	100.0
107.04944	10.9
107.08588	73.5
109.06541	16.3
109.10163	30.0
111.08075	5.0
111.11710	3.5
113.09643	2.9
115.05452	11.7
116.06224	4.2
117.07018	21.2
119.08582	96.7
119.09458	4.7
121.06502	13.6
121.10146	88.3
123.08070	16.2
123.11690	9.2
125.09653	17.0
128.06218	11.2
129.07016	19.4
130.07756	10.4
131.08566	45.8
133.06462	4.9
133.08565	8.9
133.10124	63.2
135.08049	17.4
135.11684	24.3
137.09619	11.2
139.11195	6.0
139.77014	2.7
141.06998	10.8
142.07802	21.3
143.08569	42.0
144.09293	10.1
145.10118	70.6
147.08043	11.7
147.11687	21.2
149.09607	24.9
149.13248	4.4
151.07532	5.9
151.11192	5.5
153.06917	3.6
154.07777	3.0
155.08553	16.9
155.10669	6.3
156.09343	24.2
157.10126	54.7
158.10854	7.7
159.08014	16.7
159.11697	42.2
160.08638	3.2
161.09621	17.2
161.13289	8.6
162.10176	2.9
163.11163	12.6
165.06998	7.8
165.09114	8.5
165.12807	3.0
166.07765	3.5
167.08488	11.8
167.10666	65.5
168.09328	5.3
169.10117	27.4
170.10861	9.5
171.11665	32.3
173.09639	7.9
173.11879	4.4
173.13229	22.7
175.11189	10.1
175.14792	17.6
177.11267	4.7
177.12721	5.4
179.08557	10.8
180.09323	6.1
181.10110	19.9
181.12169	5.2
182.10818	9.3
183.11685	24.6
184.12320	4.5
185.09607	6.6
185.13286	20.6
187.11203	8.2
187.14803	10.6
189.12727	7.7
191.14264	6.2
192.09323	3.6
193.10139	7.4
194.10863	8.0
195.11720	20.4
196.12421	6.3
197.13287	25.8
199.11244	4.9
199.14864	14.7
201.12750	8.0
201.16484	7.3
203.14296	6.3
205.10071	4.1
206.10904	6.0
207.11679	12.2
207.13727	5.1
208.12445	5.8
209.13286	24.7
209.15154	3.8
211.11151	3.0
211.14815	16.0
212.15326	3.4
213.12709	3.9
213.16397	4.9
215.14301	8.2
217.10176	3.3
217.15884	3.8
219.11668	4.7
220.12555	3.2
221.13263	12.1
221.15378	15.0
222.13780	2.7
223.14865	14.7
225.12741	4.3
225.16263	6.7
227.14258	6.8
229.72006	3.6
231.11694	3.7
232.12379	3.8
233.13219	7.9
233.15344	34.3
235.14740	9.2
236.15390	3.6
237.16402	5.4
239.17966	4.0
243.17584	2.8
244.12402	3.0
245.13139	5.4
246.13934	3.5
247.14757	6.4
249.16298	7.1
251.18008	4.2
255.17419	3.4
257.19003	4.5
259.14661	3.5
261.16367	8.2
263.18024	3.5
265.19568	7.8
269.19000	7.4
271.20480	3.7
273.18436	9.4
275.20187	4.7
277.19415	4.0
281.19055	4.9
283.20306	6.9
285.18857	3.8
289.19467	4.0
291.19507	14.5
293.21262	15.2
295.20432	4.1
341.97708	2.9
343.24127	3.7
349.25369	4.3
565.40253	4.4
583.40417	11.5
601.41687	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01859	2.7
55.05506	17.1
57.07069	9.6
59.04998	3.7
65.03928	4.2
67.05504	28.6
69.03447	11.9
69.07069	20.8
69.77259	16.0
78.62495	2.1
79.05487	34.6
79.86913	2.3
81.03434	5.9
81.07058	41.0
83.04965	15.1
83.08611	11.9
87.04465	3.9
89.06026	3.7
91.05471	52.1
93.07042	70.6
94.07346	3.2
95.04968	19.0
95.08608	33.7
97.06522	9.8
103.05444	6.4
105.07028	100.0
106.07346	6.4
107.04949	5.3
107.08592	56.9
109.06519	14.3
109.10153	24.3
111.08068	4.8
113.09635	5.1
115.05447	6.3
117.07015	19.8
119.08579	87.8
121.06489	10.6
121.10134	69.0
121.11015	3.4
123.08040	16.3
123.11709	7.8
125.05958	4.0
125.09635	9.8
128.06221	12.7
129.07011	16.7
130.07777	7.0
131.08578	43.7
133.06490	7.1
133.10112	42.9
135.08078	12.9
135.11697	13.2
137.09633	8.4
139.11099	3.3
141.06989	6.0
142.07768	19.4
143.08583	40.3
144.09282	10.1
145.06447	4.1
145.10114	53.5
146.10445	3.0
147.08073	14.5
147.11665	18.7
149.09628	17.6
149.13268	3.8
151.07552	6.0
151.11169	3.1
153.07021	4.6
154.07744	5.0
155.08553	16.4
155.10658	6.6
156.09340	13.4
157.10130	46.7
158.10825	6.6
159.08066	12.0
159.11678	34.0
160.12108	2.6
161.09630	15.2
161.13248	9.0
163.11238	12.0
165.06996	6.0
165.09119	28.4
166.07819	3.6
166.09448	2.9
167.08537	9.3
167.10681	43.5
168.09447	5.5
169.10110	28.1
170.10890	8.2
171.11667	27.2
172.08755	3.7
172.12183	4.2
173.09645	6.6
173.13292	14.8
175.11201	7.2
175.14827	7.3
177.12726	3.3
179.08568	7.9
180.09315	6.9
181.10152	17.4
181.12201	8.0
182.10960	5.8
183.11697	22.5
184.12363	3.3
185.09528	2.6
185.13231	19.0
186.14012	3.2
187.11226	5.7
187.14870	7.2
189.12761	8.1
191.14241	5.3
192.09343	4.4
193.10144	12.0
194.10901	9.9
195.11670	20.6
196.12405	5.8
197.13243	23.1
197.55113	2.6
199.11162	6.5
199.14827	14.0
200.15372	2.3
201.12782	5.5
201.16287	4.2
203.08676	3.3
203.14317	8.2
206.10960	5.8
207.11703	17.1
207.13670	5.0
208.12419	5.8
209.13242	17.6
209.15186	4.8
210.13969	4.9
211.14828	12.8
213.12767	3.9
213.16370	5.4
215.14319	6.8
217.10156	3.8
218.10808	2.7
219.11786	3.0
219.17369	2.9
221.13231	8.7
221.15312	41.3
222.13947	3.7
223.14844	8.7
225.16380	5.5
227.14331	5.1
231.11591	4.1
232.12428	3.6
233.13260	5.8
233.15398	18.3
235.14809	8.8
236.15622	3.7
237.16461	4.5
242.07701	2.3
245.13231	4.8
247.14714	5.8
249.16371	4.8
251.17953	5.4
255.17400	4.2
259.14771	5.0
261.16266	5.7
263.18027	4.2
265.19562	3.3
269.18948	8.7
271.15329	4.0
273.16190	5.7
273.18787	3.4
274.19342	3.3
275.17694	3.7
277.19458	4.1
281.18918	6.3
283.20593	3.3
285.18622	4.3
287.20050	4.1
289.19455	3.3
295.20688	5.5
299.19919	3.0
301.21902	5.1
314.21945	2.4
347.24307	2.7
352.24036	6.9
353.24384	5.4
365.24902	2.6
366.25427	2.9
377.24652	2.7
491.34720	2.8
509.35028	3.6
521.35803	5.9
565.40198	7.1
583.41516	12.1
601.43048	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
53.04528	2.2
55.01858	2.9
55.05510	23.3
57.07069	6.3
59.04986	3.7
65.03926	4.4
67.05508	34.4
68.64661	2.2
69.03431	14.8
69.07077	24.5
69.39137	20.5
79.05492	37.3
79.05914	4.0
81.07054	39.1
83.04980	20.7
83.08614	17.1
85.06557	6.5
89.39477	2.4
91.05484	62.4
93.07048	81.1
95.04964	25.1
95.08611	34.6
97.06544	11.7
103.05495	4.8
105.07031	100.0
107.04977	2.7
107.08593	70.5
109.06544	14.6
109.10167	29.0
111.08093	5.6
111.11692	2.7
113.09692	5.6
115.05447	7.2
116.06194	4.1
117.07029	23.4
119.08586	89.1
120.09383	2.6
120.29958	2.0
121.06514	9.9
121.10139	81.4
123.08084	11.3
123.11719	9.1
125.09630	16.6
128.06230	13.6
129.07001	22.0
130.07799	9.9
131.08575	40.8
133.06534	3.0
133.10143	46.4
135.08064	15.6
135.11697	17.5
135.13675	2.0
137.09607	9.9
139.11192	5.5
141.06995	8.3
142.07784	21.0
143.08571	41.3
144.09349	9.5
145.06509	3.5
145.10123	66.3
147.08043	9.9
147.11705	21.2
149.09615	21.0
149.13271	3.7
151.07574	4.2
151.11142	4.6
153.07028	4.0
154.07797	3.7
155.08594	14.6
155.10632	3.8
156.09352	16.5
157.10143	47.2
158.10904	7.7
159.08080	13.2
159.11687	30.1
161.09676	13.5
161.13264	5.4
163.11183	9.0
165.07004	8.7
165.09143	5.7
167.08536	9.8
167.10689	56.2
168.09309	5.2
169.10129	25.8
170.10886	8.6
171.11696	27.3
172.08688	2.6
172.12268	2.7
173.09637	6.6
173.13234	20.9
175.11197	9.0
175.14828	13.0
179.08606	14.0
179.14258	2.1
180.09314	7.1
180.73367	2.4
181.10091	14.6
182.10925	11.5
183.11714	23.0
184.12378	3.8
185.09627	4.3
185.13286	16.2
187.11168	7.2
187.14772	5.8
189.12776	6.8
191.14282	5.7
192.09337	6.7
193.10159	14.2
194.10918	9.0
195.11725	24.0
195.58795	2.2
196.12411	8.1
197.13255	18.4
198.13818	3.6
199.11191	4.2
199.14812	12.2
201.12764	4.4
201.16478	3.6
203.14278	7.7
205.10196	3.5
205.15979	2.8
206.10954	8.5
207.11679	13.0
208.12360	5.1
209.13263	21.0
209.15137	3.7
210.14087	3.7
211.11331	2.5
211.14813	13.5
213.12785	4.5
215.14330	6.7
217.10152	2.3
219.11722	6.3
220.12346	3.0
221.13261	10.7
221.15457	11.1
223.14917	11.4
225.16393	7.9
227.14372	5.6
231.11777	3.0
231.17474	2.8
233.13208	7.1
233.15407	28.7
235.14896	11.2
237.12871	3.0
237.16420	5.2
239.14325	2.8
244.18251	2.9
245.13237	5.4
246.13876	2.9
247.14630	3.4
248.15346	3.3
249.16341	6.2
251.17903	6.0
253.19670	2.4
259.14896	3.4
261.16318	3.1
263.17877	5.0
265.19485	4.0
269.19031	9.7
272.78934	2.2
275.17786	5.5
277.19617	2.5
281.19034	2.7
289.19626	2.9
309.22110	2.7
314.20428	2.4
346.90198	2.7
361.25415	2.9
583.41278	4.1
601.42242	7.8
614.57001	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	601.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
55.08749	0.6
59.23278	0.6
67.05491	1.8
69.07070	0.9
69.34188	0.7
69.34513	6.8
72.09312	0.7
79.05470	1.3
81.03417	1.0
81.07050	2.6
91.05476	1.8
93.07047	1.6
95.08595	1.6
105.07021	1.8
107.08604	1.5
115.02439	0.7
115.03696	5.3
119.01933	1.2
119.08544	0.8
121.10116	0.9
131.01906	1.9
133.03433	4.6
133.10101	0.8
145.03448	1.2
149.02092	1.9
151.04538	4.3
151.11172	0.6
157.03459	2.2
159.11699	0.9
161.02939	1.4
167.01888	0.9
169.03394	1.2
171.05026	1.6
175.04543	1.1
182.05554	0.7
182.98021	0.7
185.02937	3.3
187.04498	1.6
201.06064	4.5
203.04126	0.7
212.98326	1.0
213.30809	0.6
213.53972	0.6
230.99454	4.0
239.00739	1.4
241.05634	0.9
247.87492	0.7
248.99347	1.4
249.00272	1.4
267.00168	1.4
281.01724	2.7
297.22757	0.7
301.20062	14.2
305.01816	1.7
319.21207	5.4
323.03320	0.7
337.22214	1.9
341.04993	10.4
342.22833	2.0
357.23843	1.1
359.04907	0.9
375.25040	100.0
376.25464	2.7
417.26010	1.1
503.29880	1.2
541.23248	4.6
565.23145	1.0
583.25134	2.7
601.25372	10.8
602.25562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07704	0.5
55.01861	0.9
55.05481	0.9
67.05492	1.6
68.05013	1.1
69.03414	1.5
70.01964	2.9
70.02934	0.6
74.00659	0.8
76.03995	3.1
79.05479	1.5
80.05010	2.0
81.07063	3.8
83.04988	0.6
84.04506	5.5
85.02888	1.0
85.04015	2.4
86.06055	1.6
87.04469	15.5
91.05473	1.3
92.01698	0.7
93.07042	1.3
95.04968	0.6
95.08596	3.2
97.01111	1.3
97.02859	0.8
97.06497	0.9
98.06023	0.8
99.05582	1.0
101.04233	1.3
104.46509	0.6
105.07018	1.3
106.06587	1.2
107.04939	0.8
107.08585	1.0
109.02874	1.1
111.02695	0.6
112.02189	15.3
112.03953	1.0
113.03488	0.6
117.07002	0.6
119.07346	1.3
123.02667	0.7
123.08053	1.2
124.02160	1.0
124.56254	0.6
126.03742	0.7
127.03958	0.6
130.05011	4.7
131.04532	1.5
133.10136	0.9
136.07556	1.0
138.03732	1.2
139.03207	0.7
140.01657	0.5
145.06104	1.2
148.07550	3.1
149.04001	0.7
151.05759	1.4
152.05292	8.2
153.06610	0.6
159.02245	0.7
160.00670	0.6
162.09138	0.6
164.01678	1.7
166.08679	3.0
167.06978	0.6
168.04800	5.8
169.06842	1.1
170.80746	0.5
177.03314	6.5
177.07324	1.1
180.04779	16.6
181.06165	0.7
185.03758	3.7
186.05804	0.8
192.04779	1.3
192.10049	0.8
194.06422	1.0
198.05840	38.0
204.04810	1.1
206.06398	1.9
206.11769	1.7
210.05820	0.6
220.04474	0.6
220.07913	0.6
224.07349	1.1
231.04362	9.7
232.04260	1.9
234.09535	1.3
238.12224	0.8
239.13100	1.7
240.10522	1.0
246.09467	2.6
246.14856	4.9
248.11029	1.2
256.13400	0.7
257.14090	0.6
258.14975	0.5
260.16626	0.7
262.12643	3.7
264.10574	1.2
266.12183	0.9
272.10965	3.6
276.10443	1.0
278.99109	0.5
280.13654	3.9
288.06564	1.9
290.12057	7.2
292.15616	0.5
294.16962	8.0
296.18597	1.9
298.14642	0.8
306.83606	0.6
307.36008	0.7
308.13126	8.9
316.13617	1.5
326.14203	100.0
327.14447	2.4
328.15811	1.2
334.14722	1.4
338.59277	0.6
344.13223	2.9
351.17355	2.7
352.15790	16.9
353.10114	0.7
362.14224	7.6
369.18411	2.1
379.16840	4.9
380.15179	9.0
397.17886	4.3
401.20602	0.8
417.18475	1.3
435.19748	1.3
454.19672	0.7
472.21136	13.0
480.21783	0.7
508.21152	0.9
526.21936	1.3
583.23639	0.9
601.26141	2.8
623.76831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
51.51286	0.3
53.03943	1.2
55.01882	1.7
55.02107	0.4
55.05504	0.9
57.03436	1.3
60.47999	0.3
61.02913	0.4
63.98791	0.3
65.03945	0.4
67.01867	14.7
67.05502	0.8
69.03066	0.6
69.03429	6.8
69.07052	0.4
71.04996	0.4
71.58739	0.3
71.59128	0.6
73.02910	0.6
79.05494	2.1
81.03412	2.9
81.07063	1.9
83.04986	0.8
85.02898	6.1
85.06529	1.0
87.00832	0.9
87.04467	1.8
91.05486	2.5
93.07047	1.1
94.04165	0.5
95.04932	0.7
95.08602	0.6
96.04494	16.8
97.02897	4.9
99.04448	1.2
101.02395	0.4
102.00040	0.4
103.03984	0.4
105.01868	1.1
105.07020	0.9
107.04955	25.8
109.02892	3.8
109.06510	1.2
109.10158	0.7
115.03928	1.8
115.05424	0.4
117.06947	0.5
119.03433	1.2
119.04952	1.3
119.08602	0.9
121.06507	1.3
122.03643	2.5
123.04424	0.6
127.03915	4.1
128.06250	0.5
129.01849	0.4
129.05473	1.1
131.08565	0.6
133.04939	1.1
133.06471	1.4
133.10110	0.4
135.04413	9.5
136.07561	0.8
137.05974	2.9
137.09604	0.6
143.08580	0.9
145.04973	1.1
145.06459	0.5
145.10063	0.5
147.04341	0.7
147.08031	0.5
149.05980	1.5
150.03098	1.3
151.03899	2.8
151.07442	0.6
153.05461	0.7
157.10196	0.4
159.02911	0.9
159.08012	0.7
161.09590	1.1
163.03902	0.3
165.05476	100.0
166.05836	0.5
167.06985	0.8
167.15196	0.3
171.07928	0.8
171.11656	0.4
173.05960	0.5
174.06755	1.1
175.07495	0.5
176.04730	0.4
177.05508	0.6
179.04855	0.8
179.07079	0.7
179.10696	0.4
187.07544	8.5
189.07411	0.5
189.09099	9.6
191.07031	0.4
191.10678	1.2
199.07504	0.5
201.09204	0.5
203.10663	0.8
207.06601	3.6
207.10136	6.9
213.09135	1.1
219.10347	0.4
221.11726	55.1
231.04945	0.7
231.10110	1.0
236.99283	0.4
245.11746	1.3
249.07478	0.5
252.88974	0.4
263.12708	1.0
285.11160	0.6
303.12079	0.6
317.13892	0.5
321.13306	0.9
335.14740	0.7
353.15930	8.8
354.13193	0.7
369.11749	2.0
381.08069	0.6
413.10681	4.1
450.89697	0.4
469.16962	6.6
493.95529	0.4
601.20941	12.6
601.30145	2.4
602.22052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96388	0.2
53.03941	0.8
54.27655	0.2
55.01857	0.8
55.05513	3.5
56.05030	0.5
57.07066	0.5
58.99575	1.3
65.03934	0.8
67.05502	15.0
68.05019	0.4
69.03419	0.7
69.07066	4.8
70.02942	0.3
71.04987	0.8
73.01149	0.3
74.00666	2.8
76.02227	2.0
76.03968	0.6
77.03951	0.3
79.05490	10.8
80.05016	1.8
81.05755	0.4
81.07056	7.7
82.06574	0.4
83.04984	0.7
83.06085	1.1
83.08616	1.3
84.04498	6.3
85.01138	0.8
85.06524	0.4
86.00658	2.2
86.99073	0.7
87.02691	0.5
88.02200	1.2
91.05479	7.4
93.07041	13.5
94.06577	1.4
94.40453	0.3
95.04970	2.9
95.08604	6.2
97.01111	1.9
97.06522	1.1
97.10150	1.3
97.41801	0.3
98.00620	0.5
99.01424	1.1
99.02663	0.3
99.05583	0.9
100.02204	1.3
101.00615	0.3
105.07032	6.7
106.06548	0.5
107.04948	1.4
107.06052	0.3
107.08588	9.0
108.04472	0.4
109.06529	0.7
109.10151	4.4
111.02675	0.9
111.11735	0.3
112.02189	4.8
112.03926	0.3
113.00602	1.1
113.02981	0.4
113.04288	0.4
114.00122	0.5
114.03748	5.0
116.01672	3.1
117.06995	2.1
119.08572	5.3
120.08102	0.5
121.06475	0.6
121.10135	4.2
123.02659	0.8
123.08038	0.6
123.11725	0.6
124.02164	0.4
125.04207	0.5
125.09628	0.4
126.03749	1.5
127.02161	0.4
127.05766	0.4
129.06555	1.8
130.04985	1.8
131.08571	2.9
133.10127	5.1
134.09613	0.4
135.08080	1.2
135.11691	3.8
136.04047	0.3
137.04250	0.7
137.09607	1.5
138.03716	1.1
139.02180	0.3
139.03207	0.7
139.05673	0.4
139.11166	2.0
140.01665	0.3
140.05312	0.7
141.02428	0.3
141.06929	0.4
142.03226	0.3
143.02771	0.8
143.08556	0.6
144.01173	0.9
145.06137	0.6
145.10112	1.9
147.10692	0.3
147.11693	2.1
148.11197	0.4
149.09616	0.9
149.13313	0.4
150.12761	0.5
151.05751	0.4
151.11171	0.4
152.05281	0.5
153.06541	0.6
155.08560	0.5
157.10103	0.5
159.11688	1.3
161.09599	0.3
161.13228	0.7
162.02179	1.3
162.12784	1.2
163.05817	0.4
163.11278	0.5
165.07359	0.4
167.08900	0.3
168.08415	0.5
169.04262	0.6
169.10139	0.4
171.11691	0.7
173.13289	0.7
174.12723	0.3
177.12756	0.4
178.12250	0.3
179.04932	0.8
179.08943	0.5
181.06084	0.5
182.11870	0.3
183.11708	0.5
185.03787	1.9
185.13120	0.3
187.05354	0.4
188.14349	0.5
189.03326	0.8
191.08949	0.6
193.06206	0.5
195.08467	0.3
196.11554	4.7
196.13326	0.4
197.13319	0.3
199.07214	0.4
203.12784	2.4
208.11479	0.6
209.09933	0.3
215.04866	2.8
216.05637	2.2
216.10681	0.4
222.09483	0.6
222.14941	0.5
224.11040	19.4
225.09467	0.9
225.11597	0.6
231.04327	2.7
233.05934	0.8
236.16446	0.3
239.77916	0.3
241.11328	0.8
242.12091	32.3
243.12411	0.7
247.20433	0.4
252.10606	0.6
255.08070	0.5
256.09402	0.4
257.19077	0.8
269.10767	0.5
272.02481	0.4
275.20062	4.4
282.15323	1.0
292.22751	0.6
293.21207	1.1
298.13519	0.5
299.14328	0.8
299.20016	0.4
304.22723	0.4
305.19055	0.3
307.17349	0.5
308.09128	1.2
322.22095	0.7
323.20398	0.7
324.20013	1.0
332.20407	0.9
333.18823	2.4
343.13300	0.5
344.13992	9.0
345.14777	1.6
350.21460	13.1
351.20032	1.1
368.22552	5.3
378.21280	0.5
383.16260	0.3
384.17252	0.6
401.67847	0.3
407.23615	0.6
435.23181	0.6
453.24176	100.0
454.24512	3.1
507.25272	0.4
525.26263	6.0
582.28381	0.9
583.26337	0.3
600.29596	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	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43221	1.3
67.05489	1.6
69.03425	1.5
70.06609	1.4
71.58927	1.5
71.59319	2.4
72.08156	1.8
81.07030	1.5
83.63187	1.4
85.02893	2.1
91.05472	2.5
91.91526	1.3
95.04944	1.4
97.02902	2.1
107.04961	8.0
122.06028	1.6
123.04424	2.2
127.03894	1.6
128.06242	3.0
129.07002	5.6
131.08525	7.1
133.06523	1.8
134.05963	1.6
136.07532	1.4
136.70265	1.4
141.07036	2.2
144.05658	2.6
145.06491	1.9
146.06076	1.4
146.07259	1.4
147.04382	1.3
148.07578	1.8
152.05617	1.5
157.06453	2.2
159.08051	12.9
161.09647	3.5
167.07031	4.5
169.06403	1.3
170.07295	3.0
171.07988	2.1
172.05229	2.0
173.05922	1.8
186.02129	2.1
187.07552	9.7
189.09113	5.4
199.07532	1.9
203.06987	2.1
204.07832	5.6
204.09882	1.2
213.30286	1.4
217.05045	3.4
219.10147	3.8
221.29588	1.3
231.10194	3.6
249.11227	100.0
326.36542	1.5
341.11002	1.3
404.92563	1.5
526.39429	1.5
624.86896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.6
67.05488	0.7
69.03418	1.6
69.79638	4.8
71.04971	1.0
73.02910	1.1
73.95620	0.7
79.05482	1.0
81.03410	3.0
85.02911	2.1
91.05501	1.7
97.02907	1.3
98.20761	1.0
107.04971	1.8
112.10944	0.7
115.05451	1.0
117.07048	1.7
123.04463	1.9
127.03962	0.8
128.06230	2.6
129.07001	5.7
131.04933	1.7
131.08578	7.0
133.06444	1.2
133.10155	0.8
136.06190	33.4
137.05927	1.0
141.06978	2.2
143.08557	1.4
144.05705	2.7
145.06523	1.7
150.73587	0.9
157.06483	2.8
158.07190	0.9
159.08041	9.3
161.09622	3.3
167.07025	2.3
168.99098	0.7
170.07310	1.3
171.08060	2.1
172.05237	1.1
173.05933	1.7
175.07558	0.8
187.07564	8.2
189.09079	3.5
193.12265	1.9
199.07545	1.3
201.05582	1.1
203.07001	1.4
204.07759	5.1
205.08621	0.9
216.07788	1.3
219.10197	2.9
221.11803	2.0
230.15457	2.8
231.10236	2.9
248.16306	0.8
249.11234	100.0
250.11682	1.7
251.12775	1.8
267.12363	2.3
267.15872	1.2
285.16754	1.5
420.22360	1.3
438.24078	1.0
456.06216	0.8
582.27417	1.6
600.30280	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	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06087	0.8
69.03408	1.3
70.06590	0.8
71.58521	0.8
72.46788	0.5
81.03382	0.9
84.53206	0.5
85.02906	2.9
91.05476	1.4
97.02892	1.2
105.07003	1.0
107.04938	1.1
109.02854	0.6
109.61234	0.5
115.05437	1.0
117.07001	1.0
121.02769	0.5
123.04403	0.7
128.06213	1.9
129.07011	6.0
131.04926	0.8
131.08566	8.2
133.06479	1.3
133.10188	0.5
136.03963	1.3
136.06169	0.5
137.05920	0.7
141.06993	3.2
143.08546	1.7
144.05688	2.2
145.04965	0.5
145.06462	2.1
146.07193	0.9
147.04427	0.5
151.03882	0.5
153.07001	1.0
157.06490	2.9
159.08052	13.4
161.06024	1.0
161.09624	3.2
163.07599	0.6
167.07111	0.6
167.64537	0.5
169.06386	0.6
169.07661	0.9
170.07234	2.1
171.08025	1.7
172.05156	0.9
173.05988	2.0
174.06859	0.6
175.07542	1.0
181.08701	0.5
185.05914	0.6
187.07545	9.7
189.05452	1.0
189.09103	4.1
190.06224	0.8
191.07024	1.1
198.06828	0.7
199.07527	1.7
203.07050	1.9
204.07826	5.5
205.08568	1.1
206.09338	0.8
216.07838	1.2
217.08704	0.6
218.09300	0.7
219.10135	2.0
221.08043	0.7
221.11710	2.0
231.10121	3.9
234.08789	0.7
237.11266	1.0
249.11218	100.0
250.11559	1.9
267.12222	2.5
287.17188	0.5
600.26093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06087	0.8
69.03408	1.3
70.06590	0.8
71.58521	0.8
72.46788	0.5
81.03382	0.9
84.53206	0.5
85.02906	2.9
91.05476	1.4
97.02892	1.2
105.07003	1.0
107.04938	1.1
109.02854	0.6
109.61234	0.5
115.05437	1.0
117.07001	1.0
121.02769	0.5
123.04403	0.7
128.06213	1.9
129.07011	6.0
131.04926	0.8
131.08566	8.2
133.06479	1.3
133.10188	0.5
136.03963	1.3
136.06169	0.5
137.05920	0.7
141.06993	3.2
143.08546	1.7
144.05688	2.2
145.04965	0.5
145.06462	2.1
146.07193	0.9
147.04427	0.5
151.03882	0.5
153.07001	1.0
157.06490	2.9
159.08052	13.4
161.06024	1.0
161.09624	3.2
163.07599	0.6
167.07111	0.6
167.64537	0.5
169.06386	0.6
169.07661	0.9
170.07234	2.1
171.08025	1.7
172.05156	0.9
173.05988	2.0
174.06859	0.6
175.07542	1.0
181.08701	0.5
185.05914	0.6
187.07545	9.7
189.05452	1.0
189.09103	4.1
190.06224	0.8
191.07024	1.1
198.06828	0.7
199.07527	1.7
203.07050	1.9
204.07826	5.5
205.08568	1.1
206.09338	0.8
216.07838	1.2
217.08704	0.6
218.09300	0.7
219.10135	2.0
221.08043	0.7
221.11710	2.0
231.10121	3.9
234.08789	0.7
237.11266	1.0
249.11218	100.0
250.11559	1.9
267.12222	2.5
287.17188	0.5
600.26093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
67.05494	0.7
69.03432	1.3
69.52123	4.8
79.57842	0.7
85.02901	2.9
86.09729	0.6
91.05469	1.3
91.49032	0.7
92.35954	0.7
97.02874	1.7
105.07028	1.0
107.04960	11.3
108.05291	2.6
115.05456	1.4
117.06974	1.2
127.03904	0.7
128.06189	1.7
129.06987	6.0
131.04926	1.0
131.08585	6.0
133.06526	1.3
141.07007	1.3
143.08553	0.9
144.05698	2.4
145.06454	1.0
146.07193	0.8
157.06479	3.0
159.08058	13.1
161.05992	1.2
161.09616	2.3
167.07018	3.0
169.07614	1.2
170.07266	2.8
171.08047	3.0
173.05992	2.1
175.07475	1.3
185.05885	0.9
186.06755	0.8
187.07532	9.8
189.05437	1.4
189.09132	4.4
191.07086	0.7
198.06702	0.8
199.07436	0.9
203.07001	2.0
204.07832	6.3
216.07845	1.2
219.10152	1.5
221.11713	1.7
231.10144	2.5
237.11075	1.2
249.11212	100.0
250.11613	1.2
267.12241	1.0
319.39337	0.9
346.17618	0.7
355.40433	0.7
431.12814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.03431	1.3
59.04993	0.7
67.05509	4.2
69.03424	0.8
70.85592	0.6
71.04997	1.9
71.33362	1.1
71.33701	0.8
79.05484	2.2
81.03421	2.1
81.07056	4.1
81.38412	0.6
83.04987	0.6
83.08639	1.1
85.02914	0.8
85.06524	0.6
91.05495	2.5
93.07045	2.3
95.04974	1.6
95.08613	1.9
97.02896	0.6
105.07027	2.1
107.08569	1.5
109.10155	1.7
119.08590	1.4
121.10143	2.8
123.04439	0.9
129.07019	0.9
131.08562	1.4
133.10139	1.3
145.10014	0.6
147.11635	1.1
149.09674	1.5
175.11256	0.8
225.14896	0.7
267.15915	1.1
283.15164	16.5
284.15479	0.8
290.87152	0.7
339.17789	10.8
581.34491	0.7
599.34033	100.0
600.34021	4.5
617.97705	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4094
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
55.05509	19.8
55.05756	3.3
55.25874	4.6
56.13950	4.1
57.07078	6.5
67.05501	31.3
69.03432	11.1
69.07057	24.1
79.05513	24.9
81.03417	4.9
81.07047	39.4
83.04952	7.8
83.08645	8.7
84.25900	4.5
91.05479	24.2
93.07043	45.2
95.04961	12.5
95.08614	34.3
97.10176	5.0
105.07031	55.3
107.08587	30.6
109.06511	8.6
109.10167	21.8
115.05468	4.1
117.06998	12.3
119.08585	36.8
121.06500	5.1
121.10143	57.4
123.08074	22.6
123.11733	7.2
126.91529	4.0
128.06180	9.0
129.07004	4.9
130.07788	4.5
131.08582	16.6
133.06422	5.6
133.10097	28.5
135.08115	11.1
135.11674	9.9
137.09642	7.5
139.11180	6.2
142.07793	10.4
143.08565	20.6
145.10161	29.7
147.08025	9.5
147.11667	10.1
148.39388	5.5
149.09608	23.2
149.13243	5.2
151.07553	28.9
155.08546	8.8
156.09349	6.7
157.10138	29.5
159.08040	12.1
159.11708	21.8
161.09631	6.5
161.13350	6.6
163.11131	5.6
165.09122	12.9
167.10669	65.3
169.10127	13.3
171.11682	18.1
173.09642	6.7
173.13274	14.2
175.14731	5.6
177.49176	4.7
179.08644	7.1
180.09296	5.4
181.10207	5.6
183.11667	12.0
185.13255	10.5
187.11198	6.7
187.14803	10.2
189.12755	10.0
193.10094	7.2
194.10800	5.0
195.11662	12.3
197.13269	14.3
199.14819	6.2
203.14319	7.0
207.11700	8.3
207.13654	5.8
209.13281	10.7
211.11246	4.3
211.14795	8.3
215.14159	6.6
221.13426	7.8
221.15329	25.0
225.16374	6.1
233.13341	6.5
233.15315	27.2
235.14806	7.0
259.16998	5.7
281.18970	4.6
391.26428	4.4
486.24921	4.8
563.38977	5.8
566.76709	4.6
581.40167	25.9
599.41254	100.0
599.50500	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	598.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01872	10.8
55.05510	5.7
57.03434	3.9
57.06793	1.5
57.07074	26.7
61.02920	1.4
67.05503	8.6
69.03074	1.5
69.03430	18.6
69.07076	7.6
69.81831	3.9
69.82237	2.0
71.05001	6.6
71.08631	17.4
73.02924	5.0
79.05501	1.8
81.03413	29.3
81.07052	11.8
83.04991	1.2
83.08611	7.3
84.04504	4.0
85.02901	11.3
85.10192	8.5
91.05483	1.8
93.07059	2.7
95.08605	16.1
97.02887	28.3
97.10183	3.1
98.21394	1.8
99.04449	52.1
101.02360	2.7
105.07059	2.7
109.02876	42.8
109.10122	6.5
111.04434	1.5
111.11763	1.1
112.37321	1.1
119.08601	1.5
121.10169	1.1
122.46960	1.1
122.76929	1.0
123.11723	2.7
127.03915	100.0
133.10065	1.7
137.13210	1.2
145.04941	12.0
167.10681	1.3
176.78790	0.9
220.15149	1.0
239.23671	20.5
257.24811	1.8
301.02295	0.9
302.80380	0.9
302.83920	1.1
311.25546	1.7
313.27136	0.9
334.29462	1.3
335.25769	2.3
383.27939	24.8
401.28949	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	598.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	96.4
69.07073	18.2
69.32897	97.8
71.08631	100.0
73.06562	18.5
85.10182	64.8
87.04445	20.3
87.64894	9.3
89.06036	88.3
97.10202	20.8
98.20699	22.0
99.11748	17.0
111.11716	13.0
117.09167	11.9
121.83781	10.4
133.08577	24.4
213.22188	17.3
257.24734	14.7
275.72342	10.5
293.96353	10.3
295.77087	11.5
457.33084	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	599.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01874	1.2
57.03441	0.6
65.80863	0.5
69.79456	3.5
79.05485	0.9
81.03416	0.8
85.02906	2.1
85.41537	0.6
90.97157	0.5
92.44897	0.5
95.04963	1.9
97.02875	1.0
107.04953	100.0
108.05267	1.2
109.02872	0.9
116.55304	0.5
121.02888	1.5
121.06523	0.5
131.04922	1.4
133.06439	0.6
139.03902	0.8
145.06473	1.1
147.04446	1.1
149.06018	1.1
151.03923	1.0
159.04526	0.6
161.05988	0.8
163.03918	1.7
171.04523	0.6
173.06000	1.2
175.03880	2.7
177.05458	1.8
181.04942	1.4
185.06003	1.0
187.03940	1.6
189.05508	2.0
191.03333	0.7
193.05112	2.7
197.05963	0.8
201.05513	1.8
203.06946	0.8
205.04959	4.7
213.05499	1.4
215.07137	0.6
217.04997	4.7
219.06543	1.6
221.04385	1.4
223.05974	1.6
225.05386	1.0
227.07034	0.6
229.04959	2.0
231.02863	0.5
231.06540	2.0
235.06013	2.9
241.04955	1.4
243.06648	1.2
245.07933	0.6
247.06047	4.4
255.06529	0.8
259.05963	7.2
271.05969	3.1
273.07700	1.3
277.07089	1.9
283.06067	1.6
285.07700	1.2
287.09070	0.6
289.07138	1.8
299.09192	1.1
301.07089	3.3
311.09259	1.4
313.07181	2.6
317.10138	1.4
319.07977	0.7
323.09280	1.0
325.07104	2.2
326.07495	0.6
327.08218	0.7
329.10260	3.0
341.10275	4.6
343.08099	1.0
353.10278	5.3
359.10706	0.7
365.10318	3.7
377.10248	2.0
383.11230	7.1
389.10248	1.5
393.09708	0.8
395.11267	9.4
407.11246	6.7
413.12521	3.1
419.11163	5.5
425.12601	3.5
431.13431	8.9
437.12283	0.6
443.13348	2.1
449.12268	5.5
461.12204	3.6
467.13153	2.9
473.12512	1.2
479.13245	3.1
485.14435	2.3
491.13663	1.5
497.14328	5.3
509.14215	1.8
511.73291	0.6
527.15399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01873	7.7
55.05509	49.7
57.03437	17.5
57.07070	2.8
59.04987	5.5
61.02909	5.0
65.03927	3.4
67.05504	100.0
69.03417	5.1
69.07071	11.8
71.01357	3.5
71.04983	4.6
71.32669	1.8
73.02918	5.6
75.04488	2.5
79.05490	22.5
81.03413	11.8
81.07054	32.2
83.01337	1.8
83.04974	12.7
83.08614	19.3
85.02902	20.4
85.06527	3.3
87.04457	10.1
91.03922	1.7
91.05470	13.1
93.07040	12.8
95.04957	6.4
95.08607	13.7
97.02886	9.0
97.06524	5.3
97.10169	32.7
103.03941	8.7
105.07027	5.9
107.04948	5.4
107.08591	15.3
109.06514	3.1
109.10153	71.0
111.04445	2.1
111.08064	4.7
117.07021	4.2
119.08564	8.3
121.06481	1.6
121.10133	4.0
123.08068	1.6
125.09620	47.3
127.03938	1.8
129.84332	1.5
131.08592	2.0
135.11667	6.0
137.09552	3.8
143.10646	6.9
145.10127	6.2
153.12749	13.5
155.10666	6.7
163.11180	14.9
173.09595	2.8
173.10118	2.6
173.11736	39.5
181.12215	7.7
189.11220	2.7
191.10661	4.4
199.13292	7.9
209.11729	9.4
217.14346	6.2
227.12769	11.4
229.14352	54.3
257.13824	16.0
281.57040	1.5
283.15384	10.9
301.16452	26.0
319.17438	10.2
401.25192	2.7
424.13834	1.6
454.07175	1.7
464.78458	1.9
579.97992	1.7
615.04895	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94370	2.9
55.01862	4.1
55.05298	3.1
55.05511	28.7
57.03428	8.1
57.07072	10.0
63.12417	3.3
65.76812	3.3
67.05504	75.0
69.03436	5.3
69.07066	26.1
69.84642	16.3
71.08634	4.9
79.05489	27.4
81.07054	96.8
83.08627	23.9
85.02882	3.2
91.05482	24.8
93.07046	35.4
95.04935	4.9
95.08601	90.9
97.06510	7.4
97.10161	16.9
99.08057	4.2
102.41099	2.9
105.07044	17.3
107.08598	23.8
109.02905	4.6
109.10154	42.7
110.03658	3.4
111.04429	4.0
111.08099	7.2
119.08594	17.4
120.29646	3.0
120.87201	3.0
121.10133	33.7
123.11697	25.1
125.15211	3.4
127.07548	3.4
131.08594	3.9
133.10161	17.3
135.11710	12.6
137.13242	7.4
141.12695	5.4
142.38901	3.0
147.11702	10.1
149.13274	17.8
151.14856	10.5
155.14284	5.5
159.85820	3.0
161.13225	18.7
163.14783	15.7
165.16420	11.2
165.31891	2.7
175.14836	11.1
179.17982	7.5
182.14986	3.4
184.17590	2.8
189.16414	4.9
206.41559	3.4
217.19539	4.0
245.22639	73.8
263.23694	100.0
265.25388	3.9
337.27374	61.9
355.28226	4.9
432.79340	3.7
481.46350	3.7
563.28680	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	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
69.03461	1.8
70.06595	2.5
70.73275	2.5
70.73647	2.1
71.04969	1.1
79.05492	3.3
81.03413	12.2
81.07056	1.5
84.08147	1.4
85.02912	9.4
86.09740	2.0
89.05543	1.1
91.05470	2.0
93.07034	1.3
95.04981	2.9
97.02890	4.0
103.05496	2.1
104.87943	1.3
105.07022	1.6
107.04939	6.0
115.05473	5.0
117.07016	14.9
123.04450	4.4
124.05228	2.5
127.03917	2.6
128.36232	1.2
129.07010	3.7
131.04933	1.9
131.08594	4.1
133.06544	1.6
137.05994	3.5
139.82478	1.4
141.06937	2.1
144.05757	1.8
145.04906	1.8
145.05147	1.8
145.06487	32.7
147.04420	1.4
152.04703	1.9
153.05498	1.7
155.06062	2.9
156.05666	7.2
157.06479	2.2
157.07658	1.9
159.08076	4.3
161.06012	2.8
163.03928	1.6
167.07043	47.8
173.05986	50.6
174.06401	1.4
177.05447	2.1
180.08737	3.1
181.04945	1.2
184.05220	1.4
187.07571	5.1
190.06258	30.1
191.07022	2.8
193.08592	2.0
202.06253	3.1
203.07022	4.9
205.08607	100.0
206.08963	1.9
217.08594	36.8
219.10158	4.3
223.09692	3.3
235.09660	27.7
247.07523	2.0
247.09708	7.0
261.97516	1.2
265.10748	26.1
269.08231	2.1
279.10385	1.6
291.10052	2.7
299.09314	1.7
307.09601	1.7
315.08603	4.2
323.12714	2.0
330.10999	5.0
331.11810	2.7
332.14026	2.5
351.12283	4.7
371.15244	1.6
383.14850	9.7
401.15881	9.1
455.30811	1.2
474.56403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3032
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03956	2.6
55.05508	11.1
57.03433	6.7
64.14740	1.7
67.05505	28.7
69.07059	12.8
70.31230	6.3
70.78864	2.3
79.05489	8.1
81.03416	14.8
81.07050	32.1
83.08616	7.6
91.05484	5.8
93.07049	8.2
95.04927	2.2
95.08601	21.6
97.06541	1.9
97.10179	4.6
98.20859	2.6
98.98462	30.2
99.26215	2.2
105.07036	5.6
107.08602	4.9
109.02882	12.8
109.10143	9.2
119.08562	2.8
119.21944	2.0
121.10107	3.3
123.11696	2.9
129.72176	2.0
133.10129	4.0
135.11726	2.5
147.11766	2.6
155.01027	3.4
163.06120	2.3
175.14908	2.6
243.32332	2.2
261.03595	10.6
263.23730	3.2
301.20087	13.5
319.21182	3.3
335.07343	2.5
337.27341	100.0
342.80624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1812
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01869	10.6
58.22059	7.2
70.72224	12.2
71.01336	7.5
71.05003	8.1
73.67537	6.7
81.03394	6.4
85.02911	23.0
85.06504	7.0
85.87712	6.9
89.80318	7.5
90.80441	6.5
92.74779	7.1
93.03431	10.9
94.88457	7.6
95.08642	8.3
97.02924	14.9
105.03421	7.1
107.04955	22.6
107.08569	10.5
109.02863	10.2
109.06506	9.2
119.04954	14.9
121.02860	12.9
121.06524	10.3
121.10153	7.7
123.04414	15.6
127.03905	12.0
133.06496	11.2
133.10106	10.8
135.04382	22.5
136.07611	12.9
136.19385	7.8
139.03926	12.5
147.04417	29.6
149.06020	8.7
151.03957	14.3
156.90637	6.4
159.04323	9.3
163.03986	9.6
173.06049	14.8
177.01833	13.2
177.05434	10.5
180.76517	7.7
187.03880	12.2
189.01848	20.0
189.05356	7.6
191.03477	12.7
191.14450	9.4
195.02873	32.9
201.05409	10.3
203.03429	12.2
207.02882	33.0
215.03458	12.6
219.02913	80.7
223.02397	8.9
225.03911	21.1
228.66675	7.2
229.04918	23.3
231.02876	40.4
233.04477	23.6
237.03961	22.7
243.02864	28.6
243.06572	11.8
249.03825	23.8
257.04425	14.8
261.03949	100.0
269.04449	14.5
271.06180	11.3
273.03894	37.2
275.05408	9.6
285.04034	39.0
291.04892	19.8
297.03876	10.4
297.07303	10.8
299.65610	7.4
303.04941	23.3
315.04779	9.1
319.65723	8.4
321.06018	18.1
327.04984	38.3
327.08707	26.2
334.38190	7.2
339.07587	35.6
345.06293	14.1
351.08698	12.8
357.06125	9.0
363.07355	23.2
381.09656	24.4
387.07321	11.2
393.09479	23.7
405.08630	31.4
411.10495	11.0
423.09756	19.4
429.11453	22.4
441.10757	25.3
447.10663	18.8
459.12744	13.7
495.12164	9.1
501.09256	8.1
525.13715	8.3
543.14807	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	597.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19909	1.0
67.05494	1.2
68.77035	0.9
68.91872	1.1
69.03432	2.3
70.46176	0.9
70.61359	3.5
79.05465	2.2
81.03425	1.5
81.07063	2.1
85.02903	1.8
91.05489	1.2
92.52551	1.0
97.02876	2.3
107.04959	2.9
107.08620	1.1
108.93770	1.1
109.02836	1.3
109.06506	1.2
127.00025	1.6
127.03751	2.3
137.05959	1.7
145.03496	1.4
149.02089	1.7
151.03912	1.1
155.03148	3.0
161.05911	1.1
163.03932	2.5
167.03194	1.1
167.06981	5.4
174.39635	0.9
176.04541	1.1
181.05008	2.1
191.07076	3.6
193.08597	1.1
201.05219	3.1
203.03952	1.2
216.07584	15.7
217.08336	9.4
221.05170	1.6
227.05402	1.8
263.09091	1.4
287.06119	3.8
299.07355	1.9
301.08777	1.2
317.08472	4.5
341.08603	2.1
359.09457	11.3
385.07431	6.6
403.08426	14.6
493.16754	1.3
511.17996	4.3
553.18921	60.7
597.17859	100.0
598.18005	1.7
616.53503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68446	3.1
55.01859	11.2
55.05511	47.6
57.03439	17.7
57.67162	3.7
59.04993	8.6
61.02921	5.0
67.05505	100.0
69.03413	4.7
69.07059	11.1
71.01362	4.3
71.04984	6.7
71.58965	4.2
79.05491	19.5
81.03423	17.3
81.07059	38.4
83.04970	12.7
83.08617	26.4
85.02916	19.6
85.06556	4.0
87.04490	6.6
91.05471	15.9
91.11473	3.1
93.07030	21.3
95.04961	8.7
95.08611	13.6
97.02883	8.6
97.06500	8.0
97.10157	33.4
103.03934	15.0
103.21864	3.1
105.07031	6.5
107.04990	6.7
107.08599	12.3
109.06448	3.6
109.10152	81.6
111.08091	6.1
119.08550	15.0
121.10153	6.7
125.09622	34.1
129.07018	3.7
131.08536	3.8
137.09657	6.3
143.10620	8.5
145.10101	7.7
153.12761	8.6
155.10683	11.6
163.11215	11.6
171.72101	3.5
173.11743	55.3
174.17130	3.4
181.12363	4.6
193.12303	5.3
199.13290	7.4
209.11693	5.7
217.14359	3.6
227.12718	8.6
229.14333	89.5
247.57935	3.4
257.13818	13.5
283.15433	6.8
301.16425	21.7
319.17514	6.1
367.27594	3.3
423.58453	4.4
578.34283	3.6
588.04230	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	596.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01856	11.1
55.05267	4.2
55.05513	44.1
57.03426	14.3
59.04989	8.4
61.02919	7.2
67.05506	100.0
69.03426	15.6
69.07056	14.9
71.04981	6.0
71.59419	3.1
72.98663	3.2
75.11446	3.0
79.05498	28.6
81.03417	28.2
81.07047	38.7
83.04974	9.9
83.08610	20.5
85.02905	27.9
85.06516	6.7
87.04459	10.9
91.05460	14.9
93.07047	19.6
95.04967	12.4
95.08598	19.2
97.02910	20.6
97.06522	7.1
97.09684	2.7
97.10178	26.7
99.04443	4.7
102.57612	2.8
103.03951	8.9
103.68246	2.9
105.07002	6.8
107.04938	7.1
107.08606	18.5
109.02869	3.4
109.10160	78.6
111.04432	4.4
111.08075	9.0
117.07034	4.8
118.49725	4.0
119.08586	12.6
121.10138	10.7
123.08024	4.2
125.09628	40.8
127.03925	6.3
129.06982	3.4
130.72487	3.1
131.08575	6.5
133.10069	7.3
135.08118	3.2
135.11694	8.8
137.09619	4.0
143.10725	7.7
145.10104	7.7
151.84138	3.1
153.12759	7.6
155.10638	5.3
157.10117	4.4
163.11116	15.1
173.09628	4.0
173.10095	3.3
173.11746	45.4
175.11218	3.9
181.12233	7.3
191.10663	4.5
193.12306	6.0
195.80089	2.9
199.13342	10.9
209.11821	14.9
217.14201	3.4
227.12787	13.6
229.14331	54.0
257.13898	32.9
283.15311	8.1
299.14825	4.9
301.16553	25.9
441.63022	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	596.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15546	1.8
53.03944	5.3
55.01876	8.6
55.05513	48.2
57.03439	21.5
57.07080	2.2
59.04991	5.4
61.02917	4.8
63.48184	1.5
65.03941	2.1
67.05506	100.0
69.03433	7.8
69.07066	11.5
71.01365	2.6
71.04984	7.2
71.32683	3.4
73.02927	3.3
79.05495	25.8
81.03424	17.3
81.07059	34.3
83.05000	10.5
83.08624	17.3
85.02902	23.2
85.06557	2.9
87.04476	9.3
91.03941	2.0
91.05479	13.0
93.07046	14.0
95.04954	7.0
95.08626	14.5
97.02905	9.3
97.06541	5.5
97.10166	35.3
103.03944	11.3
105.07039	5.3
107.04951	4.5
107.08597	18.9
109.06535	1.8
109.10160	79.6
111.04453	4.7
111.08103	3.3
113.05986	1.9
117.07011	4.5
119.08601	9.5
121.06499	2.0
121.10131	3.5
123.08047	3.6
125.09638	42.1
129.07059	3.8
131.08565	5.2
133.10120	3.7
135.11681	9.4
137.09619	3.6
143.10709	7.7
145.10146	7.7
147.11659	1.8
149.09628	2.3
153.12746	12.8
155.10663	7.2
163.11232	13.2
173.09605	2.8
173.10118	2.3
173.11751	40.5
175.11162	2.2
181.12183	9.5
189.11205	1.8
191.10678	7.4
193.12244	3.3
199.13332	10.4
209.11713	8.4
210.81987	1.7
217.14336	4.8
227.12711	11.1
229.14362	60.0
230.67758	1.8
245.13742	2.1
257.13843	21.0
283.15430	12.3
301.16431	32.1
319.17603	8.4
399.23862	4.9
452.69165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24984	1.6
53.03955	2.3
55.05510	8.4
57.03438	9.7
67.05505	34.2
69.07072	9.3
69.61396	12.8
70.41078	1.5
71.04995	2.0
71.08600	1.9
74.71946	1.6
79.05497	18.1
81.03415	15.1
81.07056	36.0
83.08617	4.8
85.02911	4.0
91.05465	10.8
93.07042	23.8
95.04960	1.9
95.08610	25.4
98.98465	41.6
105.07008	7.1
107.08609	13.5
109.02866	12.3
109.10136	9.3
119.08590	5.1
121.10136	6.8
123.11710	3.0
127.03899	5.1
131.08543	4.7
133.10130	4.4
135.11690	5.2
145.10178	2.2
147.11632	2.2
149.13245	4.0
155.01028	2.2
159.11646	2.4
161.13223	3.3
173.02037	2.1
176.75235	1.9
210.66583	1.6
243.21021	3.3
261.03668	14.4
261.22110	5.4
317.24667	3.3
335.07233	3.5
335.25793	100.0
336.26016	4.3
400.17538	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05500	10.7
57.03141	2.9
57.03431	7.1
57.07074	5.3
65.03946	2.7
67.05508	63.6
67.32123	2.4
69.03456	2.7
69.07053	11.0
69.37248	2.4
69.84129	7.2
69.84550	9.9
73.02934	3.6
74.36390	2.4
79.05494	37.9
81.03413	4.6
81.07056	63.5
81.30708	2.9
83.08629	7.8
84.08157	6.1
91.05476	24.2
93.07044	52.5
95.04948	4.8
95.08606	64.5
97.06523	2.7
97.10178	5.0
98.20835	3.8
105.07035	18.3
107.08598	29.3
109.02884	4.2
109.10150	26.8
110.91666	3.1
117.07053	7.6
119.08591	13.6
121.10149	29.6
123.11731	15.9
125.09657	3.1
127.03888	4.1
131.08562	21.9
133.10126	16.5
135.11697	23.9
137.13229	5.7
145.10133	16.3
147.11684	12.1
149.13254	22.0
151.11162	3.0
159.11714	15.6
161.13234	13.6
163.14845	18.5
173.13252	10.7
177.16374	7.3
179.14407	6.1
187.14827	9.7
191.00137	2.9
201.16388	5.3
219.92830	2.6
243.21109	39.2
261.22153	100.0
273.13885	3.2
279.51132	3.0
335.25793	34.0
345.23880	3.1
353.26920	33.8
369.24408	3.6
561.27209	9.0
597.55292	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	595.1654
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
54.25491	0.3
55.05491	0.4
57.03418	0.7
62.83626	0.3
67.01857	0.8
68.99773	0.5
69.03423	0.9
70.06593	0.4
71.04990	3.4
71.58546	0.6
81.03408	0.5
85.02901	5.2
85.82493	0.3
86.09683	0.6
91.05470	0.4
95.08584	0.4
97.02892	1.1
107.04942	0.9
109.02897	0.7
110.07121	0.3
110.85528	0.3
121.02852	1.0
123.04395	1.0
125.02145	0.4
127.03921	1.0
129.05463	0.8
135.04428	1.7
135.87840	0.3
137.02339	0.7
137.05920	0.4
139.03877	0.8
140.07004	0.4
145.04961	0.5
153.01823	4.2
161.02368	0.4
163.03947	0.4
171.02895	1.0
177.05394	0.4
178.05005	1.1
179.03453	0.4
179.05203	0.8
206.04376	1.6
207.04823	0.9
241.04807	0.4
270.05148	0.4
271.05957	2.9
283.06009	2.9
284.06793	2.3
285.07547	0.6
287.05478	100.0
288.05774	2.3
295.05978	2.5
297.07520	0.8
309.07480	0.6
313.07074	7.0
323.09186	0.7
337.07288	2.0
338.09430	0.4
351.08429	0.4
355.08258	0.4
367.08212	0.7
397.09094	1.4
415.10245	2.0
433.11328	5.8
449.04474	0.6
449.10742	10.2
450.10977	0.3
595.16046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
55.01875	0.5
57.03423	0.8
58.99582	0.4
61.02918	1.0
63.61200	0.4
64.42128	0.4
67.05496	1.1
69.03440	2.3
69.07050	0.6
69.45268	1.1
69.45688	2.9
70.06598	2.1
72.85896	0.4
76.02217	1.3
79.05488	0.6
81.03416	1.8
81.07025	0.8
84.04503	0.5
85.02428	0.7
85.02911	8.7
86.09721	0.5
91.05501	0.8
93.07040	0.8
97.02886	2.0
98.20785	0.9
99.04439	0.9
105.06997	0.5
107.04983	0.6
107.08601	0.5
109.02883	1.1
111.04445	0.4
116.01669	1.2
119.04953	1.4
121.02873	9.8
123.04474	0.5
127.03925	2.4
127.08672	0.6
138.01517	0.4
145.02827	0.9
145.04979	1.4
160.05238	0.4
162.02243	0.5
163.03920	1.5
165.01898	1.2
167.03392	1.0
167.07086	0.8
171.02852	1.1
177.05557	0.6
179.03394	0.4
183.02863	1.2
187.03918	0.6
191.03375	0.8
195.02879	2.0
205.05016	0.7
213.05435	1.7
217.04950	1.6
219.02853	0.5
227.07054	0.9
228.07745	0.5
239.07158	0.5
243.06546	1.6
255.06561	2.6
256.07306	4.8
258.05276	1.3
259.06049	1.3
261.03937	1.5
267.06454	0.6
268.07413	0.5
269.17487	0.9
270.05115	0.9
270.17892	0.6
271.06024	19.7
279.06351	0.6
281.08249	0.6
283.06024	32.0
284.06793	24.8
285.07535	2.8
286.04749	2.9
295.06021	11.5
297.07599	6.2
301.07068	12.4
307.06027	1.0
308.06693	1.5
309.07620	5.1
311.05585	1.0
313.07071	100.0
314.07361	2.6
323.05536	1.1
323.09100	7.5
325.06946	2.3
327.08804	0.6
337.03885	0.3
337.07053	16.4
343.08069	3.0
349.07135	1.2
351.08530	2.5
355.08078	1.4
367.08118	5.5
379.08240	4.4
397.09195	11.2
415.10251	19.9
416.10834	0.8
433.11331	36.4
434.11292	0.7
448.21823	1.4
463.12042	1.0
475.12430	6.2
595.16571	11.5
595.26434	0.5
599.23193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01873	1.7
57.03445	2.2
69.61565	2.6
69.61973	8.2
85.02917	7.4
89.06015	1.7
91.05465	1.7
97.02853	1.6
103.03950	2.6
103.05458	1.5
107.04964	2.4
109.02866	2.4
119.04935	7.0
121.02862	33.8
121.81774	1.4
123.04430	5.2
123.11720	2.1
127.03906	2.9
131.04935	2.4
135.04425	2.9
137.05956	2.0
139.03833	2.0
145.02840	3.7
147.04437	2.4
151.03957	1.5
155.03371	1.7
161.06026	3.2
163.03926	4.4
166.21123	1.9
175.03964	2.7
176.01030	2.1
177.05573	1.6
179.03391	3.5
181.04956	2.5
189.01830	6.5
191.03406	5.1
195.02898	9.3
203.03401	9.0
205.04965	3.4
207.02878	8.3
209.04231	2.0
215.03365	2.7
217.05000	4.3
219.02919	8.0
221.04404	4.6
227.03349	2.4
229.05133	3.7
231.02777	1.8
233.04489	2.9
241.05139	1.8
243.06577	1.7
255.02831	1.5
257.04453	3.3
267.06409	2.6
268.07440	2.9
271.05997	3.6
273.04044	2.8
279.06519	6.1
280.07361	2.8
281.08124	4.3
283.05957	8.7
284.06778	2.1
285.03876	2.7
291.06354	2.7
293.08051	4.2
294.05185	17.9
294.08408	2.6
295.06000	72.8
296.06766	7.0
297.07471	9.9
305.08066	2.5
307.05997	53.2
307.09531	3.4
308.06754	18.3
309.07535	14.3
313.07025	9.1
319.06091	4.5
319.09503	2.2
320.06903	2.9
321.07568	31.0
322.08200	10.4
323.05664	2.8
323.09125	6.3
325.07047	100.0
329.08124	2.1
333.07404	8.4
334.08249	3.4
335.09079	16.8
336.06253	4.0
337.07028	60.5
339.08841	3.2
345.07523	3.8
347.09247	12.1
349.07031	35.0
351.08694	24.1
355.08124	20.9
357.07278	2.1
361.07034	18.6
361.11115	2.2
363.08566	8.8
365.10226	10.6
367.08078	4.5
373.07114	7.6
375.08704	12.2
377.06430	2.1
379.08099	52.7
385.07056	5.5
387.08905	2.6
389.10187	4.1
391.08090	32.0
401.10150	4.9
403.08026	23.7
409.03729	2.3
409.09164	47.1
415.08231	3.6
417.09576	2.5
421.09109	29.0
427.10303	45.0
431.11276	2.0
433.09705	3.1
439.10245	30.6
445.10495	6.1
451.09549	1.9
457.11307	79.7
463.10294	7.0
475.12366	13.8
481.11279	21.2
487.10242	2.2
493.11432	4.4
499.12369	17.6
505.11075	6.5
511.12305	19.7
523.12457	21.8
529.13293	6.8
541.13452	21.1
559.14392	20.7
577.15588	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	595.1654
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
57.03436	1.2
61.02947	1.0
69.03430	5.2
70.95010	2.2
77.65524	0.8
81.03403	2.6
85.02905	13.4
94.65813	0.7
97.02901	3.2
100.10375	0.7
109.02891	1.8
119.04955	3.7
121.02861	13.6
127.03893	2.0
145.02872	1.7
145.04977	2.2
153.01805	2.0
163.03967	1.2
165.01859	2.3
167.03450	1.6
171.02946	0.9
177.01880	1.0
183.02870	2.3
187.03955	1.0
191.03371	1.0
195.02908	4.7
203.06862	1.1
206.59578	0.9
211.07463	1.2
213.05522	1.4
217.04935	1.9
243.03026	1.2
243.06429	1.4
255.06564	3.9
256.07251	5.8
259.05981	1.3
261.03937	1.8
267.06607	2.5
270.05258	1.5
271.06012	33.7
279.06461	1.1
281.08038	1.3
283.06009	47.0
284.06787	26.5
285.07581	3.6
295.06033	21.4
295.09393	1.3
297.07562	8.8
307.05988	1.7
308.06909	1.2
309.07556	7.4
311.05615	1.4
313.07059	100.0
314.07327	1.4
316.14005	0.8
323.05554	1.6
323.09119	9.2
325.07001	4.1
337.07077	19.0
337.92023	1.0
343.08130	2.7
349.07013	1.8
351.08597	3.6
355.08167	2.5
367.08145	6.4
379.08093	5.4
397.09244	13.6
415.10229	21.5
433.11322	75.3
434.11923	1.4
475.12134	5.3
569.68567	0.9
595.16394	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	595.1444
Annotation	Catechin-(4alpha->8)-gallocatechin
Peak:m/z	Relative Intensity
52.60310	1.4
55.01860	4.7
65.03938	2.1
65.93954	1.4
66.42976	1.4
67.05475	1.6
68.99478	1.4
68.99785	8.4
69.25796	3.8
69.26202	12.3
81.03413	3.5
89.03901	2.1
91.05479	3.1
93.03387	1.6
95.04950	5.5
97.02895	3.0
107.04972	4.8
109.02866	4.5
111.00813	3.3
111.04446	5.0
115.05517	1.7
117.03425	1.5
119.04953	3.8
121.02856	3.5
123.04428	64.5
124.04819	1.6
125.02360	6.7
127.03915	100.0
131.04956	2.2
135.04411	41.9
137.02338	4.2
139.03899	84.1
140.04245	2.0
141.06927	1.9
143.03404	12.9
145.06432	2.0
146.80383	1.4
147.04396	14.0
149.02348	6.7
149.05917	1.5
150.03192	1.7
151.03877	15.5
153.05507	1.9
155.03410	7.5
157.06528	2.9
159.04404	3.1
161.05991	4.1
163.03908	50.5
164.96460	1.4
165.05521	7.3
167.03398	8.3
169.06436	1.9
171.04477	3.0
173.06035	3.1
175.03938	6.2
177.05457	5.1
179.03415	17.3
181.04913	3.8
183.02913	2.0
185.06021	3.0
187.03954	7.2
189.05528	7.7
191.03363	10.7
193.04967	6.2
197.06007	3.9
199.03984	1.8
201.05489	6.3
203.03433	12.1
203.07039	3.4
205.04961	3.7
207.02866	3.5
209.04494	1.7
213.05475	5.4
215.03368	2.2
215.07031	1.7
217.04956	6.8
219.02892	2.3
225.05524	2.1
229.05005	8.9
231.02866	3.0
231.06567	2.9
233.04471	5.6
241.04990	4.2
243.06604	4.1
245.04445	17.0
247.05940	16.3
249.03918	2.9
255.06638	2.5
257.04370	12.5
258.05576	1.5
259.05994	14.1
261.03922	4.7
263.05502	4.8
269.04489	3.2
271.06003	12.8
273.03885	7.7
274.04498	2.0
275.05518	12.2
283.05957	5.4
285.03979	3.3
287.05493	36.9
289.07016	9.0
291.05026	9.2
291.08542	5.6
299.05444	11.2
301.07025	7.0
303.04916	13.0
305.06699	3.4
315.04886	3.2
317.06677	5.1
329.07056	1.8
336.78473	1.6
407.07675	4.9
409.09235	6.7
425.08701	22.4
427.10300	3.5
443.09799	2.2
525.23956	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.5
55.05511	19.7
57.03434	8.5
61.95826	2.6
62.93991	3.4
63.68212	2.8
64.77905	2.5
65.03978	3.4
67.05506	31.5
69.03433	16.6
69.07063	8.5
70.84243	7.6
71.05006	5.6
75.25536	2.6
79.05502	28.9
81.03424	62.1
81.07050	31.2
83.04994	7.5
83.08624	18.8
85.02906	7.5
85.06519	4.2
91.05462	27.0
93.07027	23.8
95.04973	28.6
95.08611	15.1
97.02889	4.3
97.06506	3.7
97.10165	17.9
105.01855	3.5
105.07030	25.1
106.02933	8.2
107.04941	16.5
107.08601	15.9
109.06515	9.4
109.10168	12.4
111.04488	4.8
111.08115	3.9
117.07039	8.2
117.34673	3.0
119.08589	17.5
121.06490	8.0
121.10143	11.9
122.06052	5.7
123.04479	3.7
123.08088	4.6
125.09625	20.0
127.03956	4.3
129.07022	7.2
131.08575	12.9
133.06509	8.9
133.10141	9.8
135.08084	5.3
135.11671	4.9
143.08623	4.2
145.06477	8.5
145.10130	8.1
147.08043	5.9
147.11681	9.4
148.03932	27.3
149.05948	2.8
149.09627	8.8
157.06531	4.4
157.10126	8.7
159.11678	4.3
161.09598	3.3
169.10191	3.2
171.08072	3.2
171.11693	2.8
175.11212	9.5
189.11226	5.4
193.12167	13.5
197.09743	3.8
202.04999	12.1
205.12103	3.4
219.13792	4.3
227.12782	5.1
237.12750	3.6
260.71231	2.9
267.15918	48.6
302.77289	3.1
349.21725	7.0
367.22638	24.4
385.23706	35.5
403.24792	12.4
441.26144	11.8
459.27411	100.0
477.28455	72.0
491.30035	10.8
509.31073	4.9
594.26959	56.6
595.29468	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	594.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.04778	0.9
54.17812	0.7
55.05510	1.3
58.99585	1.3
65.52718	0.6
67.05511	2.5
69.03427	1.6
69.07064	1.4
70.06591	100.0
71.06887	0.9
71.52869	0.6
76.02222	4.6
79.05496	1.4
81.03399	0.7
81.07055	3.7
82.06577	0.8
83.04979	1.3
83.07388	1.6
83.08609	0.8
84.04532	1.8
85.02929	1.1
86.00664	1.5
86.09700	23.4
86.99091	1.1
88.02190	1.2
88.57587	0.7
91.05469	8.5
93.07062	3.1
95.08575	1.2
97.01116	1.9
97.02919	0.8
97.06504	1.0
97.07685	0.8
101.85959	0.7
103.05482	1.4
105.03394	0.7
105.07046	1.8
107.08611	2.3
109.07644	3.8
111.02679	1.8
116.01658	3.7
118.06537	12.4
119.04919	1.6
119.07349	1.4
120.08120	7.6
121.64655	0.8
123.02744	0.7
123.04436	0.9
124.08767	1.7
125.07140	1.9
127.03921	0.8
127.08678	34.9
129.06609	1.1
130.06552	1.3
131.04965	1.0
131.08578	1.3
133.10110	1.1
135.11661	1.2
135.42081	0.8
136.07584	5.6
136.08505	0.9
137.06041	1.0
137.07089	7.4
138.07875	11.3
144.01167	1.3
146.05998	24.2
147.04451	1.2
152.07057	0.8
152.08221	2.0
153.08931	3.5
154.09740	1.3
155.08131	11.2
159.11838	1.2
162.02260	3.7
162.05582	1.0
167.08597	0.9
171.46567	0.7
171.89003	0.7
172.11235	1.5
174.12798	1.6
177.12785	1.2
179.04836	4.2
182.08119	3.7
194.09250	1.5
195.13800	0.9
196.76807	0.7
197.07159	1.2
197.10767	0.9
199.12321	1.8
211.12411	1.1
215.11923	1.1
217.13319	1.3
224.16084	1.1
225.10223	2.3
226.13013	0.7
231.14929	6.2
235.11659	0.8
236.10834	1.4
243.11368	1.0
252.14149	1.5
254.12878	10.3
256.14481	8.6
259.14432	14.2
269.17435	3.6
270.11292	1.3
270.15247	1.2
271.06055	0.8
274.15475	1.5
275.14047	3.4
282.12396	16.2
295.16565	10.5
300.13416	58.7
301.13922	2.0
306.46997	0.7
321.14606	1.8
383.19702	4.4
395.19632	0.8
413.21829	1.1
429.20758	2.5
440.21555	0.9
447.21548	9.3
465.22952	0.9
481.21118	1.8
501.22369	1.3
519.23981	2.3
576.26831	2.1
594.28906	6.9
595.29779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82827	0.4
70.77951	1.9
72.97484	0.6
95.60330	0.5
148.11595	0.6
225.79634	0.5
256.39243	0.5
328.93170	0.5
330.23978	0.5
388.17270	0.8
389.17593	1.3
401.17581	0.6
402.18555	1.1
403.19391	2.9
404.19992	1.1
405.20758	1.6
416.20218	0.9
417.21313	4.0
418.21494	1.5
419.22238	4.5
430.18033	2.0
431.18234	8.6
431.23541	1.0
432.19440	2.1
433.24069	7.5
434.24683	1.2
445.20029	10.8
446.20911	4.4
447.21423	3.6
459.21552	4.7
460.22562	13.4
461.23251	10.8
473.23788	2.5
476.26007	0.8
477.22052	0.6
487.25385	0.9
489.26736	0.6
491.24362	0.9
492.25644	0.9
505.21652	4.9
518.23401	1.3
519.24084	0.8
527.41290	0.5
533.25519	42.8
534.25873	1.7
538.25983	0.6
547.27155	0.6
565.28387	0.9
593.27576	100.0
594.27313	2.7
623.71118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.275
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.45297	0.4
61.96745	0.3
70.85545	0.7
70.85863	0.5
78.71244	0.4
106.53271	0.4
141.89876	0.4
150.60345	0.3
355.08420	0.5
387.15805	0.4
388.16687	0.6
389.17761	0.9
390.18649	0.5
401.17764	0.6
402.18216	0.8
403.19257	2.5
404.19849	0.8
405.20816	1.5
415.19659	0.5
417.16318	0.8
417.21503	2.8
418.21484	1.1
419.22321	3.0
430.17883	1.2
431.18201	7.6
432.19476	1.6
433.24203	5.0
434.24567	1.4
434.51608	0.4
444.19095	0.4
445.19760	6.1
446.20642	3.6
447.21765	4.0
459.21466	3.2
460.22546	11.1
461.23218	9.0
462.23993	0.8
473.23419	2.2
474.23965	0.6
476.25790	1.1
477.22348	0.8
487.25116	1.4
489.26608	0.9
491.24664	0.7
492.25391	1.6
501.73050	0.5
505.21957	6.6
518.22852	0.6
519.24115	1.0
533.25470	26.1
534.25818	1.6
550.25903	0.5
564.23193	0.6
565.27930	0.9
593.27557	100.0
594.27673	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03937	0.9
55.01863	1.3
55.90597	0.5
61.86346	0.5
65.03941	1.1
67.01881	0.8
67.05508	0.6
68.99789	4.8
69.03400	0.5
70.22666	1.9
70.23034	1.0
79.05480	2.0
81.03423	2.9
85.02917	1.5
89.03908	1.0
91.05482	0.7
94.04237	0.7
95.04973	1.3
97.02869	0.8
99.04461	1.2
105.03384	0.6
105.07024	0.7
107.04961	3.1
107.85705	0.5
109.02874	3.9
110.05491	0.5
111.00776	2.6
111.04432	2.9
115.05405	0.8
117.03431	0.9
119.04945	1.6
119.08572	0.7
121.02919	1.1
122.03629	1.7
123.04430	22.8
127.03918	100.0
128.04231	0.8
131.04897	1.9
135.04416	31.4
137.02361	1.9
137.05978	37.3
139.03902	60.1
140.04265	1.1
141.06943	1.0
143.04941	0.7
145.02834	0.8
145.06500	1.1
147.04428	8.1
147.11671	0.9
149.02310	3.9
149.05988	2.9
151.03905	6.3
152.04208	0.5
153.01846	1.1
155.04944	1.0
159.04413	2.8
161.05949	2.6
163.03911	34.1
164.04318	0.6
165.05504	1.9
167.03371	6.2
169.06544	2.1
173.05968	2.8
175.03932	4.1
177.05469	5.7
179.03464	3.3
179.07040	2.4
181.04984	0.5
181.06557	0.5
185.05922	1.7
187.03883	6.2
187.07574	1.1
187.27400	0.6
189.05516	2.2
191.03383	9.7
193.04961	3.9
197.06084	3.0
201.05467	5.7
202.12062	0.6
203.03404	8.4
203.07051	2.0
205.04997	2.5
213.05540	1.2
215.03409	1.8
215.07057	2.1
217.05063	1.6
225.05525	1.2
229.04976	6.3
231.06598	1.4
233.04518	3.9
237.05473	0.6
241.04964	1.5
243.06516	4.0
245.04456	6.1
247.06027	16.0
251.05557	1.5
253.04984	1.6
255.06461	1.5
257.04483	9.6
259.06018	7.6
261.07794	0.6
269.04443	2.8
271.03061	1.0
271.06012	16.2
275.05493	14.0
275.55420	0.6
283.06067	6.9
287.05508	25.9
289.03873	1.0
289.07031	12.0
295.05835	0.6
299.05682	3.3
299.08893	0.8
301.07074	11.8
302.07645	0.6
305.10208	8.4
311.05569	0.7
313.06796	0.7
317.10278	1.2
360.75549	0.6
409.03821	0.7
409.09174	13.8
423.10889	5.4
425.12350	1.9
427.10464	3.3
439.09982	0.8
441.11697	0.7
449.12320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01857	1.1
57.03432	0.3
58.19542	0.3
61.02929	0.3
62.20168	0.3
65.03953	0.3
67.05489	0.4
69.03428	0.9
69.50033	1.4
69.50451	0.8
70.06599	0.3
77.03957	0.3
79.05483	0.8
81.03400	1.1
81.07030	0.7
85.02887	0.9
91.05478	2.6
93.07027	0.6
95.04925	0.4
97.02879	0.6
98.21455	0.5
99.04424	0.3
103.05463	0.6
105.01869	0.4
105.07026	4.1
107.04966	0.8
109.02876	0.5
115.05463	0.3
115.16953	0.3
117.07007	0.6
119.04915	0.9
119.08576	2.0
127.03918	0.9
128.06207	1.6
129.46559	0.2
131.04967	0.4
131.08539	0.5
133.06485	9.0
133.10100	1.3
135.04402	1.3
143.08571	2.4
145.05020	0.3
145.06464	0.5
146.07277	0.5
147.04405	13.0
147.08043	27.1
161.09637	3.4
171.08043	7.0
174.06737	1.2
189.09102	100.0
189.58733	0.3
190.09528	1.3
191.10672	0.4
207.10208	1.3
223.07626	0.3
231.10033	0.3
255.10214	0.6
307.90936	0.3
309.14804	3.1
410.26202	0.3
423.73230	0.3
590.59778	0.3
592.34900	1.0
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
67.05505	1.4
68.99795	3.4
69.03442	1.2
69.07062	1.9
69.46281	6.5
79.05484	3.6
81.03436	2.5
81.07056	4.6
82.09495	0.8
84.04571	0.9
85.02908	1.2
91.05488	1.9
93.07073	1.7
95.04967	2.4
95.08624	1.2
97.02889	1.4
98.71251	0.8
102.75053	0.9
105.01852	1.2
105.07013	1.2
107.04942	2.8
109.02884	1.9
113.79831	0.8
115.28814	0.7
119.04955	1.2
119.08625	1.1
121.06475	3.8
123.04425	11.4
127.03931	1.7
130.13246	0.8
131.04944	1.1
133.06493	1.8
135.04419	71.1
137.05984	4.5
145.05022	0.9
147.04420	2.9
147.08109	2.5
149.05981	20.5
149.07117	1.3
153.05476	0.8
161.06013	0.9
189.09102	12.3
191.10678	100.0
192.11037	1.6
194.71448	0.9
201.09108	0.8
207.10182	0.9
271.09741	6.6
327.15964	4.0
435.90320	0.8
439.15894	1.3
592.35724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22256	0.8
55.05499	0.8
57.03444	0.9
67.05481	1.9
69.03420	1.7
69.94449	4.7
79.05476	1.8
81.03406	2.6
81.07053	1.5
85.02901	4.1
87.00842	1.2
88.99874	0.8
91.05470	1.2
92.05822	0.8
93.07092	1.1
95.04978	1.2
95.88201	0.7
97.02892	1.9
99.04409	1.0
103.05460	1.0
105.01888	1.0
105.07033	10.8
107.04958	2.4
107.08598	0.9
109.02846	1.4
109.10209	0.9
118.06525	1.0
123.04433	4.5
127.03941	2.9
127.05219	0.8
133.06491	43.3
133.10193	1.0
133.83986	0.8
134.06837	1.2
135.04411	19.7
139.03905	1.3
147.04404	2.9
147.08049	6.9
147.99547	0.9
151.03935	1.9
161.09637	2.4
171.08083	1.9
177.05344	0.9
189.09108	26.4
191.19652	0.7
207.10164	100.0
208.10403	1.6
222.26387	0.8
230.15343	4.2
250.53189	0.8
327.15988	1.2
346.16205	1.2
592.34863	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	592.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.75283	0.9
67.05502	1.9
68.99814	1.6
69.03424	1.8
69.07063	1.8
71.59154	1.5
73.02892	1.0
73.19871	0.9
79.05503	6.4
81.03404	1.9
81.07063	2.6
83.08606	1.2
85.02911	4.4
86.88967	1.0
87.00859	1.4
91.05482	3.3
93.07069	1.2
94.70814	0.9
95.04969	2.5
97.02902	1.3
99.04480	1.0
103.05463	0.9
104.21685	0.9
105.07005	1.5
107.04982	3.9
107.08605	1.0
117.07014	1.1
119.08601	1.4
121.06540	3.5
123.04433	4.7
127.03883	2.2
133.06509	2.0
135.04420	92.8
136.04828	2.4
137.05980	4.7
147.04413	2.8
147.08057	4.0
149.05978	18.5
153.05461	1.1
161.06001	3.9
165.05402	1.0
189.09088	10.4
190.09517	1.7
191.10678	100.0
192.11035	1.4
207.10211	7.6
208.10527	3.7
217.07974	0.9
217.12201	1.3
226.28337	0.9
247.71210	0.9
270.21848	1.0
271.09683	2.6
299.13885	1.1
592.34668	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	591.2599
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
70.19086	3.3
130.91949	1.2
155.09895	1.0
166.20584	1.0
172.81335	1.1
216.43832	0.9
415.19217	4.6
416.19910	2.5
429.20825	7.9
430.21451	4.3
433.24054	1.3
443.22705	2.3
444.23859	6.1
445.24277	5.2
457.20041	1.4
458.25229	1.7
459.20911	2.4
459.26453	2.3
461.23026	1.1
471.21890	1.8
472.22766	4.0
473.23508	6.8
474.24188	3.0
485.23306	1.6
487.24896	18.8
489.22849	2.0
503.24619	1.7
515.24261	1.1
518.23474	1.3
531.23828	12.0
532.24567	3.0
558.79974	1.4
568.44922	1.1
591.26007	100.0
592.26636	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	592.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
55.01865	9.5
55.05500	2.7
57.03436	15.9
58.59074	1.6
58.68214	1.3
59.04990	2.7
60.04515	5.8
61.02913	5.3
65.03940	1.7
67.05509	1.7
68.99781	3.3
69.03426	77.6
70.39329	2.8
70.39746	4.9
71.01335	1.9
71.04979	4.0
73.02908	7.3
81.03416	36.7
83.01330	2.0
83.04975	9.3
85.02902	89.3
87.00301	2.1
87.00828	37.3
87.04462	17.7
91.03953	3.2
91.05468	3.0
92.07605	1.6
95.04950	1.4
97.02888	100.0
99.04454	18.2
103.03942	2.0
103.05453	3.5
105.01865	49.6
105.07014	2.6
107.04944	8.2
108.04478	4.3
109.02881	39.7
111.04434	8.4
115.03927	31.0
117.01852	3.5
117.05492	1.5
121.06497	2.5
123.04412	2.9
125.02317	4.3
126.05492	3.1
127.02959	3.4
127.03914	65.5
129.01823	3.1
129.05463	4.1
133.04987	17.3
135.04417	1.5
135.08009	4.6
139.03885	11.3
145.04953	39.8
145.06201	2.4
145.06467	1.7
147.02950	2.8
147.04140	1.4
149.05971	2.4
150.07616	11.1
151.03867	3.0
154.06235	23.9
157.04973	1.8
159.02902	16.3
163.07536	21.4
167.06967	1.9
177.05450	9.0
183.02986	1.9
189.03894	3.4
189.71327	1.4
195.10172	72.2
201.03938	2.8
205.04935	6.3
213.03905	8.9
215.05559	1.6
219.10138	1.7
223.06013	6.9
231.05005	16.0
241.07063	8.7
248.07715	4.3
249.06003	3.9
266.08646	3.4
291.12161	1.9
301.09097	2.7
303.12045	1.8
309.06039	5.4
327.07135	13.8
345.08151	13.3
363.09335	3.4
571.30792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	1.0
55.05494	1.1
57.03421	1.2
61.02920	3.8
61.33646	0.5
67.05502	1.5
69.03423	3.0
69.30783	0.4
70.06570	0.8
70.23659	2.0
71.04990	0.6
71.71270	0.4
71.89447	0.4
73.02919	2.1
79.05478	1.5
81.03055	0.5
81.03434	5.5
81.07053	2.0
83.01089	1.5
83.04977	1.3
83.08649	1.0
84.64845	0.5
85.02908	6.5
91.03933	2.4
91.05489	2.3
93.07041	0.7
95.01086	3.4
95.04979	2.9
96.01871	1.2
97.02895	4.8
99.04456	0.8
100.40525	0.5
101.02398	0.6
103.03965	0.6
105.07021	2.0
107.04968	1.0
107.08601	1.1
109.02888	1.8
109.06531	0.8
111.04412	0.7
111.08097	0.6
112.01339	1.0
113.02132	3.3
119.04939	1.4
119.08588	1.3
123.04438	2.1
127.03944	3.0
129.07027	1.0
131.04935	1.6
131.08551	0.5
135.11679	0.5
137.05989	0.7
139.03873	1.4
141.05275	0.7
145.04967	0.8
147.04430	1.5
147.08037	0.8
147.11658	1.0
153.05487	0.7
153.09157	0.5
157.04781	0.7
161.05946	1.1
163.11229	0.5
167.03194	0.8
175.03928	1.5
175.11206	0.8
176.32005	0.5
178.08675	0.8
183.06601	0.5
185.04230	6.4
185.05731	1.0
193.12291	1.8
201.03661	2.3
202.06104	0.5
203.05330	1.7
207.06503	4.3
211.13382	1.1
217.04807	1.9
217.12344	0.6
232.07062	12.0
233.07838	0.6
235.13292	2.6
259.13446	0.9
267.15933	1.7
273.14896	2.0
277.14474	0.6
289.14465	0.6
301.14346	1.3
309.17038	2.0
319.15405	0.7
337.91791	0.5
342.97461	0.5
343.15479	0.7
365.12265	1.2
375.18161	1.7
381.11954	2.2
393.19281	1.1
407.13202	1.2
411.20334	1.3
417.19785	0.7
422.39014	0.5
433.16150	1.4
451.17145	0.6
464.33652	0.5
527.91864	0.5
543.18561	0.8
560.18512	0.5
561.19714	0.7
591.20459	100.0
592.20886	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38046	2.0
55.05509	3.8
57.07074	23.6
59.19525	1.7
66.17181	2.0
69.07056	4.6
71.08231	2.6
71.08630	50.5
71.48740	3.8
73.02778	1.6
79.05464	2.8
81.07064	3.5
85.10177	19.5
87.04464	15.7
89.06030	100.0
91.05473	9.5
93.07030	13.0
95.04953	3.4
95.08590	4.1
105.07030	4.8
107.04988	3.9
107.07078	3.9
107.08588	2.4
109.10135	3.2
119.08569	5.3
121.06525	25.2
121.10114	3.3
127.14799	2.4
130.08638	4.1
131.07001	4.6
132.87894	2.3
133.08607	60.9
135.08098	3.1
136.05266	1.7
145.10071	2.7
147.08009	7.8
149.09593	5.7
153.12714	1.8
165.09091	16.5
167.10765	3.2
174.95882	1.8
177.11235	20.8
191.10553	3.4
209.11757	6.2
221.13850	3.9
235.13310	3.6
247.20576	15.6
255.15894	3.7
277.20889	2.1
287.74371	2.7
291.20251	3.4
291.23181	33.5
315.17929	2.3
328.56302	1.9
335.25760	5.6
359.20853	2.6
447.25870	10.2
573.39758	7.3
590.42743	2.4
591.25574	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	589.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48431	1.8
53.03937	3.3
55.01857	2.7
55.05517	2.2
57.03406	2.7
59.05000	3.9
65.03952	2.1
67.01852	5.7
67.05497	4.8
69.03416	12.0
69.07069	10.4
71.52306	2.0
71.59350	2.1
73.02881	2.4
79.05473	4.8
81.03429	10.9
81.07043	8.5
83.04963	3.0
85.02901	20.8
87.00817	7.3
88.94563	1.9
91.05475	5.6
93.07029	7.0
95.08609	4.8
97.02879	8.6
97.06502	3.3
99.04455	5.2
105.01842	7.0
105.07024	6.5
107.04955	32.2
107.08598	4.2
109.02879	9.2
109.10162	3.5
111.08047	2.3
119.04918	3.1
121.06499	3.2
121.10146	2.8
123.04413	2.5
123.11698	4.4
127.03901	10.1
130.40004	2.4
133.06516	3.7
133.10089	3.4
135.04430	11.5
136.07701	2.4
137.05969	7.7
141.37819	2.1
145.04956	3.7
147.04346	2.6
148.07579	2.8
149.13179	2.3
156.51912	1.9
159.02855	4.9
161.05983	6.9
161.09604	3.1
163.03906	2.4
163.07541	3.0
165.05481	79.3
165.06877	4.6
189.09113	19.0
191.07036	32.2
215.10747	4.3
220.17606	2.1
221.11728	100.0
229.49565	2.0
247.13330	31.7
277.46384	2.5
285.11209	3.8
287.14053	5.1
309.14877	8.0
323.12753	5.9
323.25949	3.5
339.15594	3.6
340.16943	2.9
341.17114	7.0
404.09918	1.9
440.21417	2.6
555.17877	2.2
589.22803	3.1
589.31128	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	589.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
57.03447	2.7
67.01868	6.5
67.05499	5.1
68.05040	2.1
69.03428	11.6
69.07061	3.5
73.02912	3.8
76.26439	2.0
79.05492	3.6
81.03423	10.7
81.07064	5.8
85.02901	26.9
85.98524	2.2
87.00829	8.8
91.05482	6.5
93.03368	4.9
93.07027	3.6
95.04948	3.1
97.02900	8.5
99.04437	4.0
103.05471	2.3
105.01887	7.0
105.07030	4.5
107.04951	28.7
107.05620	3.1
108.05258	2.8
109.02877	9.1
119.04910	3.7
121.06493	4.0
123.04414	3.5
127.03940	16.8
129.07034	3.6
131.04826	2.2
133.06467	5.6
135.04451	4.5
137.06024	5.2
145.04976	5.9
147.04434	10.9
147.08044	6.4
149.05988	3.9
151.03975	3.2
159.02925	5.7
161.02339	8.5
161.05977	14.5
163.03922	2.9
165.05478	81.0
165.06879	4.2
167.03423	7.0
175.03952	4.3
176.04713	3.4
187.07587	2.7
189.09114	14.0
191.07036	55.8
195.08012	2.5
203.07042	69.3
204.07410	2.4
207.10139	2.6
208.06827	2.5
212.31990	2.7
215.10822	3.9
221.11728	100.0
229.72653	2.3
247.13293	55.6
285.07901	3.1
285.11237	8.0
309.14713	5.0
323.09277	4.5
323.12827	52.3
339.15857	4.2
340.16489	3.9
341.13571	4.6
341.17133	7.3
589.22461	19.9
589.31549	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	589.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01879	2.0
55.87222	1.0
57.03437	2.4
60.32055	1.1
65.03945	1.1
65.75040	0.9
67.01857	6.3
68.86357	1.0
69.03429	8.2
69.07045	1.1
69.50022	9.7
73.02906	1.6
73.79429	1.3
74.77396	1.0
81.03420	5.4
81.07049	1.7
85.02899	14.7
87.00831	4.6
91.05457	1.0
93.03408	1.9
93.06996	1.3
95.04961	1.3
97.02902	4.0
99.04451	3.7
105.01855	4.8
105.07060	1.1
107.04955	26.8
108.05293	3.9
109.02891	5.3
120.13684	0.9
121.06506	1.5
127.03938	10.3
131.04915	2.5
133.06477	3.5
135.04436	6.7
137.05963	1.4
145.04932	3.0
145.06511	1.8
147.04401	1.6
149.05978	3.1
159.02887	1.8
161.06027	6.0
161.09578	1.5
163.03883	1.1
165.05470	86.8
166.05887	1.7
177.05440	4.3
178.05840	2.0
185.19237	1.1
187.07549	1.5
189.09103	18.5
190.06206	1.7
191.07027	28.6
205.08609	2.5
215.10672	2.5
221.11720	100.0
222.12048	1.7
230.05116	1.0
247.13274	34.6
253.08611	1.8
254.08946	1.2
266.09409	1.6
267.09860	1.7
270.08408	1.1
281.11890	1.2
281.63776	1.1
284.10379	1.5
285.11047	6.5
292.68295	1.1
294.11884	1.3
309.11496	1.7
309.14713	8.9
310.15390	1.6
327.12198	1.1
339.15997	4.1
340.16629	9.7
341.17041	18.0
533.15991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35593	0.6
53.03929	0.7
55.01860	1.4
57.03415	0.6
69.03423	2.1
69.63013	2.4
69.63437	1.7
70.06600	0.7
79.05475	1.5
81.03412	2.7
81.07043	1.6
85.02908	2.8
87.00834	0.5
91.05473	3.8
93.07056	0.8
95.01338	0.7
95.04999	1.0
95.08596	0.9
97.02863	1.6
98.06101	0.7
105.01857	1.3
105.03419	1.0
105.07005	1.5
107.04960	2.1
107.08599	1.7
109.02891	1.3
109.06504	1.4
109.10165	0.9
115.05458	0.9
116.27428	0.5
117.06984	0.7
119.04951	3.9
119.08575	2.3
121.02855	0.7
121.10124	0.6
123.00768	0.6
123.04329	0.6
127.03911	1.6
128.06200	0.7
129.07007	2.4
131.08563	1.0
135.04436	0.8
135.07997	0.6
142.14764	0.5
144.05719	0.8
147.04396	8.5
147.08034	5.1
149.02344	3.5
151.03917	2.8
157.06509	1.2
159.02895	0.7
160.05145	0.8
161.02342	13.4
161.05946	5.3
163.03908	1.9
164.58432	0.6
166.52631	0.5
167.03407	10.8
175.03938	2.5
175.07536	3.8
177.09166	0.6
185.05997	5.1
203.07028	100.0
204.07358	1.7
205.08600	4.8
221.08116	1.2
267.06635	0.6
285.07736	0.6
323.12772	62.0
324.13055	1.9
341.13779	3.4
366.71008	0.6
585.59247	0.7
589.31757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67590	0.8
51.14876	0.8
53.03950	1.0
54.43277	0.9
55.05516	1.4
55.54261	1.0
57.03429	2.8
67.01851	1.6
67.05514	1.9
67.15933	0.9
69.03428	4.4
69.07085	1.3
69.32307	4.3
69.32738	5.4
70.06581	1.1
71.61677	0.9
73.02942	1.1
79.05505	3.1
81.03425	3.5
81.07059	3.1
85.02892	6.6
87.00840	2.3
91.05478	4.4
93.03413	1.0
93.07067	2.1
95.01395	1.0
95.08594	2.5
97.02897	3.7
99.04479	2.3
105.01871	1.0
105.07050	3.5
107.04948	7.9
107.08594	3.1
108.05327	1.2
109.02877	3.6
109.06514	2.0
113.32958	1.0
119.04957	4.1
119.08582	2.7
121.06511	1.0
121.10134	1.5
123.11686	0.9
127.03926	6.1
129.07030	2.2
131.08563	1.3
133.06499	2.5
133.10117	1.2
135.04430	2.1
137.06036	2.2
144.05696	1.3
145.04991	1.3
145.10085	1.3
147.04437	9.8
147.08052	6.0
148.03860	1.1
149.02333	4.0
149.05956	1.2
149.09691	1.0
151.03897	2.5
157.06531	1.7
159.02901	1.8
161.02325	10.1
161.05978	8.6
163.03955	1.7
165.05501	11.9
167.03395	11.7
169.06369	1.0
175.03937	3.3
175.07590	1.9
185.05991	5.6
187.07541	1.4
187.59035	0.9
189.05316	1.3
189.09114	2.0
191.07018	11.0
191.08571	1.1
203.07030	100.0
204.07407	2.3
205.08655	3.6
207.06544	2.0
216.07573	1.6
221.08266	1.8
221.11710	16.2
225.09979	1.0
247.13332	7.8
257.51804	1.0
285.07904	1.0
285.11172	3.1
305.24490	1.5
309.58640	0.9
323.12790	81.0
324.13272	2.1
341.13684	5.6
454.57025	0.9
560.31989	1.2
589.22412	10.1
589.32214	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	588.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74508	0.2
53.03946	1.2
55.01852	0.3
56.98022	0.3
57.03428	0.4
58.99576	0.3
61.02925	0.4
67.05509	1.5
68.05019	0.7
69.03429	1.5
69.46906	0.5
69.47311	1.4
70.99575	0.7
71.04994	0.5
71.99119	0.3
73.02909	0.3
81.03416	1.9
81.07036	0.4
85.01145	0.6
85.02908	1.4
86.03666	0.3
91.03954	0.2
93.03387	0.2
96.04453	0.5
97.01086	0.7
97.02891	8.3
98.00520	0.2
99.04442	0.8
103.03945	0.3
109.02882	2.5
109.10168	1.9
112.02158	0.8
112.62130	0.2
113.00571	1.6
114.00105	1.0
124.02154	1.2
127.00877	0.5
127.03928	2.7
140.01630	1.2
141.29492	0.2
142.04991	0.8
143.00365	0.8
152.36836	0.2
153.05481	0.4
163.06003	0.3
168.01051	1.4
173.11719	0.8
176.84396	0.2
177.05476	0.4
186.02200	100.0
187.02498	1.3
208.04289	0.2
214.01682	16.5
215.02188	0.4
228.03264	0.8
229.14366	3.5
232.02739	10.0
243.06546	0.2
254.04837	0.3
261.07632	0.3
264.03455	0.6
266.04745	0.4
271.61768	0.3
274.03784	2.2
288.05347	0.5
294.04343	1.1
299.91187	0.2
303.08658	0.3
304.02640	0.5
310.03842	1.1
312.05341	10.0
316.04782	0.3
322.03638	0.6
330.06366	1.0
334.05942	2.2
340.04837	3.5
358.05905	24.2
359.06091	0.5
376.06851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
53.91721	0.6
55.01862	2.6
55.17429	0.7
57.03416	2.6
61.02920	1.7
67.05491	1.5
67.24276	0.7
68.99780	1.5
69.03083	0.9
69.03429	14.5
69.07072	1.5
69.82976	4.4
71.05000	1.4
73.02917	1.1
79.05476	2.9
81.03412	11.3
81.07057	3.8
83.04987	0.8
84.08122	0.8
85.02907	17.4
85.06512	0.7
87.00826	7.8
87.04458	1.3
91.03951	1.1
91.05476	4.5
93.07027	1.5
94.04186	3.3
95.04951	1.3
95.08598	1.5
97.02886	7.2
97.06518	0.9
99.04440	4.3
99.55900	0.7
103.05467	4.9
104.06236	0.9
105.01868	6.4
105.07034	5.5
107.04935	3.5
107.08557	1.0
109.02877	11.3
109.06464	3.3
109.10158	0.9
111.04442	1.0
114.04485	0.7
115.05441	3.6
116.98559	1.0
117.01847	1.3
117.06976	1.6
119.04996	0.9
119.08574	4.1
121.06566	1.0
121.10121	1.3
122.03651	8.0
123.04420	2.2
127.03907	13.4
128.06229	2.7
129.01811	0.9
129.06998	2.0
131.04924	7.1
132.05705	2.7
133.06534	3.3
137.05975	100.0
138.06325	0.9
139.03900	1.5
141.06955	2.2
145.04997	3.9
145.06459	1.6
146.03619	1.9
147.02806	0.7
147.04405	1.6
147.08017	3.9
149.05965	2.9
151.07495	1.1
153.12669	0.8
156.05603	1.1
157.06535	0.9
159.02882	4.7
159.08040	1.9
160.05183	1.6
161.05983	12.9
161.09584	0.8
163.07544	12.7
167.07039	0.7
169.06474	1.7
171.08061	2.0
173.09673	1.0
175.07544	49.2
177.05441	1.5
181.06514	0.9
183.21709	0.7
184.05266	2.5
186.06770	1.0
187.07547	4.8
189.07114	1.2
189.08994	1.3
191.07005	0.9
191.08568	2.1
197.30632	0.8
199.07527	15.6
201.09077	1.8
202.07808	6.7
203.06912	1.3
203.08582	12.9
218.07336	1.4
219.08064	5.3
220.08757	3.5
231.05060	1.8
231.08037	17.0
231.10179	1.0
232.08893	3.3
233.05927	1.1
235.07603	1.0
235.11171	1.0
236.08263	0.7
237.09082	1.1
247.07541	3.7
248.08302	7.1
249.09206	2.1
249.38109	0.7
251.10690	3.7
255.11287	0.7
259.07559	10.7
260.08304	3.5
261.09094	2.2
262.10025	0.8
263.10669	7.8
264.07809	0.8
265.08670	2.8
273.09204	1.1
274.10223	0.8
275.07050	1.4
276.07809	5.4
277.08633	4.9
279.10172	3.3
280.10983	1.2
287.13855	1.0
290.09406	1.2
291.10135	20.3
291.13461	1.0
292.10886	5.4
293.08197	3.7
295.10129	0.9
295.13315	2.8
296.10388	1.2
305.24304	0.9
307.09399	1.0
308.10394	5.4
311.12830	8.0
321.11383	1.1
323.12769	46.9
325.14352	2.2
341.13632	1.1
365.13470	0.8
387.06931	0.7
589.24902	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	587.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01867	4.9
55.05509	4.3
57.03428	3.4
59.04993	3.4
61.02933	2.6
65.03945	2.7
67.05504	3.5
68.99790	4.2
69.03429	24.0
69.07067	3.7
71.59511	2.5
73.02918	2.9
75.70356	1.5
76.42726	1.7
81.03426	13.3
81.07053	7.2
83.04967	1.9
85.02905	38.0
87.00844	9.3
91.05485	12.8
93.03395	3.3
93.07040	7.8
95.04976	4.3
95.08594	3.1
97.02893	17.8
97.10180	6.2
99.04460	6.0
103.03930	3.0
105.01859	8.1
105.07013	7.7
107.04959	22.9
107.08578	5.7
109.02895	16.1
109.06505	3.4
109.10173	4.2
111.04450	2.0
115.05497	2.5
117.06994	2.6
119.04960	17.1
119.08611	3.7
121.06486	8.7
121.10146	2.1
125.09639	2.4
127.03927	28.9
128.06143	2.1
129.01836	2.8
129.07019	3.6
131.04929	2.2
131.08522	5.8
133.06471	4.2
133.10133	2.6
137.05931	2.0
141.06940	2.1
142.07751	2.7
143.08583	3.8
143.10704	2.6
145.04939	5.8
147.04401	11.2
147.07985	3.8
147.48021	1.8
151.07507	1.9
157.06445	2.1
158.07230	1.7
159.02904	7.1
159.08051	8.0
161.02345	3.8
161.05954	6.0
163.03935	3.0
165.05479	2.3
165.12755	1.8
167.03427	4.8
167.08577	6.1
170.07274	3.6
171.08119	3.2
171.68964	2.3
175.03912	15.3
175.07623	2.3
177.05501	5.7
185.06004	3.4
185.09572	13.3
187.07533	33.1
189.03949	3.6
189.05518	8.0
191.07045	4.3
191.10750	2.4
195.08034	5.5
198.06738	4.6
201.09070	4.7
203.07028	39.6
203.10669	2.9
207.06531	28.6
213.09087	22.0
214.09895	2.2
215.07040	6.7
219.10168	77.4
219.12277	4.1
229.08623	3.0
230.09317	11.1
231.04947	4.2
245.11745	100.0
269.42926	1.8
285.11261	3.8
303.12408	1.9
307.13373	3.2
309.10950	3.0
321.24243	2.0
325.10724	2.8
337.14426	4.8
339.12119	7.9
339.15927	20.5
363.15985	2.1
381.16925	8.1
543.19580	2.4
587.17151	3.7
587.30542	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	587.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
53.56559	1.0
55.01875	3.6
55.92452	1.0
57.03433	3.5
59.04988	1.4
61.02910	3.9
63.03710	1.0
65.03934	1.4
65.36955	1.1
67.05475	1.4
68.99771	1.7
69.03075	1.4
69.03430	18.6
69.07054	1.4
70.63615	3.4
71.04972	2.6
73.02920	3.4
76.59462	0.9
79.05486	1.5
81.02989	1.2
81.03423	15.2
81.07037	2.3
85.02907	34.7
87.00823	8.7
87.04529	1.5
91.05476	7.0
93.03403	3.7
93.07052	6.5
95.04959	2.1
95.08591	1.6
97.02905	10.1
99.04465	7.1
103.03931	3.1
105.01873	7.6
105.07024	3.3
107.04959	5.5
107.08576	1.9
109.02876	17.0
109.83510	0.9
115.05499	1.4
119.04937	13.5
121.06510	9.6
121.10149	1.3
123.04432	1.0
127.03923	30.2
128.06230	1.8
129.01843	3.0
129.07014	2.9
131.04877	1.4
131.08563	3.5
133.06482	3.9
133.10129	1.5
135.08063	1.3
135.53372	1.1
137.05917	1.7
141.06973	1.6
142.07808	4.3
143.04956	1.5
143.08614	1.5
145.04955	7.4
145.06450	2.8
145.10159	2.2
147.02872	2.6
147.04411	6.5
151.03914	1.2
151.19484	1.1
152.06213	3.6
157.06503	2.7
157.10126	3.7
159.02971	5.4
159.08035	10.3
161.05998	3.4
163.03886	2.5
165.05516	1.4
165.06897	1.3
167.03406	3.7
167.08527	6.2
170.07271	3.8
171.07982	1.8
173.09634	2.9
175.03920	3.8
175.07509	2.0
176.08261	1.4
177.05484	5.5
181.06416	1.3
185.09642	10.6
186.06764	1.4
187.05855	2.2
187.07538	38.3
188.04944	1.3
189.04031	2.0
189.05479	6.4
189.09138	1.6
191.07126	5.1
191.10664	1.3
195.08086	7.8
198.06738	5.2
199.07547	1.9
201.09143	3.9
201.33211	1.1
203.07028	1.9
204.07822	2.2
205.08638	1.3
207.06517	5.5
212.08427	1.3
213.03949	1.1
213.09113	27.8
214.09906	1.7
215.07050	6.7
219.10162	87.7
227.10619	1.7
229.08569	5.2
230.09370	10.6
231.04993	4.5
245.11742	100.0
246.12219	1.4
285.11230	4.5
307.13309	3.5
309.11255	3.4
323.12698	1.8
324.13040	3.0
325.10809	2.2
325.14294	1.7
337.14276	4.2
339.12201	2.0
339.15921	24.8
381.17041	7.5
389.81424	1.1
403.23096	1.1
545.32678	1.1
587.31299	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	587.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.01860	2.7
55.05497	2.5
57.03433	2.3
65.03927	3.1
67.05496	2.4
68.99772	3.6
69.03429	10.3
69.07067	2.5
69.44595	10.3
70.06611	1.4
71.04977	1.8
79.05499	1.9
80.66507	1.1
81.03416	5.7
81.07046	3.2
83.04972	1.9
83.39680	1.2
85.02892	14.2
87.00820	5.1
91.05477	15.9
93.03377	2.1
93.07026	5.0
95.04952	3.2
95.08611	1.4
97.02895	17.2
99.04444	1.6
103.03985	1.5
105.01869	4.5
105.07018	3.3
107.04956	3.5
107.08587	1.8
108.51572	1.4
109.02869	5.1
109.06512	3.0
109.10153	1.8
111.04424	3.8
117.06947	1.3
119.04940	34.4
119.08567	1.7
121.06503	4.9
123.04371	1.5
127.03913	10.0
128.06197	2.1
129.01859	1.4
129.06950	1.6
131.08566	7.9
133.06477	3.9
137.05925	1.5
139.03906	1.4
141.06995	1.7
142.07848	1.3
143.08527	2.6
145.04994	2.2
147.03142	1.7
147.04395	20.1
149.02365	1.6
157.03981	1.6
157.10150	1.5
158.07275	2.0
159.02852	1.3
159.08070	17.2
161.05965	6.9
163.03957	1.4
165.05458	2.3
167.03412	2.1
167.07120	2.3
167.08565	3.6
173.05992	1.4
173.09650	2.3
175.02507	2.2
175.03903	25.6
177.05489	2.7
185.05977	2.1
185.09599	5.3
187.07536	78.5
188.07990	1.5
189.05418	5.3
189.09074	3.0
191.07018	7.7
195.08026	4.4
198.06799	3.2
201.09044	6.2
203.07051	1.7
204.07919	2.3
205.08757	2.2
207.06528	56.5
213.09096	15.9
215.07074	4.0
219.06546	4.2
219.10168	100.0
220.10411	1.5
227.10770	1.7
229.08620	1.8
230.09341	5.4
245.11731	58.0
258.00439	1.1
261.11273	2.4
275.09171	2.2
285.11185	8.8
321.09976	1.4
339.12280	2.2
339.15906	6.1
363.15750	2.5
378.72354	1.3
381.17087	10.1
396.39648	1.5
409.24026	1.4
425.24997	2.6
467.15497	31.3
468.16553	1.2
506.98706	1.4
587.21918	1.2
587.30573	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	587.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01865	1.3
55.05498	2.1
57.03442	1.6
61.02913	1.1
64.52996	0.7
66.66946	0.7
67.05489	2.4
68.35165	0.8
69.03433	7.3
69.07056	1.8
71.04988	1.1
71.56982	0.8
71.59004	0.7
71.59350	0.8
73.02923	2.0
79.05502	2.8
81.03423	6.8
81.07046	2.7
83.04901	0.8
85.02905	11.3
87.00835	3.0
91.05441	4.0
93.03407	0.9
93.07031	2.6
95.04974	4.0
95.08612	1.4
96.04483	1.5
97.02874	5.1
99.04458	2.1
103.05483	1.0
105.01829	2.5
105.07020	5.9
107.04951	100.0
107.08621	1.1
108.05291	1.0
109.02866	5.8
109.10155	1.5
114.92048	0.8
115.05463	1.8
117.07000	3.1
119.04925	6.8
119.08569	1.6
121.02917	2.0
121.06469	4.2
123.04426	7.1
125.09544	0.8
127.03911	10.7
129.07016	1.9
131.04919	5.9
131.08577	1.4
133.06467	8.0
133.10147	0.9
135.11726	0.7
139.03894	2.1
141.07004	1.6
143.08572	1.6
145.04933	2.7
145.06450	3.6
147.04407	2.1
147.08105	0.9
149.05969	1.9
152.06157	0.8
153.05537	1.0
157.06496	2.7
159.02888	2.3
159.08073	3.3
161.05951	2.7
165.06999	2.1
167.08569	2.3
169.06459	0.9
169.10139	0.9
170.07288	1.0
171.08104	1.7
173.06017	3.0
173.09631	1.9
177.05482	2.7
177.06941	1.7
179.08490	1.0
181.06505	1.4
185.05942	2.3
185.09595	1.5
187.07549	8.0
189.05487	2.2
189.09082	0.8
191.07053	1.4
194.07236	1.3
195.08034	8.0
196.08810	1.4
197.06058	1.9
198.06775	1.5
199.07509	1.8
201.09076	5.9
205.06526	1.4
207.06502	1.4
211.11154	1.0
212.08345	1.4
213.09047	4.7
215.07143	1.1
219.10159	12.5
221.09537	0.9
223.07570	3.0
230.09245	0.9
231.04973	2.4
233.05945	1.6
235.47528	0.8
237.09019	2.1
245.11714	10.4
249.09048	0.8
251.06883	0.9
255.10124	2.9
267.10175	16.9
279.13693	1.4
283.09656	6.4
285.11267	1.4
293.79294	1.0
307.09805	1.5
307.13281	19.7
309.26639	0.8
324.13101	1.0
339.11823	1.8
339.15903	33.2
340.15524	1.0
381.16891	1.5
421.68109	1.3
531.14606	1.0
575.51611	0.8
586.31958	1.1
587.31549	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	586.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02419	5.5
67.05467	5.8
70.06577	20.4
71.59517	8.7
84.08147	7.0
85.02905	12.2
86.09686	17.6
88.01969	5.8
91.05482	18.3
93.03407	11.1
93.07018	8.4
95.04940	8.4
97.06568	8.0
103.05450	8.3
106.04144	30.5
107.04958	8.0
110.30473	6.4
121.06522	29.9
123.04433	11.6
125.06002	8.3
131.04924	17.2
135.04303	6.3
135.29749	6.0
137.05981	29.3
149.06027	43.6
153.09106	17.7
153.50717	6.4
163.03922	12.7
163.07544	31.8
177.05443	20.5
181.08603	26.3
209.08112	100.0
246.14896	12.5
271.05878	8.1
272.06409	9.8
315.13577	6.9
322.78473	6.2
339.12308	8.4
490.60037	6.8
586.29541	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	587.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	11.2
68.05019	6.4
69.03409	13.4
69.92619	19.0
69.93046	4.9
70.06593	9.6
75.98607	3.5
79.05505	4.2
81.03410	16.7
83.04980	6.2
84.04501	15.5
84.08129	4.4
85.02902	15.5
91.05464	4.4
97.02898	11.8
98.21510	5.1
109.02888	5.4
111.04420	6.3
115.00781	4.2
116.07119	6.5
123.04417	6.7
124.02156	4.6
127.03931	8.8
129.99599	10.2
134.06026	4.4
137.05989	6.6
139.03185	23.2
147.83115	4.7
148.07555	5.1
150.00116	5.3
153.05499	6.6
160.04907	4.3
163.03864	4.6
167.02718	7.2
168.01146	11.4
170.02744	32.0
177.05365	5.3
178.40155	4.1
184.00690	7.0
185.03789	100.0
196.00658	16.3
201.03951	5.7
202.11958	4.1
209.03888	5.7
214.01682	9.0
227.04834	17.8
231.04349	9.8
236.10741	5.0
255.04448	6.4
256.06989	4.3
259.05231	6.9
262.08694	6.0
273.05432	13.0
275.04803	4.4
293.05811	10.4
295.07458	19.9
311.07114	7.0
312.10620	3.9
329.07947	27.9
339.06436	26.4
357.07520	25.8
358.06210	4.6
375.08606	66.7
526.30859	5.3
569.22168	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	586.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
52.54951	0.5
53.03955	1.5
55.01862	1.0
55.05498	0.8
61.02913	1.3
67.05505	1.1
68.99789	1.0
69.03429	7.8
71.10603	0.5
71.10980	1.6
71.67111	0.5
73.02909	1.0
75.52406	0.5
76.33963	0.6
77.72115	0.5
78.03446	2.5
79.05498	0.6
81.03418	7.5
81.07059	0.7
85.02902	10.3
87.00830	3.4
91.05472	1.5
95.04960	0.8
95.08628	0.7
96.04489	100.0
97.02887	3.6
99.04421	2.6
103.03931	1.1
105.01887	1.8
107.04961	1.2
107.06078	0.5
109.02876	7.6
117.07030	1.3
121.06532	0.9
121.18504	0.6
127.03918	7.6
129.01828	1.0
135.08044	1.3
136.07570	23.4
145.04953	2.3
145.06490	1.9
149.06009	0.8
159.02904	1.8
173.05962	2.9
187.06021	0.8
201.05423	4.1
222.12218	0.6
231.05067	0.7
243.10182	1.6
338.13855	9.8
478.59521	0.6
500.18823	0.6
542.19800	1.1
586.19147	7.4
586.29089	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	586.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02375	0.8
53.03949	1.2
55.01880	0.9
55.36344	0.2
57.03427	1.0
61.02921	0.6
68.99793	0.9
69.03429	6.0
70.02666	0.7
71.01318	0.2
71.04981	0.6
73.02921	0.9
78.03450	1.8
81.03416	6.1
83.01329	0.3
85.02904	8.9
85.53046	0.2
87.00835	3.9
91.05460	0.2
96.04491	100.0
97.02889	2.7
97.04816	0.2
98.20821	0.3
99.04449	2.2
99.60341	0.2
103.03967	0.3
105.01876	1.8
107.04975	0.5
109.02882	6.3
117.01876	0.5
117.07027	0.4
119.04930	0.6
127.03916	7.2
129.01842	0.7
133.06537	0.2
134.07278	0.8
135.08058	0.7
136.07576	2.3
145.04977	2.2
145.06549	0.3
147.02884	0.4
149.06017	0.5
159.02902	2.6
187.05998	0.5
201.05420	1.7
207.01439	0.2
213.04048	0.3
231.05035	1.5
243.10173	2.9
338.13867	10.9
501.03943	0.2
507.67783	0.2
586.18866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
53.40371	0.7
55.01845	0.8
63.80377	0.7
69.03417	2.0
69.49284	1.9
69.49711	4.6
79.05484	1.3
81.03408	3.1
81.07046	1.6
83.08634	0.7
85.02902	3.4
87.50237	0.7
91.05490	4.1
93.07027	1.2
94.04198	1.0
95.04980	3.9
96.04501	4.2
97.02872	1.1
97.26163	0.7
98.20781	1.7
105.01842	0.8
105.07034	11.5
106.07786	0.7
106.31985	0.8
107.04945	1.5
109.02887	2.3
109.10159	0.7
112.03965	100.0
115.05473	2.3
119.04946	13.6
122.59826	0.8
127.03920	3.1
128.06209	1.4
129.07010	12.0
133.06499	7.5
133.10141	0.9
134.07283	25.7
135.78514	0.6
136.87375	0.7
141.06966	4.1
145.10150	1.0
152.07062	14.6
157.06461	2.1
166.07841	1.1
170.07256	1.2
171.08063	0.9
185.05975	28.2
186.06674	1.9
187.07518	0.9
194.07233	0.8
198.06693	0.8
199.07547	4.4
199.11201	1.1
202.52342	0.7
209.09636	2.3
212.08266	1.0
227.10663	35.5
278.86719	0.8
311.36609	0.8
318.27872	0.8
338.13849	48.6
343.03595	0.8
484.76389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02369	0.8
53.03941	2.2
55.01871	1.7
57.03438	1.5
61.02925	1.6
65.03931	0.2
68.99781	1.3
69.03424	11.9
69.37334	0.3
69.37739	1.9
71.01324	0.3
71.04982	1.0
73.02910	2.0
78.03437	2.2
78.03802	0.3
78.41653	0.2
80.04996	0.3
81.03414	12.4
81.07060	0.2
83.01335	0.3
85.02900	15.0
87.00822	7.3
91.03947	0.4
91.05467	1.1
93.07059	0.3
95.04980	0.6
96.04485	100.0
97.02882	5.5
97.03509	0.4
98.20762	0.5
99.04458	3.6
101.02369	0.4
103.03922	0.8
103.05431	0.3
105.01852	3.2
105.07034	1.0
107.04948	2.8
108.08140	0.2
109.02873	15.9
112.03948	4.0
115.03909	0.3
115.05453	0.5
117.01832	1.1
117.07015	0.8
118.06507	0.2
119.04946	2.4
121.02865	0.8
121.06517	0.5
127.03905	13.2
128.06268	0.5
129.01807	1.3
129.07002	1.0
133.06502	0.7
134.07268	4.8
135.08041	3.6
136.07568	31.3
145.04944	2.7
145.06477	0.9
147.02882	0.6
149.06015	0.7
149.19226	0.2
152.07048	0.3
155.04965	0.3
157.06477	0.3
159.02881	3.9
167.07347	0.3
171.69963	0.2
173.05969	0.7
184.05182	0.2
185.05983	1.3
187.05946	0.6
197.09663	0.3
199.07407	0.3
201.05455	4.7
213.03984	0.6
215.06844	0.3
227.10675	1.4
231.05042	1.6
243.10144	6.3
244.10504	0.3
251.61049	0.2
324.72684	0.2
338.13837	54.4
339.14087	1.1
500.19092	0.4
524.83978	0.2
586.19202	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	585.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01852	1.1
57.03434	0.4
67.05473	0.7
69.03407	0.9
69.07046	0.6
69.52496	0.3
69.78845	1.8
77.03925	0.4
79.05476	1.3
81.03407	1.6
81.07028	1.3
85.02901	1.8
87.00829	0.4
91.05485	2.9
92.23507	0.3
93.07006	0.6
95.01329	1.0
95.04935	0.3
95.08585	0.6
97.02867	0.5
98.21405	0.6
99.04432	0.5
105.03377	2.1
105.07002	1.2
107.04955	0.8
107.08573	0.8
109.02859	1.2
109.06516	1.9
109.10138	0.6
115.05502	0.3
115.99805	0.3
117.07008	0.6
119.04895	0.6
119.08575	2.3
121.10083	0.5
123.00760	0.5
127.03912	0.8
128.06264	0.6
129.07007	2.4
131.04970	0.4
131.08572	0.8
132.05708	0.4
133.02855	0.7
133.06508	0.8
133.10098	0.6
135.08025	0.4
135.11691	0.4
141.06918	0.3
144.05727	0.9
145.04881	0.4
147.04385	1.1
147.08051	5.1
149.02359	2.3
151.03906	2.8
157.06412	1.6
159.08099	0.5
160.05165	0.6
161.02342	19.4
161.05968	5.8
163.03914	2.3
167.03409	6.0
175.03931	2.0
175.07521	3.5
185.05994	5.7
188.04680	0.3
203.07025	100.0
204.07314	2.0
221.08080	1.4
295.05978	0.6
298.54785	0.3
337.10690	67.9
338.11014	1.4
338.84338	0.4
379.58322	0.3
585.28833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.4
57.07072	88.6
59.04984	5.8
64.93913	2.4
67.05502	6.0
69.07059	7.8
70.79842	7.8
71.08633	59.0
73.06553	17.4
79.05461	3.9
80.93930	2.6
81.07069	4.1
83.08613	5.9
85.10187	37.8
87.04458	11.5
87.08131	3.1
89.06029	100.0
91.05476	5.0
93.07022	4.5
95.08586	5.1
97.10154	8.4
99.11712	8.7
105.07014	7.4
107.07064	6.2
111.11716	7.3
113.13274	5.4
117.09133	13.1
121.10142	4.2
128.06161	2.8
130.08667	2.5
131.08589	4.9
131.10683	7.2
133.08604	12.2
133.10147	4.5
135.10254	3.1
135.16597	2.5
145.10052	3.9
159.11717	4.2
161.11668	3.4
169.19524	7.4
173.11650	3.0
175.13385	2.8
177.11229	13.6
195.11827	3.3
213.22118	6.1
257.24738	22.6
275.20193	3.0
289.79736	2.8
301.27240	5.2
326.70325	3.2
350.88116	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.1
53.03931	4.5
55.01879	2.3
55.05513	21.2
55.83073	1.8
57.07080	15.2
59.04993	2.8
62.13803	1.7
65.03931	3.6
65.51655	1.8
67.05503	31.8
69.03416	8.4
69.07069	27.6
71.04976	3.9
71.59399	2.3
71.59799	2.2
79.05490	34.1
81.07049	45.9
83.04971	9.4
83.08607	11.9
85.06523	7.1
89.08665	1.8
91.05475	64.4
93.07040	68.6
93.07633	4.4
95.04955	14.0
95.08605	35.5
97.06543	6.9
97.10136	2.8
98.98466	2.4
103.05480	6.3
105.07025	92.2
107.04961	4.0
107.08595	61.9
109.06503	13.0
109.10161	27.6
111.11653	2.5
115.05463	7.5
116.06240	2.3
117.07014	19.2
119.08575	100.0
121.06487	17.4
121.10136	66.2
121.11032	2.9
122.06862	2.8
123.08053	15.1
123.11699	8.9
125.09629	5.2
128.06187	12.5
129.07002	18.4
130.07797	8.5
131.08563	47.9
133.06503	2.7
133.10118	49.4
135.08052	11.8
135.11688	17.8
137.09576	9.5
139.11165	2.7
141.06958	11.3
142.07762	25.5
143.08549	48.3
144.09378	11.1
145.06448	3.7
145.10117	66.1
147.08015	10.2
147.11673	22.8
149.09634	12.8
149.13284	5.9
151.07492	9.8
153.06956	4.1
154.07784	5.2
155.08583	19.2
155.10620	2.9
156.09358	22.8
157.10117	59.9
158.10916	13.0
159.08055	8.4
159.11696	32.0
161.09688	6.1
161.13266	5.8
163.11198	7.6
165.07024	6.8
165.09085	17.6
166.07776	3.7
167.08575	12.8
167.10677	45.2
168.09346	6.7
169.10117	29.7
170.10912	8.1
171.08025	3.1
171.11670	37.8
173.09650	5.7
173.13272	30.3
175.11200	6.8
175.14825	14.0
177.12680	2.2
178.07797	4.0
179.08595	16.5
180.09369	9.6
181.10138	23.0
181.12212	5.6
182.10886	10.7
183.11688	29.8
184.12466	9.2
185.09641	3.0
185.13269	20.5
187.11287	3.3
187.14742	10.1
189.12813	6.4
189.16440	2.6
191.08549	3.0
191.14326	9.1
192.09358	6.0
193.10091	17.4
194.10948	12.9
195.11668	23.3
196.12466	6.1
197.09731	2.5
197.13266	25.6
199.11209	3.7
199.14786	28.3
201.16370	4.8
203.08633	2.4
203.14330	7.6
205.10147	4.8
205.15895	2.2
206.10925	7.6
207.11722	22.3
207.13782	7.2
208.12482	7.7
209.13252	29.5
210.14058	3.1
211.11119	3.3
211.14822	17.2
213.12851	2.6
213.16435	5.4
215.14325	6.0
216.09760	2.5
216.63742	1.9
217.10136	5.5
217.15849	20.0
218.10942	5.6
219.11772	6.9
219.17418	2.3
220.12437	5.6
221.13261	17.9
221.15414	27.2
222.13974	2.8
223.14891	14.9
224.15550	2.5
225.16406	7.4
227.14365	3.8
229.15970	3.4
230.10829	3.2
231.11707	5.4
232.12535	3.7
233.13234	12.2
233.15443	16.0
234.14026	6.2
235.14824	11.1
236.15630	3.9
237.16466	9.9
239.17996	5.6
243.11795	4.3
243.17451	2.6
244.12567	2.6
245.13258	9.5
246.14001	5.5
247.14812	12.4
247.17006	2.3
248.15562	4.6
249.16267	10.2
250.17099	2.0
251.14171	2.4
251.17963	3.9
253.19571	3.2
255.17566	2.6
257.13266	2.7
257.19043	9.5
259.14883	7.3
260.15646	4.2
261.16388	10.8
262.17032	2.6
263.17950	6.9
265.19516	9.0
269.19025	5.7
271.14893	2.6
271.20590	3.5
272.15692	2.4
273.16376	5.9
273.18887	3.7
274.17178	3.8
275.17795	12.5
277.19537	5.8
279.21213	2.1
281.18900	2.5
283.20584	12.2
284.15469	2.4
285.18542	3.3
287.17807	4.7
289.19592	5.4
291.21045	2.9
295.20654	4.9
299.20422	3.0
307.20825	3.2
312.21201	2.1
331.24237	3.8
349.25479	5.6
361.25308	4.1
364.24301	2.6
367.21030	5.4
373.25348	2.9
375.26868	2.5
427.30014	2.5
478.68417	2.3
491.35233	3.7
509.34506	2.6
565.40350	16.5
583.41425	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.05505	11.7
56.87649	1.5
57.07067	7.6
59.04983	2.9
60.35613	1.6
65.03934	2.4
67.05500	22.7
68.05115	1.5
69.03421	6.2
69.07059	14.7
69.28895	15.6
69.29289	4.2
79.05492	21.1
81.07056	29.4
83.04967	5.4
83.08610	10.8
83.09032	1.6
85.06552	5.1
91.05476	34.9
93.07041	54.3
95.04976	12.0
95.08603	32.5
97.06545	6.9
103.05463	4.4
105.04508	2.0
105.07024	62.5
107.08590	43.0
109.06498	10.6
109.10159	19.4
111.08092	2.0
113.09637	2.0
115.05454	6.3
116.06223	2.3
117.07017	14.8
119.08578	72.0
121.06487	5.6
121.10139	52.4
121.11031	2.4
123.08047	13.7
123.11719	6.4
125.09612	2.8
128.06216	10.5
129.06985	10.8
130.07753	5.1
131.08571	22.1
133.06491	4.3
133.10121	34.0
133.11078	2.3
135.08031	7.3
135.11679	13.5
137.09613	8.7
139.11206	4.4
141.07016	8.2
142.07774	22.1
143.08562	33.2
144.09315	4.7
145.10120	49.4
147.08029	10.1
147.11687	17.7
149.09589	9.1
149.13278	3.9
151.07524	10.4
153.06999	3.7
154.07726	2.3
155.08528	15.4
155.10637	1.9
156.09383	14.9
157.10123	46.6
158.10875	6.7
159.08073	6.5
159.11681	24.4
160.12486	2.1
161.09663	4.6
161.13280	8.4
163.11206	7.8
165.07054	6.5
165.09105	15.2
166.07817	3.7
167.08614	9.6
167.10680	37.4
168.09361	8.5
169.10138	23.6
170.10907	8.6
171.08087	2.4
171.11685	30.7
173.09613	4.4
173.13272	25.6
175.11195	3.6
175.14769	8.9
179.08569	15.3
180.09404	6.6
181.10112	17.0
181.12099	7.5
182.10902	6.9
183.11655	25.9
184.12439	4.5
185.13248	14.6
187.11226	3.2
187.14807	7.3
189.12769	5.0
189.16212	1.5
191.14299	7.5
192.09325	5.4
193.10118	13.9
194.10939	11.6
195.11687	19.6
196.12463	5.9
197.13245	22.3
199.14841	14.4
201.12874	2.5
201.16435	5.1
203.14265	8.1
205.10178	4.2
206.10902	6.9
207.11708	18.7
207.13843	6.4
208.12460	7.0
209.13251	24.8
209.15112	3.1
210.14029	3.9
211.11195	1.9
211.14786	11.7
213.12897	2.0
213.16454	4.7
215.08456	2.2
215.14323	5.1
217.15874	7.6
218.10884	4.3
219.11647	7.0
220.12521	5.6
221.13261	14.1
221.15405	28.4
222.13995	2.5
223.14772	11.6
225.12793	2.0
225.16429	5.7
227.14383	2.2
227.18036	2.1
229.15833	3.3
230.10893	3.0
231.11705	5.7
231.17467	2.0
232.12556	3.0
233.13220	10.0
233.15411	14.2
234.13976	2.7
235.14803	10.8
236.15512	2.2
237.16383	6.9
239.14529	2.2
239.17979	5.2
243.11696	3.1
244.12405	2.5
245.13263	5.1
246.14037	4.3
247.14922	8.5
247.16988	2.0
248.15587	3.4
249.16293	9.8
250.17200	2.4
251.17955	6.5
253.19522	2.4
255.17711	2.8
257.13403	2.9
257.19019	6.2
258.13983	2.3
259.14883	4.5
260.15509	2.3
261.16299	10.2
262.17108	2.3
263.17966	6.8
265.16153	2.7
265.19510	7.9
269.16483	1.6
269.18884	8.8
271.14841	2.6
272.15732	2.2
273.16354	4.6
274.17172	3.1
275.17953	8.8
276.18771	2.3
277.19547	3.5
279.21060	2.0
281.19034	2.1
283.20612	10.7
285.16107	2.9
287.20236	2.7
289.19492	3.1
291.17581	2.5
291.20956	1.9
293.18958	2.4
295.20728	3.5
297.22049	4.1
301.19385	2.7
303.21161	2.1
309.22131	3.4
315.21033	3.0
317.22571	2.2
327.21304	2.2
331.24173	4.4
333.22202	2.3
335.23862	2.3
349.25266	5.4
357.25873	2.8
361.25372	3.0
373.25388	2.7
375.26877	4.3
403.29990	6.3
415.60046	1.6
473.34393	1.9
491.35324	2.6
509.33954	2.2
527.34650	2.3
547.39557	5.3
565.40411	22.4
583.41418	100.0
584.41980	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
53.43393	1.8
55.05511	16.6
57.07081	13.4
59.04989	3.5
65.03947	4.1
67.05505	33.5
69.03427	6.1
69.07065	24.2
71.51777	3.1
79.05493	32.5
81.03432	4.0
81.07058	40.8
83.04977	7.9
83.08620	9.7
85.06538	8.3
86.56591	1.9
91.04912	2.8
91.05483	65.9
93.07042	72.0
95.04973	14.5
95.08610	38.1
97.06532	6.5
98.98475	2.8
103.05491	5.7
105.04540	2.1
105.07030	88.3
107.08590	62.7
109.06504	11.1
109.10162	27.0
111.08065	3.1
115.05469	5.8
116.06251	4.0
117.07021	24.1
119.08578	100.0
121.06528	5.1
121.10146	57.0
123.08058	22.3
123.11739	7.4
125.05984	2.3
125.09618	3.2
128.06209	18.8
129.07019	27.2
130.07832	9.5
131.08562	43.2
133.06505	3.4
133.10135	43.6
135.08012	11.8
135.11685	18.1
137.09573	17.1
139.11238	2.9
141.06967	11.0
142.07774	41.6
142.08809	3.8
143.08556	51.2
144.09377	11.9
145.06447	3.9
145.10118	64.5
147.08041	22.6
147.11664	19.6
148.08913	2.3
149.09631	7.1
149.13283	4.2
151.07556	16.7
153.07011	7.6
154.07787	5.0
155.00998	4.4
155.08571	23.2
156.09332	28.7
157.10129	68.5
158.10980	10.0
159.08083	5.7
159.11700	31.7
161.09628	10.7
161.13257	12.6
163.11160	11.3
165.07011	9.3
165.09122	40.7
166.07819	6.0
167.08583	13.7
167.10675	18.2
168.09317	12.3
169.10139	32.3
170.10927	15.9
171.11681	40.0
172.12492	3.4
173.09622	4.1
173.13234	31.4
175.11195	5.8
175.14806	10.6
178.07828	2.5
179.08560	21.1
180.09335	11.5
181.10156	23.8
181.12204	7.7
182.10878	12.8
183.11678	42.1
184.12529	9.8
185.09691	2.8
185.13248	23.5
187.11197	4.2
187.14844	8.4
189.12802	6.1
191.14334	11.4
192.09370	8.2
193.10114	22.4
194.10944	15.8
195.11707	33.7
196.12515	7.9
197.13269	26.8
199.11269	3.1
199.14828	22.8
201.12956	2.5
201.16441	4.6
203.08640	4.3
203.14325	16.8
204.09439	3.2
205.10132	4.8
206.10928	12.4
207.11728	30.0
207.13840	9.3
208.12540	10.9
209.13255	36.2
209.15091	3.4
210.14102	4.2
211.14804	12.6
213.12825	3.4
213.16339	5.0
216.09380	3.3
217.10164	5.9
217.15834	16.6
218.11000	5.2
219.11720	12.4
220.12550	8.1
221.13271	20.2
221.15425	57.3
222.13887	3.4
223.14778	17.1
224.15634	2.6
225.16531	5.9
227.14351	3.1
229.15944	2.6
230.10928	2.9
231.11649	10.4
232.12572	6.6
233.13274	12.2
233.15382	7.9
234.14108	4.1
235.14819	20.9
236.15604	3.1
237.16350	11.2
239.17914	5.1
243.11671	5.4
243.17493	4.4
244.12625	4.4
245.13219	11.9
246.14110	7.0
247.14851	16.2
247.17007	3.4
248.15628	3.7
249.16310	12.8
250.17157	2.7
251.18018	11.5
253.19525	2.7
257.13235	5.7
257.18982	7.3
258.14066	3.1
259.14905	9.7
260.15649	7.0
261.16425	10.7
263.17984	8.8
265.19543	6.1
267.17471	2.4
269.19141	3.9
271.14642	4.1
273.16385	7.1
274.17026	2.2
275.17905	15.0
276.18695	2.6
277.19714	3.7
279.17471	3.5
281.19052	5.4
283.20569	16.5
287.20428	4.6
289.19568	5.3
291.21292	2.8
295.20715	3.7
297.16428	2.3
297.22083	3.2
301.19409	3.0
309.22183	2.6
315.21191	5.1
329.22736	3.9
331.24292	5.6
349.25372	6.0
359.23886	2.3
375.26932	6.3
381.56320	2.4
403.30225	5.5
442.72913	2.4
491.35260	5.7
503.35172	3.1
509.34335	2.4
516.25714	2.6
547.39258	3.0
565.40594	20.6
583.41522	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.05510	19.2
57.07076	12.8
59.04996	6.0
60.43110	2.1
65.03938	3.1
67.05501	26.2
69.03425	11.4
69.07067	17.3
69.33266	15.4
69.33678	2.9
79.05492	26.6
81.07059	36.2
83.04979	9.7
83.08639	10.7
85.06530	5.9
91.05484	52.8
92.98372	1.9
93.07042	58.0
93.07631	3.6
95.04980	17.6
95.08612	41.6
97.06540	7.3
98.98501	3.1
103.05460	4.4
105.07030	100.0
107.04963	2.1
107.08594	58.7
109.06540	12.3
109.10150	21.9
111.08083	4.1
115.05460	4.8
117.07019	22.9
119.08578	99.3
121.06487	6.0
121.10142	47.6
123.08057	24.2
123.11692	5.4
125.05975	4.3
128.06227	15.3
129.07027	19.7
130.07803	8.1
131.08572	42.1
132.09309	1.9
133.06505	4.7
133.10135	45.0
135.08064	15.0
135.11690	13.2
137.09610	14.7
141.06995	10.1
142.07785	34.6
142.08792	3.1
143.08557	51.0
144.09349	8.9
145.10115	58.3
146.10709	2.1
147.08051	26.2
147.11699	13.6
149.09596	5.9
149.13293	3.4
151.07535	21.8
153.07018	5.5
154.07765	5.4
155.08578	22.5
156.09358	22.1
157.10127	62.4
158.10907	13.4
159.08107	5.2
159.11687	33.2
161.09627	8.1
161.13272	10.8
163.11180	8.4
165.07028	11.9
165.09108	39.7
166.07835	4.7
167.08565	12.1
167.10632	9.7
168.09361	8.5
169.10115	32.8
170.10907	10.7
171.11679	37.4
172.12543	2.5
173.09608	5.6
173.13284	24.1
175.11200	6.3
175.14865	10.2
178.07759	3.8
179.08554	16.7
180.09386	9.6
181.10103	21.7
181.12259	6.5
182.10933	13.8
183.11676	28.1
184.12512	7.1
185.09692	2.3
185.13245	23.7
187.11249	3.9
187.14847	7.7
189.12770	7.8
191.08632	3.3
191.14310	10.3
192.09367	6.3
193.10107	22.6
194.10909	12.4
195.11711	28.1
196.12537	8.7
197.13266	26.0
199.11168	4.3
199.14841	16.0
201.12785	3.0
201.16432	2.3
203.14342	18.7
205.10168	5.3
206.10938	10.6
207.11739	23.2
207.13838	10.1
208.12427	8.2
209.13249	25.0
210.13980	3.7
211.14789	14.2
213.16389	6.6
215.14285	3.1
217.10123	4.1
217.15945	8.7
218.10934	4.5
219.11691	11.7
220.12469	5.5
221.13293	17.8
221.15419	78.7
222.14037	5.8
223.14832	17.7
224.15576	3.0
225.16431	8.6
227.14438	3.4
229.10110	2.5
229.15973	2.0
230.10921	5.0
231.11647	9.6
231.17459	4.4
232.12531	8.7
233.13251	12.7
233.15311	3.4
234.14072	5.4
235.14789	15.7
237.16455	6.6
239.17975	3.9
243.11723	4.0
244.12589	3.1
245.13213	9.5
246.14023	6.8
247.12685	2.5
247.14865	10.7
247.17056	3.4
248.15642	4.6
249.16330	9.9
251.17947	7.0
253.19379	2.8
255.17381	2.7
257.13214	3.3
257.19086	6.8
259.14862	7.9
260.15683	7.1
261.16403	9.0
263.18039	7.8
264.18796	2.2
265.19565	8.4
269.19098	2.9
271.14944	5.1
273.16312	5.6
275.17935	11.3
277.19510	5.8
281.19186	2.3
283.20599	14.4
285.16275	3.5
287.17749	4.8
287.20435	3.4
289.19604	4.0
290.20285	2.7
291.17676	2.4
291.21048	3.1
295.20590	4.3
297.22202	6.4
300.20776	3.2
303.21234	2.8
313.19574	3.4
331.24228	5.9
343.24384	3.1
347.23846	2.6
349.25357	6.4
352.23895	2.9
357.25870	2.5
361.25519	2.9
375.26874	8.7
387.26321	2.1
401.28082	2.2
403.29953	9.4
443.68338	2.5
491.35001	4.6
494.52463	2.1
503.35428	3.8
509.33734	3.7
547.39221	5.7
565.40466	28.0
583.41449	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2902
Annotation	Aralionine A
Peak:m/z	Relative Intensity
55.05503	20.8
56.39795	7.9
56.96563	15.2
57.53185	7.7
67.05504	78.8
69.07055	11.0
71.04989	9.4
71.59482	11.4
71.59843	10.1
73.80154	7.3
79.05505	24.5
81.03414	17.6
81.07057	24.6
85.02933	7.9
91.05486	18.6
93.07045	28.8
95.04971	17.2
95.08609	23.0
107.08597	24.2
109.02876	7.9
109.06490	9.7
109.10153	29.0
119.04923	11.2
121.10199	8.9
123.04434	100.0
131.08534	10.5
139.03905	35.5
145.10106	8.7
147.04379	20.3
149.06013	10.4
151.03899	52.2
153.05463	62.3
161.05959	7.3
163.03914	24.9
163.42023	7.9
165.05438	13.6
177.05482	19.4
179.03384	14.6
179.07083	26.0
191.07019	16.1
247.13319	32.3
261.14981	9.7
275.12793	29.7
277.14206	20.6
285.07593	17.7
305.13895	9.9
347.15338	8.7
385.23639	17.7
413.23267	27.5
431.23822	8.0
547.27051	10.1
583.24902	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2901
Annotation	Aralionine A
Peak:m/z	Relative Intensity
51.49557	1.9
55.01854	3.1
55.05511	9.3
56.65838	1.5
65.03926	2.4
67.05502	43.3
67.91642	1.7
69.03432	3.3
69.07070	13.1
71.58869	2.8
79.05492	18.4
81.03413	4.6
81.07052	19.2
83.04966	4.3
83.08597	3.5
91.05479	9.4
93.07047	16.2
95.04965	5.9
95.08617	16.1
97.06552	4.8
97.10168	4.9
105.07021	6.8
107.04963	8.8
107.08591	7.9
109.02886	2.4
109.10161	13.6
119.04947	6.3
119.08584	4.5
120.77370	1.8
121.10131	10.1
123.04432	100.0
125.09660	1.7
131.08516	2.4
133.06483	4.4
133.10109	3.6
135.04427	3.0
135.07996	2.2
137.05907	1.7
137.09657	1.9
139.03915	14.1
139.11171	4.2
145.10155	2.6
147.04408	20.7
149.05972	4.9
151.03914	30.3
153.05476	20.1
156.51424	2.0
157.10056	2.3
159.07942	2.0
159.11713	2.3
161.05978	6.4
163.03903	25.2
165.05501	14.5
169.04906	2.1
175.03935	4.0
175.07578	2.2
177.05479	21.8
179.03442	4.7
179.07004	12.8
187.03732	2.1
189.05469	10.9
191.07057	6.3
193.08571	1.8
201.05435	2.9
203.07054	2.3
203.12859	3.3
205.08632	3.4
222.51884	1.9
231.10210	9.9
233.11559	2.3
243.10138	2.5
247.13280	37.4
259.13303	3.8
261.14856	2.1
273.14966	1.9
275.12747	6.0
275.20111	2.6
277.14395	9.0
283.15283	2.4
285.07648	9.6
287.12805	3.0
305.13834	3.8
313.10382	1.9
317.13641	2.0
355.15396	6.0
365.13806	2.6
385.23782	9.1
395.22223	4.9
407.22070	1.8
409.16287	2.7
413.23297	23.2
421.16391	2.5
425.23166	4.2
431.18787	3.1
431.24332	44.6
437.23572	1.9
439.17374	3.2
477.18933	4.5
529.25934	2.7
547.26611	6.9
565.27679	8.0
583.34772	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.45144	1.7
55.01872	2.9
55.05506	7.0
55.13936	1.4
56.96566	1.5
65.03940	3.4
67.05504	74.6
69.03419	3.1
69.07057	5.1
71.05021	1.4
76.58877	1.5
79.05491	18.2
79.25813	1.5
81.03416	5.3
81.07057	18.1
83.04991	2.2
83.08614	4.3
91.05474	13.0
92.59626	1.4
93.07053	12.9
95.04972	5.0
95.08594	10.1
97.02877	2.6
97.06523	3.3
97.10175	2.3
105.03405	2.5
105.07030	9.5
107.04961	3.9
107.08571	9.4
109.02843	2.4
109.06480	2.0
109.10159	18.9
117.06995	4.1
119.04933	6.1
119.08552	6.2
121.06490	1.7
121.10149	7.4
123.04425	100.0
124.04752	2.0
129.07028	2.4
131.08568	3.6
133.06467	2.7
133.10126	6.0
135.04436	3.6
135.08026	2.0
137.02357	1.7
137.05963	4.3
137.09619	2.3
139.03885	17.8
141.05432	2.8
141.07002	2.0
143.08569	2.1
145.10106	2.8
147.04404	22.2
149.05971	2.9
151.03902	38.3
151.05109	2.1
153.05470	38.1
159.04286	2.4
159.11700	2.5
161.05963	5.9
163.03889	21.3
163.07468	2.2
165.05504	15.5
167.07053	2.0
169.04994	1.8
173.05980	2.5
175.03889	3.3
175.07487	1.9
177.05476	13.9
179.03461	6.4
179.07048	15.6
181.05006	2.3
187.03978	2.2
187.07608	3.3
189.05452	9.5
191.07027	13.6
199.07655	2.4
201.05553	2.4
203.07057	3.6
205.08630	3.2
213.09132	1.8
215.07027	4.7
217.08618	2.7
219.10249	1.6
227.07089	2.1
229.08633	2.0
231.10179	2.3
241.12332	3.1
245.11766	2.2
247.13316	27.3
257.07700	1.8
257.11780	3.1
259.13309	6.4
261.14880	4.1
271.05917	1.9
271.13315	2.5
275.12750	18.3
275.20041	3.9
277.14349	22.2
285.07614	13.7
287.12775	8.8
289.14417	1.9
293.13873	2.8
295.15460	2.3
299.12518	3.2
301.14404	1.9
303.08777	2.7
305.13931	8.0
313.10699	2.3
317.13748	4.0
319.15439	6.3
323.09500	2.4
329.13699	2.9
331.11801	2.7
341.17517	1.8
359.18570	2.7
367.22681	2.7
385.23743	8.3
395.22113	6.1
403.24820	5.2
409.16348	4.2
413.23251	20.4
421.16492	4.9
425.23181	1.9
427.17465	2.9
431.24265	9.5
437.15884	2.2
439.17337	5.0
450.42026	1.8
451.17398	5.1
479.20044	1.7
479.26205	5.7
493.21951	2.1
511.23566	2.8
529.26025	3.3
547.27161	8.0
565.27771	3.8
583.25366	3.1
583.34998	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	582.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.01855	9.4
56.55461	3.4
57.03429	4.4
61.02908	3.1
66.15411	3.0
67.05508	6.2
68.99799	3.4
69.03432	22.8
70.06575	5.3
71.04986	6.1
71.58687	4.2
71.59137	3.2
72.08192	2.6
73.02922	8.8
76.03145	3.1
77.25549	2.5
79.05497	8.9
80.89849	3.0
81.03408	24.1
81.07031	3.9
84.60413	3.0
85.02909	59.1
87.00831	19.0
91.05489	14.0
93.07050	14.1
95.04955	5.1
97.02895	30.2
99.04459	13.6
105.01857	18.3
105.07039	19.9
107.04957	100.0
107.08587	10.4
109.02905	17.5
109.06501	3.3
110.38427	3.1
119.08585	3.9
121.06487	13.2
121.10126	3.7
123.04416	4.8
127.03923	46.6
129.06940	3.1
130.78389	2.8
131.04887	3.8
131.08588	20.2
133.06491	86.8
133.07442	5.3
135.08089	4.3
137.05997	4.9
145.04959	18.2
145.06497	5.2
147.08060	6.3
149.09613	53.7
157.06516	14.0
159.02892	12.0
159.08110	3.7
167.07147	5.2
171.08151	3.3
172.08757	3.4
173.06075	4.1
173.09636	3.6
173.21414	2.8
177.05408	3.2
181.04877	3.2
183.14006	2.9
185.09663	4.3
187.11189	7.3
189.03951	23.6
217.08653	9.7
231.05019	10.8
255.13661	5.4
259.92029	3.0
263.14420	9.7
281.15356	70.2
299.16400	18.0
327.70969	3.3
367.17636	2.9
381.11752	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	581.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01876	2.0
55.05513	26.9
55.11610	1.5
57.03436	2.0
57.07076	4.2
59.05001	2.6
65.25951	1.5
67.05502	37.4
69.07065	20.9
71.20974	2.8
73.06574	2.5
79.05489	25.8
79.05900	2.0
81.07055	45.1
81.07516	2.3
83.04977	2.7
83.08619	13.3
85.06559	3.7
91.05486	26.6
93.07047	30.6
95.04989	3.9
95.08606	43.0
97.06536	4.6
97.10180	7.6
98.78064	1.4
102.81402	1.5
105.07034	33.2
105.07681	2.6
107.08591	24.9
109.06505	3.7
109.10156	15.9
111.08106	3.5
115.05462	3.6
117.07014	20.4
119.08574	31.7
119.09322	2.4
120.26632	1.5
121.10164	15.9
123.08089	4.7
123.11732	4.3
125.09628	2.9
128.06265	5.9
129.06998	16.7
129.07735	1.6
129.26622	1.4
131.08572	38.8
131.09509	2.2
133.10132	28.1
133.11099	2.3
135.08081	2.1
135.11697	8.1
137.09663	1.6
139.11194	3.4
141.07036	6.4
142.07809	7.2
143.08557	26.8
144.09438	1.8
145.10112	27.8
145.11119	1.9
147.11655	11.8
149.09642	2.4
149.13342	5.2
152.06125	1.9
155.08545	15.5
156.09514	1.6
157.10130	26.0
159.11687	21.4
161.13359	5.4
163.14885	2.7
167.08601	3.7
167.10681	4.1
168.09409	2.7
169.10124	17.2
171.11673	24.9
173.13260	15.1
175.14850	5.4
177.16409	2.4
179.08522	2.2
181.10187	7.8
183.11687	17.9
185.13257	17.9
187.14799	8.3
189.16373	2.3
193.10121	1.7
195.11705	8.9
197.13269	14.8
199.14845	13.3
201.16435	3.8
203.17865	1.8
206.55963	1.6
207.11765	2.2
209.13380	4.8
211.14919	7.0
213.16385	9.1
221.13396	4.2
221.15465	2.1
223.14917	4.4
225.16536	5.5
227.18044	6.1
235.14812	2.8
237.16461	4.0
239.18028	3.1
241.19724	3.3
249.16403	1.7
251.17900	1.7
251.20319	1.9
253.19644	2.9
257.19293	1.8
263.20206	2.4
281.22885	1.5
313.21753	1.8
315.23410	2.1
317.24899	2.3
321.22195	2.1
327.23294	1.6
329.24792	2.5
331.26471	3.1
341.24979	2.7
343.26385	2.5
345.27713	3.0
351.26968	3.3
355.26495	5.7
357.28290	2.2
365.28705	2.2
369.28223	2.8
371.29556	1.9
383.29584	5.5
397.31122	2.7
411.32764	1.7
425.34189	3.1
447.32935	3.4
473.36206	2.2
495.16891	1.6
499.39111	2.5
511.38068	2.7
512.38391	1.8
517.40283	12.3
531.41998	1.8
549.43060	24.1
581.45850	100.0
582.46338	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	581.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.3
53.92408	5.2
55.05505	27.2
57.03428	7.4
57.07072	9.4
67.05505	100.0
67.09749	5.7
69.03426	9.2
69.07061	30.0
71.08608	8.1
71.59206	7.0
71.59579	6.3
72.19288	5.6
73.02898	6.1
79.05499	37.9
81.03413	11.1
81.07050	97.4
83.04926	6.8
83.08602	21.4
85.02869	7.4
85.06557	6.6
88.45374	6.3
91.05461	51.0
93.07057	35.7
95.04951	12.0
95.08613	79.3
97.06510	6.4
97.10161	19.5
105.07040	42.5
107.08561	29.8
109.02888	8.2
109.10144	42.8
111.08080	8.0
117.06960	7.0
119.08559	38.7
121.10136	46.4
123.08044	7.0
123.11713	16.5
125.09655	7.9
128.89841	6.5
129.06949	10.6
131.08582	17.5
133.10126	30.4
135.11716	14.7
137.09634	6.6
137.13283	7.9
143.08589	9.9
145.10065	9.6
147.11676	25.0
149.09618	8.3
149.13264	10.7
151.07503	6.5
155.08687	6.6
155.14278	6.3
157.10188	14.2
159.11670	10.5
161.09564	6.5
161.13327	18.2
163.14842	7.6
165.16431	6.8
167.10648	7.7
169.10027	8.2
175.14809	9.7
179.17964	8.1
191.00133	5.9
196.12424	8.5
202.13138	7.2
221.15388	8.8
227.12779	7.8
245.22688	36.3
263.23700	42.4
337.27286	25.1
563.39063	8.7
580.38385	6.9
581.39905	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	581.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01867	1.3
57.03436	0.6
61.02933	0.3
62.08466	0.2
65.03932	0.6
69.03417	0.5
69.60676	0.4
69.61091	1.3
73.02921	0.5
75.39358	0.2
77.03903	0.3
79.05484	1.2
81.03403	1.0
85.02903	3.0
85.47516	0.2
95.01334	0.4
95.04964	1.9
97.02903	1.6
103.03945	0.4
103.05470	0.4
105.07041	0.3
107.04951	100.0
108.05284	0.8
109.02869	0.8
115.05448	0.3
117.07016	0.3
119.04932	0.5
121.02856	2.2
121.06504	0.7
123.04402	0.6
127.03916	0.7
128.06204	0.3
129.06937	0.3
131.04945	1.3
133.06502	0.4
133.26251	0.2
135.04434	0.6
136.30905	0.2
137.05988	0.5
139.03880	1.4
145.06470	0.8
147.04443	1.1
149.02338	0.4
149.05975	1.0
151.03923	1.4
157.06509	0.6
159.04408	0.7
161.05978	0.9
163.03899	2.2
165.05545	0.3
167.03423	0.3
167.07060	0.3
169.06471	0.5
171.04375	0.5
171.08060	0.2
173.02454	0.2
173.06029	1.2
175.03899	2.2
175.07484	0.2
177.05435	1.7
179.03506	0.3
181.04997	2.4
181.06485	0.5
185.06012	0.9
187.03911	2.3
187.07545	0.3
189.05421	1.1
191.03375	1.0
191.06995	0.5
193.04961	3.1
195.02950	0.2
197.05991	0.9
199.03912	0.6
199.07620	0.3
200.04279	0.2
201.01836	0.3
201.05428	1.8
203.03328	0.6
203.07071	0.7
205.04959	5.7
211.04089	0.3
211.07687	0.3
213.05461	1.8
215.03433	0.5
215.07115	0.5
217.04976	4.0
219.02945	0.9
219.06488	2.1
221.04411	1.6
223.05934	1.5
225.05511	0.8
227.03398	0.3
227.07010	0.8
229.04985	2.4
231.06497	2.1
233.04448	0.7
235.05931	1.6
237.05493	0.4
239.07085	0.5
241.04994	1.6
243.06474	1.8
245.04491	0.6
245.08037	0.5
247.06012	6.1
251.06987	0.2
253.04955	0.9
255.06458	1.1
257.04529	0.8
257.08163	0.4
259.06018	7.3
267.06418	0.6
269.04507	0.5
269.07980	0.3
271.06003	3.9
273.07565	1.3
275.05579	0.5
277.06979	1.0
279.06500	0.7
281.04565	0.3
281.07913	0.4
283.05963	2.2
285.07434	1.1
287.05557	1.1
287.09143	0.9
289.07013	3.1
293.08047	0.5
295.06049	1.0
297.07584	0.9
299.05661	0.4
299.08990	1.8
301.07013	4.1
301.10141	0.3
307.05609	0.3
307.09045	0.3
309.07825	0.3
311.05753	0.4
311.09164	1.5
313.07068	3.1
317.10318	0.5
319.08423	0.4
323.09091	0.7
325.07059	3.2
327.08551	0.7
329.10193	2.8
335.08878	0.7
337.07077	0.8
339.08850	0.4
341.10156	1.9
343.08112	1.4
347.08954	0.3
353.10159	7.4
354.85455	0.3
355.07843	1.3
359.09024	0.5
361.09109	0.4
363.08536	0.3
365.10217	4.7
367.08084	0.7
373.09714	0.3
377.10196	2.3
383.11194	5.4
384.10629	0.2
385.09131	0.4
389.10193	1.8
391.11334	0.3
393.09607	0.7
395.11246	8.8
396.11664	0.3
401.10681	0.4
403.11145	0.3
405.09409	0.3
407.11264	7.1
411.10883	0.5
413.12430	4.0
419.11154	6.9
421.12335	0.3
425.12347	3.2
429.11667	0.8
431.13452	11.8
433.12701	0.2
437.12164	0.7
443.13400	2.1
449.12317	7.2
461.12354	4.9
467.13422	3.1
472.26129	0.3
473.12396	1.4
479.13391	5.1
485.14407	2.2
491.13455	2.2
491.28488	0.3
497.14386	6.8
498.14847	0.4
509.14377	3.2
527.15576	2.8
545.16522	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
54.54021	5.9
55.01867	14.9
55.05504	32.1
57.03434	16.3
61.02914	7.0
67.05505	100.0
69.03424	10.6
69.07072	53.9
69.59049	13.1
69.59456	43.9
71.04980	9.4
77.03970	6.1
79.05491	47.5
81.03433	33.7
81.07069	73.2
83.04970	11.9
83.08617	12.4
85.02901	16.3
91.05470	58.7
93.07057	45.5
95.04970	19.2
95.08616	53.6
97.02882	14.2
97.06522	18.2
97.10139	9.6
98.21494	7.8
100.34163	5.3
105.07051	37.0
107.04933	15.9
107.08589	20.9
109.06522	16.7
109.10139	28.9
110.20283	5.6
117.07014	12.7
119.08584	25.6
121.06475	13.4
121.10172	14.5
123.04441	9.6
123.08083	10.0
123.11712	8.2
127.03917	25.2
129.06992	9.5
131.04964	8.2
131.08589	16.9
133.06448	6.0
133.10144	27.2
135.04436	10.3
135.11708	15.3
137.09526	8.2
139.03897	14.1
145.10115	16.5
147.04346	10.6
147.11708	17.0
149.09604	18.7
151.03876	7.4
151.11186	6.9
159.11678	16.3
161.13234	8.0
163.11235	11.2
167.07005	7.0
171.10135	12.1
173.11777	12.8
175.03848	6.9
177.12683	8.0
181.04984	9.3
191.07036	9.8
197.21651	6.1
229.14410	28.3
269.17535	8.6
275.20035	40.3
349.23703	77.6
351.25201	6.8
367.24744	7.8
383.99054	7.4
548.19727	19.2
551.55664	7.8
584.67645	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	579.423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.0
71.17282	3.3
79.76359	1.4
95.08556	1.6
102.67788	1.4
103.62975	1.3
109.10129	2.1
110.07121	1.3
262.28461	1.6
267.15677	5.3
323.18256	8.2
327.45349	1.5
483.75034	1.4
579.42346	100.0
580.42615	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	579.3893
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
55.01866	6.8
55.05511	37.7
55.31801	3.8
57.03438	17.6
57.07068	7.4
57.53214	2.9
59.05002	5.1
65.03940	5.2
67.05505	100.0
69.07057	27.3
71.04990	7.6
71.59314	5.7
79.05492	60.0
81.03422	12.7
81.07055	87.4
83.05010	7.7
83.08611	18.3
85.02855	4.0
85.06540	5.0
91.05479	43.5
93.07042	72.1
95.04984	18.5
95.08609	65.3
97.06529	9.3
97.10168	15.1
105.07041	38.9
107.04927	11.2
107.08588	41.0
109.06530	5.0
109.10161	42.8
111.04469	3.9
117.07023	11.9
119.08575	35.2
121.06483	5.8
121.10142	42.1
123.04435	5.0
123.08086	7.3
123.11687	8.9
125.09624	9.9
129.07024	7.4
131.08560	28.2
133.10114	19.9
135.08073	5.3
135.11659	16.6
138.16463	3.3
139.11201	7.5
143.08611	8.0
145.06532	5.6
145.10139	24.5
147.11685	13.2
149.09631	9.6
149.13306	7.6
151.11241	4.0
153.12691	4.1
157.10143	5.0
159.11760	11.8
161.13260	6.9
163.11179	12.2
163.14792	6.0
165.12738	4.5
171.11754	5.4
173.09616	5.9
173.11787	8.1
173.13240	6.9
175.14827	4.4
181.12239	5.0
183.11684	4.4
185.13313	6.5
187.14830	5.6
191.10757	8.5
193.12216	5.7
199.14984	4.6
209.11758	6.2
210.50645	3.5
211.13315	4.1
222.66066	3.7
227.12877	10.8
229.14366	13.2
245.13834	10.3
261.22168	12.1
267.15927	7.9
277.21622	7.5
283.15454	7.2
300.40128	3.6
301.16449	10.0
303.23541	4.0
333.24832	10.3
335.25839	16.0
353.26654	41.8
363.25305	6.5
469.33176	8.0
477.37723	3.6
489.35666	13.7
543.36639	19.4
561.30109	5.0
561.37646	25.7
579.27344	6.6
579.38574	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	579.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.8
55.05511	37.7
55.31801	3.8
57.03438	17.6
57.07068	7.4
57.53214	2.9
59.05002	5.1
65.03940	5.2
67.05505	100.0
69.07057	27.3
71.04990	7.6
71.59314	5.7
79.05492	60.0
81.03422	12.7
81.07055	87.4
83.05010	7.7
83.08611	18.3
85.02855	4.0
85.06540	5.0
91.05479	43.5
93.07042	72.1
95.04984	18.5
95.08609	65.3
97.06529	9.3
97.10168	15.1
105.07041	38.9
107.04927	11.2
107.08588	41.0
109.06530	5.0
109.10161	42.8
111.04469	3.9
117.07023	11.9
119.08575	35.2
121.06483	5.8
121.10142	42.1
123.04435	5.0
123.08086	7.3
123.11687	8.9
125.09624	9.9
129.07024	7.4
131.08560	28.2
133.10114	19.9
135.08073	5.3
135.11659	16.6
138.16463	3.3
139.11201	7.5
143.08611	8.0
145.06532	5.6
145.10139	24.5
147.11685	13.2
149.09631	9.6
149.13306	7.6
151.11241	4.0
153.12691	4.1
157.10143	5.0
159.11760	11.8
161.13260	6.9
163.11179	12.2
163.14792	6.0
165.12738	4.5
171.11754	5.4
173.09616	5.9
173.11787	8.1
173.13240	6.9
175.14827	4.4
181.12239	5.0
183.11684	4.4
185.13313	6.5
187.14830	5.6
191.10757	8.5
193.12216	5.7
199.14984	4.6
209.11758	6.2
210.50645	3.5
211.13315	4.1
222.66066	3.7
227.12877	10.8
229.14366	13.2
245.13834	10.3
261.22168	12.1
267.15927	7.9
277.21622	7.5
283.15454	7.2
300.40128	3.6
301.16449	10.0
303.23541	4.0
333.24832	10.3
335.25839	16.0
353.26654	41.8
363.25305	6.5
469.33176	8.0
477.37723	3.6
489.35666	13.7
543.36639	19.4
561.30109	5.0
561.37646	25.7
579.27344	6.6
579.38574	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	579.283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00449	1.8
53.03946	3.3
55.01868	4.4
55.05512	10.1
55.62176	1.6
57.03434	6.5
57.07063	3.8
65.03945	2.4
67.05504	79.3
69.03428	3.9
69.07060	13.1
70.07310	7.2
71.04996	4.0
71.08626	2.1
73.02922	4.2
75.04440	2.1
79.05488	37.8
81.03407	5.8
81.07053	81.9
83.04981	2.9
83.08627	8.4
85.02924	3.6
85.06523	2.5
91.05480	21.5
93.07037	49.3
95.04926	2.5
95.08608	61.8
97.02898	3.5
97.06521	2.5
97.10145	4.1
98.98456	10.8
99.04449	2.3
99.08092	3.3
105.07018	20.2
107.04944	2.0
107.08584	32.8
109.02885	10.2
109.10155	30.7
109.35308	1.4
110.03666	2.9
111.04446	3.7
111.08134	1.6
113.09623	1.5
117.06981	9.6
119.08572	18.6
121.10133	29.1
123.11708	22.8
127.03865	3.4
131.08574	21.4
133.10130	13.5
135.11693	26.2
137.13260	7.4
145.10138	14.3
147.11694	9.9
149.13246	16.9
151.11194	1.8
151.14784	2.6
155.01054	6.2
155.08508	1.7
157.10107	1.9
159.11661	11.6
161.13254	9.4
163.14801	12.9
165.12767	2.1
167.14368	1.6
173.13283	16.6
175.14844	4.3
175.95863	1.5
177.12730	1.5
177.16389	4.8
187.14816	8.6
191.00024	3.4
201.16422	2.1
233.22693	3.6
243.21083	30.6
261.22131	100.0
263.23627	3.3
270.32944	1.6
273.22302	1.9
279.23199	5.5
303.23251	2.3
317.24683	2.3
335.25790	21.9
337.27652	3.6
353.26874	71.1
369.24213	5.1
377.26712	1.8
408.40561	1.7
425.27435	2.6
428.57385	1.9
443.27921	2.3
451.21338	2.8
561.27106	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	579.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01858	4.7
55.05502	12.1
57.03433	5.7
57.07058	4.4
57.96953	1.1
65.03931	1.5
65.08136	1.2
67.05505	69.1
69.03416	3.4
69.07063	11.6
69.87231	5.8
69.87649	3.0
71.04971	2.2
71.08607	2.3
73.02917	4.2
79.05494	35.8
79.05956	1.8
81.03407	5.1
81.07056	66.6
83.04967	2.2
83.08615	7.1
85.02889	4.2
85.06547	2.2
91.05476	18.4
93.07043	50.7
94.07404	1.3
95.04948	4.0
95.08605	53.9
97.02921	2.3
97.06541	3.0
97.10174	2.4
99.04440	2.0
99.08089	2.8
105.07030	15.0
107.07880	1.9
107.08597	32.7
109.02835	8.1
109.06494	3.1
109.10155	31.6
110.03645	2.8
111.04431	4.7
113.09626	1.3
117.07024	10.0
119.08586	13.5
120.85825	1.4
121.10142	27.3
123.04430	1.9
123.07976	2.3
123.11696	21.5
125.09625	1.4
127.03912	8.2
129.06985	2.1
131.08575	18.2
133.10124	13.7
135.11681	23.4
137.09619	1.8
137.13257	7.3
139.03888	1.9
139.11188	1.7
145.06427	1.4
145.10120	18.2
147.11707	10.3
149.09491	1.4
149.13260	15.9
151.11182	2.0
151.14838	3.7
159.11665	12.5
161.13269	10.4
163.11154	1.8
163.14827	12.0
165.12773	2.2
173.13260	13.6
175.14948	2.7
177.16438	4.8
179.14272	1.6
181.43837	1.2
187.14847	8.3
191.00131	3.9
201.16376	4.0
205.15967	1.3
219.17493	1.7
233.22615	4.8
243.21111	27.4
245.13774	3.2
259.20828	1.3
261.22141	100.0
262.22586	2.4
263.23743	1.5
277.21603	1.7
279.23254	6.8
293.06784	1.3
303.23203	3.6
317.24606	2.2
335.25775	20.1
353.26874	64.7
369.24442	1.5
377.26465	1.6
451.21826	1.7
561.27350	3.8
561.37286	1.6
575.41461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01858	2.1
56.58492	2.1
57.03431	2.3
62.15093	1.8
68.99774	5.2
69.57276	15.5
73.02943	1.9
77.03949	2.3
79.05495	4.1
81.03400	6.3
85.02894	9.9
91.05482	2.1
93.03398	2.6
95.04971	3.7
97.02880	3.7
98.21475	4.0
103.03982	5.1
103.05457	6.9
104.05821	2.9
105.02278	2.0
105.03384	29.0
107.04949	5.8
109.02878	6.0
111.04395	2.4
121.02829	4.1
122.22389	1.9
123.04420	48.1
127.02959	4.1
127.03909	84.0
129.03391	3.0
131.04922	13.5
132.05206	3.4
135.04410	33.1
137.02281	3.1
137.05931	3.0
139.03886	45.1
143.04883	2.1
147.04381	12.6
149.02304	4.9
151.03868	8.4
155.04903	2.3
159.04355	5.6
161.05960	3.2
163.03891	30.7
163.07513	2.9
165.05516	4.9
167.03389	7.9
167.07005	5.2
169.06505	2.4
173.06000	4.2
175.03896	3.6
177.05414	4.3
179.03401	5.5
181.04895	3.0
185.06116	2.2
187.03870	6.7
189.01831	6.2
191.03392	17.4
193.04987	7.1
195.02882	6.1
195.08005	2.1
197.06004	3.1
201.05447	7.7
203.03377	14.6
205.05023	4.6
207.02892	5.7
213.05444	4.9
215.03499	3.1
217.05011	4.7
219.02890	2.8
221.04538	2.5
229.04945	8.7
233.04436	6.0
239.06863	2.1
243.06416	4.7
245.04384	8.6
247.05957	14.1
251.06955	4.1
252.07832	4.8
255.02832	3.5
255.06615	3.7
257.04343	12.0
259.06015	7.0
263.07153	2.7
265.08569	9.2
267.06540	7.2
268.07196	3.8
269.04266	2.6
271.05981	19.3
273.04077	3.2
275.05377	15.3
277.08603	4.4
278.05756	25.3
278.08667	3.1
279.06516	81.7
280.07184	8.1
281.07983	10.2
283.06027	9.4
285.07410	3.7
287.05460	21.0
289.07141	7.0
291.06375	55.9
292.07275	20.6
293.05093	3.1
293.07941	15.0
297.07510	13.6
299.05389	4.7
301.07181	6.6
303.06494	7.3
304.07211	5.2
305.08069	35.7
306.08777	11.7
307.06207	3.4
307.09610	6.3
309.07541	100.0
317.08066	9.8
319.06158	4.0
319.09647	14.2
320.06845	4.8
321.07559	70.0
323.09122	2.3
329.08044	5.3
331.09488	12.1
333.07486	32.1
335.09082	27.4
339.08606	22.4
341.08167	3.8
343.09427	2.2
345.07574	25.3
345.11377	2.2
347.09097	9.2
349.10699	9.2
351.08545	5.5
357.07465	6.1
358.08224	2.5
359.09152	14.1
363.08618	57.4
369.07361	3.6
371.09186	5.3
373.10617	5.7
375.08575	30.4
385.10522	3.4
387.08585	31.5
393.09628	48.8
399.08926	4.6
401.10046	2.5
405.09668	30.1
409.09116	17.6
411.10739	42.1
417.10062	9.4
423.10825	33.4
427.10248	3.2
429.10107	6.3
435.10757	6.0
441.11792	74.0
447.10629	5.6
459.12616	11.8
465.11691	23.7
471.10617	2.8
477.11542	3.8
483.12875	11.5
489.11707	7.6
495.12732	14.7
507.13010	18.2
513.13782	3.2
525.13910	23.9
543.14990	11.6
561.15985	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1497
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
55.01870	1.9
67.05512	1.6
68.79829	1.0
68.99794	4.5
69.45364	4.1
69.45800	5.7
70.06582	1.8
81.03445	2.5
82.07415	1.2
91.05491	1.6
95.04968	3.3
103.05482	1.0
105.03403	2.3
107.04972	3.0
109.02842	2.6
111.00809	2.5
111.04451	2.5
115.05447	1.1
119.04935	4.3
121.02859	1.5
123.04426	100.0
127.03912	88.2
131.04880	1.3
135.04408	31.3
137.02332	2.3
137.06032	1.2
139.03897	38.6
147.04404	15.2
149.02361	4.2
149.05959	2.0
151.03876	7.1
157.06528	1.5
159.04472	3.4
161.05939	5.0
163.03896	40.9
165.05466	10.2
167.03418	5.7
173.06038	3.9
175.03949	3.9
177.05498	3.6
179.03413	4.6
181.04909	2.6
183.04482	1.3
185.06075	1.7
187.03867	5.3
189.05516	4.1
191.03383	10.5
193.04936	6.6
197.06020	2.6
201.05418	5.1
203.03365	10.6
203.07069	2.1
204.32748	1.3
205.04985	2.9
207.06569	1.9
213.05411	2.4
215.03236	1.3
215.07021	2.5
217.04953	3.1
225.05417	2.0
229.04994	9.3
231.06487	1.7
233.04517	4.3
241.04964	2.2
243.06548	4.5
245.04491	14.1
247.06013	16.4
253.04919	1.3
255.06528	2.4
257.04434	16.1
258.05334	1.6
259.06067	7.4
269.04486	2.9
271.06024	18.3
273.07471	2.8
275.05472	16.4
283.05984	7.1
285.07919	2.3
286.90588	1.1
287.05499	42.4
289.07059	11.3
291.08636	9.8
299.05524	10.4
301.07080	12.0
303.08551	3.6
311.05731	1.7
313.07162	2.0
313.11844	2.2
333.09485	1.2
409.03723	2.2
409.09186	39.1
410.09494	1.3
411.10828	3.6
421.09058	3.5
427.10135	5.5
433.09171	1.2
435.10654	3.2
439.10287	4.3
451.10504	1.6
453.11554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
53.03905	0.7
54.65265	0.6
55.01854	1.4
56.51220	0.6
65.03909	1.2
67.01831	0.8
68.99792	5.0
70.45869	2.7
74.62081	0.7
77.03883	0.8
81.03403	3.2
89.03916	1.0
91.05451	2.1
93.03387	1.0
95.04954	2.4
99.04440	1.6
105.03407	2.2
107.04982	4.2
109.02889	3.8
111.00808	2.3
111.04436	2.7
115.05468	0.9
119.04946	5.1
121.02850	1.9
123.04429	97.1
127.03918	100.0
131.04942	2.5
135.04416	37.1
137.02423	3.8
137.06059	0.9
139.03902	36.8
141.06970	1.3
143.04973	1.2
145.06590	1.3
147.04407	13.0
149.02335	3.6
149.06010	1.7
151.03905	6.2
155.04938	1.3
157.06453	0.8
159.04393	3.8
161.05931	4.5
163.03908	41.8
165.05490	9.1
167.03421	6.2
169.05043	1.0
169.06511	1.5
173.06020	4.3
175.03946	4.0
177.05475	4.0
179.03391	6.6
179.07082	1.2
181.04982	2.5
185.06046	1.9
187.03885	5.6
187.07515	0.8
189.05522	3.6
191.03412	10.5
193.04958	6.5
197.05984	3.6
201.05489	7.0
203.03392	11.4
203.07120	2.6
205.05077	2.8
207.06589	2.9
213.05525	2.3
215.03468	1.8
215.06984	3.4
217.04900	3.7
225.05540	1.0
229.04967	7.8
231.06673	1.9
233.04430	3.5
237.05652	0.9
241.05177	2.7
243.06514	4.5
245.04436	13.8
245.06721	0.9
247.06038	17.0
253.05069	1.7
255.06676	2.2
257.04474	17.8
257.07031	1.0
258.05347	2.2
259.05984	5.3
261.07684	0.8
269.04483	3.3
271.06003	21.4
273.07849	1.8
275.05527	13.8
283.05951	7.2
285.07745	2.5
287.05505	39.3
289.07047	8.5
291.08609	10.1
293.72855	0.8
295.06235	1.1
299.05530	9.3
301.07053	9.8
303.08878	2.9
311.05640	1.2
313.07275	1.8
409.09195	30.0
410.10620	0.8
411.10764	4.6
427.10315	4.6
435.10645	4.3
439.10724	3.1
514.48132	0.7
561.14343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
67.05528	1.0
68.99468	0.9
68.99787	5.1
70.90735	1.2
70.91097	1.9
81.03427	2.9
95.04967	2.2
97.93702	1.0
102.16854	1.0
105.03384	1.5
107.04962	4.0
109.02883	3.3
111.00825	2.6
111.04435	3.8
115.05506	1.0
119.04949	2.0
121.02905	1.8
123.04428	47.5
127.03918	100.0
131.04932	2.3
135.04422	35.0
137.02347	2.4
137.05994	1.3
139.03902	52.2
143.04935	1.0
145.06541	1.7
147.04390	8.4
149.02370	3.7
149.05974	2.0
151.03902	7.9
159.04431	4.4
161.05995	3.4
163.03906	34.7
165.05511	6.4
167.03404	6.6
169.06396	2.1
173.05994	3.3
175.03874	5.0
177.05429	4.2
179.03406	3.5
183.04387	1.4
184.91718	0.9
187.03877	6.4
189.05571	1.6
191.03394	11.1
193.05013	3.4
197.05927	4.8
201.05479	7.1
203.03369	7.9
203.06966	1.3
205.04974	3.1
207.06543	1.8
213.05507	1.9
215.07018	2.6
217.05072	1.4
225.05516	2.3
229.05017	5.9
231.06517	2.2
233.04497	5.6
243.06520	4.4
245.04495	7.2
247.06030	15.6
251.05409	1.9
253.04990	1.7
257.04428	8.9
259.06027	9.3
261.07407	1.2
269.04526	2.9
271.05994	18.4
273.07739	1.7
275.05508	14.6
283.06009	7.4
287.05496	21.8
289.07080	10.1
291.08582	10.5
299.05466	4.3
301.07086	11.7
303.08408	2.2
315.08615	1.0
328.25314	0.9
409.09198	19.6
411.10751	2.7
427.10336	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	579.1493
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.02400	1.1
54.16233	1.1
55.01867	1.6
55.70088	1.0
64.80077	1.0
65.03940	1.4
68.99780	4.9
71.37857	1.1
71.38181	1.8
79.29436	0.9
81.03415	3.8
85.18288	1.0
89.03906	1.7
91.05476	1.1
93.03426	1.2
95.04970	2.6
97.93752	1.0
105.03399	1.2
107.04948	3.4
109.02879	3.6
111.00817	2.3
111.04445	3.1
119.04949	1.2
121.02862	2.3
123.04427	44.0
127.03914	100.0
131.04926	2.2
135.04416	29.8
137.02356	2.3
139.03902	50.5
139.61870	1.1
141.07025	1.3
147.04417	4.4
149.02332	3.9
149.06003	3.0
151.03886	4.9
151.05109	0.9
158.21701	1.0
159.04401	3.8
161.05998	4.1
163.03906	32.1
165.05478	6.5
167.03410	7.7
169.06474	2.1
173.06030	1.9
175.03928	4.6
177.05499	4.1
179.03389	3.0
183.04382	1.3
185.06107	1.2
187.03903	6.7
189.05553	3.4
191.03418	11.1
193.04945	3.8
197.06017	3.9
201.05420	6.3
203.03326	8.5
203.07059	1.9
205.04959	3.3
207.06613	1.3
213.05499	1.8
215.03485	1.6
215.07057	2.5
215.29506	1.1
217.04987	1.1
225.05516	1.3
229.05051	6.6
229.16570	1.0
231.06601	1.3
233.04507	3.9
241.05063	1.4
243.06587	5.3
245.04468	5.8
247.06006	14.5
251.05556	2.2
253.05008	1.5
255.06558	1.4
257.04410	9.5
259.06015	8.9
269.04437	2.3
271.06039	15.1
275.05472	16.8
283.05908	4.8
287.05515	19.4
289.07043	9.5
291.08563	10.9
299.05487	4.0
301.07120	8.8
303.08606	2.2
312.96616	1.1
333.54813	1.1
339.36179	1.1
409.09143	17.7
411.10544	2.1
421.09222	1.9
427.10220	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	579.1495
Annotation	Procyanidin B8
Peak:m/z	Relative Intensity
51.02344	0.8
54.82671	0.7
55.01875	1.6
58.45094	0.8
67.05482	0.8
68.99789	5.1
71.32030	0.8
71.32361	1.3
77.03934	1.1
81.03425	4.1
85.02969	0.9
85.30734	0.8
93.03402	1.0
95.04937	1.1
95.81016	0.8
99.04439	1.1
103.05483	1.4
105.03396	1.2
107.04951	4.0
109.02873	3.7
111.00825	1.6
111.04433	2.3
119.04943	1.4
121.02841	1.5
123.04424	36.9
127.03913	100.0
128.04234	1.6
131.04906	1.7
131.13835	0.8
135.04416	30.7
137.02377	2.0
139.03899	41.9
140.04248	1.1
141.06985	1.9
143.04903	1.0
144.88013	0.8
145.02863	0.9
147.04411	5.7
149.02312	3.6
149.05946	1.3
151.03900	7.7
157.06525	1.0
159.04411	3.0
161.06009	2.1
163.03905	33.1
165.05453	6.5
167.03413	6.8
169.06508	2.4
173.05992	3.1
175.03905	3.0
177.05453	4.1
179.03424	2.8
185.05986	1.0
187.03896	5.2
189.05476	2.3
191.03389	8.7
193.04965	3.0
197.06006	4.0
201.05452	7.1
203.03400	7.0
203.07028	1.7
205.04942	2.6
213.05513	1.0
215.03473	1.8
215.07051	1.2
217.04985	0.8
225.05469	1.8
229.04976	7.3
231.06541	1.1
233.04376	4.3
242.58809	0.9
243.06480	4.2
245.04488	4.5
247.06038	13.9
255.06599	1.7
257.04419	7.1
259.06003	8.2
269.04367	2.0
271.06018	19.9
272.06409	1.2
273.07510	1.1
275.05508	15.5
283.05930	6.1
287.05478	19.8
289.07059	10.4
291.08612	8.1
299.05591	3.3
301.07132	8.3
303.08563	2.4
311.05505	0.9
409.09180	18.9
410.09692	2.0
411.10654	2.4
427.10498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1497
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03934	1.6
55.01862	1.5
65.03923	1.0
67.01852	0.9
67.05491	0.8
68.99787	4.3
70.51642	1.8
79.05493	0.8
81.03419	3.0
85.02895	1.6
89.03902	1.0
95.04975	2.1
97.02926	0.9
97.16306	0.6
99.04442	1.2
103.05481	0.8
105.03397	1.0
107.04966	2.9
109.02856	3.4
111.00795	2.0
111.04417	2.8
115.05470	0.6
115.53026	0.5
117.03396	1.0
119.04963	1.4
121.02856	1.5
123.04434	38.2
127.03915	100.0
128.04312	0.9
131.04912	2.3
135.04411	29.4
137.02357	2.8
139.03900	44.5
141.07004	0.9
143.04855	0.7
147.04431	5.7
149.02338	4.5
149.05983	1.4
151.03894	6.8
159.04401	2.5
161.06009	2.8
163.03906	33.4
165.05470	5.2
167.03415	9.3
169.06502	1.6
173.05997	3.8
175.03906	3.1
177.05449	3.3
179.03427	2.0
183.04405	0.7
185.06062	1.2
185.55647	0.6
187.03860	5.3
189.05472	1.3
191.03394	9.7
193.05017	3.3
197.06035	3.0
201.05443	6.5
203.03375	7.2
203.07053	1.3
205.05014	2.4
207.06554	1.2
213.05531	1.8
215.03413	1.2
215.07088	2.1
217.04953	1.5
219.06514	0.7
225.05524	1.2
229.04979	7.0
231.06528	1.2
233.04507	3.5
241.04945	1.6
243.06487	4.4
245.04543	5.2
247.06015	13.1
251.05496	1.5
253.04945	1.4
255.06514	2.0
257.04468	8.2
259.06052	8.9
269.04449	2.0
271.06030	18.4
273.07605	1.5
275.05484	14.9
279.67535	0.7
283.06006	5.7
287.05496	18.4
289.07025	9.9
291.08612	7.4
297.07620	0.7
299.05496	3.4
301.07025	9.4
302.07700	0.8
303.08679	1.7
311.05710	0.8
409.09201	18.2
411.10687	3.4
421.09113	0.9
427.10294	3.4
435.10715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45998	4.1
55.01864	8.4
55.05511	42.3
57.03426	13.2
57.07083	5.9
64.13526	3.6
65.03944	5.1
67.05502	79.7
69.03400	6.2
69.07069	24.4
71.04987	12.8
79.05493	64.7
81.03416	19.2
81.07056	100.0
83.04980	7.9
83.08118	3.8
83.08604	19.6
85.06546	10.4
91.05485	44.0
93.07037	62.4
95.04972	13.5
95.08606	56.1
97.06511	10.0
97.10171	15.1
98.21539	13.5
99.08131	4.7
105.07030	55.2
107.08609	39.1
109.06509	4.9
109.10160	27.7
111.08069	8.3
117.07021	21.9
119.08583	40.0
121.10143	32.2
123.08090	7.0
123.11752	7.0
125.09617	12.3
129.06999	12.9
131.08569	30.3
133.10112	27.1
135.08008	5.0
135.11681	14.9
135.88264	3.9
141.47656	4.1
142.15419	4.3
143.08551	13.3
145.10129	28.5
147.11703	22.9
149.13228	11.8
151.11134	4.5
157.10159	16.3
159.11703	13.5
161.13235	11.3
163.11090	6.5
165.12732	6.9
169.10127	7.2
171.11644	11.2
173.13254	14.4
175.14868	9.0
181.09999	5.4
183.11676	7.9
185.13272	9.0
187.14764	10.0
189.11261	8.7
193.12292	5.6
197.13303	4.2
199.14801	4.2
215.24445	3.8
223.14929	4.6
227.12799	11.1
261.22186	7.0
267.15823	20.0
289.21686	7.5
301.25360	10.2
335.25632	14.1
359.25735	5.4
363.25833	5.7
435.32562	14.6
453.33517	23.0
509.36285	5.5
527.37335	48.7
528.37787	4.3
545.38336	38.0
559.39410	9.8
577.36841	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
54.24632	4.0
55.01869	8.7
55.05510	33.8
57.03437	6.9
57.07061	4.4
62.97544	4.0
62.97868	4.1
65.03933	4.1
67.05505	100.0
69.07064	22.2
69.24760	3.9
71.04978	7.4
71.59850	5.7
79.05485	60.1
81.07050	90.0
83.04992	9.4
83.08603	12.7
85.06557	9.3
91.05470	71.3
93.07042	70.4
95.04964	15.1
95.08600	54.1
97.06532	4.4
97.10163	8.9
105.07018	59.4
107.04971	4.6
107.08593	59.4
109.06514	6.0
109.10149	60.1
111.08095	7.5
113.05984	6.4
117.07017	17.9
119.08577	24.2
121.10119	27.2
123.07986	5.2
123.11707	17.8
125.09653	9.9
131.08572	24.3
133.10135	92.4
135.08064	4.9
135.11681	24.7
137.13229	4.2
143.08560	9.4
145.10124	13.8
147.11687	5.3
147.31982	3.8
149.13261	10.4
151.11156	50.2
157.10135	9.2
159.11708	13.3
161.09654	15.2
161.13165	6.8
163.14754	4.3
169.12283	10.6
171.11697	3.6
173.13300	7.0
179.10635	8.9
182.97992	3.7
185.13223	4.3
189.11151	7.4
197.11765	5.6
215.12778	24.4
227.12781	6.8
243.21095	7.3
245.05307	3.7
253.14442	20.9
259.20618	4.5
261.22079	22.9
277.21719	4.0
281.13614	4.4
291.19717	3.9
294.10236	3.7
299.14871	17.8
315.23245	4.2
317.24915	5.9
335.25674	11.5
363.25366	8.6
364.56046	4.2
467.31525	8.9
513.35663	5.6
531.36627	12.6
541.35071	11.0
545.38141	5.4
559.36304	10.8
577.37482	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81570	3.8
55.01873	9.0
55.05507	40.1
57.03431	9.8
59.04987	5.8
65.03961	4.9
67.05171	8.5
67.05502	91.1
69.07066	27.2
70.25478	4.5
71.08631	6.2
71.59721	4.8
71.60091	5.8
71.60443	4.4
79.05482	41.4
81.03413	9.2
81.07053	100.0
81.86469	4.2
83.04978	11.4
83.08604	18.4
85.06523	8.8
91.05471	45.9
93.07042	53.4
95.04962	14.4
95.08609	63.2
97.06522	8.6
97.10153	21.6
105.07024	37.1
107.04961	6.6
107.08582	44.0
109.02847	6.8
109.06554	5.5
109.10143	38.6
111.04426	5.9
111.08075	10.8
117.07012	18.8
119.08569	33.8
121.06551	6.8
121.10154	25.5
123.08046	8.8
123.11691	17.6
125.09624	12.2
129.06976	7.9
131.08565	22.8
133.06490	7.5
133.10130	48.1
135.11674	14.7
141.07027	5.5
143.08543	13.3
145.10129	17.6
147.11707	10.0
149.09698	6.0
149.13264	11.7
151.11201	7.8
155.08575	6.7
157.10141	7.1
159.11699	13.2
161.09581	12.9
161.13271	8.7
163.14793	5.7
169.10085	7.9
171.07849	6.2
171.11716	8.3
173.13293	12.6
177.12883	5.3
179.10695	7.0
185.13210	5.0
189.11264	13.8
201.16386	7.2
204.14510	5.4
211.13019	5.8
225.11169	7.0
227.12743	14.4
243.21024	6.2
259.20596	8.5
261.22153	20.3
277.21887	5.6
291.19476	12.2
299.14850	22.1
315.23251	12.6
335.25864	20.2
405.99353	5.1
449.30429	7.6
457.32858	5.4
467.31540	16.8
485.32401	7.0
513.35931	8.4
520.87866	5.2
531.36475	10.1
541.34998	18.7
552.90149	5.0
559.36450	32.0
577.37146	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	576.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64466	2.5
55.01870	3.6
55.05515	4.2
67.05498	7.8
68.99779	7.1
69.03413	13.2
69.07060	7.6
69.75547	2.9
70.06583	5.7
71.04977	11.7
71.58649	5.2
75.51997	3.6
79.05479	8.4
81.03394	5.3
81.07046	10.5
84.04491	3.9
84.08154	3.1
85.02897	11.6
87.00828	3.7
91.05470	9.8
91.65219	3.3
93.07041	7.2
95.04950	4.6
95.08598	9.9
98.77121	3.2
105.07030	10.4
107.04964	15.1
107.08560	4.2
109.02852	7.5
109.06494	5.6
109.10146	10.7
111.00798	3.8
111.04416	11.4
117.07062	3.4
119.08530	5.2
121.06496	8.1
121.10142	5.9
123.04425	46.9
123.11743	3.7
125.05999	8.0
125.09647	3.8
127.03905	27.4
127.11145	5.0
128.06178	4.6
131.04977	4.9
131.08607	4.4
133.06448	3.1
133.10091	3.9
135.04413	30.9
137.05971	34.7
139.03932	17.5
143.08556	9.6
143.10632	4.9
145.06512	4.1
147.04390	10.2
149.05969	11.2
151.03908	11.2
151.07532	5.3
151.11195	8.2
153.01797	3.4
153.05453	24.0
153.12717	3.8
159.11702	5.0
161.05978	9.0
161.09630	13.9
163.03867	29.2
163.07536	4.8
165.05519	4.6
169.10220	5.7
171.08029	11.9
173.05943	4.9
174.06807	9.1
175.07471	5.6
177.05482	13.1
177.09099	7.7
179.03470	3.7
187.07588	17.0
187.11195	7.7
189.05455	6.8
189.09105	36.9
191.10576	3.8
200.04619	3.2
201.05417	7.6
201.09096	3.9
203.03415	7.2
205.12268	16.6
215.07004	4.3
215.10648	7.2
217.52043	3.1
219.06505	4.0
239.14235	3.3
243.06534	12.5
245.04407	16.3
247.05984	12.6
257.04398	8.5
257.15372	34.9
269.04468	4.0
271.06006	9.2
275.16409	100.0
287.05463	17.3
293.17459	8.4
299.05588	3.7
299.16211	6.3
329.06204	4.4
341.17493	3.9
379.07962	3.9
383.18546	8.6
384.00626	3.4
407.07532	8.4
409.09247	6.7
413.24936	6.9
414.25345	19.5
425.08737	4.9
547.50867	3.6
576.30945	37.6
577.31323	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
57.03407	1.0
57.31619	1.0
61.86763	0.8
65.03951	0.8
67.05499	3.6
69.03432	2.8
69.07081	1.9
71.58797	1.0
71.59193	0.9
72.43781	0.7
74.66405	0.8
79.05488	4.0
81.03426	3.3
81.07044	2.1
83.37432	0.8
85.02914	3.8
86.06087	0.9
87.00866	1.1
91.05489	3.7
93.07058	2.1
95.04987	2.6
95.08595	1.9
96.07735	0.8
97.02885	1.4
97.10161	0.8
103.05493	1.1
105.07033	16.5
107.04958	6.7
107.08606	1.3
109.02892	1.7
111.04412	0.9
111.65292	0.8
115.05499	1.5
119.08568	1.0
121.06528	2.9
121.10230	1.0
123.04445	12.6
125.22285	0.8
127.03921	2.9
131.08650	0.9
133.06493	70.4
133.10184	1.3
133.61711	0.9
135.04416	63.2
136.04820	0.9
137.05971	1.1
145.04947	1.2
147.04500	1.8
149.05992	2.0
151.03978	0.9
161.06003	2.0
161.13225	1.5
163.03926	1.5
165.05560	0.9
165.09135	1.2
173.13213	0.9
177.05544	1.5
189.09221	1.5
191.10672	100.0
192.11020	2.7
201.05458	1.4
213.76985	0.8
217.12402	1.1
219.66832	0.8
243.06595	2.1
246.14934	1.9
247.05963	1.2
255.10115	12.1
257.11737	1.6
279.16837	1.0
290.89111	0.9
299.12659	1.6
311.16418	7.8
348.17850	1.2
366.19131	2.0
387.57745	1.1
403.13693	1.3
421.14865	2.8
439.16296	1.3
456.85681	0.9
545.62579	1.0
558.30701	1.7
592.14008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48997	1.2
52.90267	1.4
53.03950	5.3
55.01870	11.7
57.07072	5.9
66.01556	1.6
67.05505	6.3
69.03417	8.3
69.07063	8.5
70.02968	7.3
70.06592	2.7
71.05003	2.0
71.59032	2.6
72.04514	21.9
73.02911	12.2
74.02425	1.4
79.05464	1.5
81.03423	17.8
81.07079	1.8
83.04991	8.0
84.08144	1.5
85.02887	7.3
85.06554	7.5
86.09705	4.5
87.08092	1.5
90.05553	33.3
91.05478	1.5
95.04964	10.5
96.08125	2.7
97.02896	11.3
98.02415	16.3
99.04460	5.5
100.03995	6.7
103.03967	2.4
103.07601	2.0
109.02881	25.9
111.00830	1.9
111.04431	4.0
113.06017	5.8
115.03949	2.2
116.03468	22.3
123.04425	15.4
124.07586	25.4
127.03926	21.3
130.08685	2.2
131.07063	2.9
132.06554	13.1
132.10153	2.0
133.25517	1.2
135.04413	9.5
135.06177	1.3
137.02319	2.7
137.06033	1.7
138.05591	2.2
139.03896	4.9
142.08646	20.8
145.04987	6.1
147.04417	2.9
151.03915	3.0
157.19897	1.4
160.09709	5.7
163.03905	7.7
166.08627	5.8
169.04941	2.5
172.09709	3.7
174.11238	3.9
177.05473	2.9
181.04947	2.8
184.09691	36.6
198.07597	2.7
199.06001	3.0
202.10744	100.0
203.11465	2.2
207.62762	1.4
211.09656	9.5
216.08705	5.8
217.07094	2.9
220.11786	22.8
226.10736	1.5
230.10193	16.5
234.09770	8.3
244.11740	3.7
245.04469	5.7
247.06079	5.5
262.12924	18.4
271.06000	1.5
273.07425	1.5
287.05533	4.9
299.05490	1.6
310.12891	9.5
328.13895	54.3
329.06393	2.6
329.14368	2.2
346.15051	8.0
364.15985	14.4
407.07242	1.8
409.09421	2.3
434.47632	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
53.11218	0.7
55.01864	2.6
55.05502	1.6
57.03423	3.1
61.02918	2.1
65.88879	0.7
67.05504	1.8
68.99785	2.9
69.03433	9.2
69.07070	1.4
70.65807	0.8
71.04980	1.9
73.02908	2.2
79.05472	5.6
81.03419	10.5
81.07052	4.4
83.08597	1.0
85.02907	21.4
87.00829	6.1
91.03961	1.0
91.05473	2.5
93.07002	1.4
95.04948	2.9
95.08624	1.7
97.02904	7.0
97.06543	0.8
99.04456	4.0
102.53976	0.8
103.03903	1.8
103.05457	1.3
105.01852	4.7
105.07018	2.6
107.04965	3.8
109.02864	9.9
109.10126	1.2
117.01838	0.9
117.03374	1.1
119.04921	0.9
121.06481	1.7
123.04437	4.1
127.03907	15.9
129.01802	1.1
131.04904	1.6
133.06502	2.7
133.10063	1.2
135.04416	75.5
135.11574	0.8
137.05949	4.0
145.02870	1.9
145.04985	4.5
145.06554	0.8
147.02867	1.5
147.04376	1.8
149.05971	21.9
149.09708	0.9
149.13205	1.4
157.12433	0.9
159.02887	3.5
159.04361	1.8
161.05975	40.9
173.06012	1.2
177.05527	4.7
182.07503	0.9
189.09155	1.6
191.10670	100.0
201.05403	1.4
203.07056	1.5
207.10179	2.5
215.10683	4.5
217.12234	27.2
227.07155	1.0
231.05009	2.6
233.11638	1.7
241.12196	1.6
243.06413	0.9
257.11682	1.0
259.13342	2.4
269.07910	3.8
271.09680	12.8
275.20209	1.1
283.13129	1.6
287.09521	1.0
295.09595	1.5
313.10724	1.0
325.14343	2.6
327.15872	13.1
351.15878	2.2
369.16922	1.9
373.09317	1.6
379.11661	1.4
381.14423	1.0
391.10168	1.7
393.24670	0.9
403.14020	1.5
413.21823	0.9
429.15460	2.5
448.14865	0.9
519.15021	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	575.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83830	0.6
53.03930	1.7
55.01854	1.4
57.03433	0.9
63.40997	0.6
65.49048	0.6
67.05492	1.6
69.03434	3.5
69.59963	5.1
79.05497	3.9
81.03405	3.6
81.07041	1.3
81.46984	0.6
85.02902	6.6
87.00826	1.5
89.15121	0.6
91.05464	2.1
93.07040	1.2
95.04958	1.9
97.02889	1.9
98.21432	1.4
99.04447	1.4
103.05482	0.7
105.01798	1.1
105.07032	13.0
107.04919	3.3
109.02853	2.8
115.03883	1.0
115.05460	0.7
119.04967	0.9
119.08579	1.6
123.04453	4.1
127.03908	3.7
128.06190	1.1
130.84221	0.7
131.04913	0.8
133.06494	47.7
133.10085	1.2
135.04414	27.4
141.78618	0.8
143.08549	1.0
147.04407	5.9
147.08043	10.6
149.05994	1.5
159.02864	2.0
161.09622	1.8
171.08041	3.6
177.05386	1.0
189.09105	28.7
207.10162	100.0
208.10498	0.9
249.11172	0.7
255.10190	2.5
327.15698	1.7
372.05466	0.7
437.14493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
54.51772	0.7
55.01859	2.9
55.05499	2.9
57.03418	3.8
61.02926	4.1
61.37785	0.8
65.03915	1.1
67.05501	7.8
69.03427	9.4
69.07054	2.4
69.28554	3.9
69.28982	5.3
71.04985	1.8
73.02919	2.1
79.05487	6.7
81.03417	9.9
81.07059	9.2
83.04970	4.2
83.08605	1.9
85.02910	9.8
85.06551	1.2
87.00819	1.2
91.03944	2.6
91.05461	5.8
93.07044	5.9
95.04953	2.5
95.08597	2.5
97.02890	8.5
97.06507	1.2
99.04449	3.9
101.02377	1.6
103.03943	1.1
103.05430	1.4
105.01889	1.5
105.07035	16.0
107.04932	2.7
107.08587	3.8
109.02885	5.9
111.04432	2.0
117.07018	2.0
119.04879	1.3
119.08564	2.7
121.10134	1.5
123.04406	4.4
123.11698	0.8
127.03924	8.6
128.06209	1.3
129.05463	1.2
131.08534	2.4
133.06493	45.0
133.10132	2.4
134.06708	0.8
135.04411	29.0
135.07999	1.1
135.11667	1.3
143.08565	2.2
145.05019	2.3
147.04411	7.0
147.08035	11.5
147.11668	1.9
149.13272	4.3
159.02966	1.9
159.11687	1.9
161.09628	2.8
168.44078	0.9
171.08037	3.2
177.12787	1.7
183.06516	1.2
189.09094	30.1
195.13841	4.7
207.10161	100.0
213.14854	1.0
255.10243	3.1
269.17401	5.7
321.17062	1.1
327.15689	1.4
395.20886	1.4
413.21829	5.8
546.78766	0.9
575.27234	1.1
575.35504	1.1
586.69812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47058	0.8
51.48801	0.7
57.03435	1.8
61.02926	1.1
64.49918	0.7
65.03941	1.9
67.05489	1.2
69.03428	6.8
69.07044	1.0
70.06576	2.3
71.04971	1.1
71.58481	0.8
71.58884	1.5
72.08129	0.8
81.03397	3.8
81.07045	0.9
85.02415	1.0
85.02896	8.2
87.00809	2.7
87.04456	0.9
87.16719	0.9
91.05444	1.6
92.05002	4.7
93.07013	1.0
97.02890	5.3
99.04459	1.7
105.01852	1.8
105.07018	1.3
109.02855	2.7
110.06039	100.0
111.04446	3.6
115.03876	1.1
117.03281	0.8
119.04950	0.9
119.08594	1.0
123.04406	1.5
124.01448	0.7
127.03910	3.7
133.05028	1.0
139.03833	0.8
144.08118	1.0
145.05000	1.7
147.04404	1.9
159.02943	1.4
159.04227	1.0
175.03893	2.0
177.05449	1.3
195.11288	91.7
207.06520	3.0
287.05518	1.0
327.07132	0.9
354.94110	0.8
358.11276	2.4
391.82077	0.8
413.15860	1.3
413.25012	4.2
518.74512	1.0
539.28839	1.5
549.93927	1.2
558.41815	1.0
575.20807	22.7
575.30096	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	575.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05391	0.3
53.03938	0.7
55.01872	0.6
57.03427	1.1
59.28641	0.3
61.02929	0.4
69.03429	5.8
69.29058	2.9
69.29464	0.6
73.02898	0.5
75.23402	0.3
81.03427	3.0
81.07050	0.3
83.04965	1.0
85.02901	5.5
87.00838	1.8
87.04460	1.1
95.08630	0.5
97.02897	5.9
98.20808	0.9
99.04443	1.4
105.01861	2.2
105.07009	1.7
107.04942	0.6
109.02882	2.4
111.04460	0.5
115.03905	1.9
117.05753	3.2
119.08614	0.3
123.04431	0.8
125.01545	0.4
125.30423	0.3
127.03920	3.9
129.05499	0.4
131.06035	0.9
132.06819	3.0
133.04990	0.6
133.05370	0.4
133.06483	6.9
145.04980	2.2
150.01031	1.2
151.03871	0.5
152.02626	1.7
153.02145	11.4
159.02878	1.2
160.06306	1.4
166.02928	0.4
167.03716	2.7
167.06996	0.4
177.02158	0.9
177.05396	0.7
178.00542	2.1
189.03961	0.4
195.03204	100.0
196.03540	0.4
207.10249	0.8
213.03966	0.6
231.04988	0.7
241.06998	0.6
327.07199	0.7
345.08264	0.5
534.14709	0.4
575.28827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05944	3.4
55.05497	8.0
57.03433	6.7
57.07076	41.4
61.60037	2.8
67.05491	14.5
67.53168	2.7
69.07059	8.7
71.08631	33.4
71.59364	4.9
75.04519	4.1
79.05479	5.7
81.07072	23.5
83.08620	12.9
85.10179	19.1
91.05463	3.5
93.07061	4.4
95.08602	32.7
97.10155	8.8
105.07064	3.5
109.10165	13.7
123.11723	4.2
127.03844	3.6
137.13278	4.6
175.42757	3.3
239.23727	41.4
247.08629	6.4
257.24643	6.7
274.73044	3.0
313.27383	100.0
331.28604	9.6
435.21423	7.0
443.67477	3.7
491.43637	3.9
539.28467	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	574.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.0
57.03432	6.6
57.07074	44.6
57.35762	2.2
63.93784	2.1
67.05490	13.0
68.05825	2.8
69.07074	10.4
71.08632	29.4
72.51389	1.8
75.04488	2.4
76.53625	1.8
77.51505	1.9
78.54656	1.9
79.05537	2.4
81.07050	23.6
83.08605	13.4
85.10176	18.9
89.92316	1.9
91.05481	3.2
93.07060	6.2
95.08593	28.1
95.09149	2.2
97.10156	7.2
105.07037	4.5
107.08606	2.1
109.10159	12.9
123.11698	7.0
127.67443	2.2
149.75946	2.4
190.99985	2.9
239.23694	29.6
257.24832	3.7
313.27344	100.0
331.28439	9.0
404.95511	2.1
539.29211	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	573.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01880	10.0
55.05516	27.0
57.03427	4.4
57.07058	3.5
61.19164	1.9
61.48061	2.0
63.81985	1.7
65.03927	2.6
67.05172	3.4
67.05504	43.8
69.03422	6.5
69.07070	34.8
69.40575	13.6
69.41000	5.4
71.04989	3.9
77.72128	2.0
79.05495	47.8
81.03416	6.3
81.07056	36.3
83.04978	6.6
83.08624	11.5
85.02896	2.7
91.05479	29.0
93.06479	3.0
93.07047	47.1
93.21300	1.9
95.04971	15.0
95.08612	41.0
97.02900	7.2
97.06525	8.5
97.10168	7.4
99.04505	3.0
103.05470	2.3
105.07029	28.4
107.04945	15.8
107.08596	33.4
109.06544	5.3
109.10165	8.0
111.04436	3.6
115.05460	3.6
117.07030	17.4
119.08574	18.7
121.06506	10.6
121.10162	17.1
121.47034	1.9
123.08100	3.0
125.05974	3.4
125.09676	5.8
129.06999	4.8
130.07770	2.8
131.08591	10.2
133.06454	2.8
133.10144	11.5
135.08054	6.0
135.11702	37.2
141.06961	2.5
143.08594	6.9
145.06464	2.9
145.10107	28.2
147.08057	5.5
147.11710	4.3
149.09633	3.6
157.10168	3.3
159.11736	5.1
161.09590	4.3
161.13315	2.7
163.11171	50.1
165.09137	2.9
165.37523	1.9
169.10167	2.3
171.11676	4.8
173.09627	2.3
173.13179	2.4
175.11171	2.2
177.12709	2.1
181.12259	8.7
189.11200	3.3
189.12767	2.8
223.13312	7.9
227.12772	72.3
249.14819	2.3
257.19061	2.8
273.18491	20.8
275.20102	8.6
283.15222	3.5
291.19550	70.7
313.27487	3.1
347.22336	2.8
423.23492	2.2
555.34247	2.1
573.34216	100.0
574.34619	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	573.3032
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03942	1.1
55.05501	4.0
57.03432	4.4
57.07073	29.2
62.61842	0.9
67.05508	7.9
69.07064	7.2
70.05824	4.6
71.05002	1.2
71.08627	18.1
76.58882	0.7
79.05494	2.4
81.03432	4.1
81.07059	10.8
83.04955	1.0
83.08614	5.4
85.02873	1.3
85.10174	11.0
89.05950	0.9
89.22075	0.8
91.05461	1.8
91.25599	0.8
93.07022	2.4
95.04985	2.2
95.08607	11.6
96.08970	0.9
97.10153	3.2
98.98459	31.1
105.06991	1.5
107.04938	0.9
107.08579	2.0
109.02866	3.2
109.10136	6.3
112.42332	0.8
116.99508	1.5
119.08571	1.4
121.10134	1.0
123.11697	1.3
131.08511	1.1
135.11639	1.2
137.13313	1.5
155.01038	26.7
173.02066	1.9
218.72998	0.8
223.90956	0.7
227.12561	1.0
239.23657	3.3
261.03629	3.0
291.19684	1.6
293.21091	3.5
313.27356	100.0
314.27658	3.4
317.06155	3.2
335.07339	2.4
383.27106	1.0
393.23819	4.1
401.28833	3.3
452.49838	0.9
573.36884	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	573.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57532	0.9
53.03938	2.8
55.01866	2.2
55.05504	1.1
56.96554	3.2
57.03427	1.4
64.47620	0.9
67.05492	2.2
69.03445	5.0
71.05008	1.1
71.73499	0.9
73.02895	1.0
78.95878	1.0
79.05478	3.2
81.03407	5.1
81.07043	3.2
83.08623	1.0
85.02906	8.9
87.00813	3.6
91.05480	2.7
93.07044	2.1
95.04959	3.1
95.08584	3.5
97.02910	4.6
97.06508	1.1
98.20690	2.4
98.97567	2.9
99.04469	1.4
105.01856	2.8
105.07042	3.4
107.04955	100.0
107.08561	2.0
109.02859	5.1
109.10140	2.5
116.98614	3.6
119.08589	2.3
121.06444	1.9
123.04391	1.2
127.03923	6.4
131.04929	1.7
131.08537	2.0
133.06531	6.4
134.99687	2.5
135.04414	4.4
135.08026	1.2
137.59758	0.9
143.00107	1.2
145.04906	1.8
145.10120	1.3
147.04417	2.2
149.05994	1.7
149.09708	1.1
158.99637	1.5
159.02878	1.9
159.08051	2.2
161.01219	2.7
161.05907	2.6
163.07590	1.2
165.05495	4.6
177.00725	1.8
177.05472	1.8
177.09100	4.1
185.01282	1.0
187.07559	2.0
189.00711	1.1
189.09232	1.4
192.98117	3.2
201.09100	3.7
205.08601	22.9
207.01714	1.0
210.99152	10.9
219.01839	2.3
219.10175	31.3
225.49132	1.2
229.00166	3.5
229.71213	1.7
237.02847	4.2
242.89983	1.0
270.81335	1.0
271.09671	1.4
303.13376	1.1
307.13303	3.5
325.14334	54.7
337.02194	2.5
375.05759	1.7
410.38937	1.0
435.12970	1.3
469.06247	1.7
487.07373	6.1
573.18970	1.8
573.30719	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	573.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.01871	2.2
55.05504	0.7
56.66524	0.4
57.03431	1.7
61.02917	1.5
67.05506	0.7
68.99785	1.1
69.03082	0.6
69.03432	9.6
69.07044	0.9
69.74771	3.2
70.06618	0.4
71.04987	1.1
73.02920	2.1
79.05489	2.0
81.03417	9.8
81.07050	1.6
85.02907	19.2
85.03430	0.9
86.03237	0.6
87.00836	5.6
87.04455	0.6
91.03967	0.5
91.05482	1.7
93.07053	1.5
95.04945	2.5
95.08617	0.8
97.02887	6.0
99.04452	3.4
103.03931	0.8
105.01868	4.2
105.04533	0.6
105.07039	1.8
107.04956	100.0
108.05315	1.1
109.02884	9.2
115.03831	0.5
115.05441	0.8
117.01861	1.0
117.07029	0.5
118.97929	0.4
119.04932	0.6
120.08215	0.4
121.06510	1.5
122.06030	1.7
123.04449	1.3
127.03921	12.7
127.04810	1.0
129.01807	1.0
131.04935	2.1
131.08611	0.7
131.73912	0.5
133.06473	4.3
133.10078	0.5
135.04451	2.5
135.08125	0.4
140.07068	2.9
143.08537	0.6
145.04942	3.6
145.06100	0.5
145.10130	0.7
147.02898	0.8
147.04422	2.4
147.08081	0.6
148.07582	3.6
149.05991	10.1
153.50140	0.4
159.02905	4.6
159.08043	1.2
161.05983	1.8
163.03969	0.9
163.07550	0.7
165.05487	4.1
173.05995	1.4
175.07617	0.6
177.05516	1.5
177.09113	3.0
179.14673	0.6
187.07578	1.2
189.03859	0.4
189.09114	1.4
191.07047	0.9
201.09114	2.5
203.07048	1.1
205.08609	10.0
213.04030	0.9
215.10664	0.5
219.10168	29.4
231.05008	1.5
231.10219	1.0
269.08185	0.7
271.09579	0.5
287.13861	4.4
295.09875	0.5
305.15054	0.5
307.13318	2.6
325.14337	64.0
326.14734	1.8
337.14120	0.5
349.14404	0.6
367.15411	1.2
391.15186	0.7
435.12662	0.6
529.23016	0.6
573.21692	0.9
573.30402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34275	0.4
57.04850	0.3
62.99829	0.3
67.05502	0.4
68.15161	0.3
69.33142	3.4
76.78738	0.3
80.48056	0.3
82.18420	0.3
85.24915	0.3
95.02433	0.3
105.07005	0.4
152.30806	0.3
203.05241	1.1
203.07069	0.8
253.12807	0.4
259.07990	1.3
335.21848	0.4
409.25864	1.8
457.20389	2.9
471.21783	2.0
571.30878	100.0
572.31268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61613	6.4
53.03936	8.7
54.20712	7.4
54.54041	7.7
55.01878	10.9
55.05512	62.3
58.45051	6.7
59.04017	6.8
59.80318	7.0
67.05503	85.1
67.83369	6.8
69.03405	15.9
69.06730	7.6
69.07050	45.9
71.58831	7.0
71.59258	12.1
79.05479	52.5
81.07050	75.8
83.04947	12.6
83.08624	40.4
91.05483	53.8
93.07047	53.9
95.04865	6.7
95.08612	68.7
97.06518	16.7
97.10188	42.1
105.04525	6.7
105.07029	66.0
107.08604	39.1
109.10135	39.2
114.41245	7.5
117.07029	36.5
119.08595	55.7
121.10077	17.4
123.11676	17.2
125.09686	19.9
128.06245	8.8
129.06998	23.4
131.08562	41.9
133.10153	36.0
135.11668	23.5
141.06891	7.5
143.08560	29.1
145.10101	39.3
146.86539	8.4
147.11685	23.3
155.02432	7.1
155.08528	16.3
157.10132	24.0
159.11725	43.5
161.13275	9.6
169.10133	10.0
171.11555	15.3
173.13272	34.8
177.82722	7.5
183.11716	12.3
185.13252	17.3
187.14873	13.8
189.11205	14.5
197.13213	11.9
201.16393	10.3
209.10539	7.3
209.13289	9.7
213.16328	9.2
230.99243	7.7
285.00305	7.4
293.21097	16.1
293.56769	7.0
309.22086	7.9
385.30966	100.0
399.33044	10.6
459.34250	9.2
517.40210	9.8
535.41675	14.2
549.43994	8.4
553.42578	55.7
565.91626	9.4
571.43970	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	571.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
63.21249	0.3
67.05502	0.4
70.40739	0.3
79.05505	0.5
81.07043	0.7
83.08618	0.4
91.05490	0.5
93.07020	0.6
95.08607	0.4
105.07055	0.4
107.08613	0.3
109.06541	0.3
119.08606	0.5
131.08643	0.4
147.04359	0.4
149.06064	0.3
185.04160	0.3
189.08931	0.4
203.05295	0.7
203.07101	0.5
229.51738	0.4
259.07813	1.1
271.13977	0.4
290.12671	0.3
295.14285	0.6
323.12762	2.1
335.21140	0.3
409.25635	1.1
457.20480	2.6
471.22070	2.7
571.30859	100.0
572.31079	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	570.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03944	7.0
55.01871	8.3
55.05512	4.5
57.03433	7.3
59.05008	0.6
59.99112	8.1
61.02927	5.3
67.05517	0.6
68.99799	2.8
69.03428	44.2
69.56437	4.6
69.96770	0.6
71.01347	1.2
71.04990	7.4
72.08154	5.2
73.02915	7.2
73.06555	19.5
79.05494	1.6
81.03416	43.5
83.01353	1.7
85.02903	95.8
85.07655	0.7
86.06062	6.1
87.00828	34.1
87.04431	1.4
90.61840	0.5
91.03963	2.6
95.04967	1.6
97.02890	47.3
99.04452	21.1
101.02380	1.7
102.00114	2.0
102.03761	1.8
102.99674	1.4
103.03928	1.4
105.01863	39.0
106.06553	79.5
108.14970	0.6
109.02877	37.7
115.03932	1.6
115.08685	4.2
116.07098	1.3
117.01839	4.3
118.04157	0.7
127.03912	100.0
128.04317	0.6
129.01851	5.0
132.04788	44.9
134.06000	6.6
139.03975	0.7
144.01178	1.1
145.04982	57.8
147.02899	5.3
148.95810	0.6
157.13362	5.5
159.02890	27.4
159.26701	0.7
171.02850	1.5
174.05923	0.7
175.05347	3.8
177.03947	2.5
187.06024	1.4
189.03922	2.2
191.11771	3.0
193.08572	1.5
205.07109	0.6
208.05396	4.4
213.03947	6.4
217.10083	11.7
231.04999	49.2
249.06055	18.0
250.10127	3.8
253.98439	0.6
280.11127	4.4
308.04208	1.5
320.13336	1.4
322.11728	0.7
375.91641	0.6
380.10162	8.2
465.15356	15.3
524.99670	0.7
543.89111	0.6
557.55945	0.6
570.20947	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	571.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01860	2.4
55.05505	1.1
57.03429	1.7
61.02918	1.9
65.03931	1.2
67.05500	2.0
68.99786	1.0
69.03429	16.8
69.07059	1.5
71.58949	0.9
73.02911	1.3
79.05495	6.6
81.03428	7.6
81.07053	4.9
83.04980	1.8
85.02903	16.1
87.00826	4.7
87.04469	1.8
91.05481	5.9
93.07021	4.2
94.15240	1.0
95.04980	4.1
95.08603	2.5
97.02892	10.7
97.06517	0.8
99.04471	3.6
99.08083	1.2
103.05451	1.1
105.01855	4.1
105.07047	2.5
106.06549	1.7
107.04961	5.4
107.06888	1.0
107.08583	2.6
109.02885	3.4
109.06503	1.5
109.10153	2.0
111.08121	0.8
115.03916	1.8
115.05457	1.0
117.07024	1.5
119.04929	1.4
119.08572	1.2
121.06543	4.3
121.10212	1.6
123.04434	2.5
123.08070	2.5
125.09623	2.0
127.03918	13.3
128.04245	1.3
129.06998	1.8
131.04907	1.5
131.08594	1.7
133.06502	1.8
133.10127	1.2
135.04416	100.0
135.08025	2.0
135.11728	1.0
136.04808	1.6
137.06010	2.5
141.07004	1.2
141.09103	2.1
145.04979	4.7
145.06372	0.7
145.10095	1.1
147.04390	6.1
149.05997	3.3
153.05415	1.5
153.09120	1.7
157.06522	0.9
159.02905	1.7
159.08061	1.9
159.11778	1.0
161.05980	3.2
163.03963	3.2
165.05478	3.6
165.09052	0.9
168.93515	0.8
173.06006	2.3
175.04010	4.8
175.07558	2.0
177.05453	12.3
179.03416	0.8
185.06009	1.7
185.09703	0.9
187.07587	7.8
189.09134	0.9
189.11057	0.8
191.10674	100.0
195.11574	0.9
197.05914	0.8
201.05507	3.8
201.08978	1.0
203.07019	3.4
213.05461	2.8
215.07048	1.4
215.10687	3.0
219.06557	3.9
231.04619	1.1
231.06740	3.9
233.11702	3.9
243.06468	5.4
249.06085	1.1
257.11893	1.0
275.12741	4.5
287.12674	4.0
299.13000	1.2
305.13763	1.7
323.15002	44.7
353.15924	1.4
383.09641	2.9
409.25623	4.1
421.14694	1.2
439.16040	6.6
485.19870	1.7
553.18384	1.0
553.59766	0.9
571.19971	5.9
571.30579	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	569.2933
Annotation	14-hydro-15-hydroxyajugapitin
Peak:m/z	Relative Intensity
55.05505	0.7
67.05493	2.0
70.66111	2.2
81.07036	1.2
93.07034	1.0
95.04980	0.7
109.10132	1.0
111.44400	0.6
116.33266	0.6
185.04143	0.6
196.25058	0.7
203.05307	0.9
221.99261	0.6
259.07922	1.7
333.19958	0.9
353.49503	0.7
389.22983	1.6
407.23535	1.6
455.18665	2.5
469.20425	7.2
551.28308	32.1
569.29242	100.0
570.29553	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.0
69.03416	0.8
69.07047	0.7
69.47925	1.8
69.48348	2.6
71.04988	0.7
79.05504	1.4
81.03419	1.3
81.07048	1.6
83.04978	2.1
91.05481	1.2
93.07034	1.9
95.08603	1.0
97.02888	0.6
105.07015	1.1
107.08601	1.1
109.02888	0.6
109.06571	0.7
109.10174	1.0
111.67133	0.5
119.08530	0.8
121.10124	0.7
123.04472	1.0
123.11685	0.8
125.09648	0.8
127.03898	0.8
131.08586	0.6
145.10135	0.5
151.07765	0.5
157.10107	0.6
159.11646	0.7
172.95227	1.0
198.47411	0.5
203.05374	0.8
203.78494	0.5
224.98424	0.5
259.07962	1.6
269.12152	0.7
303.23068	0.6
321.24112	1.0
351.20047	1.1
407.24039	1.5
435.12384	0.6
541.12744	4.3
569.29266	100.0
570.29315	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	569.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62696	0.5
61.25125	0.4
66.02081	0.4
67.05506	0.9
70.19170	0.4
70.84383	0.9
70.84719	0.8
72.07499	0.4
81.07032	0.5
84.08139	0.6
91.05480	0.5
92.78041	0.5
93.07022	0.5
106.64980	0.4
113.59868	0.4
117.80989	0.4
141.82718	0.4
145.09840	0.4
207.82126	0.4
269.81317	0.6
306.91226	0.5
332.61444	0.4
333.20245	0.7
407.18604	0.9
407.23651	0.7
457.20624	2.5
471.21957	2.1
527.57220	0.5
569.29285	100.0
570.29401	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	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09271	0.3
67.05513	0.4
69.03407	0.3
70.34848	1.4
98.17494	0.3
203.05350	0.9
253.13066	0.4
259.07880	0.6
277.01715	0.3
331.10056	0.4
333.19257	0.3
407.23999	1.2
457.20435	2.6
471.22021	2.2
487.21509	0.8
569.29309	100.0
570.29431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.2
55.05503	8.5
56.82178	4.3
57.07064	6.4
66.24104	5.1
67.05495	18.9
69.07057	12.3
70.96767	12.9
71.08622	5.6
79.05489	24.9
81.07067	34.5
81.92660	4.8
83.08604	7.7
87.50799	5.6
91.05473	35.8
93.07042	49.6
95.04984	37.6
95.08618	25.9
105.07027	85.2
107.08604	36.5
109.06497	9.3
109.10155	19.3
117.07029	29.1
119.07790	8.4
119.08579	100.0
121.10130	30.6
123.08043	15.3
128.06203	8.4
129.06975	14.4
130.07788	11.6
131.08578	43.0
132.09378	10.7
133.10118	57.9
134.10922	6.3
135.11678	15.5
137.09645	8.3
138.10461	6.3
141.06969	11.1
142.07805	11.5
143.08556	44.2
144.09335	13.9
145.10126	97.6
146.10828	5.7
147.11691	25.6
149.09622	5.4
155.08582	14.6
156.09352	8.7
157.10121	41.2
158.10880	8.0
159.11708	43.3
161.09627	5.9
161.13225	5.9
162.65616	5.4
167.08578	9.1
168.09325	8.3
169.10133	25.5
170.10883	8.8
171.11699	33.2
173.13216	24.2
175.14841	15.2
181.10072	15.3
182.10898	10.0
183.11659	27.6
185.13261	22.4
186.14079	5.3
187.14883	13.2
189.12730	6.6
191.14333	9.9
193.10129	10.4
194.10849	8.7
195.11694	15.0
197.13237	25.0
199.14815	7.6
205.16122	5.0
207.11662	7.1
208.12500	7.2
209.13234	21.7
211.14751	16.9
213.16376	8.3
221.13332	5.0
222.14117	5.9
223.14813	7.8
225.16394	10.2
234.13797	4.5
235.14919	7.3
237.16267	7.7
239.17880	5.8
249.16513	5.4
253.19424	5.6
263.17902	5.2
284.29337	5.1
302.46008	4.8
337.25409	6.7
338.25995	28.9
376.34448	4.5
430.32346	7.1
476.36511	11.8
518.10083	6.4
568.42456	19.3
568.56262	10.5
568.92072	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02316	0.5
53.74544	0.5
56.05021	1.3
56.96552	0.5
57.05828	0.6
57.11203	0.4
60.04516	2.3
67.05495	0.8
69.03413	1.1
69.07063	8.7
70.06586	8.1
71.37965	0.8
71.38313	0.4
75.05592	2.1
81.03419	0.9
82.05315	0.8
83.06105	4.1
84.04502	0.8
84.08161	0.7
85.02894	1.3
86.06055	1.3
86.09700	100.0
87.04482	2.2
88.92472	0.4
91.05482	0.5
93.04532	3.4
95.02961	0.5
95.04932	0.5
95.06086	4.2
97.02861	0.6
97.08996	0.5
99.05547	0.5
102.05563	0.7
104.07107	5.6
107.04910	0.6
110.07159	65.8
112.03959	10.9
123.04458	0.5
130.05014	0.6
130.06514	1.9
132.04454	0.7
134.01241	0.5
136.07570	0.6
137.05981	0.8
139.03229	0.5
139.04996	0.8
141.06601	1.5
143.11780	8.1
154.08479	0.5
156.07675	69.5
157.07645	2.0
157.09750	1.3
158.06024	1.3
163.04007	0.6
166.06210	1.1
169.06078	4.9
175.08667	2.5
177.05579	0.5
178.05029	0.6
185.03703	0.7
185.07088	0.6
185.09274	1.0
187.07199	0.8
223.15463	0.6
233.11769	0.6
237.02586	0.5
241.08617	1.4
243.10205	1.3
248.00858	0.4
251.15057	2.3
254.14952	2.6
269.16083	16.9
272.16046	7.8
300.15549	20.9
358.43347	0.5
366.14502	1.8
382.24469	0.7
387.17303	0.5
413.23816	2.8
439.27008	1.0
448.08652	0.5
550.29645	1.8
568.30914	26.3
569.31012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01869	8.1
55.05500	12.5
56.96571	5.4
57.03432	14.1
61.02918	6.0
67.05495	7.2
69.03076	6.0
69.03432	85.6
69.07098	4.9
71.04300	8.7
71.04626	4.5
71.05000	7.6
73.02901	10.1
73.15112	3.5
79.05482	18.1
81.03426	31.2
81.07067	11.1
83.01330	3.8
83.04977	9.3
83.06081	8.1
85.02424	7.1
85.02909	83.2
86.06047	6.0
87.00832	35.5
87.04464	14.7
91.05481	25.8
93.07045	78.3
95.04945	10.1
95.08626	7.8
97.02903	88.0
97.06543	7.5
99.04455	19.6
105.01871	61.4
105.07027	17.2
107.08597	100.0
107.99450	4.8
109.02892	43.5
109.06510	4.6
109.10142	9.2
111.04478	7.7
111.05539	13.5
111.09196	7.9
112.09556	5.5
115.03960	26.9
117.01910	4.2
119.08580	5.2
121.06494	4.9
121.10155	7.2
127.03917	73.4
129.01872	6.1
130.05009	5.6
131.08516	6.3
133.04951	8.4
135.08031	6.7
135.11694	50.3
137.05962	9.2
139.03839	5.9
139.08633	4.9
140.09421	12.0
141.10187	4.2
145.04958	36.4
159.02881	15.4
159.08112	4.5
167.07056	4.1
177.05484	8.6
177.12726	4.5
189.03944	6.2
205.04904	4.6
213.04045	10.1
215.05525	5.1
223.06088	6.8
231.04990	17.0
241.06981	9.0
249.06061	8.4
273.06036	4.5
301.19107	15.3
302.19553	24.4
309.06052	5.0
319.20145	18.8
320.20505	40.7
327.07071	13.0
345.08115	19.4
550.23743	4.0
568.25885	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.9
69.03416	0.4
69.07086	0.6
70.17713	1.4
78.65594	0.4
79.05488	0.9
81.03392	0.9
81.07056	1.4
85.02892	0.7
91.05466	1.1
93.07044	0.8
95.04984	0.4
95.08594	0.5
96.99163	0.4
97.02901	0.4
97.06490	0.4
98.39110	0.4
105.07030	1.0
107.04950	0.7
107.08567	0.5
111.58422	0.4
119.08601	0.4
120.54901	0.3
121.10104	0.5
125.39011	0.3
127.03894	0.4
133.06464	1.8
133.10132	0.5
134.06790	0.8
135.11719	0.5
137.05957	0.6
143.08496	0.4
145.10187	0.5
153.58986	0.3
161.09669	0.4
165.09102	0.4
167.06981	0.8
185.04210	0.5
197.38509	0.3
203.05298	0.7
259.07993	1.2
284.17313	1.0
331.18839	0.7
405.22559	2.1
431.18808	1.9
434.08133	0.5
476.80695	0.4
504.35800	0.4
526.53229	0.4
539.28534	0.7
567.27747	100.0
568.28076	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	567.2778
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05497	1.7
57.03412	0.6
63.92439	0.6
65.57027	0.6
67.05510	5.8
69.03402	0.6
69.07056	1.1
71.58965	1.0
79.05453	2.0
81.03423	3.1
81.07063	3.1
83.01044	0.7
83.04971	0.8
83.08582	1.8
91.05441	2.0
93.07040	3.2
95.08581	1.9
96.32499	0.6
97.02863	1.3
97.10143	0.8
100.89761	0.5
101.15400	0.5
105.07034	0.8
107.04924	0.9
107.08556	1.6
109.02882	1.1
109.10113	2.4
111.04380	0.6
119.08584	1.0
121.10111	0.9
123.04404	2.1
147.11632	0.7
185.04141	1.6
201.03676	0.6
203.05220	2.0
229.14041	0.8
251.12498	0.9
259.07858	1.4
283.15121	0.8
297.11115	0.7
307.14981	1.0
331.10068	4.0
331.18011	1.1
339.17758	1.0
355.17285	0.6
373.14633	0.8
387.16269	1.1
387.21185	1.5
403.17688	0.6
405.21689	2.0
455.18640	1.7
469.20428	7.2
509.49335	0.6
539.27869	0.7
549.26678	32.9
550.26685	1.4
567.27478	100.0
568.27588	2.9
588.63300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
67.05511	1.7
71.59032	0.4
79.05470	0.6
81.03400	0.8
81.07038	1.0
83.04967	0.4
83.10130	0.3
91.05454	0.7
92.32167	0.3
93.07043	0.7
95.04936	0.4
95.08578	0.5
105.07010	0.5
107.08607	0.4
109.10169	0.8
111.43031	0.3
117.06972	0.5
119.08555	0.5
154.70671	0.3
185.04166	0.7
202.15236	0.3
203.05202	1.0
215.62360	0.4
259.07922	1.7
278.21890	0.3
283.15088	1.4
292.62796	0.4
300.57840	0.3
308.30933	0.3
313.16617	0.3
331.09863	1.3
339.17923	0.4
387.16177	0.6
405.22266	1.3
469.20645	0.5
567.27576	100.0
568.28198	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	567.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94931	0.6
58.31178	0.6
69.03427	1.2
70.72986	1.8
81.03388	0.6
85.02947	0.7
95.04937	0.7
95.08640	0.6
97.02854	1.1
105.07053	0.8
109.02808	0.7
119.01913	1.4
119.69421	0.6
127.00012	0.8
127.03761	1.2
133.03648	0.7
134.69037	0.6
145.03519	1.9
149.02115	1.3
155.03134	1.5
161.02968	2.4
167.03188	1.2
185.02946	1.6
186.06552	3.9
187.04552	1.0
187.07367	1.0
189.03142	1.0
199.07533	0.7
203.04022	1.5
221.05061	2.3
245.05164	1.5
269.35910	0.7
271.04004	0.8
277.80194	0.7
281.06427	0.7
287.06232	2.4
295.53397	0.8
305.07095	1.2
317.08472	2.7
334.09052	1.0
341.08249	1.8
349.12378	1.2
359.09491	6.3
385.07422	3.4
391.13779	1.5
403.08475	5.6
435.12338	0.9
463.15915	0.9
481.16794	5.9
505.16748	1.2
523.17883	82.0
524.18207	2.3
562.82141	0.7
567.16852	100.0
568.17273	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	567.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05490	4.1
57.07052	0.9
65.03930	1.2
67.05505	11.2
68.19837	1.0
69.03408	2.5
69.07068	8.0
70.19334	2.0
70.19731	1.7
73.44603	1.0
79.05045	0.9
79.05471	4.2
81.03412	5.4
81.07045	6.0
83.04974	1.5
83.08614	1.0
85.02921	1.2
89.01878	0.9
91.05457	3.5
93.07038	4.5
95.04958	2.4
95.08589	2.4
97.10157	1.1
105.03345	1.6
105.07011	1.5
107.04923	1.6
107.08563	2.3
107.49802	1.0
109.02846	1.5
109.10178	5.1
111.08047	1.0
117.06979	1.2
117.59598	0.8
119.04938	1.8
119.08567	1.8
121.10106	1.5
123.04429	46.2
128.40219	1.0
131.08516	1.7
133.10114	1.2
135.04405	1.2
137.09669	1.1
139.03860	2.2
147.04424	7.4
147.05450	1.6
149.05977	1.7
151.03925	6.4
153.05452	2.0
161.02245	0.9
161.05917	2.3
163.03926	4.5
165.05457	3.3
173.11734	1.5
175.03912	3.1
177.05435	4.3
185.04341	1.0
187.03868	2.2
189.05447	3.4
191.06987	1.3
203.07014	1.4
213.09103	1.2
241.12224	2.1
259.13400	1.5
285.07520	2.6
287.12738	4.5
329.14017	1.3
331.09988	4.3
331.17978	1.1
352.90170	1.0
369.24246	1.5
387.15756	1.0
397.23526	4.0
409.23288	1.0
415.24786	8.9
421.16342	2.3
427.18628	1.1
427.24710	2.5
439.17361	2.7
451.17407	3.3
455.18292	2.1
469.20364	8.2
531.27374	2.2
549.26886	36.7
550.86066	1.0
567.27521	100.0
568.28058	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	567.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61197	3.6
56.96537	6.3
62.60546	4.3
71.57265	8.1
73.69651	3.9
85.20296	3.4
90.83508	4.1
98.97595	7.0
102.10512	4.0
116.98624	14.4
134.99643	19.5
151.78094	3.8
153.00679	5.1
177.01022	5.8
192.98779	5.0
194.98454	4.0
219.01973	8.1
230.15712	4.4
232.96674	8.9
233.96814	4.9
234.96593	5.1
234.99916	12.0
250.97758	16.0
252.97612	7.9
256.96533	7.6
258.99951	18.5
260.00027	5.1
260.99963	6.5
261.03036	19.5
262.03140	4.3
274.97690	47.2
275.97891	8.6
276.97577	36.0
277.00967	41.1
278.01212	7.6
279.00818	11.9
282.99973	43.9
284.00015	8.3
284.99802	12.7
292.98666	19.9
293.99042	5.4
294.98596	6.3
298.97726	25.6
299.97882	8.6
300.02280	4.9
300.97562	18.8
301.01013	100.0
301.04282	3.5
302.01129	18.0
303.00867	34.2
304.01324	4.7
316.95566	4.1
316.98807	66.0
317.99002	21.9
318.98547	56.9
319.01999	8.5
334.99832	8.1
358.96603	6.6
401.01520	6.6
403.00903	13.6
404.01050	8.1
417.98828	7.2
418.98956	15.2
425.01373	10.5
441.99695	6.1
442.98093	14.1
443.02209	33.5
445.02277	19.6
451.83582	4.5
458.99652	17.2
460.00043	8.4
460.99887	65.0
484.01501	7.8
500.98343	6.8
542.99884	18.9
549.01270	17.0
567.00867	39.9
585.00067	41.8
586.00128	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	566.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	34.6
57.03429	23.8
61.02917	10.0
67.05498	75.9
69.03430	14.4
69.07062	21.1
69.48687	26.4
69.49107	39.6
71.05014	11.2
71.08624	24.0
79.05489	57.7
81.03417	31.7
81.07053	100.0
83.04973	13.8
83.08616	23.3
85.02901	22.9
91.05486	53.1
93.07040	87.4
95.04977	23.4
95.08607	27.7
97.02872	13.4
97.06509	18.6
99.04427	9.9
99.08086	29.2
103.03944	15.0
105.07021	42.3
107.04977	11.1
107.08591	43.3
109.02885	26.1
109.06487	10.3
109.10162	24.5
111.08115	8.9
117.07004	28.9
119.08530	17.7
121.06479	12.0
121.10152	23.8
127.03910	28.4
129.07037	9.6
131.08577	17.3
133.10107	18.6
135.11699	13.3
137.09598	8.8
145.10132	13.4
147.11696	19.3
149.13248	36.0
151.11150	30.7
159.11667	24.4
161.13263	21.2
163.11243	11.5
171.11684	7.0
173.11670	6.9
177.12746	32.7
179.14273	17.8
195.13737	34.9
213.14828	17.4
241.19653	8.3
259.20370	10.4
261.14822	10.5
269.17493	94.0
277.21643	47.1
285.14523	7.9
303.16037	19.5
321.16870	15.7
339.17944	43.0
351.25232	36.3
357.18814	9.7
421.25876	10.8
433.00699	7.7
542.04767	8.1
567.30634	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	566.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.7
57.03430	11.0
61.02920	6.8
67.05499	37.5
69.03418	6.0
69.07071	16.0
70.12403	16.5
71.05000	5.5
71.08626	18.5
71.55221	3.1
79.05491	25.5
81.03410	7.4
81.07054	60.1
83.04980	9.7
83.08618	14.1
85.02911	4.3
85.06548	4.5
85.58672	3.2
91.05473	19.6
93.07039	38.6
95.04968	8.6
95.08592	21.4
97.02880	5.0
97.06539	8.6
97.10190	4.8
99.04485	3.3
99.08091	20.5
105.07020	16.1
107.08587	16.9
109.10148	6.8
111.08120	5.9
117.06994	6.2
119.08591	8.5
121.10149	12.1
121.45261	2.8
125.09623	4.6
131.08591	8.3
133.10139	8.8
135.11697	13.0
145.10210	4.6
147.11713	4.7
149.13335	16.3
151.11177	11.4
154.50533	3.2
159.11723	20.5
161.13216	6.5
163.11150	8.0
171.11665	4.9
173.11723	5.3
177.12753	25.7
179.14311	10.8
184.70857	3.9
195.13814	7.1
212.13412	3.2
229.14235	4.1
241.19411	4.0
259.20709	7.3
269.17462	100.0
269.20166	6.1
276.03497	3.4
277.21600	14.9
279.93460	4.0
351.25369	42.6
369.26767	4.2
567.30945	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	566.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01861	2.0
55.05508	1.5
60.31207	1.1
67.05491	3.8
69.03416	4.4
69.07059	2.5
70.07880	6.0
71.04974	1.0
77.78680	1.0
79.05490	8.0
81.03413	1.7
81.07063	5.5
85.02914	5.1
87.04528	0.9
91.04969	1.1
91.05473	6.8
93.07048	9.6
95.04987	2.7
95.08594	3.3
97.02888	2.8
97.06512	1.2
99.04494	1.6
100.11213	1.1
103.05450	2.0
105.07029	38.0
107.04953	41.5
107.08596	12.3
109.02888	1.4
115.05466	1.6
117.07021	3.6
118.78698	1.0
118.79652	1.1
119.04996	1.4
119.08596	6.8
121.06503	7.4
121.10168	1.6
127.03922	3.0
129.06995	2.9
130.07851	1.6
131.08540	6.7
133.06496	84.4
133.10127	2.2
135.08040	1.9
135.11748	1.1
137.05981	2.0
137.09596	3.0
143.08563	3.8
145.06517	1.8
145.10141	14.7
147.08057	12.3
147.11697	1.9
149.09607	2.8
151.11160	2.5
157.06458	1.7
157.28900	1.0
159.08104	2.2
161.09627	3.6
161.13269	3.3
163.07532	1.6
163.11133	2.7
167.07083	1.8
167.08475	1.2
171.08063	2.3
171.11627	3.0
173.09573	2.6
185.09578	2.4
189.12717	6.2
197.09604	1.7
199.11221	1.4
209.09546	1.5
211.11148	1.7
223.11238	3.3
237.12712	2.6
262.03247	1.2
265.15881	21.6
283.16925	100.0
284.17355	1.3
293.14371	1.1
301.17966	2.6
307.16547	1.4
356.68393	1.1
411.85144	1.2
516.98920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58209	2.9
53.03947	3.1
55.01858	2.9
55.05511	14.9
57.07066	9.6
60.77096	2.4
67.05508	30.0
67.32676	2.7
69.03425	6.8
69.07074	18.9
70.22320	9.6
78.31788	2.3
79.05495	27.8
81.07056	33.6
83.04983	6.6
83.08616	9.5
85.06510	3.8
89.06045	7.3
91.05480	37.2
93.07038	48.3
95.04975	17.7
95.08599	34.7
97.06543	5.8
103.05461	4.8
104.81720	2.5
105.07030	100.0
106.07356	4.1
107.04986	2.9
107.08597	36.5
109.06520	5.9
109.10164	22.5
111.11787	2.7
115.05481	4.7
117.07008	17.7
119.08577	61.1
121.06482	2.9
121.10152	53.9
121.11028	3.3
123.08096	9.8
123.11713	9.9
128.06219	10.6
129.07025	11.5
130.07747	4.2
131.08583	25.5
133.10146	39.5
135.08051	10.1
135.11688	15.8
137.09607	6.2
139.11166	3.9
141.07030	8.2
142.07771	13.8
143.08556	22.4
144.09277	3.9
145.10117	38.8
147.08058	9.0
147.11742	16.6
149.09654	6.5
151.07564	3.7
151.11180	3.0
151.98891	2.8
154.07829	3.8
155.08566	14.9
156.09392	11.3
157.10139	42.9
158.10927	7.4
159.08054	3.5
159.11731	20.8
161.09666	4.3
161.13266	7.4
163.11169	5.1
165.09084	14.5
167.08559	10.7
167.10661	17.1
168.09373	5.7
169.10165	23.7
170.10907	8.7
171.11697	28.7
173.13280	24.8
175.11172	3.8
175.14827	9.5
179.08601	11.7
180.09377	3.2
181.10168	12.0
182.10933	7.6
183.11705	21.0
184.12579	4.9
185.13283	11.6
187.14905	5.6
189.12698	4.0
191.08582	2.9
191.14322	4.4
193.10152	15.3
193.12074	4.1
194.10918	5.4
195.11711	17.5
196.12427	4.4
197.13220	16.8
199.14853	14.9
201.16409	3.8
203.14299	6.1
205.10065	3.2
206.10912	7.9
207.11856	13.6
207.13637	5.0
208.12537	6.0
209.13222	19.1
210.14099	5.0
211.14871	12.3
213.16478	5.4
215.08714	3.3
215.18054	3.9
219.11739	4.9
220.12482	4.7
221.13293	10.8
221.15451	21.7
222.14032	4.8
223.14864	8.9
225.16478	5.1
229.10123	4.1
231.11749	3.9
232.12392	3.7
233.13280	7.7
233.15424	7.3
234.14145	3.7
235.14871	10.4
237.16414	7.5
239.18001	4.9
243.11531	3.0
244.12418	6.0
245.13358	8.0
246.14284	6.1
247.14841	8.9
248.15620	3.1
249.16232	5.2
251.18050	3.7
257.13181	3.9
259.14795	5.2
260.15533	2.9
261.16211	5.7
263.18015	4.3
265.19440	5.6
271.14850	5.4
272.15536	3.5
273.16367	7.1
275.17981	5.1
277.19565	5.1
281.19263	3.7
283.20410	3.3
287.17926	4.1
289.19623	5.7
297.16391	3.6
301.19513	4.0
313.27509	5.4
329.22360	3.4
343.24286	3.6
355.82382	2.8
357.25897	5.0
437.28687	2.7
444.14847	3.0
473.33905	6.8
509.34079	3.7
547.39471	15.6
547.55701	2.9
565.40424	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
55.05523	14.9
57.03471	2.8
57.07071	8.2
59.04998	3.9
67.05502	24.9
69.07077	16.3
71.04919	5.8
71.05284	6.4
79.05508	26.3
81.07064	32.2
83.04985	6.4
83.08613	13.2
85.06561	3.3
85.25660	2.5
86.18890	2.7
91.05475	37.7
93.07047	47.3
95.04971	14.1
95.08612	28.7
97.06499	4.5
103.05473	4.2
104.06271	2.8
105.07024	65.2
105.07679	5.0
107.08590	36.1
109.06549	10.6
109.10142	24.9
110.84203	2.8
117.07046	11.3
119.08579	59.5
121.06490	2.9
121.10140	47.1
123.04441	2.8
123.08104	9.1
123.11726	9.1
125.09623	3.6
128.06253	9.7
129.07008	9.9
130.07788	4.3
131.08559	29.0
133.10121	40.4
135.08066	7.5
135.11693	18.1
141.06998	7.4
142.07805	12.2
143.08559	32.2
144.09378	4.8
145.10117	41.4
147.08078	6.8
147.11687	15.7
149.09653	7.5
149.13263	3.6
151.07576	4.8
153.06975	4.6
154.07790	3.2
155.08569	14.3
156.09328	14.9
157.10136	39.7
158.10899	6.7
159.08099	6.1
159.11670	17.9
161.09700	4.7
161.13300	4.2
163.11235	3.2
165.07106	4.8
165.09155	12.5
167.08595	8.8
167.10681	23.2
168.09427	5.3
169.10124	25.1
170.11044	4.9
171.11688	20.7
173.13298	18.0
175.14844	9.3
179.08574	8.7
180.09305	5.3
181.10205	11.9
182.10938	6.1
183.11737	21.0
184.12508	4.5
185.13289	15.8
187.14890	8.6
191.08601	3.0
192.09303	4.4
193.10208	12.6
194.10947	6.8
195.11678	15.3
197.13356	14.3
199.14847	13.2
201.16388	3.0
203.08612	3.1
203.14328	6.9
205.10187	6.1
206.10977	6.7
207.11758	14.7
207.13544	2.8
208.12469	4.5
209.13277	19.2
211.14867	11.9
213.02466	2.7
213.16455	4.4
219.11743	3.5
220.12550	5.6
221.13324	16.8
221.15488	18.6
222.14001	3.1
223.14886	8.6
225.16449	4.4
227.18201	2.9
230.10802	3.8
231.11774	7.5
233.13246	7.4
233.15451	8.5
235.14987	7.2
237.16525	6.4
239.17966	6.6
243.11751	4.8
244.12497	3.1
245.13429	9.5
246.14215	5.1
247.14926	6.5
249.16461	4.6
251.18018	6.1
253.19572	3.8
258.13980	5.1
259.14850	5.7
260.15662	4.7
261.16507	6.7
263.18085	5.5
265.19580	7.9
273.16302	4.3
275.17972	6.5
277.19638	6.5
285.16504	4.4
289.19376	4.3
291.21149	2.9
297.16330	3.1
309.16745	3.5
343.24222	3.2
357.25934	3.7
371.98419	4.1
473.34360	8.5
491.33606	3.8
547.39325	15.3
565.40503	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	565.4037
Annotation	28380-31-6
Peak:m/z	Relative Intensity
55.05506	10.7
57.07069	3.7
66.90771	1.8
67.05503	16.5
69.03426	5.5
69.07072	8.0
70.33161	8.7
72.27493	2.2
72.58302	1.9
74.61005	1.7
79.05493	13.9
80.55399	1.8
81.07053	25.7
83.04979	3.6
83.08611	2.0
84.90392	2.0
85.06519	4.2
91.05476	22.0
93.07033	30.1
95.04966	9.4
95.08602	21.8
97.06525	4.4
101.95452	2.2
105.07025	50.0
107.08598	25.6
109.06503	4.3
109.10155	18.4
115.05465	4.5
117.07036	11.6
119.08582	50.3
121.10144	38.4
123.08076	7.0
123.11725	6.1
128.06206	6.5
129.07002	8.9
130.07762	3.4
131.08566	18.5
133.06490	2.2
133.10135	30.0
135.08025	3.1
135.11707	10.4
137.09596	6.1
141.06992	7.4
142.07788	12.4
143.08559	25.2
144.09360	5.5
145.10117	33.0
147.08067	5.0
147.11684	11.9
149.09595	4.0
151.07593	4.0
154.07727	3.3
155.08540	11.8
156.09305	9.8
157.10132	32.9
158.10957	5.4
159.08109	3.4
159.11696	18.8
161.13220	4.2
163.11212	3.8
165.06990	6.3
165.09151	8.1
166.07811	4.2
167.08568	7.3
167.10625	14.3
168.09267	3.4
169.10155	16.7
170.10936	5.0
171.11678	19.3
173.13257	19.5
175.14842	7.1
179.08543	9.7
180.09317	5.1
181.10162	10.1
181.12070	2.3
182.10954	7.4
183.11650	15.2
185.13275	17.3
187.14854	5.9
189.12810	3.3
192.09309	2.7
193.10112	9.6
194.10925	6.6
195.11662	12.3
196.12430	5.2
197.13237	13.6
199.14857	9.0
203.14331	5.2
204.09395	2.3
205.10078	3.9
205.66725	2.1
206.10922	6.3
207.11609	11.9
208.12508	3.6
209.13234	19.5
211.14854	12.8
213.16400	2.8
215.14398	3.1
218.10834	2.3
219.11746	3.6
220.12459	3.8
221.13249	12.2
221.15411	19.7
223.14815	10.9
225.16377	5.1
229.15884	2.4
231.11673	4.4
232.12508	3.7
233.13306	5.1
233.15372	8.5
234.14050	2.1
235.14854	11.5
237.16405	7.7
239.17952	5.9
244.12550	2.6
245.13339	6.3
246.13985	2.7
247.14856	6.8
248.15472	3.0
249.16441	5.9
251.17958	7.4
253.19525	3.8
257.19028	2.7
259.14853	3.9
260.15753	2.9
261.16467	6.1
263.17941	6.0
265.19604	7.6
269.19012	2.9
271.14838	4.3
273.16437	4.6
275.18024	4.6
277.19666	4.4
287.17828	3.6
289.19458	4.7
291.21100	2.2
295.20691	2.8
301.19220	2.4
317.22626	2.9
329.22723	3.3
331.24179	4.0
343.24292	3.0
347.23703	3.8
357.25854	5.2
365.24707	2.5
473.34113	8.1
509.33911	2.5
529.38452	2.8
547.39545	15.0
565.40393	100.0
566.40643	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	565.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84734	0.8
54.61715	0.9
54.70097	0.8
55.01872	1.2
55.05499	3.4
58.80679	0.9
59.27306	0.9
59.29128	0.8
62.64454	0.9
65.03934	4.1
67.05505	59.8
69.07056	2.6
69.93630	5.8
79.05501	9.1
80.20940	0.8
81.03415	2.0
81.07062	11.2
83.04984	2.4
83.08617	1.4
85.02885	1.0
91.05484	7.7
93.07049	5.2
95.04962	3.5
95.08588	5.0
105.03400	1.4
105.07021	6.5
107.04964	1.8
107.08586	5.4
109.02877	1.0
109.10159	11.4
117.06994	2.6
119.04967	5.6
119.08563	3.4
121.06490	1.1
121.10146	3.2
123.04427	100.0
127.03931	1.7
131.08569	2.8
133.10147	6.1
135.04399	0.9
135.08098	1.2
137.05981	2.7
137.09650	1.1
139.03902	5.0
141.07008	1.7
143.08575	2.0
145.06429	1.0
145.10143	1.1
147.04411	23.7
147.11690	2.2
149.06012	2.5
151.03900	19.9
153.05460	3.9
157.10170	1.9
159.11641	1.8
161.05980	3.2
161.13208	1.8
163.03885	7.8
163.07585	1.4
163.11118	1.1
165.05476	14.3
167.07094	1.7
169.10101	1.3
173.05983	2.1
175.03935	3.6
175.07645	1.2
177.05473	5.9
179.07036	47.3
181.05086	1.3
185.13187	1.2
187.03857	1.5
187.07552	1.1
189.05486	6.9
191.07054	8.2
193.04918	2.2
199.07491	1.4
201.05450	1.6
203.07031	3.1
207.06557	1.2
209.08060	2.7
213.05507	1.1
213.09158	2.1
215.07001	1.6
217.08559	1.9
217.11916	1.0
218.58952	1.1
219.06505	0.9
227.07112	1.3
231.10217	1.4
239.17955	2.9
241.12241	3.0
247.13326	2.8
253.14539	1.0
257.11749	1.6
257.18991	2.5
259.13342	5.0
259.20566	1.3
271.13239	1.1
275.12680	3.4
285.07608	3.4
287.12762	7.7
293.13800	1.3
299.12775	2.0
301.14444	1.5
303.08600	2.8
305.13849	4.0
313.10751	5.8
317.13864	1.9
329.13757	1.2
331.11707	11.6
367.22574	1.8
395.22025	4.2
409.16553	2.6
413.23251	11.1
421.16599	4.7
425.23196	3.2
427.17636	2.4
433.15363	1.0
439.17410	4.5
451.17477	2.7
469.18936	1.2
469.39502	1.1
493.21936	2.6
511.23331	2.0
529.25604	3.3
547.26880	13.2
565.19098	1.5
565.27942	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	565.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03930	1.6
55.01861	2.1
55.05505	5.1
56.85377	0.7
61.02944	0.8
65.03929	3.3
65.38445	0.7
67.05505	51.6
68.99796	1.2
69.03414	1.6
69.07049	3.2
71.59048	1.8
77.03944	1.2
77.31090	0.7
79.05491	6.2
81.03426	1.5
81.07060	10.2
83.04976	3.4
83.08607	1.6
91.05473	8.2
93.07054	6.2
95.04960	3.8
95.08596	7.3
97.10135	1.4
100.73089	0.8
102.51823	0.8
103.11404	0.9
105.07044	5.3
107.04961	1.3
107.08586	5.2
109.02843	1.4
109.06511	2.3
109.10142	8.9
117.07017	1.6
119.04960	4.3
119.08585	4.4
121.02842	0.8
121.10151	2.3
123.04427	100.0
127.03872	1.3
129.06987	1.7
131.08531	3.3
133.06483	1.2
133.10110	3.8
135.04372	2.5
135.08066	1.3
135.11711	0.8
135.20471	1.0
137.05992	2.5
137.09529	1.0
138.71089	0.7
139.03909	7.4
145.06538	1.1
145.10121	2.1
147.04413	18.2
147.08118	0.9
147.11604	0.9
149.05997	1.6
151.03900	21.8
153.05447	7.4
155.08501	1.1
157.06461	1.0
159.11693	1.7
161.05975	3.6
163.03905	9.2
163.07611	1.4
164.56940	0.9
165.05472	11.6
165.06784	0.9
167.07019	2.4
169.06430	0.9
173.06009	1.8
173.09587	1.0
173.13341	1.0
175.03967	4.3
175.07559	2.0
177.05499	6.5
179.07036	44.8
181.05026	1.3
185.05911	1.2
187.03900	2.0
187.07593	1.7
189.05478	8.7
189.09248	1.1
191.07039	6.7
193.04961	1.8
199.07588	1.1
200.71907	0.9
201.05449	3.0
203.07048	4.1
205.08478	1.8
209.08014	1.5
213.05324	1.2
213.09067	1.5
215.07008	3.1
217.08620	2.5
227.07068	1.2
229.08612	1.6
231.10126	1.3
239.17845	2.1
241.12245	1.8
243.10199	1.3
247.13376	4.2
255.09975	1.1
257.11719	2.1
257.19067	1.1
259.13223	3.9
269.11746	1.3
271.13260	1.8
273.07556	0.9
275.12628	4.0
275.20013	3.0
277.14371	1.3
283.05914	1.0
285.07571	10.7
287.12744	6.4
293.13611	1.2
299.12787	2.0
303.08615	3.0
305.13779	3.8
309.07547	0.9
313.10706	6.9
317.13812	2.3
323.09109	3.0
329.13785	1.1
331.11740	8.6
351.75790	0.9
355.11789	1.1
365.13757	1.1
367.22925	4.1
395.22159	8.0
407.22125	2.6
409.16284	3.1
413.23215	22.6
421.16245	2.9
425.23093	2.9
427.17471	3.3
437.15558	0.9
439.17593	3.5
451.17477	2.2
469.18399	1.0
511.23431	2.0
529.26324	3.9
531.04065	1.0
547.19141	1.4
547.26910	12.5
565.27911	15.3
571.13007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09869	1.1
53.03941	3.1
55.01861	3.5
55.72773	1.4
57.03437	2.8
57.81242	1.1
67.20124	1.1
69.03425	13.4
69.33752	13.8
70.02302	1.2
70.06583	3.6
71.06904	1.5
73.02889	1.8
77.80121	1.1
79.05496	4.0
81.03409	11.5
81.07054	1.3
85.02905	25.0
87.00830	10.4
89.29337	1.2
91.05492	11.3
95.04893	1.4
97.02895	9.7
98.21516	2.3
99.04460	6.5
102.28907	1.1
103.03924	1.4
105.01847	6.6
105.07030	5.5
107.04955	17.0
109.02876	9.9
115.05454	7.7
117.07021	22.0
119.03396	1.8
119.04935	14.0
120.05741	1.8
121.06521	2.9
121.10197	1.4
122.59313	1.3
123.08089	1.4
127.03925	16.0
129.01857	1.5
131.08495	3.0
133.06496	11.7
135.08029	2.1
137.05942	1.8
145.04976	6.4
145.06474	39.3
145.07620	2.2
147.04388	23.0
149.05974	1.9
149.09608	5.1
151.03819	1.5
159.02850	2.2
161.05975	1.7
163.03880	11.2
164.04530	2.2
165.05402	1.8
173.05975	28.5
175.07498	1.8
179.07027	81.9
180.07426	1.5
181.04961	10.6
189.03923	1.9
189.05516	2.2
190.06271	11.0
191.06995	4.2
197.08093	54.5
198.08453	2.2
205.08597	100.0
220.49271	1.3
223.09647	82.4
231.04979	2.4
267.10123	2.2
281.15384	2.0
284.10425	6.4
285.11108	2.5
286.95105	1.4
297.11234	2.3
299.09375	2.6
299.12762	51.4
299.15857	2.3
300.13278	1.5
316.13089	4.0
317.06699	9.0
317.09995	2.7
317.13312	10.6
341.14087	1.3
547.17841	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	565.1553
Annotation	Apiin
Peak:m/z	Relative Intensity
51.74894	0.2
53.03940	0.2
55.01869	0.2
57.03427	0.4
67.01871	0.3
68.99792	0.5
69.03425	1.2
70.06596	0.3
71.59377	0.3
72.08160	0.4
75.91396	0.1
81.03399	0.6
81.07069	0.2
83.45800	0.1
85.02917	1.5
87.00838	0.3
87.04476	0.4
91.05479	0.4
93.07062	0.2
95.04986	0.2
95.23274	0.1
97.02884	0.6
107.04960	0.4
107.08565	0.2
109.02887	0.3
115.03152	0.1
115.03892	0.8
119.04941	1.4
119.08535	0.2
120.08104	0.4
121.02878	0.6
127.03918	0.5
133.04922	0.5
133.06517	0.2
136.07509	0.2
137.05957	0.6
145.02870	0.5
151.03905	0.2
153.01830	3.6
161.05991	0.2
163.03928	0.6
165.05524	0.2
167.06978	0.2
171.02896	0.8
177.05508	0.2
207.06882	0.2
225.05438	0.3
229.05026	0.2
243.06479	0.3
271.06009	100.0
272.06372	1.1
274.04855	0.2
302.04178	0.5
317.06573	4.6
318.06982	0.2
353.74466	0.2
359.14844	0.2
403.10089	0.3
433.11307	8.0
465.74500	0.2
479.20282	0.2
521.22046	0.8
565.21436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
55.01878	0.9
57.03426	1.0
65.73513	0.7
69.03428	1.6
70.06564	0.8
70.98577	0.6
71.58234	0.6
71.58689	1.1
71.70816	0.7
71.88338	0.6
73.02901	1.7
79.01857	1.0
81.03410	1.6
81.07016	0.9
81.84355	0.7
85.02906	4.1
87.04443	0.7
88.07629	1.0
91.05466	0.9
93.07034	0.7
95.04964	1.3
97.02879	2.5
105.03368	0.8
107.04945	2.7
109.02844	1.5
119.04952	1.8
120.08110	0.9
121.02869	11.5
123.04420	1.6
127.03908	1.3
131.04913	0.8
133.06445	1.0
135.04329	0.9
145.02869	1.6
147.04428	1.1
157.06500	0.7
161.05972	0.7
163.03893	2.3
165.01830	1.1
177.01807	1.1
177.05560	1.1
179.03410	0.7
181.04919	0.7
183.02879	0.8
199.03920	0.7
205.04955	0.9
207.06447	1.0
213.05482	1.5
217.04971	2.5
227.06989	1.0
228.07887	0.8
233.04504	0.8
242.05719	0.8
243.06534	1.7
250.10567	0.8
255.06596	3.1
256.07297	4.5
259.06012	1.6
261.03906	2.7
267.06418	1.1
268.07135	0.9
270.05615	1.0
271.06009	5.5
283.06015	49.1
284.06781	32.4
284.10001	1.3
285.07495	2.5
295.06027	13.8
297.07550	12.4
307.05801	1.2
308.06796	2.8
309.07614	5.1
311.05435	2.2
313.07040	100.0
314.07156	0.7
317.06488	6.3
323.05597	1.9
323.09094	11.6
325.07092	5.4
327.08505	1.3
337.07043	20.0
343.08212	5.1
349.07242	1.6
351.08682	4.7
355.07993	2.0
355.11975	0.9
367.08151	9.5
379.08099	6.6
397.09180	18.3
415.10208	22.3
433.11298	72.1
434.11703	1.0
445.11075	3.7
565.15369	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1184
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03946	2.1
55.01877	1.3
55.05494	0.6
57.03427	1.1
61.02915	0.8
65.03924	0.3
67.05496	0.3
68.99782	1.0
69.03078	0.4
69.03427	5.5
70.06590	4.2
70.88649	0.7
71.04990	0.6
71.06912	0.3
72.08140	0.6
73.02920	1.2
79.05482	0.6
81.03417	6.9
81.07042	0.5
83.01350	0.3
83.55307	0.2
85.02905	10.0
87.00832	4.1
91.05482	0.6
92.02614	0.8
93.03395	0.7
93.07045	0.3
95.04945	0.6
95.08601	0.4
97.02881	3.5
99.04453	2.3
100.11248	0.3
105.01860	2.9
105.07032	1.1
107.04951	2.2
107.08602	0.3
109.02869	5.4
117.01830	1.1
119.04920	0.3
121.02867	0.7
121.06500	0.3
123.04470	0.5
126.03112	0.3
127.02972	0.4
127.03912	7.6
129.01834	0.8
130.06491	0.4
131.04900	0.3
131.08609	0.3
133.02808	0.3
133.06509	1.3
137.02339	0.4
137.05963	0.7
139.03891	0.4
145.04948	2.0
145.05945	0.3
147.02841	0.4
147.08029	0.3
149.09573	0.8
151.03876	0.8
153.01823	7.7
157.06416	0.4
157.07602	1.1
158.06029	0.4
158.07948	0.7
159.02893	3.2
161.05951	0.3
163.03949	0.3
165.01834	0.7
165.59102	0.2
167.07042	0.7
167.70490	0.2
173.05954	0.5
175.08644	1.1
177.05461	0.8
181.04991	0.4
187.07498	0.3
191.07053	0.3
193.88492	0.3
201.05473	0.4
203.03403	0.4
210.14928	0.3
215.07077	0.3
217.04970	0.6
218.05743	0.6
228.04253	1.3
229.04945	2.1
231.02853	0.3
231.05019	1.0
245.04446	1.4
246.05225	1.9
257.04413	1.6
260.03137	0.6
261.07657	0.3
271.06049	0.4
273.03961	1.7
274.04672	3.6
284.03140	0.5
285.03931	2.5
298.15384	0.3
299.12915	0.5
299.16165	0.7
300.13437	0.3
302.04196	12.4
317.06549	100.0
318.06860	2.1
339.12634	0.3
350.15021	0.5
351.15344	0.5
359.07675	0.3
383.07434	0.3
389.10007	0.3
466.21399	0.5
565.29004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.01860	19.8
55.05508	29.2
56.50737	6.4
57.03431	14.0
57.07080	8.3
57.45194	7.1
65.03930	10.7
67.05505	100.0
69.03436	16.1
69.07054	22.6
71.04995	17.1
71.41621	15.3
79.05490	41.0
81.03394	43.5
81.07060	73.0
83.04948	9.3
83.08630	16.8
85.02896	9.8
85.06526	12.7
91.05464	61.4
93.07046	42.2
95.04967	20.2
95.08610	38.9
97.02891	12.1
105.07028	56.7
107.04962	16.2
107.08559	33.9
109.02876	9.8
109.06552	8.1
109.10156	62.2
119.08562	23.4
121.06503	8.1
121.10078	15.2
123.04412	33.5
123.08067	8.0
123.11723	11.2
123.36105	6.7
125.09631	10.6
127.03886	37.1
131.08554	16.7
133.10130	73.6
135.08087	7.7
135.11665	11.1
137.09546	9.4
145.10114	18.0
147.11691	12.1
151.11118	39.3
159.11761	8.2
163.11127	11.2
169.12250	11.8
177.12762	9.1
179.06992	6.3
195.13744	7.2
213.63284	7.1
227.15085	7.5
253.14352	28.6
271.15509	11.4
275.20041	94.9
285.16864	9.4
293.21060	60.3
323.14813	7.5
349.23911	17.8
367.24768	65.1
382.59488	8.0
402.26166	8.9
419.24213	8.6
437.25269	24.2
447.27408	20.8
565.28955	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.6
55.05512	13.3
57.03428	5.4
61.02914	4.2
66.59789	1.6
67.05504	37.4
69.03423	3.1
69.07069	9.3
69.07377	1.9
69.68401	3.0
69.68805	9.8
71.04982	3.9
71.08627	1.7
79.05490	19.4
81.03408	6.2
81.07055	28.3
83.04544	1.7
83.04977	8.1
83.08598	7.9
85.02889	5.9
85.06519	3.1
89.35989	1.6
91.05474	25.1
91.50390	1.8
93.07033	19.6
94.79650	1.7
95.04974	12.4
95.08602	14.2
95.27235	1.6
97.02886	4.8
97.06522	3.3
97.10167	3.6
99.08038	1.7
105.07041	23.0
107.04958	6.5
107.08586	20.4
109.06499	3.5
109.10141	26.1
111.04416	2.7
111.08078	3.1
113.28841	1.8
117.06997	5.3
119.08572	8.1
121.10142	6.0
123.08052	5.8
123.11686	4.0
125.09630	4.0
125.42876	1.6
131.08568	5.7
133.06497	2.1
133.10133	26.5
135.08023	3.1
135.11681	3.6
137.09589	3.7
145.10121	4.6
147.11598	3.0
149.09616	3.0
151.11171	12.2
159.11681	2.7
163.11130	4.8
169.12134	2.3
173.11742	2.1
189.12744	1.7
193.12248	3.7
195.13777	2.4
241.98322	1.7
247.20500	2.8
253.14301	11.7
253.42418	1.9
257.18967	2.4
257.44284	1.7
267.15952	3.9
271.15466	3.3
275.20013	19.0
285.16879	11.1
293.21005	7.2
331.36374	2.3
349.23721	8.8
367.24771	100.0
368.24982	3.4
385.25919	3.1
447.27386	3.2
546.30450	2.7
564.31757	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.7
61.02919	1.6
62.36874	1.1
63.79673	1.1
63.79984	1.1
67.05507	10.8
69.03403	2.5
69.07069	7.6
69.34241	2.4
69.34657	9.8
71.04980	1.3
71.08637	9.9
76.54062	1.0
79.05494	6.8
81.03412	7.4
81.07072	8.7
83.04941	1.5
83.08613	3.4
85.02908	2.1
90.26218	1.1
91.05479	6.3
93.07051	5.2
95.04970	4.9
95.08595	5.5
97.02859	1.9
97.06522	1.5
97.10169	2.4
99.08093	5.3
105.07001	5.1
107.04951	3.3
107.08603	5.4
109.02896	3.6
109.06535	2.6
109.10169	4.8
112.64402	1.0
117.07030	2.4
119.08582	2.9
121.06473	4.9
121.10171	3.0
125.09652	1.9
127.03905	7.2
129.07097	1.3
131.08507	1.8
133.10095	3.1
135.11688	1.1
137.09605	1.8
147.11615	1.2
149.13292	1.6
151.07552	1.3
151.11209	2.7
165.12814	1.8
173.13454	1.2
175.11076	1.0
177.12886	1.5
189.11179	1.4
193.12222	2.7
235.13559	1.2
246.94878	1.0
267.15881	2.5
275.20111	6.9
285.17111	5.5
293.21112	100.0
294.21637	2.1
349.23535	1.5
367.24777	24.5
424.51657	1.1
437.25369	3.6
455.27161	1.3
468.77319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	17.3
55.05513	39.8
55.73077	8.7
57.03431	31.4
62.04478	7.9
62.42705	8.6
62.49166	8.7
67.05502	90.5
67.98999	10.6
69.03419	26.6
69.07072	37.0
69.38253	97.9
79.05482	61.4
81.03413	33.3
81.07055	100.0
83.04982	19.2
83.08627	31.2
85.02898	14.4
85.06551	12.0
91.05489	56.4
93.07043	65.9
95.04990	22.2
95.08620	39.7
97.02885	25.3
97.06541	30.7
97.10146	27.0
98.20782	22.3
105.07041	63.8
107.04970	24.4
107.08592	91.4
109.06530	19.6
109.10154	20.3
111.04445	11.9
111.08133	13.7
117.06995	16.0
119.08611	34.8
121.10156	25.4
123.04379	11.8
123.11714	10.9
125.09623	21.6
127.03946	19.7
129.07089	9.8
131.08582	31.9
133.06468	9.3
133.10107	50.5
135.11667	20.0
143.08525	12.4
145.10155	29.3
147.04404	13.4
147.11674	29.4
149.09637	26.8
149.13274	18.2
157.10190	13.9
159.11697	25.4
164.93655	9.2
173.13213	13.2
177.12750	12.7
181.04921	11.7
189.11295	25.7
201.34886	10.2
227.12781	34.2
229.19579	8.9
255.15927	73.0
257.19031	26.3
269.17596	46.1
275.19983	87.4
315.14188	11.3
318.16989	10.5
349.23734	97.1
367.24750	27.5
419.24252	12.5
564.35156	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81338	4.8
55.01858	7.5
55.05504	19.4
57.03448	6.7
64.84052	4.1
67.05507	20.2
68.89109	4.5
69.03418	5.4
69.07066	13.8
71.08627	12.1
79.05501	15.6
81.03409	17.5
81.07049	26.7
83.04984	8.1
83.08602	10.3
91.05484	15.8
93.07048	15.8
95.04964	13.0
95.08593	11.7
97.10172	7.0
98.20803	9.7
99.08101	6.5
105.07030	10.0
107.04955	7.1
107.08619	10.4
109.10154	12.8
117.06976	8.2
119.08556	5.1
121.06483	5.5
131.08672	5.5
133.10138	19.4
151.11162	8.3
163.11182	4.8
223.38269	4.7
227.12900	5.8
229.69609	4.7
275.19879	11.3
285.16989	18.0
293.21094	83.5
318.41208	5.2
352.19412	5.2
367.24759	100.0
565.29431	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	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.8
55.05506	16.7
57.03426	19.9
60.14814	4.7
61.02915	6.0
64.93864	4.2
67.05503	51.0
69.03397	3.8
69.07074	25.6
69.38292	43.8
69.73332	3.5
73.31918	3.9
74.70413	4.2
79.05495	33.8
81.03405	12.0
81.07066	58.1
83.04955	9.8
83.08610	13.2
86.21203	4.2
91.05486	25.3
91.05942	4.4
93.07047	49.8
95.04958	11.6
95.08619	29.3
96.54797	5.3
97.02841	4.1
97.06493	13.6
97.10184	6.7
98.21455	8.7
102.89330	4.0
105.07041	25.6
107.04911	4.3
107.08595	29.4
109.06500	6.1
109.10191	4.8
117.06979	12.3
119.08567	14.7
121.10155	14.6
123.08094	4.4
125.09676	5.0
128.66548	4.3
131.08546	14.2
133.10136	21.0
135.11694	20.9
143.08627	6.0
145.10081	12.8
147.11700	10.4
149.09641	7.7
149.13213	11.5
159.11670	20.3
161.13292	5.6
163.11215	9.3
173.13245	8.3
177.12762	24.7
179.14337	5.8
195.13783	6.0
243.29791	4.8
255.15912	42.6
257.18933	9.6
269.17471	100.0
275.20053	28.2
344.90659	5.1
349.23749	57.4
367.24695	8.8
487.08325	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01048	5.7
53.03947	7.6
55.01862	8.3
55.05512	28.0
57.03422	24.6
57.07069	6.5
61.22442	5.1
67.05508	73.5
67.86005	5.2
69.03415	15.1
69.07071	32.0
69.38435	25.9
69.38864	25.4
71.04977	10.8
77.53168	5.0
79.05494	66.2
81.03416	38.3
81.07056	100.0
83.05006	12.1
83.08627	18.1
83.38288	4.7
85.02882	18.7
85.06520	6.1
86.05265	4.8
91.05482	60.3
93.07037	75.5
94.20201	5.3
95.04963	16.1
95.08609	34.9
97.02918	12.9
97.06527	22.4
97.10172	5.3
102.04537	5.3
103.03958	13.7
105.07038	48.6
107.04922	12.8
107.08610	35.9
109.02875	16.8
109.06514	12.3
109.10152	16.9
111.04465	6.8
111.08052	8.4
117.07015	21.9
119.08600	31.3
121.06459	9.5
121.10152	25.1
123.08030	11.8
125.09668	7.1
127.03924	30.6
129.07047	10.9
131.04929	6.0
131.08565	27.8
131.77013	5.5
133.10138	27.6
135.11639	34.3
141.06970	6.6
145.06516	5.3
145.10121	21.2
147.04385	6.4
147.08066	9.2
147.11676	12.7
149.09596	17.9
149.13214	25.5
157.10149	7.1
159.11688	26.2
161.13240	7.3
163.11203	11.5
171.11697	11.1
173.11763	6.2
173.13223	7.3
175.11086	7.0
177.12807	31.3
179.14323	13.8
181.12231	8.9
189.11299	5.4
193.12236	9.3
195.13770	31.8
213.14851	7.2
255.15921	24.9
257.18982	15.3
269.17462	78.2
275.20129	47.0
293.21127	8.7
303.16113	7.3
321.16953	8.6
325.16479	6.5
339.17874	15.7
349.23740	33.5
367.24731	13.6
390.08224	5.9
419.24112	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	563.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01866	2.4
55.05511	19.5
57.03434	3.8
57.07057	3.7
63.15490	1.6
65.03925	3.9
67.05505	89.2
69.03429	2.2
69.07066	18.3
69.42121	16.8
71.04992	37.6
75.38419	1.8
79.05491	34.7
80.05831	1.9
81.03375	1.8
81.07056	100.0
83.04974	8.4
83.08630	11.8
85.06525	5.4
91.05481	39.3
93.07051	31.4
95.04977	5.5
95.08607	39.1
97.06524	7.5
97.10168	4.6
98.20628	1.7
99.08094	3.7
105.07011	20.2
107.08585	20.4
109.06513	6.0
109.10162	19.9
111.08069	4.8
117.07011	4.1
119.08564	7.4
119.48261	1.6
121.10152	11.2
123.11706	16.9
123.45076	1.6
125.09625	2.6
129.06953	2.1
131.08549	7.2
133.10123	23.8
135.11707	7.8
137.13287	2.1
145.10150	2.2
147.11682	4.7
149.09656	2.0
149.13278	8.2
151.11169	13.6
153.12753	2.9
159.11691	9.7
161.13280	3.3
163.14905	1.9
171.11629	2.1
173.13246	1.7
175.14836	2.6
177.12708	2.8
183.13838	17.0
187.13336	2.9
188.14502	1.7
195.13832	3.8
223.68028	1.8
227.12767	1.9
227.16331	2.4
245.22731	2.7
257.17545	2.3
261.22076	1.9
263.23721	7.7
283.19308	2.2
285.16864	3.5
503.23624	2.3
519.40442	22.2
531.40326	2.8
545.37921	2.7
563.43158	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	563.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.4
53.03947	11.6
55.01874	21.5
55.05511	32.2
56.05822	2.0
56.28440	1.9
57.03433	21.2
57.07060	8.4
61.02923	4.6
65.03928	3.3
67.05504	92.0
68.13398	2.1
69.03427	40.3
69.07066	33.1
69.50245	17.6
71.05000	9.9
71.08622	4.2
71.72639	2.2
73.02916	39.5
79.05070	2.6
79.05494	38.6
81.03421	32.4
81.07056	100.0
83.04976	16.1
83.08621	22.6
85.02451	2.6
85.02911	36.1
85.06524	3.4
85.10168	2.2
85.87335	2.2
87.04449	2.8
91.05476	31.0
93.03403	2.6
93.07041	38.8
95.04937	8.5
95.08604	81.9
97.02897	14.0
97.06528	7.1
97.10174	22.2
99.04447	19.3
99.08064	6.5
103.03915	2.6
105.07032	22.2
107.04893	2.9
107.08595	23.5
109.02124	3.3
109.02879	63.1
109.09460	3.7
109.10151	43.4
110.03660	8.8
111.04440	51.9
111.08015	5.0
111.11755	2.8
117.07004	6.7
119.08578	21.1
121.10130	23.6
123.08047	2.0
123.11696	19.7
124.84355	2.2
125.09644	5.4
127.03923	30.7
129.06972	4.0
131.08536	7.4
132.99541	18.4
133.10133	14.4
135.11697	15.2
137.09599	2.5
137.13240	10.4
139.11172	4.1
143.08482	2.9
145.10124	8.0
147.11662	9.3
149.09535	2.2
149.13268	11.2
151.00587	7.0
151.11192	3.5
151.14871	4.1
155.00053	3.1
156.54692	2.0
157.10114	5.2
161.13264	10.0
163.11162	3.0
163.14809	7.9
165.12727	3.3
169.01683	2.7
172.98978	3.5
173.11685	2.0
173.13220	2.3
175.14835	7.3
176.16312	2.1
178.81131	2.5
181.12349	2.1
185.13205	2.0
189.11308	2.2
189.16338	4.0
191.00069	30.3
203.18021	2.4
207.17430	3.1
209.01115	8.0
227.12770	3.7
245.13850	2.7
245.22656	20.0
263.23679	39.8
291.23007	2.4
294.34790	2.4
337.27350	35.9
545.37799	6.9
563.28656	36.3
563.38483	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	563.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01881	1.9
65.03941	1.2
67.05505	1.5
68.99791	3.8
69.03412	1.2
69.57419	0.9
70.06593	1.2
71.59438	1.5
79.05478	2.8
81.03407	1.9
85.02906	2.5
86.09706	1.3
91.05484	5.6
95.04981	4.9
97.02882	1.2
97.16616	0.8
98.60386	0.9
98.97572	1.3
105.07048	1.3
107.04955	100.0
109.02837	1.4
111.00798	1.4
111.04440	2.4
115.05460	1.6
116.98603	1.3
119.04936	35.0
120.81181	0.8
121.02877	4.0
123.04427	42.7
124.04809	1.0
127.03904	4.4
128.06238	1.1
131.04921	1.2
131.08531	1.2
133.06503	5.2
135.04420	3.7
137.02390	1.1
137.06020	1.7
139.03909	19.1
141.07030	1.0
142.43808	0.9
144.70805	0.9
145.02690	1.0
145.06490	5.3
147.04413	38.1
149.02361	6.1
151.03908	6.3
153.20853	0.9
157.06473	3.0
161.06009	5.6
163.03931	5.9
165.05498	6.1
167.03397	8.9
169.06593	1.0
171.04414	5.6
173.06020	1.5
175.03915	3.1
176.04626	0.9
177.05461	1.8
179.03407	5.9
179.06972	1.1
181.04964	1.8
181.06453	2.0
183.08012	1.1
185.05919	2.9
187.03929	1.7
187.07556	1.9
189.05475	8.8
191.03413	9.1
193.04929	5.9
195.09584	0.8
197.06046	1.5
199.07584	1.9
201.00653	0.9
201.05406	2.9
203.03381	8.6
203.06926	1.5
205.04959	1.2
207.06532	1.8
213.05484	3.7
215.03397	1.7
215.07118	1.7
217.04948	2.6
219.06783	0.9
227.07072	2.6
229.04976	5.3
231.06516	18.7
233.04466	2.3
239.06949	1.6
241.04929	1.7
243.06516	3.9
245.04448	10.5
245.08144	2.3
247.06035	1.2
249.03113	1.3
255.06548	10.9
257.04474	11.3
258.05096	1.8
259.05893	1.3
267.06607	5.5
269.04544	2.0
269.08121	3.3
271.05905	2.0
273.07529	9.6
275.05481	9.5
278.27737	0.9
285.07562	8.2
287.05511	24.4
291.03860	2.9
291.08694	5.7
297.07611	2.7
299.05478	8.6
303.08560	2.0
325.07318	1.0
353.10052	0.9
393.09634	11.1
395.11151	3.7
405.09375	1.2
409.09088	14.1
419.11093	3.8
421.09140	1.1
427.10410	4.1
431.12650	1.4
437.12469	1.1
439.10229	3.7
530.39911	0.9
563.22797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1547
Annotation	Epiafzelechin-(4beta->8)-epicatechin
Peak:m/z	Relative Intensity
50.86756	1.5
55.01863	2.7
59.27349	1.6
62.46697	1.9
68.99792	6.4
69.83414	6.0
69.83819	5.1
71.11724	1.7
79.05485	2.5
79.22860	1.6
85.84695	1.7
91.05471	6.5
95.04984	4.0
107.04958	100.0
111.00836	2.5
111.04438	3.5
115.05469	2.0
119.04944	56.6
119.05787	3.6
121.02860	8.3
123.04433	26.0
123.71197	1.8
127.03909	7.4
133.06491	5.6
135.04424	2.8
139.03909	33.7
145.06499	13.4
147.04413	59.3
149.02361	7.1
151.03880	14.4
157.06494	4.5
161.05986	6.4
163.03906	6.3
165.05486	8.6
167.03419	21.2
171.04462	9.5
175.03883	3.2
177.05402	2.8
179.03380	8.6
181.06448	2.7
185.06018	4.6
187.07558	2.8
189.05479	9.9
191.03375	11.4
193.05028	4.1
199.07561	3.0
201.05438	2.9
203.03391	11.7
205.04929	2.0
211.07693	2.7
213.05458	4.5
215.07004	2.1
227.06984	6.4
229.04918	4.9
231.06535	23.0
233.04410	4.1
239.07048	2.8
243.06558	11.3
245.04518	6.0
245.08087	5.0
251.05513	2.5
255.06537	17.8
257.04462	10.7
257.08078	1.9
267.06586	6.8
269.04520	2.7
273.07587	28.6
275.05450	21.0
285.07599	18.5
287.05527	28.8
291.08554	11.5
299.05420	5.5
393.09729	20.6
395.11340	3.3
409.09216	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	563.155
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
55.01866	1.9
60.06268	1.7
60.68832	1.6
68.99788	3.6
70.06582	2.4
70.65545	5.5
72.82418	1.8
79.05491	2.3
81.03396	1.8
91.05486	7.3
95.04992	5.6
97.02885	1.9
107.04957	100.0
109.02908	2.7
111.00795	2.1
119.04939	46.3
121.02860	5.1
123.04441	35.3
127.03924	6.8
133.06483	8.3
135.04385	2.7
137.05984	2.7
139.03900	36.1
145.06496	11.8
147.04419	54.2
149.02357	7.7
151.03903	11.4
157.06526	5.2
161.05984	8.1
163.03909	7.2
165.05449	9.4
167.03397	17.0
169.06389	1.7
171.04372	10.5
175.03844	2.8
177.05547	3.0
179.03387	11.8
181.04973	2.1
181.06456	2.9
185.05943	3.8
187.03897	3.1
187.07480	3.3
189.05527	9.5
191.03334	13.9
191.04768	1.5
193.04939	3.6
199.07495	2.1
201.05450	4.7
203.03424	9.0
205.05014	2.3
207.06616	2.5
212.66812	1.6
213.05498	3.2
215.03462	1.8
215.07202	2.4
227.07057	7.4
229.04915	3.7
231.06529	23.5
233.04367	5.5
239.06985	2.2
243.06564	8.5
245.04485	6.3
245.08041	4.4
247.69965	2.0
251.05478	2.7
255.06467	17.4
257.04465	11.1
257.08002	2.3
267.06595	7.9
273.07611	23.7
275.05444	19.8
285.07468	18.4
287.05499	30.2
291.08594	15.3
299.05435	5.3
393.09668	19.9
395.11136	5.4
409.09055	6.1
411.10712	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	563.1548
Annotation	Gambiriin C
Peak:m/z	Relative Intensity
53.03940	2.1
55.01875	2.4
55.45171	1.0
65.03925	2.1
67.05544	1.5
68.99785	8.3
69.03444	0.9
70.06591	1.2
70.24113	0.9
71.32064	1.1
71.32403	1.4
79.05493	2.1
81.03410	3.2
83.04994	1.7
85.02908	2.3
85.06540	1.5
89.03880	1.3
91.05470	4.1
93.03397	1.1
94.40765	1.1
95.04979	4.6
97.02868	1.2
98.20838	1.2
99.04439	1.2
103.05480	2.1
105.07041	1.2
107.04955	73.0
109.02905	2.8
111.00806	3.1
111.04453	4.8
115.05463	1.3
119.04105	1.5
119.04945	27.0
121.02870	4.4
121.06490	1.3
123.04431	36.6
127.03918	100.0
131.04948	4.0
133.06482	3.0
135.04416	28.7
135.05426	1.9
137.02338	3.3
139.03903	62.4
141.06996	1.5
145.06520	8.2
147.04410	28.1
147.05521	2.1
149.02344	7.0
149.05992	6.8
151.03906	12.9
157.06505	4.2
159.04440	4.3
161.06003	5.9
163.03903	35.9
165.05548	5.8
165.06827	1.3
167.03424	15.0
169.06488	1.7
171.04373	5.4
171.08052	1.1
173.06006	3.5
175.03944	4.5
177.05441	5.1
179.03395	8.9
181.06485	1.5
185.05998	4.0
187.03835	5.6
187.07596	2.1
189.05489	7.4
191.03397	19.1
191.07036	1.9
193.04985	5.9
197.05991	4.2
199.07591	2.0
201.05515	6.1
203.03375	14.5
203.07072	1.8
205.05008	3.6
207.06552	1.8
209.06003	1.3
213.05496	3.3
215.03416	2.6
215.07042	3.5
217.04979	2.7
225.05334	1.3
227.07011	3.6
229.04967	9.3
231.06502	14.5
233.04446	8.1
239.07048	1.8
241.04968	2.2
243.06540	9.2
245.04495	9.9
245.08176	1.6
247.06046	12.2
251.05356	1.7
255.06552	10.3
257.04449	16.0
257.07315	1.7
257.07990	1.5
258.05350	1.2
259.06036	7.2
267.06540	3.8
268.93021	1.0
269.04498	4.5
271.06076	15.3
273.07599	13.9
275.05536	20.3
275.09137	9.1
283.06064	5.5
285.07614	8.3
287.05505	34.4
287.08835	2.4
289.07068	8.5
291.08585	7.7
299.05521	6.6
301.07037	7.3
393.09695	14.8
395.11087	4.0
409.09158	14.2
411.10764	3.4
421.08948	1.3
427.10144	2.4
439.10379	1.1
563.22467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01865	1.8
57.03429	1.1
61.02898	1.3
64.42863	0.8
66.27656	0.8
67.05489	0.9
69.03426	8.6
69.26136	0.8
70.06594	1.3
70.95896	1.8
73.02894	1.0
74.06606	0.8
79.05479	2.6
81.03425	7.5
81.07029	1.2
85.02901	9.8
86.09703	0.9
87.00840	4.1
91.03992	0.8
91.05516	0.7
93.07014	1.0
95.04987	1.0
95.08604	1.3
97.02893	4.7
97.06506	0.8
99.04464	1.3
105.01872	3.3
107.04957	3.1
109.02870	4.6
119.04879	1.0
123.04449	1.2
127.03901	6.6
137.05945	1.6
141.84245	0.8
145.02858	2.2
145.04944	2.0
147.04382	1.3
159.02898	2.2
161.02318	3.9
163.03903	100.0
181.04967	25.7
205.04912	1.5
255.06583	1.3
297.07571	30.3
304.30441	0.8
315.08618	49.4
316.08853	1.0
562.32367	3.5
563.33405	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	562.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.2
53.03938	8.6
53.70633	2.6
55.01880	13.6
55.05510	53.0
57.03439	16.6
57.07075	4.4
58.03951	2.5
59.04990	6.5
65.03935	5.3
65.68878	3.3
67.05502	100.0
68.05844	4.6
69.03420	9.8
69.07068	22.5
69.97332	14.3
71.04998	15.8
71.08619	2.8
73.02917	7.1
79.05491	45.7
80.05790	3.0
81.03423	15.3
81.07053	76.5
82.03811	3.5
82.07386	5.0
83.04983	12.5
83.08627	22.8
83.58568	2.8
85.02906	18.6
85.06533	6.1
87.04471	9.7
91.05469	35.4
92.05801	3.9
93.07044	39.3
94.07396	5.5
95.04961	11.0
95.08596	35.2
95.09157	3.8
97.02882	4.7
97.06522	11.4
97.10164	31.6
98.20779	2.8
103.03945	5.0
105.07036	19.9
106.07349	4.0
107.04987	5.7
107.08596	26.2
108.08953	4.5
109.02866	6.5
109.10159	53.5
111.04444	7.6
111.08086	5.1
117.07031	15.2
118.07391	3.5
119.08583	19.3
121.10151	12.6
123.08052	4.0
123.11696	8.6
125.09629	27.6
129.06947	3.0
131.08575	9.5
132.08922	3.8
133.10127	14.8
134.10460	4.2
135.08026	2.9
135.11679	13.6
137.09625	6.0
143.10727	6.6
145.10110	12.1
147.11690	8.2
148.12015	3.8
149.13316	7.5
151.11169	4.8
153.12749	9.1
157.10170	3.8
159.11644	5.9
161.13326	2.8
162.08353	2.8
163.11192	10.4
173.11739	26.4
174.13411	3.0
175.14880	3.3
181.12303	6.0
191.00153	3.6
191.10602	4.5
193.12227	5.2
195.13824	8.3
199.13225	4.4
209.11739	8.4
217.14349	5.2
227.12769	11.5
229.14339	38.0
257.13907	9.4
283.15424	4.7
301.16391	11.6
301.19733	4.2
319.17450	3.4
352.41815	3.0
452.32483	3.4
469.31693	13.0
483.33533	3.3
488.34012	3.5
526.36365	3.8
527.31494	4.7
544.36975	13.9
562.38971	17.7
563.28253	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
55.01862	10.2
55.05507	22.2
57.03421	9.8
57.07068	2.5
61.02902	3.7
61.33911	2.3
65.03938	4.8
67.05502	71.5
69.03431	17.8
69.07066	20.4
70.32772	2.9
70.33128	10.2
71.04975	9.2
79.05492	35.6
81.03416	32.1
81.07051	66.1
83.04976	13.2
83.08606	8.0
85.02885	11.1
85.06509	5.5
91.05475	67.3
93.07038	44.3
95.04964	17.8
95.08596	19.0
97.02870	5.4
97.06519	7.6
97.10162	4.1
99.04444	5.0
105.07032	50.9
107.04936	9.4
107.08592	44.1
109.02866	17.1
109.06502	10.6
109.09463	4.5
109.10155	63.8
111.04418	2.8
111.08086	6.4
113.05956	4.3
117.07005	8.3
119.04931	2.2
119.08601	13.6
121.06509	9.4
121.10123	11.2
123.04446	2.8
123.08105	5.1
123.11674	10.9
125.05952	2.2
125.09606	2.8
127.03920	26.4
127.07518	3.4
129.07043	4.1
131.08583	12.9
133.06477	6.4
133.10127	100.0
135.08061	8.1
135.11664	5.6
137.09583	4.6
143.08554	3.6
145.10124	7.2
147.08003	4.1
147.11696	4.4
149.09628	11.1
151.07536	2.6
151.09985	2.7
151.11185	49.8
157.10115	4.0
161.09589	10.9
161.13132	2.6
169.12186	13.1
171.11673	5.0
172.28644	2.5
173.09607	2.7
175.11279	6.1
177.05592	2.3
177.09117	5.6
179.10716	4.7
197.11676	3.0
203.10614	2.6
211.13315	3.2
215.12810	9.4
221.11589	3.2
223.13318	2.7
226.98286	2.8
239.12744	3.1
245.19049	6.4
253.14357	86.4
255.17566	3.3
263.20065	13.2
269.13803	3.8
271.15488	17.5
273.18503	30.5
291.19476	35.1
323.14774	14.2
341.15891	18.4
347.22104	6.6
355.65497	2.8
365.23224	45.4
366.23325	3.2
435.23743	12.7
453.24533	4.1
477.28226	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01877	8.9
55.05516	17.0
57.03435	12.2
61.02898	3.4
67.05509	55.5
67.05870	3.0
69.03415	5.6
69.07084	12.6
69.38927	3.5
69.39326	22.5
71.04986	5.3
79.05494	36.4
81.03423	16.6
81.07057	50.5
83.04980	13.4
83.08629	9.7
85.02925	5.6
85.06547	6.8
91.05485	47.0
91.23216	2.3
93.07050	31.1
95.04976	12.3
95.08608	14.2
97.02856	4.3
97.06551	5.5
97.10198	3.7
98.21570	5.0
99.04435	3.1
105.07040	41.5
107.04959	7.3
107.08600	34.0
109.06528	7.0
109.10158	53.0
111.04435	2.2
111.08072	5.3
117.07004	5.5
119.08587	13.6
121.06511	6.7
121.10155	8.5
123.11714	7.5
125.09684	3.3
127.07602	3.3
129.07036	4.8
131.08580	10.9
133.06491	7.1
133.10143	60.8
135.08078	8.2
135.11739	3.3
137.09647	2.6
143.08553	5.7
145.10124	6.0
147.08047	2.9
147.11725	5.7
149.09653	7.8
151.11208	32.0
157.10126	3.7
161.09669	5.3
163.11317	3.6
169.12257	8.1
175.11157	3.5
177.09109	2.9
215.12769	5.5
245.19221	4.7
253.14362	100.0
267.15808	6.2
269.13882	5.1
271.15417	14.4
273.18530	14.4
285.16898	3.1
291.19446	16.1
347.22183	6.4
365.23245	76.2
366.23901	2.5
432.12912	3.2
459.27023	4.0
477.28299	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.90041	0.9
55.01866	2.6
55.05514	10.4
57.03448	1.7
67.05496	10.4
69.03429	5.9
69.07063	10.4
70.65429	3.7
71.04985	1.1
79.05489	10.4
81.03418	9.5
81.07059	10.8
82.03697	1.1
83.04991	1.6
83.08625	4.8
85.02890	3.2
90.99975	1.1
91.05468	8.6
91.39157	0.9
93.07050	7.6
95.04961	4.4
95.08602	5.1
97.02894	5.3
97.06530	1.8
97.10173	6.4
105.07050	7.9
107.04953	3.6
107.08575	5.9
109.02882	4.3
109.06524	1.7
109.10140	3.0
111.08055	1.4
117.07001	3.4
119.08557	7.4
121.06525	1.7
121.10152	2.7
123.08065	2.1
125.09623	5.2
127.03913	9.6
129.06982	1.8
131.08559	4.4
133.06432	2.2
133.10118	2.7
135.08070	2.2
137.09599	1.2
143.08623	1.8
145.10124	3.6
147.08092	2.5
147.11719	1.4
149.13356	1.0
157.10168	1.4
159.11784	1.7
163.11137	1.6
173.11682	1.1
175.11157	1.2
189.11180	2.3
193.12202	3.0
211.13036	1.0
223.13312	8.7
227.12782	1.8
249.14922	2.6
263.20020	1.2
267.15887	1.6
273.18524	8.6
285.16974	2.2
291.19547	100.0
292.19974	2.6
304.85599	1.3
365.23257	18.5
435.23779	7.6
459.27328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03946	7.7
55.01867	9.5
55.05495	1.9
57.03436	23.0
59.04982	3.6
60.04513	3.5
61.02925	8.2
67.05495	1.3
68.22832	1.0
68.99777	4.1
69.03427	95.7
71.01347	2.4
71.04988	6.8
71.59070	1.4
71.81850	1.1
73.02917	8.0
75.04472	2.6
79.05482	2.5
80.05013	1.4
81.03418	38.7
81.07044	1.5
83.01322	2.4
83.04984	13.2
84.04485	1.1
85.02902	100.0
87.00829	37.2
87.04469	23.8
91.03940	3.0
91.05475	3.4
93.32063	1.0
95.04964	1.5
97.02890	99.5
97.06512	1.0
99.04446	20.4
101.02367	1.5
101.06036	0.9
103.03927	2.4
103.05446	2.0
103.58360	0.8
105.01864	47.2
105.07033	4.4
106.76152	1.0
107.04929	2.3
108.04454	3.8
109.02879	34.7
111.04440	8.4
113.02341	1.2
115.03925	36.9
117.01835	4.2
117.05454	1.7
117.06989	1.2
119.04900	1.4
119.08543	1.5
121.02836	1.0
121.06500	1.7
122.03699	1.2
123.04420	3.9
125.02361	2.3
125.06028	2.0
126.05496	1.8
127.03911	70.5
129.01808	3.9
129.05476	5.1
129.07028	1.7
131.04947	1.1
133.04967	20.7
133.06493	3.7
135.04442	1.3
137.05971	22.6
139.03918	6.8
145.04955	35.7
145.06442	2.9
147.02878	4.4
149.06000	2.8
150.07607	15.3
151.03906	4.2
157.06436	2.1
159.02893	21.1
159.04230	1.0
161.09509	1.2
163.03922	1.0
165.05475	1.3
165.09126	10.6
167.07066	1.9
169.04951	2.0
171.02884	1.9
172.28426	0.9
174.06766	1.9
175.07553	2.2
177.04034	2.3
177.05472	6.5
177.09079	8.1
181.04976	2.5
183.02939	2.0
189.03978	5.7
189.09119	10.8
191.10667	1.4
195.06451	1.2
201.03946	2.7
201.09084	4.9
203.10718	1.4
205.04935	4.5
205.08795	1.2
207.10196	6.7
213.03909	8.9
215.05597	1.1
217.08604	1.1
219.10083	2.0
223.06017	5.0
227.10730	2.7
231.04980	18.5
231.10223	3.1
241.07132	8.1
245.11740	1.9
248.07649	4.1
249.06120	3.0
255.06644	2.2
255.10153	5.0
259.08182	1.4
266.08722	1.6
273.06058	2.8
273.11139	5.7
281.06607	1.2
291.12201	2.6
301.09106	1.2
309.06006	2.6
325.67447	1.2
327.07019	8.6
345.08063	9.3
363.09161	2.2
377.12363	1.9
383.41354	1.1
399.26904	1.6
400.27652	2.4
562.32556	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01870	8.9
55.05509	3.7
56.37809	1.0
57.03185	1.6
57.03437	18.8
59.04999	2.5
60.04515	2.4
61.02920	7.1
62.17562	0.9
67.05517	1.3
68.99782	3.4
69.03429	83.2
70.84403	2.1
70.84740	1.3
71.01366	2.3
71.05002	5.0
73.02921	10.3
75.04466	1.5
79.05500	0.9
81.03416	34.9
83.01322	1.6
83.04991	9.6
83.76975	1.2
85.02903	100.0
87.00827	37.3
87.04469	23.3
91.03951	2.2
91.05468	2.9
93.07015	1.0
95.04984	1.8
97.02892	98.0
98.58780	0.9
99.04448	18.8
103.03947	3.0
103.05446	1.2
105.01862	50.8
107.04946	1.8
107.83789	1.0
108.04477	2.8
109.02883	35.8
111.04427	6.2
115.03927	38.9
117.01854	3.6
117.05518	1.5
119.04967	1.0
121.06497	1.2
123.04432	3.0
124.49102	0.9
125.02341	2.6
125.05936	1.0
126.05511	1.9
127.03917	82.3
129.01826	3.4
129.05458	4.0
129.06972	1.0
133.04959	21.5
135.04439	2.3
137.02396	1.3
137.05997	6.0
139.03947	5.3
143.03423	1.9
145.04958	47.4
147.02896	4.0
148.05241	1.4
149.06003	1.7
150.07620	16.6
151.03917	3.3
159.02890	24.9
159.04269	1.5
161.05972	1.6
163.03932	1.9
165.01929	1.1
167.07082	1.4
169.04980	1.2
171.02954	1.3
175.07449	1.2
177.04062	1.6
177.05460	7.5
181.05008	1.5
183.02895	2.2
187.07489	2.1
189.03937	4.0
189.09071	15.2
201.03949	3.2
201.09033	1.1
205.04950	4.0
207.10182	3.8
213.04030	7.0
215.05537	3.0
219.05060	1.3
223.05969	6.6
227.10730	1.1
231.04993	23.1
231.10091	6.4
241.07074	9.8
242.69284	1.2
247.04550	1.1
248.07648	3.9
249.06087	4.5
255.10188	3.2
259.08160	2.2
266.08887	1.7
273.06055	3.0
273.11160	6.2
281.06467	1.1
301.09177	2.1
309.06076	3.1
327.07172	9.1
345.08066	9.2
359.11295	1.5
363.09207	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	561.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
51.82111	1.0
53.03944	4.4
55.01862	1.4
55.05511	21.8
57.03427	2.6
57.07072	3.0
58.90678	1.1
59.05007	1.9
61.02924	1.3
65.03944	4.8
67.05504	86.1
69.03438	3.2
69.07063	16.9
71.04992	57.8
71.33452	1.0
71.33813	1.9
79.05492	60.1
81.07055	100.0
82.07418	1.2
83.04970	11.1
83.05383	1.2
83.08613	10.3
85.06540	7.3
91.04894	1.7
91.05076	1.0
91.05481	58.4
93.07043	64.1
95.04974	10.5
95.08605	38.7
97.06516	9.3
97.10172	3.3
99.08075	2.9
99.40367	0.9
101.06030	1.2
105.04559	1.3
105.07031	32.8
107.04958	1.7
107.08594	33.6
107.09283	2.1
109.06527	5.3
109.10149	15.8
111.08097	3.7
117.06998	8.2
119.08560	10.6
121.10149	26.7
121.64711	1.0
123.08080	1.3
123.11710	16.8
129.06981	2.5
131.08571	15.5
133.10127	29.2
135.11707	15.6
140.61731	1.2
145.10085	5.7
147.11707	4.6
149.13254	13.8
151.11186	14.7
159.11700	13.0
161.13275	5.3
163.14827	2.2
169.12286	1.4
171.11703	1.2
173.13322	3.4
175.14906	1.7
177.12785	3.5
183.13792	19.6
187.13342	4.6
187.14838	2.6
195.13750	5.8
201.14871	1.3
201.16464	1.5
213.14857	1.3
227.16492	2.6
241.01288	1.1
243.20844	1.3
257.17630	1.5
259.20609	1.1
261.22183	6.3
269.17661	2.3
283.19156	3.7
285.16980	5.5
335.25995	1.3
361.27759	1.7
363.25375	3.6
455.34558	1.4
517.38904	28.9
529.38934	10.3
561.41608	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92022	1.5
53.03931	5.2
55.01857	4.1
55.05264	2.2
55.05506	26.9
57.03434	4.1
57.07071	3.5
59.04993	1.8
65.03928	4.6
67.05504	84.7
68.48775	1.5
69.03418	4.2
69.07068	22.6
70.22644	5.6
71.04992	42.7
71.08608	1.7
79.05490	61.6
81.03408	2.6
81.07053	100.0
83.04979	13.7
83.08617	12.4
85.06532	9.2
91.04900	2.8
91.05476	60.3
93.07037	63.6
95.04970	11.9
95.08606	44.7
97.06535	11.6
97.10154	6.3
97.76442	1.6
98.21521	1.7
99.08051	4.4
103.05435	2.1
105.04527	2.0
105.07027	36.1
107.04965	2.8
107.08593	36.2
109.06503	5.5
109.10140	17.4
111.08086	3.1
117.07024	12.5
119.08561	21.8
121.06469	2.7
121.10144	24.4
123.08064	2.4
123.11682	13.4
125.09616	4.1
129.06995	4.2
131.08562	20.6
133.10132	31.7
135.08049	3.9
135.11687	18.2
137.09622	2.1
139.11221	2.1
143.08537	5.0
145.10129	13.0
147.11650	7.6
149.09575	2.6
149.13277	13.6
151.11148	11.3
155.08528	2.9
157.10181	3.6
159.11693	13.8
161.13260	8.9
163.11171	4.1
163.14798	2.2
169.10190	2.5
171.11641	3.4
173.13242	3.8
175.14842	2.5
177.12735	4.5
183.13829	12.6
185.13283	3.1
187.13304	2.7
187.14914	2.7
195.13721	3.6
197.13232	2.0
211.14766	2.0
214.39575	1.6
227.12759	6.5
253.14207	2.7
253.18091	1.9
257.17300	1.8
259.20642	1.7
261.22198	4.4
269.17484	3.1
275.20062	4.4
283.15405	2.7
289.21783	1.7
291.19452	3.4
293.21075	3.2
317.24643	2.8
335.25696	4.3
349.23669	3.0
361.27167	2.2
417.29584	1.7
437.34064	4.0
469.33115	1.9
511.37589	1.8
517.39026	16.4
529.38934	18.3
543.36658	7.7
561.41064	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	561.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56063	1.3
51.02366	1.7
53.03942	4.3
53.14734	1.7
55.01867	3.7
55.05261	2.0
55.05510	25.3
57.03428	4.8
57.07069	2.7
64.72702	1.4
65.03935	4.2
67.05501	87.9
69.03418	2.7
69.07063	20.7
71.04990	48.0
71.08617	4.7
71.87975	1.3
75.45322	1.3
79.05490	63.7
81.03419	2.8
81.07053	100.0
82.07382	1.5
83.04976	11.6
83.08619	14.2
85.06545	7.5
87.04418	1.7
91.04890	2.4
91.05476	65.6
93.07041	66.0
94.57503	1.4
95.04959	13.3
95.08601	41.8
97.06538	9.4
97.10149	4.5
98.21516	4.0
99.08109	7.6
105.04507	1.9
105.07026	32.8
107.04942	1.8
107.08589	32.8
109.06521	4.6
109.10162	18.8
109.69510	1.5
111.08084	4.1
111.78415	1.4
117.07008	10.6
119.08572	15.7
119.20135	1.4
121.06489	2.3
121.10139	24.5
123.08061	3.2
123.11687	15.9
125.09625	3.8
129.07013	3.4
131.08583	16.1
133.10130	27.7
135.08031	3.1
135.11700	13.0
137.09650	2.9
137.13239	1.5
139.11143	1.6
143.08542	2.2
143.11850	1.3
145.10120	9.7
147.11664	4.6
149.09671	2.3
149.13235	12.7
151.11200	11.0
155.08672	1.4
157.10147	2.6
159.11685	10.5
161.13268	5.2
163.14835	2.5
173.13312	3.7
177.12766	5.6
183.13789	16.0
187.13242	2.6
187.14778	2.1
195.13695	7.2
201.14743	1.7
214.99051	1.3
227.12746	3.2
229.57474	2.4
257.17368	1.8
261.22141	3.6
269.17480	2.0
275.20062	2.4
283.19223	2.1
285.16895	4.1
293.21136	26.5
361.26978	1.5
363.25201	4.1
517.38898	19.4
529.38574	5.4
543.36707	5.1
561.41364	48.4
562.39478	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01882	10.7
55.05272	2.1
55.05511	34.0
57.03425	9.6
57.07068	4.1
59.04951	1.8
62.76558	2.0
64.03751	1.8
65.03941	4.5
67.05504	89.8
69.03424	3.9
69.07065	26.3
71.04978	8.8
71.59348	1.9
78.63505	2.4
79.05491	83.6
81.03398	6.7
81.07056	90.4
83.04980	11.7
83.08611	19.8
85.06552	4.1
87.04449	2.3
89.02352	2.3
89.88891	2.2
91.05477	52.7
93.07040	100.0
94.07390	2.6
95.04961	20.2
95.08604	79.7
97.02902	2.0
97.06521	12.9
97.10166	6.3
99.04439	4.1
99.08070	3.5
105.04549	2.8
105.06384	3.1
105.07032	32.3
107.04948	12.5
107.08592	59.6
109.06504	4.8
109.10152	30.3
111.04469	4.6
111.08046	4.1
111.11676	4.2
115.05489	2.7
117.07016	23.1
119.08581	31.0
121.06492	8.4
121.10134	61.2
123.08062	3.9
123.11707	6.3
125.06010	4.7
125.09630	3.4
129.06999	3.8
131.08572	20.9
133.10120	20.2
135.08035	5.5
135.11694	63.3
139.07515	3.8
139.11200	14.6
143.08549	4.8
145.10121	39.1
147.11656	7.0
147.39545	2.3
149.09644	5.2
149.13278	10.8
151.11128	2.8
153.12767	2.4
157.10202	3.0
159.11691	9.6
161.09593	2.2
161.13249	7.4
163.11177	56.0
163.14818	5.4
171.11670	4.6
173.09621	3.3
173.13274	8.1
175.14764	4.4
177.12752	2.4
179.14316	3.0
181.12257	17.3
183.11824	2.8
184.89169	2.2
185.11719	3.5
187.14803	3.4
189.38228	2.2
191.10663	3.0
199.14899	3.2
209.11665	5.7
227.12787	91.9
243.21056	6.2
245.13853	36.3
261.22177	26.4
265.14383	2.5
275.20007	6.0
277.21597	3.1
283.15405	30.7
283.81723	2.4
291.23340	2.7
293.21036	5.0
301.21573	3.1
317.24622	6.3
335.25833	38.3
426.32947	2.4
451.31964	3.6
525.35443	3.8
543.36755	31.6
561.37775	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01871	7.2
55.05508	29.9
57.03433	10.9
57.07075	5.4
65.03934	4.1
67.05502	89.1
69.03424	5.0
69.07059	27.0
70.20065	11.7
71.04987	6.6
71.08621	3.6
71.74368	2.3
78.35117	2.5
79.05489	86.9
81.03426	8.4
81.07053	97.6
83.04978	11.3
83.08611	19.5
85.06531	6.0
91.05473	53.0
93.07035	100.0
93.71394	2.6
95.04961	18.1
95.08603	83.4
97.02886	4.1
97.06509	10.6
97.10170	8.6
99.04446	4.0
99.08070	5.5
103.05474	3.8
105.07028	41.6
107.04959	13.0
107.08584	70.8
107.09295	4.2
109.06535	4.1
109.10151	25.2
111.04438	3.5
111.08033	6.3
115.05493	2.5
117.07037	20.8
119.08571	33.8
121.06509	8.2
121.10136	41.4
123.08078	4.1
123.11678	8.4
125.06039	2.9
125.09644	4.4
129.07013	7.7
130.07803	2.9
131.08551	24.2
131.37416	3.0
133.10150	21.9
135.08069	5.7
135.11682	59.0
137.09563	2.9
137.13347	4.5
139.11224	4.0
143.08563	5.8
145.10115	41.7
147.11696	14.3
149.09607	3.9
149.13280	13.9
151.11151	4.4
151.14932	3.0
155.08543	3.9
157.10159	4.8
159.11729	9.7
161.13338	4.7
163.11166	55.9
163.14815	7.3
169.10185	2.6
173.09647	6.9
173.11887	2.6
173.13289	9.5
175.14809	4.3
177.12796	3.0
177.16437	2.9
179.14297	3.0
181.12218	12.3
183.11623	2.8
187.14809	6.0
188.70058	2.8
191.10638	5.1
191.14401	2.5
209.11674	7.9
227.12769	98.4
243.21144	10.9
261.22125	31.3
265.14362	4.4
275.20206	2.7
277.21594	4.8
283.15353	29.9
285.22079	3.2
293.21234	3.8
317.24838	10.0
335.25797	54.6
451.31738	6.2
469.32993	8.6
525.36078	3.0
529.39063	13.9
543.36853	40.6
561.38422	27.6
586.17822	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	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16338	2.0
53.03941	4.9
53.86508	1.9
55.01860	6.4
55.05506	21.0
57.03426	8.1
62.26640	2.3
65.03923	2.8
67.05499	64.6
69.07074	13.8
70.17655	4.2
70.18073	6.9
71.04981	5.6
73.02937	2.9
74.39668	2.0
79.05060	4.0
79.05487	53.8
81.06582	3.9
81.07050	68.7
83.04957	5.1
83.08627	12.4
84.15807	2.0
91.05481	27.0
93.06474	3.9
93.07041	67.1
95.04940	12.7
95.08601	74.1
97.02888	3.1
97.06519	6.1
97.10179	3.0
99.04415	4.5
105.07024	23.8
105.32480	2.6
107.04935	8.1
107.08586	46.6
109.06512	4.3
109.08156	2.1
109.10142	21.9
109.65105	2.2
111.04382	2.3
111.08118	3.0
117.07005	14.0
119.08579	20.5
121.06510	8.4
121.10136	29.7
123.11683	8.9
123.50620	2.1
125.05974	2.7
131.08562	10.0
133.10103	13.9
135.08051	3.3
135.11685	55.0
145.10127	28.2
145.85658	2.4
147.11682	6.5
149.13232	8.8
151.11177	4.5
159.11674	7.0
161.13220	4.8
163.11165	53.8
163.14813	3.7
173.13263	4.5
175.41615	2.2
181.12204	11.5
187.14842	3.5
209.11757	3.1
227.12782	100.0
243.21109	7.8
261.22131	22.9
279.23425	2.1
283.15384	39.9
299.23880	3.1
317.24664	7.6
335.25775	48.2
469.32718	3.2
496.79971	2.5
507.65265	2.9
543.36768	26.2
561.38361	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43347	2.2
53.03938	2.7
55.01872	5.6
55.05514	26.1
57.03430	9.0
57.07075	3.6
65.03924	4.7
67.05500	66.5
69.07073	16.1
70.18031	4.9
70.18423	5.9
71.04980	8.7
71.08630	5.3
79.05064	4.3
79.05495	57.8
80.43591	2.4
81.03445	3.4
81.07055	78.5
83.04960	4.8
83.08613	8.1
86.80772	2.1
91.05482	34.6
93.07040	77.9
95.04951	10.5
95.08603	78.5
97.02909	4.3
97.06514	9.3
97.10185	4.1
99.04456	3.5
99.08126	2.9
105.07028	25.8
107.04943	9.6
107.08589	48.7
109.06469	4.4
109.10142	24.2
111.08031	2.8
116.11948	2.8
117.07030	14.8
119.08573	21.3
121.06500	7.9
121.10143	28.4
123.07986	2.4
123.11699	8.0
125.09584	3.5
130.07814	2.6
131.08565	9.8
133.10139	13.4
135.08005	4.2
135.11676	50.5
145.10104	36.3
147.11679	6.7
149.13272	9.6
159.11690	10.7
161.13237	7.2
163.11174	52.5
163.14793	3.1
173.13263	6.8
175.14836	3.5
177.12930	2.6
179.14116	3.2
181.12207	11.8
187.14949	4.8
209.11734	3.0
227.12769	100.0
233.22487	3.0
243.21100	5.4
246.93364	2.5
261.22095	32.0
283.15402	30.9
317.24750	10.3
335.25787	63.6
519.35205	2.5
543.36804	30.3
561.38806	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	561.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
57.03435	0.7
57.47830	0.5
58.06595	6.5
59.07373	1.6
60.08160	60.8
67.05497	1.5
68.99811	0.5
69.03418	1.7
69.07066	5.7
70.06580	1.2
71.08620	1.5
71.59737	0.8
72.08141	0.9
79.05487	1.0
81.03451	1.1
81.07041	0.8
82.06566	1.1
83.04991	0.6
84.08141	4.8
85.02900	1.1
86.09700	37.6
91.05483	1.9
93.07047	1.4
95.04956	2.1
96.08118	1.0
97.02895	0.7
97.06522	10.9
105.07040	0.9
107.04952	3.7
107.08599	0.7
109.02838	0.5
110.06054	1.4
112.07627	0.8
114.09169	1.5
114.12823	0.9
119.04926	3.1
119.07333	1.6
121.06525	1.0
121.10146	0.6
123.04419	4.1
124.07582	1.4
125.08356	0.6
126.09186	0.7
127.03918	1.3
131.04980	0.6
131.08549	0.5
133.06419	0.5
133.10123	0.7
134.05998	0.7
135.04459	1.1
135.06737	0.9
136.07590	3.9
137.02271	0.5
137.06004	0.5
141.10194	0.6
147.04388	2.6
151.03923	0.8
152.10632	1.3
152.14294	0.8
154.15921	2.2
155.08179	1.9
160.07579	1.0
161.05986	0.6
161.09631	1.1
163.03922	1.0
164.14430	0.5
165.05516	2.0
166.12361	0.6
173.09645	2.0
173.16553	1.8
177.09100	5.9
180.13837	2.9
182.08167	1.0
182.15454	1.5
189.05490	0.9
189.09122	4.4
190.12271	4.5
193.04955	0.5
200.10748	1.1
202.12260	8.6
202.60318	0.5
203.07246	0.6
208.13298	3.9
210.14882	0.8
219.10184	3.3
223.14528	1.0
226.10115	0.5
231.10080	5.4
236.12836	1.1
239.17613	0.7
243.45474	0.6
248.12801	5.2
275.13834	1.1
276.12314	0.7
295.16577	2.1
313.10815	0.7
315.20624	0.9
317.08432	0.9
358.21106	2.8
361.21326	1.4
389.20917	0.6
404.22113	0.8
432.20953	0.7
474.29642	0.8
502.29147	12.6
533.36957	15.8
561.36523	100.0
562.36987	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	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
57.03412	2.5
57.07074	1.9
60.94928	2.1
65.90395	1.8
67.05514	8.8
69.03431	3.2
69.07059	5.2
69.89808	4.2
69.90217	7.5
70.06599	2.6
71.04961	2.2
79.05512	3.1
81.03413	6.1
81.07059	8.6
83.04965	2.4
84.08136	11.8
85.02903	4.4
86.09707	100.0
87.15764	1.7
91.05475	4.7
93.07040	4.8
95.04974	5.0
95.08600	3.5
97.02917	4.4
105.07014	3.9
107.08572	2.8
109.10139	4.5
112.07652	2.8
118.22733	1.7
119.04991	3.9
119.08582	3.3
121.06490	2.1
123.04419	6.8
127.03888	2.5
127.72995	1.7
128.10706	17.6
131.08566	2.1
133.10121	2.3
135.04428	2.3
136.07520	2.7
137.05994	2.4
138.82886	1.8
147.04408	4.5
147.11591	2.2
149.09688	3.1
156.10274	2.4
159.11734	1.7
160.07529	2.6
161.05981	2.0
163.03952	3.0
170.45210	1.9
189.09106	8.2
197.16486	3.0
202.12270	17.3
208.13341	2.2
212.38353	1.7
225.15938	4.0
231.10132	10.9
248.12779	20.1
255.98904	2.0
265.15469	8.8
267.11374	2.3
267.17041	12.3
293.14957	2.9
295.16525	7.4
333.20789	1.9
361.21173	10.3
406.23315	21.6
448.24271	2.4
519.31677	2.1
561.22461	3.5
561.32471	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	561.2517
Annotation	Chloramphenicol palmitate
Peak:m/z	Relative Intensity
53.05375	0.3
55.52110	0.3
59.67971	0.3
61.84906	0.3
64.63405	0.2
67.05503	0.3
68.99773	0.4
70.94334	0.4
70.94673	0.5
80.90598	0.3
85.02905	0.5
85.93291	0.3
107.04939	0.7
119.04936	0.9
123.04439	4.7
130.06389	0.3
133.06490	0.7
135.04468	0.9
139.03905	2.8
147.04398	1.3
151.03964	0.4
161.06021	0.4
163.03906	3.1
165.05487	0.4
175.03978	0.3
179.03323	0.3
185.06029	0.3
187.03891	0.4
189.05502	0.5
193.08707	0.5
197.06123	0.3
201.05420	0.3
206.04596	0.3
213.05467	0.6
225.05502	0.4
229.05008	0.6
231.06592	0.5
241.04958	0.6
243.06604	0.6
245.04607	0.4
247.05994	0.4
255.06538	0.5
259.05963	1.9
271.06033	1.1
283.06024	0.5
287.05606	0.4
289.07272	0.4
317.08466	1.2
333.07993	1.0
335.09482	5.8
369.18805	0.4
391.07935	0.4
393.09613	1.0
409.09329	1.5
417.10068	0.3
421.09100	0.4
429.21002	0.7
543.24158	0.4
561.25171	100.0
562.25671	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	561.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.3
57.03441	4.0
61.02880	2.9
65.03938	3.5
68.99794	5.6
69.03412	5.1
71.58703	4.4
75.71585	2.8
77.51617	2.6
81.03412	10.2
85.02916	15.7
91.05479	7.0
93.03386	4.8
93.07076	5.1
95.04955	9.2
97.02892	17.7
105.07044	6.0
105.96635	2.7
107.04964	39.3
107.08627	4.8
109.02862	14.2
110.60684	2.8
111.04501	2.9
112.51423	3.0
116.98624	2.4
117.06996	8.1
119.04939	14.9
121.02876	34.5
121.06474	10.0
123.03565	4.5
123.04432	60.8
127.03905	9.0
129.06989	5.5
131.04965	8.1
133.02899	3.1
133.06491	10.0
133.10104	6.6
135.04425	37.0
135.11655	4.1
137.02309	3.3
139.03909	10.2
145.06499	11.3
147.04407	35.5
147.07961	3.8
149.02325	6.6
149.05988	6.3
151.03908	10.5
157.06516	4.5
159.04395	13.6
161.02415	4.1
161.05983	12.8
163.03905	21.4
165.01842	9.7
169.06425	3.8
171.04398	3.8
173.05966	16.4
173.13280	7.9
175.03868	8.4
175.07556	4.7
177.01854	12.8
177.05472	12.4
181.04956	3.4
183.02908	10.9
185.05992	4.7
187.03987	16.3
189.01776	17.7
189.05487	6.8
191.03406	16.5
191.14301	8.2
193.05023	5.6
195.02916	46.4
197.05971	4.9
201.01826	6.6
201.05473	31.5
201.36734	2.6
203.03366	23.6
205.04912	4.1
207.02892	19.4
213.05525	5.8
215.03415	20.0
215.07080	6.0
217.01242	3.1
217.04968	8.4
219.02940	24.5
221.00810	6.4
221.04471	12.1
223.02347	5.7
225.05504	3.9
227.03365	12.2
229.04970	34.8
231.02890	73.4
231.06607	9.1
233.04390	9.8
235.02306	3.5
239.03319	4.0
241.04912	7.0
243.02887	51.9
243.06551	12.3
245.04440	17.1
247.02324	3.1
247.06094	12.6
249.03934	35.1
253.05042	6.8
255.02881	13.5
255.06456	8.2
257.04410	36.7
259.02466	6.5
259.05966	7.4
261.03995	27.5
267.02725	5.7
267.06766	4.1
269.04388	17.4
270.76736	2.5
271.06003	30.0
273.03961	45.5
275.05408	3.5
276.92474	2.9
279.04916	4.6
281.04434	11.6
283.06052	16.3
285.03940	100.0
285.07056	4.4
287.05499	15.2
289.03577	3.9
289.07025	4.6
291.05011	25.9
297.03894	25.7
297.07550	23.4
299.05533	25.8
303.05020	6.8
303.08371	4.0
309.03830	7.6
309.07309	8.6
311.05511	8.9
313.07047	5.8
315.05084	20.7
321.06989	3.1
324.90027	2.6
327.04980	71.2
335.09329	10.9
339.05017	17.0
339.08563	4.5
345.06116	21.3
351.08752	28.8
357.06131	19.5
363.07089	85.4
369.05933	12.2
375.07138	15.3
381.09946	17.0
387.07071	14.8
391.08249	5.7
393.09299	32.9
405.08392	57.2
409.09113	22.8
411.10559	18.4
417.09570	13.3
419.36148	2.7
421.08871	5.6
423.09363	32.4
427.10065	4.1
429.11859	63.4
435.10690	3.0
439.10266	3.4
441.10297	42.6
447.10809	41.7
459.10623	10.7
465.11700	16.7
477.11682	14.6
483.12769	25.0
489.11362	7.2
495.12906	30.1
507.12552	14.5
525.14008	19.5
543.14801	22.8
561.16052	4.1
561.25189	76.2
561.33826	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	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
53.04242	0.4
53.66852	0.4
55.05510	5.5
57.07072	16.0
61.02912	0.7
65.03954	0.6
67.05502	0.9
69.03416	1.5
71.04993	0.5
71.58830	1.0
73.06538	1.3
81.03409	1.9
81.07040	1.1
83.08617	0.6
85.02902	3.2
87.00814	1.3
87.04471	0.4
91.05463	1.6
92.71407	0.4
93.07050	0.6
97.02888	2.0
99.04429	0.5
105.01867	0.7
105.99574	0.5
106.50691	0.4
107.04981	0.5
109.02874	1.3
109.06539	0.5
117.06997	0.6
119.08588	1.1
121.02872	2.2
127.03902	2.0
129.07060	0.5
131.08517	0.5
145.10103	0.7
147.08044	0.5
149.02339	100.0
150.02675	1.6
159.02895	0.6
161.05983	1.5
167.03372	2.4
175.07532	3.3
190.04973	0.7
203.07039	6.9
205.08611	6.7
221.08041	1.3
244.59634	0.5
271.17044	0.6
277.14352	31.8
295.15485	1.1
363.21524	1.2
560.32111	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
56.33533	0.5
57.03416	1.3
59.04961	0.4
61.02922	1.0
62.30196	0.4
65.70458	0.5
67.05499	0.9
69.03429	4.2
70.06580	0.9
71.59027	0.7
73.02905	1.0
76.08435	0.5
79.09900	0.4
81.03404	1.5
85.02899	6.9
87.04459	1.2
92.95966	0.4
93.07075	0.4
95.04931	0.5
97.02895	3.3
97.06514	0.5
99.04452	0.6
105.07082	0.5
109.02867	0.7
123.04449	0.7
126.65405	0.4
127.03899	1.8
134.04610	7.4
145.04984	0.7
148.07474	0.6
149.56487	0.5
152.05708	1.3
158.07149	0.7
165.02303	5.6
167.02611	1.0
168.06467	0.5
175.09770	0.9
181.05453	1.2
182.04959	100.0
183.05229	1.0
185.08281	0.7
190.03058	0.6
192.03369	0.5
194.04927	4.0
198.09053	0.5
199.08635	0.7
200.09282	1.8
201.09984	0.5
205.05452	4.2
213.10345	0.6
216.04721	2.6
219.07054	1.0
221.08485	1.0
224.05981	1.1
225.10408	0.5
227.11824	0.7
229.09776	0.5
231.06985	10.9
248.09651	26.2
249.09802	0.6
254.43648	0.5
255.11279	1.8
266.10703	58.6
267.10971	1.1
269.12955	0.7
287.13998	1.1
297.12494	0.8
301.11835	0.9
303.13464	0.6
314.09271	1.5
315.13388	9.5
344.09958	0.5
380.13931	1.1
398.14966	9.2
398.78989	0.5
428.15988	44.7
429.16129	0.7
438.20538	0.6
456.21198	0.5
467.12064	0.6
498.22479	2.0
542.21356	4.6
543.19873	0.5
558.29590	0.6
560.20148	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.4
55.05499	30.2
56.38187	6.0
57.03419	13.8
57.80923	6.7
67.05505	100.0
69.07053	23.9
79.05498	86.9
81.03426	14.5
81.07056	98.4
83.05001	8.6
91.05476	57.4
93.07039	84.3
95.04958	26.1
95.08595	47.1
97.06547	9.9
105.07028	49.8
106.45705	6.2
107.04979	13.8
107.08593	41.8
109.10138	21.7
117.07030	19.5
119.08581	38.6
121.06489	8.6
121.10126	16.1
123.11685	10.9
129.06985	11.9
131.08582	22.6
133.10126	18.2
135.11697	22.3
141.97005	7.2
145.10132	14.8
147.11665	45.0
149.13211	9.7
157.10095	7.0
159.11708	10.2
161.09613	7.3
161.13293	13.3
166.30939	8.5
169.10237	8.6
171.11674	26.4
173.13252	10.3
183.11734	8.6
189.12689	7.7
190.74556	6.5
207.13887	14.9
261.22162	19.1
279.15918	10.9
281.17407	39.1
298.66669	7.3
335.25748	22.2
517.28387	6.9
541.39050	50.2
542.38159	7.7
559.38391	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	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.8
53.03944	8.4
55.01867	11.5
55.05511	47.4
57.03431	7.1
57.07066	5.4
58.50893	1.5
59.05008	2.1
61.19948	1.6
65.03940	5.1
67.05503	73.9
69.03426	6.4
69.07062	32.9
71.01344	2.4
71.04986	5.7
74.88954	1.4
79.05493	65.1
81.03416	6.9
81.07056	84.0
83.04970	10.0
83.08613	22.6
85.06542	4.8
91.05482	53.8
93.07043	70.7
93.07635	3.5
95.04979	16.2
95.08604	49.0
96.95534	1.8
97.02879	8.5
97.06525	9.4
97.10167	22.8
97.88078	1.8
99.00819	8.0
99.08106	2.7
103.05508	2.5
105.07032	48.5
107.04967	9.9
107.08601	44.3
109.02865	9.5
109.05861	1.7
109.06497	8.5
109.10156	19.2
109.12167	1.7
111.04444	3.0
111.08067	5.2
113.05994	2.1
115.03965	2.9
117.07015	17.5
119.04935	2.2
119.08575	34.3
119.09350	2.7
121.06514	5.3
121.10144	24.6
123.08080	3.7
123.11716	6.3
125.09607	13.6
128.06250	2.5
129.07010	7.6
131.08554	25.3
133.06471	3.7
133.10121	37.7
133.11078	2.5
135.08063	7.7
135.11681	17.4
137.09616	2.8
141.06990	2.4
143.08546	11.6
145.06459	2.1
145.10114	14.8
147.08031	2.5
147.11667	10.0
149.09613	3.2
149.13254	12.7
151.11211	7.7
153.09120	2.1
155.08569	4.7
156.08202	1.8
157.10104	11.1
159.08037	2.2
159.11699	16.2
161.09642	15.0
161.13300	8.2
163.11188	3.8
163.14917	3.0
169.10141	5.7
171.08087	3.7
171.11693	7.2
173.09613	3.7
173.13307	8.7
175.11224	3.9
175.14893	2.5
179.10678	8.5
181.10143	4.6
181.12201	3.5
183.11736	5.7
185.13269	8.7
187.14844	5.7
189.09140	7.5
189.11069	9.1
195.11763	3.8
195.13866	3.7
196.52757	1.7
197.11737	2.1
197.13307	3.8
199.14909	3.5
199.91199	1.7
207.10109	2.9
209.13300	3.2
211.14923	3.5
215.14566	1.9
221.13248	2.4
223.13319	5.6
225.11229	11.9
225.16476	2.6
227.12759	7.5
229.68631	2.0
241.19472	2.2
243.21150	2.7
259.20630	5.3
261.22131	10.7
271.20648	2.0
273.18530	9.4
277.21802	2.5
281.13931	9.4
283.15207	2.1
287.23657	5.4
289.21796	2.4
291.19543	46.7
297.22189	3.1
299.19928	2.6
315.23221	18.8
403.30707	2.3
421.31165	5.5
431.29288	4.3
439.32074	6.5
449.30563	7.8
457.33191	4.7
467.31595	22.6
485.32547	12.1
513.35657	17.9
515.37256	4.2
523.34186	3.9
531.36670	13.4
541.35162	40.4
559.36298	100.0
560.36554	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.7
55.01862	15.8
55.05511	72.8
57.03425	14.6
57.07052	5.2
65.03922	6.3
67.05502	85.5
69.03419	10.6
69.07064	44.7
70.94156	10.3
71.04984	8.3
79.05064	5.7
79.05492	88.3
81.02982	5.0
81.03417	65.0
81.07052	100.0
83.04961	16.8
83.08613	31.3
85.06522	7.2
87.61880	3.6
91.04964	6.2
91.05476	69.1
93.07034	59.1
95.04954	33.7
95.08599	50.8
97.06514	14.3
97.10169	36.0
103.05514	4.7
105.07031	71.8
107.04929	22.2
107.08590	52.6
109.06503	17.4
109.10136	29.5
111.08054	10.9
112.58613	3.3
116.15569	3.3
117.07011	27.6
117.13780	3.5
119.08585	52.6
121.06468	7.2
121.10136	22.0
121.28921	3.7
123.08030	7.1
123.11671	20.1
125.09628	31.5
128.06213	4.2
129.07021	32.2
131.04903	4.8
131.08568	42.0
133.06499	10.6
133.10114	41.3
135.08031	17.0
135.11679	16.9
137.09628	7.0
141.06970	7.5
143.08514	13.5
145.06497	11.1
145.10124	37.8
147.08043	10.7
147.11656	30.2
149.09581	13.7
149.13278	6.1
153.09035	4.9
155.08540	9.0
157.10097	19.9
159.08078	8.3
159.11682	17.0
161.09665	6.5
161.13213	5.8
163.11096	19.7
165.12715	7.9
169.10089	8.6
171.11682	13.0
173.09630	6.1
173.13188	8.1
175.11159	11.3
177.12929	4.6
179.14365	5.8
183.11714	8.4
185.13257	6.8
187.11185	14.0
187.13315	4.2
187.14781	5.5
189.11201	21.6
189.12752	7.2
193.12239	20.0
195.11674	8.8
197.13217	7.8
199.14824	5.4
209.13306	4.4
211.11404	4.6
213.12875	5.6
219.13914	4.4
227.12747	22.6
243.16037	5.0
257.19037	7.9
267.15936	27.2
273.18600	4.7
275.20038	52.6
293.21112	9.0
297.22113	7.0
299.19952	22.9
313.21768	4.7
315.23212	12.1
317.21011	11.8
349.23541	14.6
355.22806	4.8
373.23639	11.9
421.30994	5.6
431.28650	4.0
449.30484	19.0
467.31421	18.8
485.32571	11.5
523.34094	10.2
541.35321	57.8
544.11646	4.3
559.36395	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78741	1.2
54.88711	1.1
57.03428	1.4
58.88908	1.2
64.29117	1.2
65.57191	1.0
67.05503	2.1
69.03436	3.3
70.06594	1.3
71.59084	2.0
79.05483	1.3
79.70847	1.0
81.03426	3.0
81.07067	2.8
83.01342	1.1
83.04995	1.3
85.02927	3.6
91.05481	3.1
93.07078	2.3
97.06561	1.1
97.35441	1.0
105.07068	2.9
107.08571	2.2
109.02905	2.8
117.07060	1.2
119.04990	1.3
119.08592	1.7
120.12949	1.2
121.06528	1.2
123.04415	8.3
124.01048	1.0
127.03925	5.4
131.08528	1.5
133.10130	1.5
135.04431	2.4
137.05998	2.4
139.03972	1.5
145.10120	1.8
147.04410	1.4
147.11700	1.8
159.11780	1.5
163.03943	2.2
175.11253	1.4
177.05585	1.2
187.06143	1.6
193.12318	1.6
203.14304	1.0
207.42044	1.2
208.83063	1.2
255.06302	1.1
271.05862	1.5
283.06107	1.2
287.05450	1.8
293.11877	4.6
304.90945	1.1
379.24661	1.8
397.25635	100.0
398.26053	2.1
409.09314	2.2
559.30933	98.4
560.31250	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57240	0.7
52.79362	0.6
53.03931	2.5
54.60134	0.6
55.01865	2.1
55.05502	0.9
57.03441	1.0
61.02932	1.0
61.68043	0.7
67.05499	1.0
67.47820	0.7
68.99794	1.0
69.03429	5.7
69.07057	0.8
69.27543	1.7
69.27953	6.2
73.02917	1.0
79.05486	5.9
81.03410	4.5
81.07011	1.1
83.01321	0.9
85.02907	9.4
87.00826	2.3
91.05460	1.4
95.04965	1.3
95.08584	1.1
97.02884	3.0
99.04437	1.8
101.91268	0.8
103.05477	1.7
105.01854	2.2
105.07029	16.8
107.04933	2.9
109.02871	4.9
109.10180	0.7
117.01866	0.8
119.08536	0.9
121.06487	1.3
123.04420	2.0
127.03916	6.8
133.06491	65.2
134.06830	1.0
135.04410	66.3
145.04951	1.4
147.04501	0.9
149.06017	1.0
159.02956	1.4
159.04305	0.7
161.05995	2.8
187.07617	0.9
191.10667	100.0
192.11084	1.8
217.12225	1.0
231.04994	1.2
243.06555	0.7
253.08704	0.9
255.10158	8.1
311.16211	1.7
315.22937	0.8
363.12244	0.8
378.38315	0.9
467.13208	0.7
503.15515	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.5
65.87498	2.6
69.83549	2.7
71.33346	2.6
71.33667	4.1
79.72443	2.5
89.03910	6.3
91.05479	6.4
93.08857	2.9
109.23292	2.5
117.03386	6.4
118.06538	17.4
119.04961	4.9
122.88295	2.5
123.04397	7.0
126.09765	2.6
135.04411	10.3
140.91533	2.6
143.07327	4.2
144.08084	11.5
145.02864	9.2
146.06017	59.3
147.04424	18.6
147.13341	2.6
156.74451	2.6
159.09180	6.8
163.03917	62.6
164.04326	4.1
170.05998	7.1
180.39539	2.7
182.24350	2.7
187.03909	5.4
188.07072	100.0
205.09727	32.3
269.07837	3.0
273.02820	6.0
390.18967	3.2
407.07394	4.3
519.20483	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	557.602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.8
57.07077	29.9
61.15663	3.5
64.69305	3.5
64.90399	3.3
67.05503	40.6
69.07076	31.7
69.78174	11.3
69.78578	5.3
71.08643	33.0
79.05463	6.0
81.07058	72.1
83.08609	27.0
84.60188	3.1
85.10174	15.1
95.08607	100.0
97.10174	21.7
108.52558	3.4
109.10155	48.3
111.11723	18.9
115.71630	3.3
123.11736	25.8
125.13282	9.7
137.13216	9.8
139.14832	4.8
143.19298	3.1
151.14780	5.9
155.67015	3.0
157.18121	3.4
165.16408	3.4
260.47375	3.2
279.51486	3.2
286.92847	3.5
470.54666	3.6
557.53302	4.3
557.60370	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01862	5.6
55.05510	23.9
57.03424	8.6
57.07079	12.5
59.05011	2.2
65.03910	2.2
67.05503	51.3
67.83199	2.0
69.07075	15.5
71.04987	3.0
71.08627	8.0
79.05492	40.0
81.03410	7.2
81.07054	45.0
83.04980	5.7
83.08619	12.2
85.06542	4.6
88.90832	1.9
91.05483	40.2
92.67490	2.0
93.07050	38.2
95.04955	12.5
95.08605	35.9
97.06516	5.8
97.10152	9.3
98.98466	20.8
99.08109	2.1
100.50864	1.8
100.98820	2.9
105.07029	45.5
107.04934	5.8
107.08601	21.1
109.06510	5.3
109.10157	14.6
111.08059	3.7
117.07029	16.6
119.08576	30.8
121.06503	3.0
121.10161	12.4
123.08056	5.8
123.11694	2.5
125.09618	4.8
128.06210	6.5
129.06993	20.3
131.08563	28.4
133.06505	3.0
133.10129	16.7
135.08028	5.2
135.11739	10.8
137.06046	2.0
137.09616	2.6
141.06961	8.4
142.07784	5.7
143.08556	27.3
145.10117	27.8
147.08029	2.8
147.11681	16.9
149.02652	2.0
149.09648	3.6
149.13261	3.7
153.06982	2.3
154.07785	2.9
155.01050	21.3
155.08568	19.4
156.01349	3.2
157.01486	5.0
157.10150	18.6
159.07959	3.4
159.11702	21.0
161.13252	10.7
163.11203	3.0
167.08539	8.1
169.10152	25.0
171.08051	2.0
171.11722	23.6
173.09604	4.1
173.13264	9.0
175.11230	2.3
175.14847	5.8
177.12753	3.2
179.08559	4.9
181.10112	15.2
183.08101	1.9
183.11688	16.3
183.13135	2.7
185.09622	3.3
185.13300	11.1
187.11209	4.3
187.14835	5.0
189.11165	2.6
189.12674	2.2
193.10176	5.0
195.11696	11.0
197.13255	13.0
199.14824	8.6
201.16426	2.9
207.11780	2.9
209.13264	8.8
211.14806	10.5
213.16376	9.7
219.11739	3.0
221.13242	3.8
223.14896	3.9
233.13211	2.9
235.14796	2.7
237.16393	2.9
239.17960	3.0
239.23769	2.5
241.19547	6.8
247.16948	4.5
257.19107	2.6
259.20630	15.8
271.20712	2.0
279.15796	4.0
281.17484	10.0
297.22256	2.5
313.21664	2.7
313.27319	8.5
314.27698	4.5
315.27957	8.1
321.21738	2.6
325.21640	3.2
333.24356	3.6
335.23560	3.2
339.23398	3.1
419.32996	4.7
424.98718	2.1
429.31427	8.9
437.34250	16.1
447.32663	26.0
465.33670	30.6
483.34695	22.4
493.36115	2.8
501.35599	3.2
521.35681	8.5
529.38672	8.5
539.37323	100.0
540.37341	4.4
557.29376	5.2
557.38367	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	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.9
53.03941	4.1
53.68121	1.9
55.01845	3.2
55.05506	28.3
57.03443	11.3
57.07074	12.0
65.03940	6.5
67.05168	3.9
67.05507	51.1
69.03410	2.2
69.07068	20.1
69.81130	4.7
69.81534	12.7
71.04990	4.2
71.08624	6.5
76.99021	2.3
79.05490	41.4
81.03408	6.6
81.07051	55.4
83.04965	6.9
83.08623	14.5
85.06541	3.9
85.10191	4.5
91.05477	51.0
93.07040	39.0
95.04975	12.1
95.08611	35.9
97.06523	5.7
97.10172	7.4
98.20802	3.0
98.98469	20.7
103.05453	2.3
105.07031	40.8
107.04940	6.2
107.08599	21.5
109.06531	4.8
109.10160	18.2
110.10509	2.0
110.77114	2.0
111.08069	3.6
115.05466	2.8
117.07032	22.1
119.08566	29.8
121.06508	2.9
121.10168	13.8
123.08087	3.1
123.11687	2.0
125.09625	3.6
127.17043	2.1
128.06163	5.1
129.07005	19.8
130.07797	2.5
131.08563	36.5
133.10127	25.7
135.11679	10.5
141.07001	8.8
142.07745	6.1
143.08551	25.5
144.09306	2.4
145.06480	6.4
145.10121	30.6
147.08080	5.1
147.11685	19.0
149.13242	4.6
153.06972	3.7
154.07759	3.8
155.01048	19.3
155.08565	26.3
156.01401	6.3
157.01479	6.1
157.10106	22.2
159.08051	3.0
159.11674	19.5
161.13254	12.2
163.11160	3.9
165.07001	3.2
167.08566	8.6
168.09373	3.1
169.10112	28.4
171.11713	21.1
173.09634	3.8
173.13210	13.1
175.14769	4.2
179.08601	4.7
181.10143	19.1
182.10831	2.6
183.11693	20.0
185.13315	15.7
187.11183	4.6
187.14876	6.2
189.12762	2.8
193.10176	4.6
195.11684	12.1
197.13278	16.5
199.14876	11.1
201.12706	2.4
203.22318	2.1
207.11673	6.0
207.13680	4.5
209.13354	10.9
211.14767	12.0
213.12883	3.0
213.16368	12.8
221.13283	4.7
223.14799	7.1
225.16486	3.0
231.17487	2.5
235.14774	4.2
237.16336	5.8
239.18056	3.1
239.23611	2.3
241.19502	5.5
247.17081	3.3
251.17937	2.3
253.19633	2.9
255.43811	2.3
259.20450	12.0
275.20236	2.3
279.15936	6.4
281.17599	7.0
291.19720	3.1
309.21906	3.6
311.19958	2.3
313.21762	2.7
313.27377	8.4
314.27847	3.2
315.27924	9.7
323.23691	4.4
327.23145	3.0
333.24185	6.5
335.23877	3.6
339.23038	4.5
346.85168	2.5
347.24387	2.2
353.24673	2.9
355.85526	2.4
367.26547	3.0
419.33084	5.2
429.31702	6.2
437.34192	14.8
447.32645	28.5
465.33746	31.9
483.34872	15.3
501.35892	3.7
507.00568	2.9
521.36273	8.7
523.67883	2.4
529.38910	8.5
539.37329	100.0
540.37280	2.4
557.29858	4.6
557.38403	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	557.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.01880	11.3
55.05267	2.2
55.05513	33.3
57.03426	4.7
65.03926	2.8
65.51862	1.7
67.05505	48.9
67.45293	1.8
69.03429	8.1
69.07068	28.3
71.04990	2.7
71.59023	3.0
79.05496	41.4
81.03419	61.2
81.07057	35.2
83.04979	8.1
83.08620	20.9
85.06520	2.7
91.05482	40.1
93.07036	31.0
95.04971	31.4
95.08591	18.2
97.02898	7.8
97.06535	7.6
97.10180	26.7
99.08109	1.7
99.72691	1.6
103.05389	2.4
105.07033	27.4
107.04958	14.0
107.08599	25.4
109.06493	11.0
109.10144	12.2
111.08086	5.0
115.05417	2.4
117.07005	15.2
119.04917	2.7
119.08568	21.9
121.06499	12.4
121.10188	11.1
123.08054	3.8
123.11708	3.8
125.09616	18.2
129.07008	10.4
131.04947	2.7
131.08574	21.5
133.06485	10.8
133.10147	12.9
135.08052	7.3
135.11708	4.6
137.09642	3.4
139.07599	1.9
141.06979	3.6
142.07845	2.5
143.08580	8.0
145.06514	6.2
145.10129	13.8
147.08018	11.1
147.11687	9.5
149.09653	5.1
151.11208	2.6
153.09164	3.5
155.08563	3.5
157.10109	9.5
159.08070	5.6
159.11719	6.3
161.09624	5.5
163.11180	6.6
169.10117	3.6
171.08076	5.5
171.11694	4.0
173.09634	4.0
173.13261	3.1
175.11205	8.3
181.10138	2.3
183.11757	3.8
185.09705	2.6
187.11247	2.9
189.11224	11.2
193.12268	13.4
195.11623	2.1
197.13306	2.1
199.11209	3.3
201.12836	3.9
205.12230	2.8
211.11235	1.9
211.38931	2.2
217.12273	2.7
219.13828	11.7
223.13268	14.8
227.12714	11.7
227.81381	2.0
245.19054	2.5
249.14709	3.4
267.16071	2.8
273.18555	12.6
275.20081	3.2
291.19537	57.6
295.20398	2.3
311.19864	2.0
313.21729	15.3
315.19550	4.2
371.21893	2.0
389.23181	1.9
445.25870	5.3
447.28714	3.4
465.30112	7.8
483.31210	7.1
539.33771	25.2
557.34790	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2933
Annotation	Forskoditerpenoside C
Peak:m/z	Relative Intensity
50.94998	1.0
53.03944	2.2
54.28260	1.1
55.01886	2.9
55.05501	3.0
56.96577	2.2
57.03421	2.2
67.05502	3.9
68.15103	1.1
69.03436	7.1
69.07059	1.4
69.63177	7.5
69.80569	1.2
70.20756	1.3
73.02919	1.6
79.05501	5.8
79.45736	1.1
81.03423	5.6
81.07052	7.3
83.04956	1.5
85.02897	9.2
91.05486	3.1
93.07058	3.2
95.04963	4.3
95.08620	1.9
97.02889	7.0
97.06539	3.4
99.04462	1.8
105.07030	4.4
107.04958	2.8
107.08598	3.0
108.89912	1.2
109.02872	3.8
109.06532	3.1
111.08111	1.3
116.34805	1.2
117.07001	1.8
119.08554	2.7
121.06502	5.5
121.10162	2.9
123.04423	2.5
127.03925	5.2
131.04932	2.5
131.08578	2.4
133.10083	1.6
135.04448	1.5
135.08047	3.1
135.11732	2.0
137.05994	5.3
139.03909	1.4
141.01471	58.8
141.07030	1.5
142.01822	20.0
143.06960	1.2
145.02869	2.1
145.04967	2.5
145.06491	2.6
145.10147	5.3
147.08043	2.8
149.05971	2.0
155.08569	1.4
156.45644	1.1
159.11720	2.7
161.05980	1.2
161.09665	1.9
163.03911	1.6
163.07413	1.5
163.11186	6.1
167.06982	1.3
167.61626	1.2
170.33374	1.2
171.08034	1.3
173.09639	3.9
175.14500	2.0
177.05525	5.2
187.07581	3.1
187.11215	4.4
189.09142	3.4
191.10725	4.2
202.87704	1.2
213.09261	1.4
215.10730	4.4
219.13774	11.7
220.14113	11.8
229.12395	1.4
233.11775	3.6
241.78690	1.2
251.12866	1.7
278.64905	1.5
306.10196	2.7
349.16675	2.0
354.81354	1.3
359.14777	1.6
360.14926	3.6
365.23053	5.5
377.15988	4.8
378.16000	5.7
395.24048	100.0
396.24445	4.3
534.24615	1.4
557.29333	87.3
558.29669	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	557.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96866	1.1
53.03935	3.7
55.01870	8.4
55.05508	1.8
57.03424	4.3
59.05001	2.5
61.02929	2.6
67.05499	3.6
68.99774	2.9
69.03432	24.4
69.07064	8.5
69.26690	10.5
69.27110	2.2
71.01347	1.1
71.05003	1.5
73.02901	3.0
75.03039	1.0
79.05502	4.0
81.03416	11.9
81.07043	3.1
85.02904	33.8
87.00829	15.3
87.04457	1.8
91.05486	3.2
93.03402	1.3
93.07034	2.5
95.04977	2.4
95.08602	3.1
97.02892	17.0
99.04458	4.8
104.63696	0.9
105.01860	10.8
105.07052	5.3
107.04960	8.4
107.08633	1.5
109.02880	10.9
109.06494	1.8
109.10126	1.4
115.03933	13.2
115.05492	1.5
117.01866	2.2
117.07007	1.1
119.04940	2.2
119.08569	2.9
120.68071	0.9
121.06478	2.3
127.03916	16.7
128.06216	3.9
129.01837	3.4
129.06970	2.6
131.04938	3.3
131.08565	2.9
133.06512	5.2
133.10129	2.2
135.04407	1.1
141.07010	1.5
142.07787	1.6
143.08543	7.1
145.05002	5.4
145.06432	5.1
145.10130	2.9
147.02942	1.8
147.04395	4.8
147.08018	1.9
156.41870	1.1
157.06470	1.9
159.02893	6.9
159.04233	1.8
159.08038	4.5
159.11682	1.2
160.05080	1.5
161.06007	12.7
161.09644	7.0
163.11131	1.2
169.06482	1.8
171.08047	4.1
173.05962	6.4
173.09705	1.1
174.06735	6.1
177.05487	1.6
179.08617	1.3
182.07341	1.2
183.08078	1.2
185.06039	2.2
185.09625	1.3
187.07562	11.9
187.11113	2.6
189.05522	2.9
189.09108	90.2
197.09630	2.7
200.08255	1.7
201.04019	1.7
201.09082	1.3
207.08063	1.4
209.09619	1.1
211.07605	1.6
213.09145	5.2
215.10681	24.6
225.09109	3.2
227.10703	2.9
229.12259	1.2
231.04976	3.5
231.10100	5.2
235.07651	1.4
239.07149	1.3
239.10851	1.2
240.07721	2.4
245.11731	26.5
253.08609	16.9
254.09302	1.4
255.10225	2.8
257.11716	8.0
269.11536	1.1
277.08707	1.3
281.11789	6.9
309.14844	100.0
310.15167	1.1
321.14877	2.0
333.14896	2.9
351.15897	5.5
367.29041	1.2
375.15613	2.4
539.18378	1.1
557.28766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61961	0.3
53.03938	2.1
55.01874	2.0
55.05496	0.4
57.03434	1.8
61.02910	1.3
67.05499	0.7
68.99768	1.3
69.03428	11.6
69.07050	0.5
71.04982	1.3
71.25462	0.3
71.59090	0.4
73.02908	1.8
78.24301	0.4
79.05487	1.7
81.03416	9.8
81.07045	1.0
83.01330	0.5
83.04973	0.3
83.21049	0.3
85.02902	22.7
87.00826	7.0
91.05477	3.9
93.07011	1.1
95.04977	0.9
95.08577	0.6
97.02892	5.5
97.06541	0.5
99.04451	3.7
101.02373	0.3
103.03925	0.9
103.05464	0.6
105.01855	4.8
105.07020	4.3
107.04943	1.2
107.08582	0.9
109.02877	8.7
109.06456	0.6
109.10139	0.4
115.03884	0.5
117.01816	0.6
117.06963	1.0
119.04953	0.7
119.08562	2.4
121.06497	0.6
121.10091	0.4
122.03197	0.3
127.03914	17.4
128.06219	2.0
129.01842	1.7
129.06935	0.6
131.04907	0.5
131.08594	0.7
132.05673	0.4
133.06487	6.5
133.10123	1.7
135.04396	1.6
137.05997	1.1
142.07838	0.3
143.08565	2.9
145.04950	4.4
145.06483	1.4
145.10129	0.8
146.07271	0.5
147.02925	1.4
147.04399	12.7
147.08037	24.8
149.05920	0.5
151.07526	0.7
153.06905	0.4
157.09975	0.3
159.02907	4.9
159.11725	0.5
161.05949	1.4
161.09598	3.2
163.11148	0.4
169.10225	0.4
171.08049	7.0
173.06000	1.0
173.09610	1.1
174.06723	1.5
175.07564	0.4
177.05402	0.5
185.09569	0.5
187.07587	0.4
187.11230	0.6
189.09097	100.0
190.09396	0.9
197.09615	0.9
199.07433	0.4
201.09138	0.4
213.03992	0.6
213.09106	2.3
215.10670	5.1
227.10672	0.5
229.12231	0.6
231.04985	2.8
231.10117	2.7
239.10695	0.5
255.10037	2.0
257.11758	1.0
281.11710	0.8
295.13208	0.9
297.11066	1.0
307.13315	1.2
309.11346	0.5
309.14828	5.3
321.14777	0.7
323.12704	0.8
333.14694	1.5
348.01031	0.3
351.15854	1.1
357.88147	0.3
369.79919	0.4
375.15839	1.3
395.24097	0.7
399.15762	0.7
401.12271	1.4
421.09348	1.2
437.14337	0.5
521.18182	0.4
557.20355	0.6
557.28668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32671	0.6
53.03944	1.3
55.01853	1.9
57.03421	1.8
61.02920	1.6
63.42286	0.6
67.05492	1.1
68.99795	1.3
69.03082	0.8
69.03429	11.8
69.34414	6.5
71.04990	1.1
73.02887	1.3
79.05492	1.5
81.03414	7.9
81.07050	2.2
83.04971	0.8
85.02901	20.5
86.09638	0.8
87.00817	7.3
91.03927	0.8
91.05475	3.4
91.97609	0.6
92.02280	0.6
92.11357	0.6
93.07040	1.8
93.58096	0.6
93.91735	0.6
95.04962	1.0
95.08637	1.0
97.02892	5.1
99.04413	3.8
102.02258	0.7
103.03944	1.0
103.05426	0.7
105.01890	4.9
105.07029	4.0
107.04926	1.7
109.02876	10.5
109.06503	0.7
111.49118	0.6
115.05438	0.8
117.01801	0.8
117.07019	1.2
119.04919	0.9
119.08595	3.3
119.87636	0.6
127.03916	14.7
128.06230	1.5
129.01852	1.4
131.08577	0.7
133.06502	6.3
133.10141	1.8
135.04410	1.4
137.05908	0.9
138.39659	0.6
143.08574	3.6
145.04968	3.7
145.06506	1.7
145.14499	0.6
146.07225	0.7
147.02911	1.3
147.03128	1.0
147.04410	12.4
147.08040	23.2
159.02893	4.5
161.05962	1.2
161.09586	2.9
171.08064	7.6
174.06750	0.8
185.13139	0.8
189.09105	100.0
190.09517	0.7
197.09669	0.9
199.07597	0.6
213.09143	1.8
215.10724	4.3
231.05067	2.2
231.10138	2.3
253.08456	1.4
255.10132	1.6
307.13098	0.9
309.14835	5.9
311.09390	0.7
333.14713	1.7
333.70380	0.7
375.15482	0.7
395.23996	1.1
401.11896	0.7
421.09680	1.1
468.35693	0.7
479.62881	0.7
513.23029	5.1
551.48633	0.7
557.21674	6.3
557.31464	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	557.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
53.72530	0.9
55.01869	1.4
55.05524	0.7
57.03430	1.4
61.02898	1.2
64.12851	0.8
64.18293	0.8
67.05497	1.6
68.99770	1.1
69.03426	4.9
69.07070	1.8
73.02926	0.9
77.36623	0.7
79.05469	2.2
81.03432	5.7
81.07064	4.0
85.02907	7.8
87.00828	1.2
91.05492	3.9
93.07037	1.2
95.04941	1.6
95.08606	1.5
97.02914	3.8
97.06519	1.1
99.04443	2.2
105.01852	1.5
105.07024	5.2
107.04945	2.8
107.08586	1.8
109.02863	3.1
109.06481	1.0
109.10072	0.7
119.04921	2.3
119.08570	2.8
123.04457	1.1
127.03906	5.5
128.06248	1.0
129.01874	1.3
131.08566	0.8
133.06470	3.4
133.10103	2.2
135.04370	4.0
137.05949	1.5
138.25821	0.7
142.18019	0.7
143.08548	2.3
145.04997	1.5
145.06453	1.6
145.10101	2.0
147.04417	13.1
147.08054	20.1
157.10156	1.2
159.02925	2.2
159.08063	1.4
159.11658	1.7
161.05940	2.3
161.09660	4.1
163.03912	2.1
171.08064	6.5
173.06026	1.9
173.09628	1.9
174.06769	2.0
175.07503	0.9
177.05481	2.9
185.09502	0.9
187.07602	1.6
187.11153	1.4
189.09113	100.0
190.09343	1.0
191.10704	1.4
199.07512	0.9
211.07660	1.0
213.09119	3.4
215.10612	4.0
227.10777	1.0
231.10188	2.6
233.11664	1.2
255.10153	5.1
257.11728	0.9
281.11768	0.9
297.11261	1.9
309.11386	1.0
309.14868	18.7
323.12830	1.0
333.14822	1.7
338.66058	0.8
375.15518	0.8
389.32166	0.9
395.16608	1.2
395.24014	8.0
401.12137	2.3
437.14304	1.0
539.20941	1.0
557.29071	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	557.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01869	3.1
55.05498	1.2
57.03435	1.8
57.25795	0.6
61.02916	1.2
67.05505	1.2
68.99783	1.3
69.03429	12.0
69.07053	0.9
70.04573	3.5
71.04970	1.6
73.02898	1.6
79.05487	1.5
79.79264	0.6
81.03423	9.1
81.07043	2.2
83.04956	1.0
83.08622	0.6
85.02904	24.5
87.00832	7.6
91.03949	0.6
91.05492	4.8
93.07001	1.7
95.04941	1.4
95.08644	0.8
95.12891	0.6
97.02879	6.9
98.20863	0.9
99.04454	4.9
103.03932	1.2
105.01859	5.5
105.07023	6.1
107.04950	2.6
109.02882	10.3
109.10133	0.8
117.07048	1.6
119.04966	1.9
119.08551	3.2
121.06474	0.9
123.04369	0.8
127.03912	19.3
127.07428	0.6
128.06219	2.4
129.01817	1.7
131.04950	0.7
131.08542	1.0
132.05621	0.7
133.06487	7.6
133.10120	1.6
135.04422	1.0
135.11728	0.7
135.84271	0.6
137.06026	1.4
143.08562	3.2
145.02806	0.9
145.04948	5.6
145.06454	1.9
145.10124	1.3
147.02884	1.2
147.04422	14.4
147.08041	27.1
159.02911	4.6
159.07951	0.7
161.05994	1.6
161.09607	4.3
163.03780	0.9
163.11218	1.4
167.07036	0.7
167.74828	0.6
171.08047	6.9
173.05952	1.9
173.09575	0.9
174.06746	1.3
175.07491	0.7
177.05481	1.6
187.07619	0.9
187.11183	1.4
189.09103	100.0
190.09430	1.2
199.07527	0.9
213.09099	2.3
215.10692	5.3
229.12148	0.8
231.04939	3.5
231.10155	3.2
255.10187	1.6
257.11597	1.7
295.13443	0.8
307.12854	1.0
309.14920	5.0
333.14847	1.9
351.15939	1.4
375.15689	1.4
395.23715	0.9
401.12326	1.0
419.13458	0.6
437.14612	0.8
465.19061	0.8
494.60489	0.7
557.29132	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	557.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	4.1
57.03432	2.1
61.02923	3.5
69.03432	9.4
69.30048	18.0
73.02923	1.8
81.03406	2.8
82.99864	2.5
85.02899	20.7
89.03918	2.0
95.01953	2.0
97.02895	10.3
97.79238	1.7
98.97591	7.3
99.04433	2.7
101.00875	11.2
109.02888	3.6
110.01231	2.0
110.97598	2.6
113.00893	3.0
116.98610	6.6
117.04066	2.0
119.01922	52.9
127.02404	2.0
127.03907	10.8
128.98643	1.7
131.01904	23.2
134.99664	3.3
137.02974	13.5
141.03839	2.4
142.03448	2.6
143.01900	24.4
145.03497	40.1
145.04950	3.3
146.99672	3.5
147.01294	1.9
149.02954	6.8
149.04042	1.7
153.03963	2.5
155.01895	14.9
157.03517	8.6
158.99730	3.0
159.05037	10.0
161.01453	2.9
161.02951	45.6
161.59596	1.9
163.04440	13.9
167.01955	8.8
167.07069	4.9
169.03458	29.6
171.05046	14.8
173.02959	30.6
175.04555	6.5
177.00706	6.7
177.05707	2.6
179.01955	2.2
181.03514	4.4
183.05037	2.5
184.04497	2.8
185.02959	46.8
186.02231	6.0
187.04517	68.8
189.00815	4.1
189.02438	9.4
189.06151	2.0
191.03964	5.7
193.03508	2.9
195.01472	2.1
197.02948	23.2
199.04482	15.0
200.04482	3.2
201.00705	5.1
202.25676	1.8
203.04018	19.2
209.03008	2.3
210.06134	4.0
211.04430	10.7
213.02434	6.2
213.06195	3.0
215.03975	22.7
215.05789	2.9
217.05463	2.5
219.01779	4.4
221.03020	4.5
221.05080	2.3
223.04477	3.1
227.04065	9.4
229.05637	6.5
231.03487	18.3
233.01398	1.8
237.02785	8.4
243.03633	2.9
245.05072	100.0
246.05275	3.9
255.03738	2.8
257.01196	2.3
257.05188	5.7
261.02777	5.5
263.06122	11.8
267.06985	2.6
271.06638	11.8
275.02530	31.1
275.06128	52.1
275.08896	3.4
279.03769	2.2
281.07062	6.7
283.50290	1.8
287.02512	16.5
287.06049	4.8
287.08871	2.9
293.03528	17.1
293.07141	9.2
305.03577	12.3
305.07272	11.9
311.04596	3.0
315.05515	2.6
316.08588	2.2
335.04559	16.3
335.08182	6.3
341.03574	3.9
359.04547	12.6
365.09357	6.8
377.05554	27.3
377.09735	2.5
395.06741	38.5
437.09070	3.2
539.11017	4.9
557.11505	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	556.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09156	0.3
52.64710	0.3
53.03945	0.5
55.01866	0.4
55.05500	1.2
57.03410	0.3
59.35232	0.2
61.02908	1.1
63.02370	0.7
69.03431	2.4
69.90069	1.5
73.02901	0.4
73.06531	0.3
79.05486	0.4
81.03404	0.9
85.02907	7.0
91.03885	0.3
91.05484	1.5
93.07051	0.6
97.02898	2.7
99.04449	0.3
105.07066	0.7
107.04962	1.2
107.08597	0.4
107.09302	0.3
109.02882	0.8
113.01963	0.5
114.31208	0.3
117.06998	0.5
119.04951	1.0
119.08587	0.3
121.05904	0.2
121.06519	2.4
127.03842	1.1
131.04959	2.8
133.06477	2.1
135.08072	1.5
141.01465	100.0
142.01837	1.4
143.08551	0.4
145.04979	1.0
145.06453	1.5
145.10138	0.9
146.07288	0.3
147.08047	1.1
149.05968	2.3
149.09631	2.0
157.09428	0.3
158.07280	0.5
159.02567	0.8
159.08049	0.9
161.09583	0.8
163.11147	0.6
165.09134	0.5
167.67819	0.3
172.08815	0.4
173.09619	2.5
175.11165	1.7
177.09109	2.2
189.09137	0.4
189.12740	0.3
190.09856	0.4
191.10646	1.3
201.12724	1.3
203.06870	0.5
209.20892	0.3
219.13795	28.9
220.14175	0.5
233.07739	1.0
243.06248	0.8
245.07657	0.4
275.55884	0.3
277.10431	0.8
305.09802	5.1
305.13025	0.4
331.14948	0.9
334.67105	0.3
359.14542	6.8
377.15588	8.2
387.13943	0.5
468.67386	0.3
578.97888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
65.32783	0.4
67.05499	1.4
67.31308	0.4
69.07072	0.7
70.39783	0.4
71.59098	0.6
77.76888	0.4
79.05463	1.1
81.03439	0.6
81.07037	2.0
83.08592	0.4
91.05454	1.1
93.07014	0.9
95.04946	0.5
95.08585	0.6
97.10127	0.5
97.57162	0.4
105.07068	0.6
107.08621	0.5
112.90859	0.3
119.08594	1.5
121.10126	0.5
129.07022	0.5
131.08638	0.6
133.03499	0.5
145.06534	0.4
145.10217	0.5
187.07719	0.5
203.05295	0.8
259.07962	0.6
301.20248	0.5
319.21243	1.3
337.22339	1.5
361.22427	0.4
393.26044	0.8
537.30212	0.9
537.50897	0.5
555.31396	100.0
556.31940	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05295	0.6
55.05506	5.9
57.03435	6.4
57.06792	1.5
57.07075	27.7
67.05501	9.5
69.07065	5.2
70.05568	1.7
70.05962	1.8
71.04958	1.0
71.08630	21.1
79.05487	1.5
81.03428	7.0
81.07051	12.1
82.30753	0.6
83.08627	7.1
85.02853	0.7
85.09711	1.1
85.10176	11.5
92.72249	0.6
93.07030	0.8
95.08603	18.7
97.10166	3.5
98.21406	0.8
98.98462	76.5
99.04443	1.5
99.11723	1.0
103.07556	0.7
109.02880	5.0
109.10153	7.7
109.90152	0.7
111.11697	1.0
116.99496	3.0
118.08121	0.8
123.11707	2.9
127.03973	1.3
129.20715	0.6
137.13196	0.8
140.01048	0.7
145.99402	0.7
155.01036	100.0
173.02040	1.3
239.23697	10.3
243.02734	1.1
313.27359	63.0
317.06345	6.0
383.28079	1.2
393.24020	5.5
401.29028	4.0
483.80011	0.8
537.28082	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	555.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
54.09648	0.1
55.01860	0.6
56.90507	0.2
57.03422	0.3
63.97617	0.2
68.99759	0.2
69.03423	2.9
69.52177	0.9
69.52595	0.5
71.04984	0.4
73.02892	0.5
79.05454	0.4
81.03419	2.8
85.02905	4.8
85.34492	0.2
87.00829	1.2
91.05478	4.6
93.07018	0.5
95.04958	0.2
97.02902	1.5
98.19230	0.2
98.21718	0.2
99.04460	0.9
102.77383	0.2
103.03881	0.3
103.05457	0.3
105.01870	1.4
105.07022	1.2
107.04948	0.8
107.27091	0.2
108.71111	0.2
109.02869	2.4
115.05430	1.2
116.06239	1.7
117.06978	0.4
127.03915	4.9
128.06241	0.3
129.01848	0.3
129.07002	1.6
131.04935	0.4
131.08556	4.0
133.05470	0.3
133.06487	5.9
141.07002	1.4
144.05698	2.0
145.04979	1.3
145.06447	0.5
147.02827	0.3
147.04413	0.4
157.06474	0.2
157.83725	0.2
158.07242	0.3
159.02890	1.4
159.04402	2.9
159.08052	4.0
172.05161	1.2
177.05453	0.3
185.09622	0.4
187.07538	100.0
188.07898	2.0
189.03981	0.3
201.09109	0.7
211.07602	0.2
213.09161	1.3
229.08604	1.0
231.05089	0.9
307.13257	2.8
314.89255	0.2
319.13019	0.2
322.72345	0.2
349.14090	0.7
537.01038	0.2
555.18188	0.5
555.27582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02374	0.3
53.03944	1.5
55.01869	0.8
55.05508	2.6
56.05030	0.3
57.03429	0.6
57.05811	0.2
58.06598	13.0
61.02921	0.8
68.99788	0.5
69.03427	3.2
69.69576	0.1
71.04984	0.4
71.46337	0.2
72.08154	7.2
73.02912	0.8
73.04039	1.9
73.06551	1.8
77.02890	0.1
77.03915	0.5
78.04710	0.3
79.05493	2.7
81.03416	5.2
81.07026	0.2
84.04505	0.2
84.08168	0.1
85.02901	6.9
86.02435	0.6
87.00827	4.0
91.03902	0.2
95.04968	2.4
97.02888	5.4
97.03518	0.3
98.06048	0.3
99.04456	1.9
105.01865	2.9
105.04509	0.3
106.06551	100.0
107.06889	0.4
109.02874	6.1
115.08691	1.7
116.07087	37.9
117.01874	0.5
120.04500	0.2
120.65809	0.1
123.04462	0.2
127.03910	8.0
127.08670	0.5
128.03433	0.2
129.01826	0.4
134.06006	5.4
134.08138	0.2
135.68774	0.1
137.05951	0.2
145.04950	2.0
147.02869	0.3
149.07077	0.3
157.13393	0.3
158.08163	0.2
159.02888	1.8
169.13397	0.2
177.03941	0.2
180.10129	0.1
191.11790	4.6
192.07666	4.1
210.69682	0.1
213.03903	1.0
231.05002	1.9
234.12363	24.4
246.12280	0.2
270.96240	0.1
288.17084	0.5
306.18112	22.1
498.62332	0.1
525.35437	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	554.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34604	0.4
51.02375	0.7
52.23341	0.3
53.03949	2.1
54.09559	0.4
55.01863	1.1
55.05513	3.0
56.05049	0.3
57.03426	0.7
58.06601	14.5
61.02922	0.8
68.99760	0.4
69.03425	3.5
69.38367	1.7
69.38799	1.6
71.04984	0.9
72.08161	7.4
73.02916	0.8
73.04037	2.4
73.06565	2.0
77.03883	0.4
79.05503	2.7
81.03414	4.7
81.07056	0.3
85.02904	7.0
86.02428	0.8
87.00832	3.9
87.04453	0.4
93.07051	0.4
95.04979	2.0
97.02890	5.5
98.20722	0.6
99.04457	2.0
105.01862	3.1
105.07021	0.6
106.06554	100.0
107.06898	0.5
109.02886	6.7
115.08691	1.8
116.07094	40.7
117.01897	0.5
120.04510	0.7
123.76514	0.3
127.03922	7.7
127.08656	0.5
129.01866	0.5
134.06012	5.8
143.52882	0.3
145.04953	1.9
147.02884	0.4
157.13315	0.6
159.02939	1.3
169.66592	0.3
191.11803	4.9
192.07687	4.8
196.56651	0.3
213.03918	1.0
231.05055	2.3
234.12366	27.0
288.16989	0.6
299.51520	0.4
306.18124	26.2
333.68854	0.3
536.28168	0.4
554.26990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03135	0.3
51.02379	0.6
53.03946	2.3
55.01852	1.2
55.05510	3.1
56.68891	0.3
57.03419	0.7
58.06599	15.4
61.02922	0.8
69.03435	2.6
70.72836	1.3
70.93824	0.4
71.04987	0.8
72.08153	7.2
73.02908	0.8
73.04032	2.2
73.06551	2.2
74.43109	0.5
79.05488	3.1
81.03416	4.7
83.60683	0.4
85.02901	6.9
86.02412	0.6
87.00827	4.4
95.04974	2.4
97.02898	5.3
99.04466	1.9
105.01855	3.4
105.04511	0.4
106.06552	100.0
107.06875	0.6
109.02875	6.8
115.08671	1.8
116.07088	39.9
117.01906	0.4
127.03912	6.8
127.08678	0.5
129.01837	0.4
130.04967	0.3
134.06017	6.2
145.04939	1.8
159.02856	1.8
191.11816	4.6
192.07703	4.7
201.10835	0.4
213.03908	0.6
222.73470	0.3
231.04997	2.2
234.12363	28.7
266.59296	0.4
306.18112	25.4
307.18246	0.5
338.03534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01642	1.7
64.31850	1.3
66.00871	1.3
70.04663	7.3
80.04749	1.2
80.07127	1.2
81.03179	1.5
82.03944	2.2
83.01086	8.8
84.01858	3.0
85.02917	1.4
95.01084	14.9
95.08652	1.2
96.01880	5.6
97.02654	4.0
108.04255	10.6
111.00555	2.8
112.01346	6.6
113.02119	18.8
126.02905	3.7
128.04718	29.5
137.06024	2.2
138.05293	2.0
139.03612	2.6
141.01570	2.0
141.05232	2.7
156.03920	2.2
156.07854	3.7
157.04729	4.5
167.03178	1.5
177.86302	1.3
185.04178	19.7
185.05545	1.5
201.03683	23.8
202.04402	6.5
210.08606	1.9
213.09970	44.2
214.10837	3.2
242.74828	1.4
244.09540	1.4
248.05223	1.9
256.92352	1.3
257.09958	2.2
277.09802	59.2
278.81750	1.2
281.50778	1.4
290.09772	5.1
300.10532	94.9
301.11166	2.6
302.12283	2.0
333.10275	1.7
341.16840	13.8
357.16318	25.9
359.12424	1.5
433.19452	1.9
490.21518	2.9
491.22012	1.5
504.62469	1.5
505.75864	1.4
539.11707	1.5
554.21399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29102	0.7
61.80916	0.7
67.05499	1.5
69.07049	0.7
70.42921	2.0
70.43318	1.7
76.01384	0.7
76.07842	0.8
81.07039	1.2
95.08586	1.4
105.07020	1.0
109.10147	1.1
142.72812	0.8
185.04237	2.1
259.07996	0.8
275.07645	1.3
288.40366	1.0
304.13519	1.0
304.55264	0.9
317.19778	1.6
331.10031	3.1
345.11563	0.9
415.19440	1.2
483.21945	2.5
553.29791	100.0
554.30188	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.35736	0.5
54.94584	0.5
61.68267	0.5
65.46623	0.5
67.05503	2.0
71.58853	0.9
79.05502	0.8
81.07063	1.1
93.07017	0.7
105.35923	0.6
107.54315	0.5
109.10182	0.8
121.10181	0.6
131.08583	0.8
259.08105	0.9
269.13651	1.9
269.22372	0.5
335.20804	1.5
391.24487	1.9
481.27579	0.7
515.72235	0.6
517.98737	0.6
553.29816	100.0
554.29907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.22829	0.5
55.05516	0.5
62.32195	0.5
63.57586	0.5
66.50413	0.4
67.05500	0.8
70.34663	1.8
70.35011	0.5
77.28261	0.5
81.07016	0.5
82.45814	0.5
83.01079	1.1
86.15031	0.4
93.70026	0.5
95.01071	1.1
95.01934	0.6
131.01877	0.7
133.03496	1.0
144.28593	0.6
183.43126	0.5
185.04318	0.8
201.03761	1.3
203.05289	1.9
259.07999	1.5
299.18729	0.8
317.19736	1.8
331.10059	2.2
335.20709	2.4
401.17670	0.7
415.19495	0.9
441.20740	0.5
455.22830	0.6
483.21918	1.3
510.21323	0.5
553.29846	100.0
554.29974	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01871	1.1
57.03425	0.9
61.02923	1.2
65.03915	1.1
67.05473	2.4
68.99787	3.0
69.03420	4.1
69.77463	0.6
70.06587	2.1
70.89388	0.6
71.12143	1.6
73.02916	1.1
81.03413	4.7
81.07053	1.7
83.04980	1.2
85.02909	5.9
87.00822	2.3
91.05470	1.9
93.03394	1.3
93.06998	0.9
94.04201	0.7
95.04964	2.3
95.08581	1.0
97.02885	3.4
98.06049	0.9
99.04412	1.3
100.19881	0.8
105.01854	2.5
107.04964	0.8
109.02864	2.9
110.65490	0.7
111.04438	2.4
111.38747	0.9
119.04935	2.3
119.08586	1.0
122.02851	0.9
122.03654	3.0
122.06042	0.8
124.07565	1.0
127.03938	4.5
133.06459	0.7
133.10086	0.9
134.32135	0.7
135.04399	1.4
137.05975	74.0
139.03897	100.0
140.06984	0.9
140.39310	0.6
143.04951	1.2
144.04822	0.8
145.04945	2.1
147.04410	21.3
149.05968	1.7
151.03893	1.5
151.11142	1.0
153.05482	0.8
159.02849	0.9
161.05974	2.6
162.05490	2.9
162.06744	0.8
163.03909	10.8
163.05855	1.6
164.05913	1.0
175.03925	1.4
175.07533	1.9
176.04585	2.1
177.03255	1.5
177.05437	2.8
179.07030	6.7
181.04984	3.3
197.60043	0.8
201.05516	1.1
203.06972	1.2
205.04958	5.4
208.07280	1.3
221.08141	2.1
224.11234	0.7
229.14374	1.3
247.05984	1.4
287.09094	6.5
287.14301	0.9
303.13422	1.8
304.13708	1.2
305.10220	15.8
305.13644	1.2
311.09155	1.4
329.10077	2.1
346.22134	1.2
347.22388	1.2
395.11212	1.0
412.68127	0.9
509.28030	1.0
553.19568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01867	1.3
55.05506	1.8
57.03437	3.4
57.07069	2.6
61.02933	1.3
67.05503	3.8
69.03427	17.0
69.07061	5.1
69.31595	6.5
69.32020	2.7
71.05002	1.6
73.02909	1.4
79.05487	9.1
81.03411	6.9
81.07056	100.0
82.07376	0.9
83.04988	2.1
85.02904	22.5
87.00827	7.3
87.04473	3.9
91.03941	0.9
91.05505	1.2
93.07036	0.9
95.04973	1.5
95.08050	1.8
95.08608	18.5
97.02892	20.4
99.04440	4.3
105.01868	15.2
105.06998	0.9
107.08608	1.1
109.02883	7.5
109.10142	1.3
111.04440	1.8
115.03928	7.8
119.08609	0.8
123.04456	0.8
127.03917	15.5
131.04910	1.0
133.04947	4.5
135.11757	1.0
136.06183	1.6
137.06004	1.4
137.13252	20.0
139.03920	2.2
145.04935	8.8
150.07658	3.1
159.02919	2.9
165.01831	0.9
165.05421	1.3
177.05450	2.3
189.03954	1.0
201.05522	1.0
205.04984	1.4
213.03915	2.4
223.05957	2.2
231.04941	5.3
234.13666	1.2
241.07175	2.9
243.06569	2.5
249.06134	3.3
281.43170	0.9
298.78674	0.8
301.09091	1.2
309.05905	1.1
327.07098	3.9
345.08173	6.9
363.09222	2.4
372.24615	0.9
522.10217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
55.01876	5.4
55.05508	9.5
55.16215	1.6
56.05031	9.0
58.99586	15.2
67.05499	5.5
68.05029	4.8
69.03429	2.9
69.61826	3.7
69.62245	7.6
70.02944	7.2
70.06631	1.3
72.04503	4.4
72.28071	1.4
72.84120	1.3
74.00646	10.4
75.02703	1.6
76.02229	18.5
76.03999	8.2
79.05472	4.6
80.05019	13.4
81.03412	6.6
81.05795	5.1
81.07057	4.8
82.06560	3.4
83.01399	1.8
83.04958	2.2
83.06107	8.1
83.08631	4.0
84.04505	58.6
85.01130	40.8
85.01640	2.0
85.02911	5.5
85.04022	4.8
86.00646	40.2
86.99049	66.2
87.02711	2.9
88.02221	4.1
91.05478	4.7
92.01746	1.7
93.07051	3.7
95.08564	2.5
96.04523	3.3
97.01120	9.1
97.10165	5.3
98.00631	4.7
99.01413	3.0
99.05575	2.4
100.02221	8.2
102.03770	22.6
102.05550	16.9
105.06997	2.0
107.04968	2.5
107.06072	1.9
107.08615	2.5
109.02859	2.6
109.05276	1.7
109.07656	4.9
110.06078	1.6
111.99855	1.3
112.02180	29.5
112.03983	3.3
113.00609	4.7
114.00134	2.2
114.03754	19.2
114.05563	2.8
116.01679	26.5
119.08479	1.5
122.06057	1.5
124.02207	2.9
125.09639	4.3
126.03722	2.7
129.06636	5.5
130.03249	17.1
130.04987	21.8
131.04568	2.1
132.01149	2.0
137.05951	2.0
140.01666	3.2
142.02113	2.8
142.03218	42.5
143.02730	34.6
144.01146	8.3
145.06143	4.7
145.10126	1.7
147.11711	1.7
152.01736	2.9
153.06635	2.9
154.26575	1.3
155.08194	4.5
156.06557	5.1
158.02750	6.3
161.06100	1.4
162.02211	7.9
163.11119	2.3
165.06877	1.4
168.04797	6.1
169.04291	7.2
170.02725	5.5
171.02307	5.9
177.03265	9.5
179.04845	12.6
181.06096	5.3
184.06055	1.9
185.03777	3.4
188.03758	5.2
189.03287	100.0
193.12283	3.0
196.04289	10.9
199.05406	4.9
199.07130	2.6
205.06401	12.3
211.13268	5.6
215.04848	46.3
217.06410	8.3
224.03822	3.9
227.04973	3.5
231.04323	2.6
233.05896	18.6
241.06403	2.6
245.05933	7.9
259.07446	2.4
266.12094	5.7
269.05902	2.4
284.13214	4.1
287.06973	17.9
299.07037	3.8
303.05066	6.3
304.05301	12.7
307.08386	1.9
320.15424	4.7
334.10657	1.9
345.07538	3.5
362.10187	5.3
371.16458	2.4
372.15451	1.6
387.15613	1.6
405.16919	14.1
423.18036	3.9
534.21118	4.4
552.22076	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	551.2827
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
51.21791	0.4
55.05495	0.6
58.40974	0.4
67.05485	1.2
69.48049	3.6
79.05469	0.5
81.07043	0.8
91.05480	0.6
98.20579	0.4
99.22047	0.4
105.07069	0.5
107.08574	0.4
123.04413	0.6
149.02258	0.5
193.05031	0.4
259.07968	1.0
333.19022	0.9
348.63443	0.4
349.19580	0.4
351.20227	0.5
389.23080	1.8
479.26300	0.6
551.28235	100.0
552.28369	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	551.3554
Annotation	Leu Lys Tyr Lys
Peak:m/z	Relative Intensity
65.56935	0.8
67.05495	1.7
69.43521	7.4
79.05504	0.8
81.07051	1.6
83.01067	0.9
86.86446	0.6
90.75043	0.6
93.07050	0.9
95.08582	1.1
111.04219	3.9
127.03648	4.5
147.70938	0.8
155.06737	1.1
164.12979	0.8
171.06291	3.4
185.07918	0.8
199.09451	3.0
215.08978	2.1
231.88008	0.8
268.71732	0.8
271.14999	1.0
287.14728	1.7
302.67484	0.8
385.73279	0.9
388.13293	0.8
425.21667	1.5
465.24387	5.3
551.35553	100.0
552.35931	3.9
558.09290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2121
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
53.03946	2.5
55.01870	7.0
55.05518	1.9
57.03426	1.4
61.02912	1.3
65.03926	1.2
67.05482	2.4
69.03429	6.6
69.07043	1.0
70.06613	1.4
71.04977	1.8
71.59458	1.7
73.02911	1.2
79.05476	4.5
81.03413	4.7
81.07060	2.9
84.08096	1.2
85.02904	10.4
87.04473	1.5
87.30601	0.9
89.03922	1.4
91.05471	5.5
93.07060	2.7
93.09851	1.1
94.04177	1.0
95.04964	3.7
95.08614	2.4
97.02914	5.8
99.04445	1.5
103.05481	7.9
105.07009	4.8
107.04947	9.0
107.08594	1.8
109.02899	2.2
109.10148	1.7
119.08585	1.2
121.06514	5.4
121.10151	1.3
122.03650	3.6
123.04434	6.5
125.05994	1.2
127.03941	2.0
128.06212	3.3
129.07027	14.4
131.04916	10.1
131.08533	3.8
133.06511	2.0
133.10120	1.3
135.04425	1.1
137.05980	29.9
140.04697	1.7
145.02829	1.9
145.06491	2.2
145.10101	1.5
147.04388	2.5
147.11699	1.4
149.05974	13.1
151.03912	2.2
151.07541	3.0
157.06494	14.0
157.10150	1.5
159.04414	3.2
159.08022	1.2
161.06020	5.6
163.03874	1.9
163.07518	7.1
163.11137	1.1
167.07048	60.3
171.06528	1.6
171.11722	1.1
173.06004	1.6
174.06750	4.4
175.07513	4.8
177.05478	27.5
179.06998	1.3
181.04965	15.6
181.08594	1.2
185.05977	3.0
187.07561	2.2
189.09131	15.9
191.06989	2.0
191.10698	2.5
193.08589	1.2
194.05713	1.2
199.07533	1.2
203.06956	1.3
203.08607	1.3
209.08124	5.4
211.14449	1.1
215.08609	1.2
217.08606	9.8
219.10117	2.2
233.09642	2.5
247.07616	1.3
249.09032	1.6
261.09097	3.3
263.10635	1.4
264.07938	1.1
277.08566	2.2
278.09381	1.3
279.10251	1.3
293.11621	3.1
297.11292	1.4
303.05185	5.3
307.09769	1.4
321.11288	2.6
322.12030	1.9
339.12198	2.2
353.13950	1.7
371.14905	100.0
372.15408	1.8
429.82953	1.1
447.16119	1.9
551.21490	1.9
551.30151	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	551.1033
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
53.03948	1.8
55.01653	0.2
55.01870	2.0
57.03433	1.7
61.02907	1.0
65.03951	0.2
67.05508	0.3
67.53821	0.2
68.99792	1.8
69.03426	6.9
69.97787	1.2
70.98546	0.3
71.04982	1.0
71.05322	0.2
73.02905	1.4
79.05489	0.3
81.03417	7.4
85.02904	12.8
87.00830	5.7
87.04450	0.3
91.03931	0.5
93.03425	0.4
93.07027	0.3
95.04972	0.5
97.02883	4.4
99.04462	2.8
105.01867	3.4
107.04957	0.6
109.02117	0.4
109.02879	7.2
111.00810	0.8
115.03892	0.3
117.01844	1.0
121.02872	0.6
123.04455	0.5
127.02975	0.4
127.03917	9.2
129.01846	1.1
129.06921	0.3
135.11685	0.2
135.74475	0.2
137.02332	3.6
137.05975	0.7
145.04964	3.3
147.02898	0.5
147.73944	0.3
149.02347	0.4
153.01823	4.3
155.04903	0.3
159.02899	4.5
159.04239	0.3
161.05969	0.7
163.03911	0.8
165.01852	2.1
167.07037	0.7
173.06020	0.5
181.04938	0.3
183.02908	1.1
183.04388	0.5
187.03935	0.2
201.05458	2.7
205.05037	0.4
219.06534	0.3
228.04230	0.3
229.04968	5.1
231.05003	1.5
247.05995	0.9
257.04459	2.9
274.04684	0.8
275.05688	0.3
285.04004	1.6
303.04987	100.0
304.05405	1.3
336.30392	0.2
345.06046	0.4
371.14774	1.4
519.19122	0.3
551.20294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.2
53.03946	4.5
55.01874	1.8
55.05508	9.6
55.56947	0.9
57.03434	4.3
61.02924	1.8
65.03942	1.4
67.05515	2.4
69.03428	19.6
69.07072	3.2
69.36414	4.6
69.36849	4.4
73.02926	1.4
77.03916	1.3
79.05495	19.0
79.74843	1.0
81.03413	6.0
81.07049	5.1
83.04993	2.7
85.02903	22.9
85.03374	1.9
87.00829	7.1
87.04472	8.3
91.03963	1.2
91.04903	1.1
91.05481	30.0
93.07043	95.1
95.04967	10.1
97.02896	19.5
99.04481	3.7
105.01870	10.7
105.04506	1.9
105.07023	9.6
107.08593	100.0
109.02879	6.2
109.06534	5.0
111.04440	1.2
115.03934	10.5
117.07044	1.3
119.05994	1.1
119.08548	1.3
121.06536	1.1
121.10141	4.0
123.04377	1.2
127.03915	14.2
133.04947	8.0
133.10133	1.5
135.11696	44.5
135.12723	2.3
137.05998	1.5
139.03886	1.6
143.08658	1.1
145.04979	6.4
150.07622	9.0
151.04004	1.3
153.05569	1.1
159.02904	2.2
177.05510	1.6
177.12766	1.1
181.04974	1.2
189.03966	1.6
213.03917	1.2
215.05418	1.2
223.05988	1.3
231.05057	3.4
241.07013	2.3
249.05975	1.7
256.16876	1.4
279.77917	1.0
309.06216	1.4
327.07071	3.5
345.08270	3.1
531.40601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
55.01870	8.8
57.03429	12.3
61.02918	5.2
69.03431	75.5
70.06591	4.8
70.99400	4.6
70.99731	6.3
71.05007	6.7
72.08125	3.5
72.99415	3.3
73.02908	7.8
79.05516	4.2
81.03424	40.9
81.07044	3.9
83.04986	8.6
84.04496	9.7
84.08142	4.3
85.02908	85.7
86.09708	4.6
86.99076	7.5
87.00833	28.6
87.04467	14.6
91.03979	4.7
91.05479	5.0
93.07038	6.6
95.04956	5.0
97.02898	100.0
99.04455	24.5
105.01867	54.5
105.07051	6.2
107.08562	4.5
109.02878	27.7
111.04456	5.0
115.03917	22.5
117.01887	3.2
121.02857	12.4
123.04461	5.4
127.03922	61.1
129.05478	6.0
130.04970	3.9
131.04980	6.5
133.04947	5.9
137.05988	8.5
145.04979	41.8
151.03918	4.0
153.05428	16.8
159.02892	18.2
165.05562	3.9
167.07033	4.0
169.05016	6.1
177.05537	7.9
206.04381	4.3
213.03867	4.9
231.04907	16.8
241.07108	9.9
249.06039	5.7
289.31262	3.8
303.04999	11.6
327.07269	9.8
328.97668	4.0
345.08209	12.1
403.15448	4.8
480.25784	3.7
485.81778	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	549.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01868	6.1
55.05503	0.7
57.03449	3.0
61.02920	3.3
67.05505	4.8
68.99787	3.0
69.03427	20.3
69.07059	1.4
70.13657	3.2
71.01348	0.9
71.04987	2.8
73.02923	5.3
79.05491	5.2
81.03417	18.2
81.07051	5.2
83.05000	1.0
85.02904	49.7
87.00828	17.5
87.04481	1.0
91.05470	6.5
93.06473	1.3
93.07045	23.3
95.04962	5.2
95.08619	2.2
97.02892	19.8
97.06541	0.7
99.04459	8.9
103.03933	2.4
103.05493	1.0
105.01865	15.6
105.07027	21.6
107.04951	100.0
107.08595	3.9
108.05267	0.8
109.02883	18.4
109.06519	6.8
109.10152	2.9
115.03928	1.0
115.05424	1.1
117.01847	1.9
117.06995	1.1
119.08559	2.2
121.06509	2.3
121.10138	1.3
123.08099	1.4
123.11747	1.6
127.03915	38.9
128.06216	0.8
129.01843	2.5
129.06995	1.7
131.04922	1.7
131.08577	2.8
133.06491	77.5
133.10130	21.6
134.06850	0.7
137.09537	1.0
137.55777	0.6
138.27290	0.7
143.08539	1.1
145.04961	19.4
145.10135	2.2
147.02890	2.8
147.08087	1.6
149.05966	2.4
149.13261	0.7
151.11183	71.7
152.11513	1.1
157.06522	7.3
159.02885	12.2
159.04123	1.1
159.08076	0.7
159.11708	2.3
163.11232	0.7
165.06917	0.6
171.08067	1.1
171.11752	1.1
173.05946	2.0
175.07567	1.7
177.03998	0.9
177.12775	5.6
181.04901	1.0
183.08087	1.0
189.03922	8.1
189.12779	2.5
195.08064	0.8
199.07536	1.8
199.11292	0.8
209.09615	4.1
213.03922	2.6
217.08643	3.2
227.10699	2.1
231.05023	9.8
241.08580	0.8
249.06007	1.6
259.09769	1.0
265.15875	5.6
283.16922	49.8
284.17233	0.9
301.17984	20.8
325.18164	1.3
345.09756	0.8
348.89893	0.6
531.22247	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01865	6.2
55.05502	3.2
57.03428	3.1
57.21642	1.0
61.02913	3.5
63.74153	1.1
67.05502	5.5
68.99783	2.8
69.03429	20.0
69.07055	3.3
70.57297	4.1
71.04990	2.8
73.02910	3.9
79.05472	6.1
81.03414	19.2
81.07053	5.5
83.04977	1.6
85.02904	46.8
87.00816	15.8
91.05477	6.6
93.07053	18.2
93.28313	1.1
95.04967	6.1
95.08596	3.4
97.02892	17.1
97.06573	1.4
99.04467	6.6
103.03942	2.9
103.05449	4.6
105.01859	16.1
105.07025	24.2
107.04955	100.0
107.08599	3.1
109.02874	18.7
109.06509	4.3
109.10152	4.6
115.05444	3.3
115.92837	1.2
116.98618	1.2
117.07015	2.5
119.08593	2.3
121.06522	3.8
121.10103	1.7
123.04431	3.3
123.08087	1.1
127.03918	39.5
129.01836	3.2
129.07011	2.0
131.04945	4.4
131.08540	3.5
132.46397	1.1
133.06491	82.9
133.10115	16.2
134.06834	1.2
135.08105	1.5
135.11719	1.7
137.05937	5.4
140.16454	1.0
143.08618	2.3
145.04942	18.1
145.06487	2.7
145.10124	3.8
147.02847	2.0
147.04364	2.5
147.08089	2.6
149.05991	2.0
151.03874	1.2
151.11176	56.3
157.06494	7.5
157.10104	1.4
159.02911	12.5
159.08014	1.8
159.11665	3.0
161.05977	2.7
163.03914	1.5
163.07559	11.3
165.05479	2.4
173.06033	2.5
175.07536	2.3
177.05426	2.5
177.12721	4.0
181.04886	1.7
181.08606	2.6
184.75035	1.1
189.02403	1.2
189.03957	6.0
189.12749	4.1
191.03435	1.5
191.07016	1.5
195.07988	1.7
199.07474	1.8
209.09642	4.7
213.03960	2.9
217.08670	2.6
221.48576	1.3
225.12733	2.1
227.10660	4.0
231.04956	9.7
241.08739	1.9
249.05968	1.3
265.15918	6.0
283.16913	59.7
301.17966	22.7
327.08752	1.2
408.04556	1.3
517.18799	6.6
531.22302	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74138	0.8
53.03946	1.3
55.01869	1.8
56.15098	0.6
58.84280	0.8
65.03929	1.8
67.05506	2.5
69.03428	1.2
69.89174	5.0
75.04474	1.3
79.05490	2.5
81.03426	3.2
81.07069	1.4
85.02931	1.2
91.05481	5.5
93.03442	1.1
93.07038	1.2
94.04205	1.0
95.04977	5.2
102.04690	1.9
103.05473	20.9
105.03425	0.9
105.07038	4.8
107.04962	3.4
109.06529	2.2
110.03659	1.2
111.04438	2.3
115.05485	4.6
116.06252	1.1
117.07013	5.8
118.04178	1.5
119.04926	4.4
120.05762	1.1
121.06475	1.9
122.03636	4.9
123.04445	4.4
124.05206	0.9
125.06014	1.5
128.06252	1.2
129.07008	1.9
130.04167	2.6
131.04927	29.8
132.05675	1.1
133.06479	3.1
135.04440	2.0
135.08075	1.2
136.05228	2.0
137.02397	1.2
137.05978	54.9
139.03940	1.0
139.07587	1.1
141.05486	1.0
143.04912	1.7
144.05695	1.3
145.06485	8.6
147.04411	7.4
147.08029	1.6
148.05168	2.5
149.05991	2.5
149.09666	1.0
150.06750	1.3
151.03912	28.6
151.05014	2.0
151.07549	3.4
152.04643	1.2
152.08321	1.0
153.05464	4.9
154.06218	2.7
159.08136	1.6
160.05179	1.1
161.05934	7.1
162.06770	3.5
163.07542	7.3
165.05481	2.7
165.06873	0.9
165.09177	1.5
167.07082	4.9
173.06012	1.8
175.07518	5.2
176.08279	1.0
177.05510	3.5
177.09081	4.8
179.03447	1.1
181.04990	7.4
185.42734	1.0
187.07654	1.4
189.05510	1.8
189.09187	1.3
191.07034	23.9
191.10687	1.1
193.04886	1.1
193.08681	1.2
195.08086	1.4
201.05359	1.0
203.07025	2.0
205.06712	0.9
205.08655	3.0
216.82607	0.8
217.08699	0.9
221.08066	1.0
222.06801	2.2
223.07646	1.1
230.43867	0.9
233.08086	1.2
234.06720	0.9
237.09177	5.1
239.07129	0.9
241.08531	0.9
249.09114	1.2
253.08441	1.2
254.09421	1.2
265.08606	1.1
269.11768	4.5
277.08807	1.1
284.10403	2.5
285.11548	1.0
293.08069	0.9
295.09610	1.4
297.11206	2.9
309.10840	1.0
315.08588	1.0
327.12238	1.1
329.13797	2.0
337.10751	0.9
355.11758	2.4
387.14517	2.3
459.18021	1.1
517.18597	100.0
518.18982	4.3
549.20215	4.3
549.28369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.3
56.73243	2.7
57.03429	3.8
67.05505	27.5
69.07054	9.9
69.56290	17.4
79.05498	17.6
81.03448	3.3
81.07063	26.1
83.08614	4.4
91.05499	15.3
93.07045	21.2
95.04967	5.0
95.08620	21.8
97.06527	5.2
97.10137	4.5
98.20753	5.4
105.07039	13.9
107.08597	13.3
109.10155	11.7
112.29248	2.9
119.08561	8.4
121.10154	5.6
123.04432	3.7
125.09678	4.4
128.72720	3.3
133.10091	8.3
135.11717	3.7
145.10051	4.8
145.17311	2.8
147.11728	7.5
159.11697	3.5
161.13345	3.4
171.11710	4.5
229.14319	5.4
259.20483	4.8
277.21643	21.3
304.88965	3.5
331.46735	3.3
351.25290	100.0
366.86154	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	548.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78290	0.7
55.05496	2.5
58.06600	8.3
65.60754	0.7
70.84933	2.1
72.08157	6.3
73.04018	0.9
73.06536	3.4
79.05491	0.9
85.02895	2.2
95.04961	0.7
97.02896	0.8
106.06551	100.0
107.06890	1.3
115.08682	1.1
116.07088	36.1
127.03915	1.0
134.05997	0.9
157.13348	1.6
191.11830	1.4
192.07651	2.5
234.12357	23.2
286.53421	0.8
306.14578	1.6
306.18085	26.6
355.15677	0.7
386.30582	0.7
392.29453	0.9
512.99316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60028	3.2
51.16196	2.8
53.03947	6.6
55.01872	8.5
55.05511	58.7
55.39583	2.8
57.03434	18.0
57.07073	12.4
59.05000	3.3
65.03949	3.1
67.05504	100.0
68.45392	3.4
69.03433	7.0
69.07063	50.5
69.33711	18.1
69.34145	13.9
71.04987	9.8
71.08608	4.7
76.16039	2.8
79.05492	69.9
81.03413	45.3
81.07056	90.8
83.04983	10.8
83.08620	49.8
85.06530	6.9
89.06013	3.6
91.05479	56.8
91.06020	4.9
93.07042	70.3
94.07384	2.9
95.04972	47.6
95.08607	66.2
95.09174	5.5
97.06551	11.9
97.10156	30.6
99.08071	4.5
105.07034	39.3
107.04968	14.2
107.08601	42.2
109.06525	8.4
109.10159	38.7
111.08076	7.7
111.11742	4.0
117.07019	13.4
119.08571	36.8
121.06524	11.2
121.10133	29.1
123.08097	5.5
123.11713	12.3
125.09676	19.5
125.10408	3.7
129.07021	10.3
131.08598	27.3
133.10112	22.1
135.08025	6.2
135.11674	17.6
137.09633	5.2
137.96696	3.0
139.11157	3.2
143.08617	9.4
145.10098	20.2
147.08012	5.7
147.11688	19.4
149.09637	8.5
149.13263	4.5
151.11078	3.4
155.08484	5.6
155.51546	3.0
157.10168	15.1
159.11694	9.6
161.13329	9.6
163.11179	7.3
163.14851	4.8
169.10059	4.1
171.11688	6.4
175.11258	6.4
175.14767	3.6
183.11618	4.4
187.11357	3.5
187.13289	3.7
187.14883	4.3
189.11235	6.1
189.16310	6.4
193.12239	20.3
203.17929	3.4
211.55482	3.2
217.61418	3.5
227.12823	14.1
245.22676	7.3
249.15073	3.6
261.22021	4.2
263.23672	9.1
267.15945	41.5
275.19931	4.2
287.23672	5.9
289.21725	5.3
293.21112	6.8
301.25290	4.1
303.26608	15.5
337.27353	27.6
363.25638	3.9
437.34000	12.8
455.35165	24.1
460.21097	3.4
473.36359	16.5
503.11746	3.6
529.38831	83.1
547.39960	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06319	2.1
53.03930	4.6
55.01870	3.7
55.05515	30.8
57.03434	8.7
57.07074	5.1
62.52211	2.0
65.03940	5.6
67.05505	89.8
69.03426	5.6
69.07075	25.9
69.52708	1.9
71.04996	5.8
71.08630	2.3
79.05495	45.4
81.03419	51.0
81.07059	98.0
83.04958	11.1
83.08625	30.3
85.02911	24.3
85.06528	4.2
90.55766	2.5
91.05479	36.4
93.07049	37.5
95.04969	27.2
95.05936	2.1
95.08613	59.0
97.06516	9.0
97.10184	10.5
103.05484	2.1
105.07025	32.0
107.04956	4.6
107.08592	19.1
108.25436	1.9
109.06499	4.6
109.10168	25.0
111.04433	2.3
111.08090	15.5
117.07000	5.2
119.08590	27.2
121.10143	19.1
123.11703	13.5
125.09623	4.7
129.06998	10.5
131.08582	13.6
131.09416	1.9
133.10141	20.7
135.11697	8.5
137.13237	4.6
142.07794	3.3
143.08537	3.4
145.10121	7.3
147.11697	17.7
149.09619	4.2
149.13239	4.0
157.10109	12.3
159.11722	3.8
161.13330	2.9
163.11237	2.9
163.14909	3.6
165.12703	2.8
168.91154	2.2
173.13293	3.1
175.11211	13.1
175.14821	4.9
193.12245	51.8
211.13297	51.3
227.12770	2.6
245.22569	3.2
263.23642	4.7
267.15952	7.2
331.15424	2.2
337.27344	6.8
455.35095	6.4
465.18506	2.2
473.36160	2.3
529.38971	19.7
547.40479	100.0
548.40149	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	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
54.50080	3.8
55.05512	31.4
57.03430	7.8
67.05505	84.6
68.03049	3.7
68.14105	3.8
69.07071	24.8
69.52231	30.7
71.04999	5.4
79.05489	50.3
81.03423	7.6
81.07052	100.0
83.04963	6.4
83.08616	16.1
91.05483	40.3
93.07045	50.1
94.61082	4.0
95.04978	9.8
95.08612	58.0
95.80713	4.1
97.06506	5.2
97.10181	16.2
98.20715	4.0
99.08043	3.6
105.07048	24.6
107.04945	5.2
107.08596	26.7
108.36335	3.2
109.10159	26.2
111.08096	5.1
111.11771	5.2
117.07025	10.9
119.08581	25.9
121.06554	5.5
121.10131	27.6
123.11715	15.6
129.07034	6.9
131.08565	17.3
132.30312	4.7
133.10144	13.0
135.11713	13.4
137.13268	4.7
145.10161	8.6
147.11647	25.8
149.13261	13.2
151.59306	4.3
157.10129	7.7
159.11679	9.5
161.13281	9.3
163.14754	3.7
165.12718	8.9
171.11694	4.7
173.13268	6.1
175.14839	4.3
185.13376	6.0
193.12390	4.9
214.30345	4.2
227.12878	4.4
231.01559	4.2
245.22487	4.2
261.22165	10.0
263.23767	6.1
267.15921	15.2
269.17316	8.3
322.43271	4.0
335.25912	11.7
337.27206	6.2
362.41452	4.0
367.60254	4.2
407.45566	4.0
409.35007	4.1
412.40341	4.0
419.33551	4.4
433.45587	4.1
437.33997	6.3
441.64474	4.0
455.35303	16.1
473.36456	7.1
529.38879	46.0
547.39496	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01874	5.5
55.05258	3.9
55.05513	46.3
57.03434	12.6
57.07069	11.5
59.04977	2.4
59.92302	1.9
65.03941	4.0
66.80771	2.2
67.05506	86.0
69.03428	3.9
69.07072	46.4
71.04992	6.5
71.08640	5.2
74.27032	2.1
79.05495	54.3
81.03423	40.7
81.07059	100.0
83.04987	7.7
83.08622	33.6
85.06548	5.5
85.10195	4.0
91.05480	44.9
91.06021	3.7
93.07050	56.6
95.04973	39.6
95.08609	64.8
97.02878	3.0
97.06518	11.7
97.10165	24.0
99.08083	3.0
105.07031	36.6
105.07680	3.0
106.62769	2.7
107.04996	9.5
107.08593	33.3
109.06539	7.9
109.10156	35.8
111.08109	4.9
113.07487	2.3
117.07022	11.6
119.08593	32.5
121.06551	10.1
121.10133	26.0
123.04493	2.7
123.08092	6.7
123.11712	11.7
125.09629	15.6
129.07054	10.3
131.08585	26.4
133.06503	4.8
133.09184	3.8
133.10132	23.2
135.08105	7.4
135.11687	16.2
137.09637	4.3
137.13243	4.3
141.07082	3.2
142.07870	3.8
143.06706	2.7
143.08621	9.8
145.10115	17.7
147.08167	4.6
147.11693	14.8
149.09631	4.9
149.13313	6.6
153.12773	2.5
155.08553	3.5
157.10162	13.3
159.11761	7.3
161.09622	4.3
161.13286	7.0
163.11220	7.8
163.14874	6.9
165.12827	4.2
167.49463	2.1
169.10191	4.1
171.11749	5.9
173.13284	4.3
175.11301	4.8
175.14932	4.7
177.12723	2.5
177.16441	3.0
183.11768	3.0
185.13350	3.7
187.14915	4.4
189.11276	7.5
189.16454	5.9
193.12251	22.5
195.34944	2.4
199.14919	2.7
201.16563	4.5
205.12347	3.4
209.13441	2.5
211.13303	4.4
221.13327	3.6
227.12956	8.4
229.66901	2.9
237.16777	2.6
241.17938	5.0
245.22758	5.7
249.15039	4.8
263.23779	9.7
267.15945	33.6
287.23874	2.5
289.21719	6.8
303.23441	4.4
303.26996	15.0
337.27365	34.0
341.28815	2.7
437.34271	9.4
455.35147	29.0
473.36276	17.3
502.42340	2.8
511.37946	4.4
529.38873	66.0
529.46912	3.2
547.40033	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01858	9.4
55.05511	51.9
55.05777	3.0
57.03421	11.7
57.07064	10.6
61.14907	3.2
63.42544	3.3
67.05506	100.0
69.03411	6.3
69.07063	37.6
69.62220	11.1
69.62640	13.4
71.04993	19.7
71.08639	4.3
79.05490	61.1
81.03413	34.0
81.07058	99.4
83.04980	10.2
83.08625	35.1
91.05488	44.1
93.07042	60.3
93.83732	3.5
95.04976	39.3
95.08053	4.6
95.08611	60.2
97.06535	9.0
97.10177	27.3
98.21490	6.8
99.08026	3.2
105.07034	34.1
107.04948	11.9
107.08595	33.3
109.06474	4.7
109.10160	43.1
111.08086	6.5
111.11691	3.9
117.07010	12.7
119.08585	31.9
121.06510	6.5
121.10146	24.7
123.08062	5.9
123.11708	9.5
125.09603	14.1
129.06976	9.2
131.08569	18.5
133.10136	17.3
135.08000	4.4
135.11678	17.6
137.09625	10.4
137.13272	4.0
143.08521	5.3
144.20432	3.1
145.10152	18.2
147.08025	7.1
147.11679	11.3
149.09561	3.6
149.13252	9.3
153.12775	3.5
155.08580	4.9
157.10126	12.5
159.11685	7.9
161.09665	4.0
161.13263	5.9
163.11165	11.2
163.14822	4.1
169.10205	4.1
173.13319	3.8
175.11243	5.7
175.14751	4.4
177.12769	3.4
181.12286	3.9
183.11583	3.1
187.14822	3.4
189.11241	9.8
189.16493	3.4
193.12325	15.5
193.13843	3.3
199.15007	3.8
227.12750	19.8
245.22583	4.7
263.23703	8.3
267.15906	34.7
289.21576	5.3
303.26767	10.6
337.27441	27.3
435.27484	3.7
437.34253	9.2
455.35205	25.2
472.22495	3.9
473.36136	14.8
503.37378	7.1
529.38788	75.2
547.40485	81.9
567.79688	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	547.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01871	10.2
57.03434	4.1
57.31178	1.9
58.06595	2.1
61.02925	5.6
62.55125	2.2
67.05500	4.2
68.05840	2.5
68.99795	2.7
69.03425	25.1
69.07063	3.2
70.06585	2.9
71.05003	3.1
71.58896	3.5
73.02915	5.0
75.24529	2.4
77.29673	2.1
79.05491	12.4
81.03411	23.2
81.07061	4.9
83.05002	3.7
85.02905	64.5
86.49706	2.4
87.00829	19.9
91.05481	16.6
93.07043	14.0
95.04969	5.5
95.08615	4.6
97.02904	22.2
99.04452	9.4
101.31921	2.3
102.17728	2.2
103.03979	7.9
103.05441	3.8
105.01869	17.7
105.07030	27.4
107.04960	100.0
107.08585	10.8
109.02875	20.0
109.06431	2.4
114.12815	43.2
115.05467	3.9
116.06307	2.3
117.07027	2.9
121.06525	22.0
121.10098	3.5
123.04417	3.3
127.03925	37.0
129.07034	3.8
131.04942	2.9
131.08578	19.1
133.06500	86.6
135.08064	7.5
137.06027	3.0
145.04939	16.6
145.06467	8.6
146.84793	2.4
147.02901	3.7
147.08073	7.9
149.09628	51.8
157.06500	12.8
159.02899	10.6
159.08029	6.1
159.11723	2.6
161.09633	3.5
163.07532	4.0
167.06995	3.7
173.05910	3.8
173.09682	4.9
175.11185	8.1
183.07994	2.8
185.09641	2.8
187.11154	9.3
189.03906	8.6
191.03384	3.1
197.09555	2.8
198.23369	2.5
207.06479	3.2
217.08539	3.9
226.76747	2.6
231.05031	6.6
253.15746	5.2
255.13795	14.8
263.14316	4.6
281.15369	31.5
299.16449	9.7
547.26782	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	547.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55984	1.5
55.01865	9.6
55.05502	2.0
63.42130	1.6
65.03934	9.0
67.05500	4.6
69.07075	3.6
70.62489	1.7
71.58984	2.7
73.07274	1.7
79.05500	5.3
81.07065	4.9
85.02895	2.5
89.03922	2.8
91.05486	9.5
93.07029	2.2
94.04216	3.1
95.01337	2.1
95.04975	5.7
95.08633	2.1
103.05451	5.5
105.07051	6.6
106.04124	2.0
107.04960	6.2
110.03651	9.6
111.04445	12.4
115.05452	6.7
116.26004	1.6
117.07029	5.5
119.04933	2.9
121.02859	3.5
121.06512	3.6
123.04417	5.9
125.05116	1.7
125.05980	8.7
125.22450	1.9
130.04140	4.0
131.04958	5.6
133.06482	6.7
134.03658	3.3
135.04445	3.3
137.05972	4.2
143.04869	2.3
144.05649	2.8
145.06470	17.7
147.04375	10.3
148.06212	1.8
149.02419	2.3
149.05988	42.5
151.07549	2.7
153.05463	27.1
159.04434	2.3
160.05217	2.9
161.05994	15.8
162.03096	4.0
162.06792	4.8
163.03783	2.6
165.07014	2.6
167.07066	16.3
175.07559	4.6
177.05484	26.8
178.07764	4.2
179.08549	2.6
181.05029	2.1
181.06499	5.7
187.07497	2.3
189.07039	2.7
189.12810	1.8
193.06427	1.9
194.07320	4.1
195.08037	2.5
201.05493	4.0
203.06970	2.4
205.04990	21.8
205.06570	4.3
206.07257	4.4
207.08078	5.7
209.05960	2.5
217.06587	2.1
218.07314	4.0
219.08028	2.9
220.05249	3.3
221.06004	4.9
221.09741	2.1
222.06776	2.8
223.07581	3.5
224.08392	5.6
233.05948	3.4
234.06754	7.5
235.07541	8.6
236.08295	3.7
237.09203	2.8
247.07536	6.1
248.08366	5.1
249.09019	5.6
250.06256	2.5
251.07042	7.7
252.07848	9.8
253.08588	5.3
259.07648	2.4
261.09192	2.0
262.06143	5.1
263.06992	8.7
264.07800	7.4
265.08627	6.8
266.05493	2.6
266.09384	2.9
267.06427	1.8
267.10129	6.4
269.08029	4.0
275.07239	1.8
276.07748	2.9
277.05377	1.9
277.08624	6.5
279.06464	4.8
279.10068	3.6
280.07346	4.5
281.08072	7.3
287.06998	3.0
288.07993	2.2
289.08582	2.0
291.06665	2.3
291.10089	2.9
292.07245	5.3
293.08047	5.0
293.11517	2.0
294.08789	4.7
295.09668	13.2
297.07513	2.0
299.12787	2.4
303.10071	5.5
304.07239	1.9
305.08096	6.1
307.09448	3.7
309.07584	3.4
309.11038	3.4
311.09091	2.6
319.09702	5.9
321.11288	4.1
322.12299	2.7
323.09152	60.5
323.12949	3.6
324.09628	6.3
327.12225	4.2
334.11975	5.9
335.09079	3.7
336.09943	3.2
337.10883	11.0
339.12271	4.6
352.12979	7.6
355.11743	100.0
367.11801	10.2
381.11746	1.8
385.12830	2.1
511.17599	4.0
515.16925	11.2
547.25293	36.3
547.34357	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	546.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
57.03439	6.5
59.05001	100.0
69.03429	2.1
70.06601	1.6
71.38830	0.6
71.59366	1.1
71.59766	0.7
73.02906	0.6
77.06068	0.7
79.05499	0.8
81.03425	1.2
81.07054	0.8
85.02906	3.9
86.09725	0.8
91.05507	0.9
95.08615	0.8
97.02345	0.7
97.02924	2.0
97.06570	0.9
99.08105	1.9
101.09669	1.2
102.63259	0.6
105.07041	0.7
107.04971	2.5
107.08503	0.7
108.05338	1.0
109.02895	1.3
114.12801	1.4
115.05462	0.8
115.07581	1.5
117.09131	40.6
119.04920	0.6
127.03919	1.6
135.10178	2.2
160.18291	0.7
167.07097	0.7
175.03979	1.0
175.13307	18.6
191.07060	0.9
192.07439	0.7
193.14407	1.6
233.17502	4.8
234.28769	0.7
251.18608	2.7
284.94229	0.6
298.11493	1.3
309.22882	0.9
367.26883	16.1
546.33405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.09949	0.3
55.05264	0.5
55.05509	7.4
56.05033	14.0
57.03430	0.7
57.07080	0.4
58.06588	0.5
62.99075	0.3
67.05484	0.6
69.00894	0.7
69.57675	2.2
69.99310	3.7
70.06576	1.1
71.04977	0.7
72.08145	1.0
73.06542	0.7
80.49961	0.3
82.06569	0.5
82.70106	0.3
84.04499	1.5
84.08143	10.5
85.02894	0.9
86.09705	2.9
87.01450	0.5
87.01952	7.1
94.04192	0.4
97.07673	0.4
98.06055	7.5
98.21498	0.5
99.01934	0.9
99.04446	1.4
112.11202	0.3
115.08684	0.8
120.04488	2.0
121.05248	7.5
121.06109	0.5
122.06024	22.5
127.07713	0.6
127.08677	20.4
141.06584	100.0
142.06972	0.5
142.66708	0.3
145.10179	0.3
147.05524	0.9
157.13365	4.2
164.10727	1.2
169.13362	23.7
206.04478	0.3
213.91835	0.3
262.11816	1.5
272.26025	0.3
284.11279	5.2
304.16492	0.8
384.15811	0.8
424.17145	6.8
432.61539	0.3
466.21838	30.1
467.22098	0.9
546.21155	32.5
547.21570	0.8
552.92743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58698	0.3
53.03951	1.5
55.01869	0.6
55.05473	0.3
56.05014	0.5
57.03429	0.7
58.59805	0.3
59.04995	0.3
60.01643	0.3
61.02903	1.1
67.05531	0.3
68.05014	0.7
69.00910	0.3
69.03432	4.0
69.99307	1.1
70.06588	3.1
71.04995	2.8
71.59536	0.6
72.08138	1.1
73.02925	0.4
79.05492	0.3
81.03417	1.4
83.01360	0.4
84.04524	1.4
84.08135	0.7
85.02908	9.3
86.09679	0.8
87.01945	0.8
87.04459	0.9
89.06049	2.0
91.03928	0.4
91.05447	0.3
95.04977	0.4
95.84523	0.3
96.03904	0.6
96.04491	9.2
97.02902	4.1
99.04443	1.0
100.07635	0.7
104.04951	0.7
105.05801	1.5
106.06563	4.0
107.04948	3.8
108.05283	1.0
109.02875	1.6
113.07147	3.3
114.05516	0.5
127.03902	2.4
127.04958	0.7
131.06039	0.6
131.08177	1.3
132.06528	0.4
139.05061	0.7
143.08163	16.6
145.04982	1.5
153.37064	0.3
155.11758	0.3
157.06085	100.0
158.06471	0.7
159.92793	0.3
173.12851	1.6
185.12872	6.6
203.93555	0.3
253.09962	0.4
262.11911	1.5
279.51706	0.3
304.16522	3.7
305.13498	1.1
319.11359	25.2
335.18033	0.5
347.18225	1.8
361.16171	0.4
384.15897	10.7
384.23859	0.7
414.12598	0.3
420.11685	0.7
424.16965	2.7
450.12439	0.4
466.21890	12.3
498.14227	0.4
546.21118	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03941	2.9
55.01860	4.0
55.05262	1.4
55.05510	18.5
57.03423	2.9
57.07070	2.4
65.03934	1.9
67.05503	57.4
69.03431	1.1
69.07064	15.5
69.70522	2.5
69.70934	3.1
70.53171	0.8
71.04990	2.8
71.08617	1.0
73.02890	1.3
73.71967	0.8
77.03934	1.6
79.05490	35.4
80.41757	0.7
81.03409	2.5
81.07054	55.5
83.04962	4.8
83.08614	12.1
85.06487	0.9
86.46271	0.8
91.05479	15.7
93.07042	48.0
95.04962	8.1
95.08604	62.5
97.02899	3.4
97.06517	3.4
97.10156	3.4
98.20750	1.6
99.04453	3.2
99.08091	1.4
103.05481	0.9
105.07028	13.4
107.04950	7.3
107.08589	27.6
109.06503	2.1
109.10153	11.9
111.08056	1.5
116.06179	0.8
116.71822	0.7
117.07007	9.4
119.08580	13.0
121.06508	6.0
121.09316	1.1
121.10147	15.6
123.11734	3.9
125.06005	3.2
125.09665	1.4
129.06931	1.0
130.07838	1.4
131.08551	2.9
133.10127	7.1
135.08032	2.5
135.11693	44.8
137.13229	1.8
139.07574	1.9
143.08540	1.6
145.10112	24.5
147.07881	0.9
147.11697	2.7
149.13258	1.6
153.12785	1.0
157.10133	1.3
161.13223	1.6
163.11177	54.5
163.14854	1.8
166.71803	0.9
171.11713	0.8
175.14825	1.8
181.12242	15.0
209.11780	2.8
227.12776	100.0
228.13211	1.1
245.22693	1.5
263.23782	3.2
413.74802	1.1
527.37549	1.6
545.38379	41.3
546.38550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01872	5.7
55.05509	39.8
57.03420	7.6
57.07063	2.9
65.03934	5.2
67.05505	85.9
69.03424	5.4
69.07076	23.0
71.04988	4.2
71.38229	3.1
71.38564	4.7
73.32786	2.7
79.05060	4.7
79.05490	55.3
81.03423	20.5
81.07058	80.2
83.04980	6.8
83.08617	26.8
85.06541	4.4
91.05479	36.5
93.07043	54.1
95.04970	21.6
95.08603	61.5
97.02851	2.8
97.06542	6.1
97.10155	21.7
105.07037	31.7
107.04954	14.0
107.08602	42.9
108.13227	2.6
109.06496	6.3
109.10151	31.5
110.62211	2.4
111.08131	3.4
117.07025	16.8
119.08598	31.0
121.06498	10.4
121.10140	25.9
123.08090	3.8
123.11744	11.5
125.09607	15.3
129.07011	11.7
130.07809	2.2
131.08543	23.8
133.06541	5.3
133.10126	24.2
135.08081	6.0
135.11707	28.4
137.09677	3.2
141.07022	3.5
143.08556	9.9
145.10114	25.6
147.08018	3.6
147.11734	12.1
149.09647	5.2
149.13286	8.6
149.72937	2.3
150.85414	2.6
155.08536	3.2
157.10167	12.2
159.11722	11.4
161.09612	3.1
161.13306	7.3
163.11172	26.4
163.14893	2.8
171.11722	6.3
173.09630	4.0
173.13313	9.3
175.11258	3.6
175.14841	4.3
181.12306	6.9
183.11641	3.7
185.13275	5.2
187.14865	6.2
189.11258	10.8
193.12241	7.7
195.11865	3.1
197.13222	3.4
199.14842	3.9
205.15819	3.2
219.17458	3.0
227.12784	61.7
240.64246	2.5
243.21146	3.3
247.17044	3.0
261.22186	13.3
267.15875	16.6
275.85342	2.5
285.22137	3.7
287.20029	3.5
301.25159	19.8
303.23169	4.0
335.25821	14.0
435.32590	8.7
453.33688	13.1
471.34860	11.1
527.37347	48.7
545.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64682	2.2
52.57843	2.1
53.03934	4.6
55.01871	7.0
55.05513	45.2
57.03437	13.9
57.07066	4.7
65.03930	4.0
67.05505	89.8
69.03467	3.7
69.07065	23.5
69.66978	7.9
69.67404	10.8
71.04999	5.4
79.05493	56.8
81.03416	26.8
81.07057	81.1
83.04983	8.7
83.08609	21.9
85.06548	6.9
91.05476	45.3
93.07047	55.1
95.04965	26.2
95.08604	61.8
97.06551	6.0
97.10180	23.8
98.21477	4.9
105.07027	36.9
107.04930	11.3
107.08595	30.1
109.06501	5.6
109.10148	36.6
111.08082	5.6
113.09595	2.6
117.07022	24.3
119.08584	34.5
121.06501	11.5
121.10140	26.6
121.63387	3.1
123.08106	6.3
123.11700	11.5
125.09635	20.7
129.07028	13.3
130.07829	2.8
131.08563	30.0
133.06514	6.0
133.10139	25.6
135.08035	9.6
135.11682	15.4
137.09616	4.9
141.06940	2.6
143.08583	9.8
145.06546	4.7
145.10127	20.7
147.08127	3.5
147.11652	16.9
149.09648	7.0
149.13295	6.1
150.81241	2.4
151.11270	3.3
153.09097	2.4
155.08664	3.4
157.10126	12.4
159.08083	5.2
159.11687	17.7
161.09584	4.1
161.13281	10.1
163.11240	5.5
163.14819	2.9
169.10162	4.5
171.11673	7.8
173.09651	3.3
173.13313	8.9
175.11185	3.8
175.14900	5.2
175.82654	2.2
181.10208	2.9
183.11716	7.5
185.13281	7.7
187.14824	7.4
189.11186	12.0
193.12270	12.1
195.11670	2.8
197.13329	3.1
199.14827	4.4
201.16374	2.9
227.12743	21.8
243.21130	4.1
247.17046	3.7
261.22153	15.0
267.15927	22.6
273.22278	2.8
285.22467	3.3
289.21848	3.0
301.25183	26.1
303.23184	3.9
317.24747	2.8
329.20981	3.7
335.25867	16.8
359.25952	2.9
417.31476	3.3
421.25681	2.8
435.27066	3.3
435.32581	8.7
453.33633	19.5
467.86914	2.8
471.34778	12.7
489.35764	2.8
501.35175	3.2
527.37274	56.8
545.38397	100.0
546.38568	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
54.64051	2.1
55.01871	5.7
55.05507	42.0
57.03420	9.4
57.07071	4.5
58.02166	3.1
59.13616	1.8
61.56052	2.0
65.03938	5.3
67.05502	86.5
68.77467	1.9
69.03423	4.3
69.07066	24.9
69.67374	14.5
71.04974	5.2
79.05059	3.7
79.05490	52.6
81.03413	27.2
81.07053	86.1
82.07413	2.4
83.04982	9.4
83.08607	23.5
83.54363	1.9
85.02884	2.9
85.06525	4.5
85.22976	1.9
91.05476	41.0
93.07036	61.6
95.04967	27.3
95.08598	65.0
97.02886	2.4
97.06531	6.8
97.10166	19.1
98.20699	2.5
99.04443	3.3
105.07027	38.1
107.04967	12.8
107.08591	42.4
109.06521	5.4
109.10151	30.0
111.08096	6.2
115.05450	2.3
117.07024	17.7
119.08569	33.0
121.06495	10.8
121.10131	24.9
123.08051	3.8
123.11715	9.5
125.09605	15.7
129.06993	11.2
131.08565	25.1
133.06459	2.1
133.10121	17.4
135.08057	8.9
135.11700	29.0
137.09671	4.8
143.08568	9.5
145.10115	29.1
147.08031	4.4
147.11699	14.1
149.09636	4.4
149.13272	6.2
155.08562	3.6
157.10114	12.2
159.11743	11.2
161.09669	2.4
161.13235	4.2
163.11130	22.2
163.14859	3.1
165.12781	2.5
169.10049	3.7
171.11635	4.4
173.13203	10.0
175.11264	5.4
175.14844	6.3
181.12268	6.0
185.13275	6.3
187.13330	2.3
187.14862	6.8
189.11195	12.1
189.12730	2.4
189.16301	2.3
193.12253	8.0
195.75951	2.3
197.13289	4.4
214.00685	2.5
227.12776	58.8
233.15541	2.8
243.21091	5.1
248.75926	2.2
261.22150	8.3
267.15909	18.2
285.22198	4.0
299.23679	3.1
301.22009	3.7
301.25165	19.2
303.23111	3.3
304.29831	2.2
315.32764	2.3
317.24808	3.0
335.25757	12.6
341.24802	2.2
359.25980	4.0
384.31760	2.3
391.08719	2.2
403.24966	2.6
421.25903	2.8
435.32520	7.9
453.33704	15.1
471.34702	11.9
527.37299	45.8
528.38025	3.5
545.38342	100.0
546.38342	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01867	8.2
55.05259	3.5
55.05510	41.0
57.03434	10.9
57.07064	3.8
65.03937	4.3
66.74170	2.2
67.05505	81.8
69.03416	2.6
69.07063	25.8
69.55679	17.2
71.04987	7.1
79.05492	53.7
79.22485	1.9
81.03416	19.8
81.07053	83.5
83.04979	6.6
83.08608	19.0
85.02906	2.1
85.06550	3.4
87.78523	2.0
91.05474	44.7
93.07041	60.6
95.04970	21.1
95.08604	59.7
97.06532	6.9
97.10163	15.4
99.04485	3.2
103.05463	3.7
105.07033	32.2
107.04963	8.3
107.08598	37.4
109.06503	5.9
109.10143	29.7
111.08099	7.8
115.05460	3.9
117.07018	18.7
119.08575	29.0
121.06501	8.2
121.10161	27.6
123.08086	4.9
123.11674	10.4
125.09631	15.0
129.07030	7.8
130.07710	2.3
131.08556	23.4
133.06444	2.4
133.10144	18.2
135.08063	7.2
135.11684	33.0
137.09610	4.1
137.13240	3.1
143.08560	6.9
145.10107	29.1
147.08035	5.7
147.11649	11.9
149.09630	3.7
149.13229	10.1
155.08543	4.9
157.10097	11.4
159.08159	3.1
159.11688	13.1
161.13271	9.2
163.11182	29.8
163.14830	4.3
169.10152	3.8
171.11714	6.2
173.11877	2.4
173.13263	8.2
175.11183	4.0
175.14787	4.9
181.10181	2.2
181.12277	8.0
183.11739	4.2
185.13322	5.1
187.14815	4.9
189.11241	8.5
189.16322	3.4
193.12247	6.6
199.14893	4.6
205.70430	2.1
211.13217	2.9
227.12769	59.7
247.17015	2.1
261.22095	11.5
263.23904	2.5
267.15903	17.7
267.21051	2.9
285.22098	4.8
299.23721	2.6
301.25284	19.8
303.23352	3.7
335.25760	11.9
359.25830	3.9
406.11749	2.4
417.31992	3.5
421.25714	2.3
435.27588	4.8
435.32681	9.7
453.33801	17.0
471.34564	15.3
509.36340	2.3
527.37280	51.7
545.38336	100.0
546.38513	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	545.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
54.10154	7.6
55.01861	18.2
55.05515	48.1
57.03430	21.7
61.02913	36.0
67.05502	67.0
69.03431	34.5
69.07066	35.5
71.01337	6.0
71.04986	7.6
71.59539	5.5
71.59947	7.3
73.02896	15.6
74.12857	5.7
79.05496	48.7
81.03423	70.4
81.07059	62.7
83.04961	16.5
83.08601	29.0
85.02912	41.5
87.04453	6.2
91.03965	15.7
91.05471	46.6
93.07037	36.0
95.04942	34.1
95.08607	38.4
97.02888	31.2
97.06536	7.5
97.10175	31.3
105.07031	21.8
107.04967	14.9
107.08575	20.8
109.02893	16.1
109.06496	7.0
109.10141	29.6
110.89162	6.6
111.04438	13.3
111.08073	10.6
117.07051	15.6
119.08575	25.0
121.06496	12.5
121.10156	19.2
123.08078	23.2
125.09631	30.8
127.03923	17.2
129.07022	9.2
131.08582	15.3
133.10133	18.6
135.08064	8.9
145.10158	12.0
147.04424	10.6
147.08049	12.6
147.11661	11.1
149.09653	8.1
157.10173	7.1
159.11714	6.2
161.09653	7.3
163.07607	9.2
163.11165	7.7
165.09097	8.5
173.11655	9.0
175.11212	10.0
187.13310	8.9
189.11250	22.0
191.10698	7.1
193.12236	37.9
201.14619	6.2
211.13263	48.0
223.13289	18.6
227.12796	16.6
229.14249	6.8
249.35893	6.1
267.16083	12.3
273.18610	32.2
285.16974	24.7
291.19516	100.0
311.73523	6.7
344.89713	6.3
347.22104	9.9
365.23294	47.4
383.24231	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	545.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07918	17.8
55.05511	48.7
57.03434	39.0
63.74928	19.2
67.05487	73.0
69.03406	27.7
69.07068	22.8
70.88629	41.6
70.89001	36.5
79.05470	55.2
81.03398	56.9
81.07066	100.0
83.04977	20.7
83.08595	22.1
85.02873	44.7
85.06522	22.9
91.05469	53.3
93.07025	56.0
93.22137	18.2
95.04951	71.5
95.08596	56.0
97.06503	26.4
105.03352	22.1
105.06999	54.2
107.04933	49.2
107.08601	43.8
109.02871	22.1
109.06501	42.0
109.10129	40.6
113.05999	38.4
119.08566	32.3
121.10101	31.5
123.04473	26.5
131.08554	29.6
131.29959	18.5
133.10078	47.0
135.08008	30.5
135.11607	20.6
145.10143	22.7
159.11671	28.4
165.05521	17.9
185.13251	22.3
256.24646	20.2
273.18613	27.5
291.19531	47.6
297.03931	32.6
365.23117	53.4
407.22559	23.0
487.04782	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	545.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
56.05028	2.2
68.34407	0.6
69.03434	1.8
69.82865	4.1
70.06600	2.7
72.08153	2.1
76.83864	0.6
77.62480	0.6
79.05503	0.6
80.51815	0.6
81.03435	1.0
84.04521	1.1
84.08138	2.4
85.02899	2.0
86.09705	1.9
87.01929	0.9
91.05466	0.7
93.07068	0.9
95.04957	0.8
95.06037	0.6
97.02901	1.4
98.06068	1.0
105.02606	0.6
105.07056	0.8
107.04947	5.2
107.08611	0.9
109.02879	0.8
109.10160	1.0
111.37962	0.6
119.08581	0.8
120.27016	0.7
121.05209	0.9
121.10200	1.2
122.06037	2.9
122.06901	0.7
123.04418	0.8
124.07580	0.6
127.03927	0.9
127.08713	2.7
133.06494	1.0
134.69987	0.6
140.07323	0.6
141.06590	11.3
147.04398	0.7
159.11392	0.6
163.03986	1.0
167.06955	0.7
169.13414	2.9
177.05588	0.7
178.04993	0.8
186.02232	2.7
191.52513	0.6
279.13965	1.1
279.93759	0.6
297.14804	0.7
333.07993	1.4
335.09464	10.2
424.17224	0.8
466.21814	4.2
545.25726	100.0
546.20941	2.6
546.27032	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
56.05028	2.2
68.34407	0.6
69.03434	1.8
69.82865	4.1
70.06600	2.7
72.08153	2.1
76.83864	0.6
77.62480	0.6
79.05503	0.6
80.51815	0.6
81.03435	1.0
84.04521	1.1
84.08138	2.4
85.02899	2.0
86.09705	1.9
87.01929	0.9
91.05466	0.7
93.07068	0.9
95.04957	0.8
95.06037	0.6
97.02901	1.4
98.06068	1.0
105.02606	0.6
105.07056	0.8
107.04947	5.2
107.08611	0.9
109.02879	0.8
109.10160	1.0
111.37962	0.6
119.08581	0.8
120.27016	0.7
121.05209	0.9
121.10200	1.2
122.06037	2.9
122.06901	0.7
123.04418	0.8
124.07580	0.6
127.03927	0.9
127.08713	2.7
133.06494	1.0
134.69987	0.6
140.07323	0.6
141.06590	11.3
147.04398	0.7
159.11392	0.6
163.03986	1.0
167.06955	0.7
169.13414	2.9
177.05588	0.7
178.04993	0.8
186.02232	2.7
191.52513	0.6
279.13965	1.1
279.93759	0.6
297.14804	0.7
333.07993	1.4
335.09464	10.2
424.17224	0.8
466.21814	4.2
545.25726	100.0
546.20941	2.6
546.27032	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	4.3
58.43898	1.2
61.02927	6.4
69.03426	23.9
69.03800	1.0
69.37090	4.3
69.37511	10.3
71.01360	1.3
71.04985	4.4
71.78521	1.1
71.97587	1.2
72.08144	1.5
73.02903	4.4
74.06071	1.2
77.46624	1.4
81.03400	8.0
84.08142	1.4
85.02901	21.0
87.04469	3.1
91.92086	1.3
97.02888	10.9
99.04447	3.3
109.02872	2.5
118.89666	1.6
127.03926	5.1
133.07646	3.6
145.07619	11.6
157.07625	1.9
161.07068	4.2
163.03922	1.6
163.08643	12.8
171.09143	1.7
175.08693	3.4
177.06651	2.5
184.09964	1.5
186.02110	1.9
189.06616	7.8
191.08156	2.5
199.08690	1.6
201.10199	2.5
207.07643	84.1
213.10358	1.7
214.06110	2.8
231.11140	1.7
232.07118	13.9
249.12372	1.5
261.12335	2.0
274.58731	1.4
277.11926	2.8
278.12469	1.5
279.13333	7.8
287.10233	2.0
305.11359	7.1
320.12332	1.4
323.12344	57.0
324.12503	1.6
348.11893	49.6
366.12943	100.0
367.13165	2.4
371.08920	1.6
436.10999	1.4
462.46402	1.5
485.17191	2.9
510.17007	5.2
528.18219	72.4
570.07465	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.2
53.03925	2.5
55.01876	4.0
55.05510	15.2
57.03408	2.6
57.07057	1.7
61.05402	0.7
65.03922	2.6
67.05502	35.4
69.03413	1.5
69.07065	10.1
71.04960	3.0
73.02888	1.6
77.03897	1.4
79.05492	43.3
81.03394	2.8
81.07058	34.2
83.04990	3.8
83.08228	0.6
83.08615	7.6
85.06541	1.0
91.05479	23.7
93.07043	58.5
95.04963	9.9
95.08607	44.1
96.37641	0.8
97.02872	2.7
97.06535	4.6
97.10129	2.2
99.04429	2.4
103.05476	1.3
105.04529	0.8
105.07029	22.6
107.04939	5.8
107.08594	36.4
109.06476	2.8
109.10153	8.1
111.04403	1.3
111.08047	1.8
115.05433	1.8
117.07014	12.9
119.08575	14.1
121.06503	5.2
121.10140	22.0
123.11716	1.8
125.05975	2.9
125.09627	0.8
127.07547	0.8
129.06978	1.8
130.07751	2.2
131.08574	7.6
133.10146	6.8
135.08044	2.2
135.11688	43.5
139.07529	1.9
143.08514	1.6
145.10126	27.3
147.11673	3.4
149.13293	3.8
153.12740	0.8
157.10086	1.0
159.11650	3.1
161.13266	2.7
163.11183	58.5
163.14862	1.5
173.09552	1.1
173.13231	2.6
181.12247	12.6
187.14760	1.6
227.12779	100.0
228.13107	1.4
234.85225	0.7
243.21140	1.9
261.22211	5.8
268.05490	0.7
275.20087	1.9
283.15344	1.1
317.24774	2.1
407.25354	0.9
469.33475	1.0
525.36389	1.4
543.36816	42.2
544.37158	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48589	1.3
52.06518	1.6
53.03945	2.8
53.29424	1.3
54.78206	1.4
55.01868	3.8
55.05521	14.7
57.03436	3.6
61.81409	1.5
65.03928	1.7
67.05177	2.8
67.05510	38.0
69.03447	1.8
69.07066	13.2
69.83815	6.0
69.84222	2.6
71.05004	2.9
75.48529	1.6
79.05498	47.1
81.03417	4.5
81.07056	38.7
83.04989	4.9
83.08614	11.0
85.06534	2.4
91.05484	23.1
93.07047	55.6
95.04983	9.6
95.08611	39.9
95.09079	1.3
97.02882	2.7
97.06547	4.7
97.10168	3.6
99.04489	2.5
105.07031	19.5
105.07679	1.8
107.04964	7.1
107.08595	35.7
109.06543	3.7
109.10145	10.1
111.08095	1.9
117.07050	12.7
119.08582	19.1
121.06519	5.2
121.10152	21.6
123.11724	2.1
125.05988	3.0
125.09670	2.9
130.07787	3.1
131.08565	11.5
133.10133	8.3
135.08075	2.5
135.11699	46.9
139.07524	2.2
143.08582	3.1
145.10133	31.0
147.11714	4.6
149.13217	3.5
155.08670	2.1
157.10109	3.1
159.11720	6.5
161.01466	1.6
161.13251	3.4
163.11192	56.7
163.12547	3.3
165.29259	1.4
169.10126	1.7
173.09610	2.8
173.13268	3.7
181.12213	13.3
187.14740	2.0
189.11252	1.6
208.03998	1.4
209.11676	3.0
227.12779	100.0
261.22232	5.5
275.20193	4.3
433.31088	2.0
451.32388	2.0
525.35675	5.6
543.36859	63.0
544.36926	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01867	3.9
55.05510	21.2
57.03432	3.2
57.07070	3.0
65.03944	2.3
67.05503	47.8
69.03427	2.8
69.07063	15.7
70.85026	1.4
70.85378	2.5
71.04981	2.7
73.02907	1.6
77.03924	1.6
79.05492	60.5
81.03418	3.2
81.07054	48.5
83.04967	5.3
83.08614	12.9
85.02905	1.6
85.06557	1.1
91.05478	28.1
91.06011	2.1
93.07041	70.6
93.47800	1.0
94.07374	1.2
95.04967	14.0
95.08602	56.1
97.02898	4.2
97.06482	5.1
97.10174	4.7
99.04482	3.7
103.05451	1.9
105.07026	21.1
107.04951	10.5
107.08591	44.6
109.06520	3.7
109.10152	10.6
111.08089	2.0
117.07012	19.1
119.08588	19.6
121.06514	7.8
121.10143	24.1
121.11018	1.2
123.11755	2.3
125.05978	3.2
129.06998	2.5
130.07797	2.3
131.08556	10.7
133.10129	9.0
135.08099	2.0
135.11688	53.0
137.09621	1.1
137.49335	1.1
139.07495	1.6
139.84096	1.1
141.07024	1.2
143.08588	2.5
144.87328	1.1
145.06465	1.7
145.10118	32.8
147.11729	4.6
149.13295	3.7
151.11087	1.3
155.08580	1.4
157.10159	1.4
159.11684	5.5
161.13371	1.9
163.11182	60.3
169.10194	1.6
173.09637	1.5
173.13304	3.3
175.14873	1.6
181.12247	15.1
185.13304	1.7
187.14830	2.6
209.11742	2.7
227.12773	100.0
261.22147	10.1
299.23688	1.2
317.24628	1.2
433.44232	1.2
451.31989	1.6
525.35944	2.3
543.36847	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
54.05353	1.2
55.01869	4.5
55.05511	16.6
55.14485	1.2
57.03431	4.0
57.07052	1.8
59.28826	1.2
65.03931	1.4
65.13789	1.1
67.05509	40.9
69.03422	2.8
69.07069	13.4
69.87738	5.6
69.88147	2.6
71.04995	2.6
78.01365	1.3
78.43684	1.1
79.05491	47.7
81.03416	3.3
81.06579	2.4
81.07053	38.8
83.04974	3.9
83.08624	9.9
83.86110	1.2
85.06546	2.3
88.72662	1.3
91.05476	27.7
93.07044	53.9
94.67752	1.3
95.04967	12.4
95.08606	44.4
95.55241	1.3
97.02891	3.6
97.06536	5.6
99.04458	1.9
103.05481	1.1
104.13771	1.1
105.07024	23.9
107.04972	7.9
107.08589	35.9
109.06509	3.8
109.10142	10.0
111.08076	1.9
115.05468	1.4
117.07009	14.8
119.08569	20.2
121.06515	7.8
121.10147	20.3
123.11732	2.1
125.06026	1.8
125.09705	1.5
129.06120	1.3
129.07028	4.7
130.07802	1.7
131.08560	10.1
133.10120	9.6
135.08044	2.4
135.11690	39.9
137.09691	1.4
141.07085	1.3
143.08575	2.8
145.10126	27.8
147.11674	4.5
149.13277	4.3
157.10141	1.3
159.11726	4.3
161.13260	3.3
163.11177	53.9
169.10107	1.6
171.11713	2.0
173.09674	1.7
173.13278	3.7
181.12242	14.8
187.14755	2.1
209.11626	1.8
220.74428	1.4
227.12776	100.0
234.46764	1.4
261.22095	6.9
275.20193	3.8
317.24759	2.9
422.02603	1.5
433.31253	1.7
451.32306	2.5
525.35474	3.0
543.36810	50.2
544.37061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43870	0.9
68.18892	0.8
69.61972	5.6
104.29373	0.9
106.73222	0.9
131.39326	0.8
161.16173	0.9
200.70477	0.8
214.67012	0.8
312.14035	1.1
339.25409	0.9
363.06906	3.9
381.07944	20.9
543.13190	100.0
544.13428	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	1.3
57.03380	1.4
61.02900	1.0
62.68925	0.7
67.05444	3.0
69.03386	2.7
69.07017	2.3
71.04954	1.3
71.13198	1.5
79.05454	1.8
81.03355	2.1
81.07003	3.0
85.02840	2.6
85.03328	0.9
91.05405	2.6
93.07031	3.8
95.04926	0.9
95.08541	2.2
95.09106	0.7
96.77142	0.7
97.02840	3.0
97.06490	0.9
97.10168	0.8
99.04396	0.7
105.06966	2.7
107.08553	1.1
109.06454	0.8
109.10101	1.6
117.06919	1.4
119.08530	2.4
121.10102	1.4
123.04368	1.3
123.08055	0.8
127.03865	1.5
131.08505	1.5
132.21716	0.7
133.10051	1.6
135.07956	0.8
135.11711	0.9
145.10068	2.1
147.11642	1.3
149.09496	0.8
163.11140	1.5
173.13177	0.8
185.04260	0.8
190.82347	0.7
197.13275	0.7
207.75542	0.7
217.08582	1.8
218.04660	0.8
219.51747	0.7
223.60777	0.7
227.06853	0.7
246.20796	0.8
257.19061	1.6
271.16803	0.7
275.17401	0.7
275.19998	4.3
333.24057	1.0
349.23761	1.0
363.25052	1.3
381.26111	100.0
382.26199	1.0
497.80075	0.8
543.31415	91.0
544.31750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
65.51991	0.7
71.58365	1.4
85.02876	1.1
147.04355	0.8
179.51854	0.7
363.06784	3.8
381.07907	19.6
449.47925	0.8
543.13196	100.0
544.13635	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	542.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13468	6.6
52.70566	6.6
54.49584	6.3
62.38765	6.3
64.13824	6.1
67.05486	9.7
69.03428	11.5
69.07077	7.2
69.50420	27.7
69.50837	24.3
76.83835	7.5
79.05508	7.0
85.02914	14.3
91.05478	11.6
93.07059	10.1
94.06564	85.1
94.68266	6.2
95.04979	9.3
123.04465	7.4
171.67909	7.0
175.14432	10.1
179.11813	100.0
251.33801	6.7
258.08392	10.3
291.17270	7.1
542.29626	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	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01864	0.9
61.02916	1.0
69.03431	2.0
70.06595	0.8
70.48763	2.4
72.08169	1.1
79.05484	1.5
81.03397	1.0
81.07050	1.0
81.66123	0.6
85.02904	4.6
87.04447	0.7
91.05470	2.6
93.03413	0.8
93.07055	0.9
94.04184	1.4
95.04957	0.8
95.08595	0.6
97.02885	2.0
103.05456	5.0
105.07043	4.2
106.04171	1.2
107.04955	1.5
109.02862	1.0
109.06489	1.3
117.07022	1.2
119.04841	0.7
121.06484	3.7
122.03655	4.4
122.06007	0.8
123.08089	0.8
127.03923	1.6
129.07004	0.7
131.04930	9.1
133.06488	19.3
133.07457	1.3
135.08070	5.9
137.05978	100.0
138.09061	0.7
143.08540	1.5
145.06506	3.2
147.08072	2.1
148.07556	0.7
149.05984	2.4
151.07533	6.2
154.14047	0.6
157.06516	1.7
159.08115	0.6
160.05240	0.6
163.07545	31.1
165.09108	0.6
171.08043	1.9
172.08861	0.6
174.06721	0.7
175.07544	2.8
177.05446	1.6
179.03409	1.0
184.00644	1.0
186.02110	1.4
187.07594	0.8
188.08318	0.7
189.09062	3.0
195.25983	0.7
203.10643	5.2
207.10097	0.9
209.08168	3.9
210.08444	0.9
218.56123	0.6
221.11827	1.1
235.11412	0.9
245.09674	0.8
263.10684	2.6
295.13318	14.8
327.15921	19.8
334.69055	0.6
345.16721	0.7
542.22119	1.0
543.23987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.7
57.03431	0.7
61.02924	0.7
63.07687	0.5
67.05494	0.7
68.99759	0.5
69.03432	3.1
69.07055	1.9
70.06574	1.1
70.88787	1.0
70.89122	0.9
81.03407	2.5
85.02890	4.0
87.00828	0.9
91.05460	0.8
93.07081	0.6
94.06574	0.7
95.04958	0.8
97.02882	2.0
99.04440	0.6
105.01845	0.6
107.04979	0.6
108.08182	0.5
109.02851	1.2
110.09663	1.1
115.03912	0.6
117.44813	0.5
120.08121	0.9
122.06038	1.3
123.04368	0.7
124.07603	0.5
127.03913	1.5
127.42564	0.6
130.06462	0.7
140.07059	2.8
143.07341	2.7
144.08087	3.8
146.06047	0.8
148.07608	3.9
151.03909	0.6
154.44302	0.6
156.08109	2.2
157.08836	0.7
158.09654	8.4
162.09062	0.7
166.08612	1.5
167.07178	1.0
168.06560	3.7
168.08096	2.2
170.09653	1.0
174.05486	0.8
174.09120	1.3
180.08066	0.6
182.09660	0.7
184.07538	3.1
186.09151	9.7
194.09625	0.8
198.09108	1.2
199.08638	3.4
200.01175	0.6
200.10712	0.7
204.10226	9.4
210.09203	1.7
212.09134	1.0
213.10204	1.2
214.10927	0.7
215.11775	1.2
216.10210	1.2
224.10866	0.6
225.10255	3.4
226.08818	1.2
227.08205	1.7
227.11853	1.8
228.10223	1.5
241.09752	1.0
241.13409	1.2
242.10539	0.8
243.11336	1.6
246.11322	1.4
249.10338	0.6
251.11858	0.6
252.10179	1.7
255.11287	14.0
255.32317	0.6
258.11359	0.9
269.12811	5.0
270.11234	1.4
276.12271	6.7
279.11270	0.7
287.14032	1.3
294.13351	1.9
297.12357	5.9
315.13388	100.0
316.13690	2.3
323.10162	1.6
325.11908	3.3
330.92581	0.6
336.14545	0.8
351.09756	1.8
359.12347	0.6
373.14014	0.6
374.12247	0.8
375.39880	0.7
392.13297	1.5
434.14520	0.7
466.19632	1.6
484.20923	1.2
492.17538	1.1
506.17062	0.7
542.21655	1.5
542.30048	0.9
543.24261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.7
57.03431	0.7
61.02924	0.7
63.07687	0.5
67.05494	0.7
68.99759	0.5
69.03432	3.1
69.07055	1.9
70.06574	1.1
70.88787	1.0
70.89122	0.9
81.03407	2.5
85.02890	4.0
87.00828	0.9
91.05460	0.8
93.07081	0.6
94.06574	0.7
95.04958	0.8
97.02882	2.0
99.04440	0.6
105.01845	0.6
107.04979	0.6
108.08182	0.5
109.02851	1.2
110.09663	1.1
115.03912	0.6
117.44813	0.5
120.08121	0.9
122.06038	1.3
123.04368	0.7
124.07603	0.5
127.03913	1.5
127.42564	0.6
130.06462	0.7
140.07059	2.8
143.07341	2.7
144.08087	3.8
146.06047	0.8
148.07608	3.9
151.03909	0.6
154.44302	0.6
156.08109	2.2
157.08836	0.7
158.09654	8.4
162.09062	0.7
166.08612	1.5
167.07178	1.0
168.06560	3.7
168.08096	2.2
170.09653	1.0
174.05486	0.8
174.09120	1.3
180.08066	0.6
182.09660	0.7
184.07538	3.1
186.09151	9.7
194.09625	0.8
198.09108	1.2
199.08638	3.4
200.01175	0.6
200.10712	0.7
204.10226	9.4
210.09203	1.7
212.09134	1.0
213.10204	1.2
214.10927	0.7
215.11775	1.2
216.10210	1.2
224.10866	0.6
225.10255	3.4
226.08818	1.2
227.08205	1.7
227.11853	1.8
228.10223	1.5
241.09752	1.0
241.13409	1.2
242.10539	0.8
243.11336	1.6
246.11322	1.4
249.10338	0.6
251.11858	0.6
252.10179	1.7
255.11287	14.0
255.32317	0.6
258.11359	0.9
269.12811	5.0
270.11234	1.4
276.12271	6.7
279.11270	0.7
287.14032	1.3
294.13351	1.9
297.12357	5.9
315.13388	100.0
316.13690	2.3
323.10162	1.6
325.11908	3.3
330.92581	0.6
336.14545	0.8
351.09756	1.8
359.12347	0.6
373.14014	0.6
374.12247	0.8
375.39880	0.7
392.13297	1.5
434.14520	0.7
466.19632	1.6
484.20923	1.2
492.17538	1.1
506.17062	0.7
542.21655	1.5
542.30048	0.9
543.24261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
58.63861	0.2
60.22941	0.3
69.03412	0.4
69.07060	1.4
70.06571	0.9
72.08143	0.3
81.03414	0.5
81.07059	0.5
85.02901	0.4
94.06552	0.6
95.04968	0.5
95.08613	0.3
96.04509	0.3
97.02909	0.3
105.07027	0.4
108.04480	0.8
109.02845	0.2
112.07590	0.3
120.08087	0.5
121.10117	0.3
122.06048	1.5
123.04435	0.4
140.07074	2.8
146.06035	0.5
148.07573	4.6
149.92831	0.2
150.05536	0.3
160.07584	0.7
162.09157	0.2
168.06595	3.5
170.09651	0.3
172.07603	0.2
174.05547	1.0
176.07210	0.3
188.07094	0.3
193.12184	0.3
197.10811	0.3
198.09157	0.8
199.08643	3.4
199.12375	0.3
202.08624	0.3
210.09221	0.4
212.09258	1.3
213.10245	1.2
214.11029	0.8
215.11826	1.1
224.10765	0.3
225.10207	3.2
226.08672	1.1
227.08130	1.6
227.11684	2.1
237.03040	0.3
238.08675	0.4
241.09718	0.7
241.13367	0.9
242.10611	0.9
243.11314	1.2
251.11752	0.3
252.10242	0.9
255.11279	13.1
256.11816	0.4
269.12857	4.3
285.17017	0.3
287.13928	0.8
297.09137	0.5
297.12354	6.0
298.12982	0.3
315.13373	100.0
316.13660	2.5
342.09311	0.3
342.85620	0.3
359.47977	0.2
373.13882	0.8
406.11844	0.2
507.19077	0.3
533.02600	0.3
542.21069	1.2
542.29840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.2
57.03440	1.5
61.02943	1.4
65.52365	0.7
69.03427	5.6
69.07064	1.7
69.74030	1.2
69.74441	3.9
70.06601	1.0
73.02921	1.5
76.63599	0.7
81.03426	3.8
85.02900	9.8
87.00835	3.0
87.04469	1.3
91.05482	0.8
94.06567	1.5
95.04980	1.0
95.07440	0.8
96.08135	1.0
97.02873	4.0
99.04472	1.5
105.01865	1.7
108.08156	0.8
109.02874	2.1
110.09648	1.1
115.03921	1.0
117.01842	0.9
117.05733	1.1
120.08078	1.5
122.06070	0.9
127.03898	4.5
129.07040	1.5
130.06534	2.8
132.08087	1.0
137.05966	1.0
138.09131	1.0
140.07062	3.5
143.07307	6.0
144.08109	10.0
145.04999	1.5
146.06073	1.2
148.07610	3.7
154.06541	0.9
156.08066	5.2
157.08885	1.7
158.09662	26.0
159.02866	1.8
159.92758	0.7
160.07542	0.8
166.08664	2.9
167.07259	2.5
168.06607	3.6
168.08115	5.5
170.09615	2.2
174.09151	2.2
180.08121	1.3
182.09648	3.1
184.07603	6.6
185.08376	1.0
186.09132	30.0
186.10788	1.7
194.09665	1.9
195.10619	0.8
198.09175	2.5
199.08682	3.6
200.10745	3.4
204.10196	23.3
204.12053	1.2
210.09145	2.2
212.09114	1.3
212.10899	1.1
213.10246	1.1
215.11752	2.0
216.10176	1.0
224.10779	1.8
225.10144	3.8
226.08739	1.1
227.08119	1.5
227.11855	2.1
228.10257	4.2
230.11971	1.0
237.10262	1.7
238.08646	0.8
240.10333	1.3
241.09737	0.8
241.13333	1.1
243.11288	1.1
246.11328	3.5
252.10127	1.8
253.09724	1.3
255.11267	13.0
258.11340	1.1
265.09613	1.5
269.12897	4.1
270.11246	2.1
276.12317	17.0
287.13974	1.1
293.09003	0.8
294.13702	3.7
297.12256	6.2
315.13373	100.0
318.13388	1.9
323.10358	2.2
325.11801	2.8
336.14301	3.4
339.09338	0.9
351.09625	1.1
359.12341	0.9
374.12534	1.3
392.13318	4.2
398.12161	1.0
416.13232	2.2
434.14334	1.4
450.03726	0.9
464.17972	0.9
492.17587	1.9
506.16400	0.9
524.17664	2.6
542.21930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.5
53.03938	9.3
55.01870	2.5
55.05258	2.7
55.05509	27.3
57.03418	4.4
57.07077	30.0
58.07414	2.8
59.04989	3.2
64.63001	1.9
65.03943	5.5
67.05503	75.1
69.03450	2.4
69.07069	20.9
69.34327	22.9
71.04983	4.4
71.08636	20.3
72.08967	3.5
73.06548	5.5
79.05492	100.0
81.03425	5.2
81.07050	66.4
83.04974	11.0
83.08620	10.0
85.06536	3.0
85.10178	13.5
86.10532	5.0
89.06023	17.7
91.05478	66.4
93.07040	85.8
95.04964	22.4
95.08601	43.7
95.09169	3.5
97.06521	5.1
97.10168	7.1
98.20708	4.6
101.06046	3.9
105.04501	3.1
105.07021	45.2
107.08582	25.9
109.06504	6.0
109.10155	12.8
111.11735	3.0
113.13195	2.4
115.05493	2.6
117.07014	9.7
118.09471	2.7
119.08581	28.8
121.06443	2.6
121.10133	20.7
123.08070	5.8
123.11687	3.6
127.14774	2.1
128.06250	3.9
129.06999	12.5
131.08557	10.8
131.10727	2.2
133.08591	3.0
133.10149	14.0
135.11667	12.6
143.08546	15.4
145.10136	12.7
147.11673	32.5
149.13261	7.5
149.86023	2.3
157.10158	3.5
159.11711	6.3
161.13239	12.6
167.08490	2.3
169.19481	2.7
171.11678	22.7
173.13268	5.4
177.44687	2.6
185.13199	3.7
187.14973	2.8
189.12827	9.2
207.13783	26.4
261.22180	7.2
263.50800	2.3
312.30005	2.4
449.34360	4.6
468.79181	2.4
494.62088	2.9
506.81958	2.5
523.37537	2.9
541.38855	79.2
541.53479	4.1
542.38861	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01867	3.2
55.05301	2.4
55.05514	26.2
57.03430	4.3
57.07071	7.0
60.26773	2.3
65.03931	5.6
67.05504	87.2
68.94546	2.1
69.03419	3.7
69.07063	25.5
69.54796	19.2
71.05001	3.0
71.08636	3.4
71.44896	2.1
72.21510	2.1
79.05492	100.0
81.03411	9.1
81.07058	84.4
83.04974	12.5
83.08626	9.9
91.05477	76.6
93.06472	5.2
93.07045	87.3
93.07629	4.4
95.04968	26.3
95.08601	57.7
95.09168	4.2
97.06527	4.6
97.10172	3.9
105.07028	56.7
107.04932	4.7
107.08596	35.1
109.06528	5.8
109.10136	15.1
117.07010	14.3
119.08583	42.0
121.06527	4.0
121.10143	30.6
123.08050	6.0
128.06213	2.4
129.06989	16.7
131.08527	15.0
133.10144	18.8
135.11708	10.7
143.08546	14.1
145.10130	16.6
146.97070	2.6
147.08130	3.1
147.11659	40.4
149.13245	3.8
155.08673	3.3
156.09381	3.0
157.10112	3.8
159.11705	9.2
161.09639	4.7
161.13257	15.1
169.10104	3.9
171.11684	29.1
173.13251	7.0
175.14873	2.9
189.12750	9.9
197.13260	2.5
207.13835	22.2
225.14899	4.4
261.22226	3.3
275.04321	2.8
449.34119	4.5
500.33670	2.6
523.38837	2.7
541.38953	76.8
541.52820	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	541.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62373	0.3
61.83251	0.3
62.18850	0.4
66.46138	0.3
68.48349	0.3
69.03423	1.1
69.67107	2.0
70.06586	0.8
71.04998	0.5
81.03421	0.9
81.07044	0.3
84.08131	0.4
85.02876	0.7
93.07039	0.6
95.08572	0.4
97.02888	0.6
97.25431	0.4
111.04478	0.3
113.62856	0.3
118.06516	0.5
119.08537	0.3
123.04464	0.7
124.07616	0.3
127.03876	0.4
157.05144	0.3
159.51584	0.3
160.07634	1.0
161.07950	1.4
170.02740	0.6
177.05473	0.7
185.03915	0.8
186.02248	0.4
189.08827	0.3
231.58354	0.3
295.07672	0.4
325.11664	0.3
335.09488	1.8
357.07492	0.4
409.18033	1.7
491.44098	0.3
523.21655	0.8
541.22546	100.0
542.22839	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	540.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86456	2.5
55.05502	7.4
57.07075	100.0
59.05003	6.8
61.72398	2.2
67.05499	8.3
69.07079	12.3
69.92545	11.8
70.06589	6.0
71.08629	86.0
73.02888	2.7
73.06552	13.6
79.05494	7.3
81.07043	7.5
83.08599	6.2
85.10181	40.1
87.04469	10.8
88.07614	8.9
89.06036	64.7
91.05472	7.7
93.07039	8.4
93.71604	2.6
95.04936	3.0
95.08572	4.1
97.10153	10.9
99.11725	9.6
102.09179	4.3
105.07019	3.7
107.08540	3.8
111.11742	8.4
113.13265	7.3
117.09124	16.5
119.08557	3.9
127.14860	4.9
131.10684	2.6
132.79613	3.1
133.08629	15.4
161.11729	3.9
169.19501	11.1
175.13203	4.3
177.11252	5.3
213.22118	9.6
221.13852	4.1
256.26410	12.3
257.24792	7.5
283.26239	4.3
301.27386	11.8
311.29410	12.0
540.53424	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51675	6.6
55.05505	9.7
67.05492	16.7
69.03414	36.6
69.07072	22.6
70.06593	6.4
71.04066	13.1
79.05519	9.1
81.07061	17.1
83.08617	6.5
85.02910	17.5
85.06548	6.5
85.78082	5.3
87.04467	9.1
91.05466	14.2
92.46626	5.8
93.07048	15.8
95.08596	34.5
97.02888	27.0
102.55697	6.5
105.07060	17.5
106.60085	5.5
107.08620	30.1
109.06521	14.5
109.10159	51.2
115.03933	37.8
119.08601	38.0
119.12816	6.6
121.10130	76.0
123.08075	14.1
123.11735	24.2
125.09646	19.9
127.03912	8.1
133.04980	40.5
133.10161	51.2
135.11702	26.5
137.05923	12.9
137.09593	13.1
137.13234	5.5
139.11171	6.7
140.06966	6.1
141.71306	5.3
145.74515	6.5
147.11691	8.2
149.13269	37.6
175.14838	87.4
177.05437	7.8
186.02234	22.9
193.15874	100.0
239.11835	6.8
267.11273	12.5
295.10760	11.3
313.11792	82.4
314.12277	8.2
325.19965	6.7
327.29971	6.6
357.02856	6.2
540.19678	11.5
541.22510	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	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
69.03419	3.1
71.58844	1.5
79.05413	1.2
81.03411	1.4
84.16628	0.9
85.02902	6.8
86.09694	1.5
91.05482	3.5
97.02899	3.0
98.97589	1.5
105.07029	1.4
107.04978	1.7
107.08623	1.6
109.02888	1.1
110.04591	1.0
115.05447	1.8
119.08569	1.3
121.10149	1.8
128.06206	2.1
129.07004	9.3
131.04945	2.7
131.08540	9.7
133.06503	1.2
137.05969	9.3
141.06969	6.3
145.06496	1.1
149.05984	1.7
151.07524	3.0
157.06543	5.7
158.07288	3.1
159.08069	6.3
160.05174	1.5
161.09557	1.9
163.07552	1.2
167.07100	1.8
169.06506	3.9
170.07275	1.5
174.06764	17.8
175.07564	3.8
177.05510	1.2
186.02182	3.7
186.06749	3.4
188.08272	1.3
189.09109	33.3
189.10747	2.2
190.09377	1.2
191.10660	1.8
201.09109	10.6
207.10091	1.4
214.01814	1.5
219.10153	100.0
220.10454	1.3
281.63358	1.1
313.11575	2.0
331.15500	1.7
424.17816	1.4
436.18600	1.3
443.56174	1.1
496.20474	2.9
540.19489	2.0
545.50311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57465	0.2
53.03939	0.5
55.05507	0.3
56.96494	0.2
69.03409	0.5
69.48006	0.4
69.48425	1.3
74.20353	0.2
77.03918	0.2
79.05493	1.0
81.07030	0.4
84.04464	0.3
85.02888	0.7
87.04488	0.3
87.08897	0.2
91.18806	0.2
93.07028	0.3
94.02924	0.4
95.04964	2.6
95.08604	0.2
97.02911	0.4
99.04467	0.2
105.04469	0.3
105.07066	0.4
107.04954	10.6
107.08553	0.5
110.07128	0.2
112.03963	100.0
113.04315	0.4
119.08580	0.2
121.06514	0.2
121.10126	0.2
133.06445	0.2
134.06906	0.2
135.08051	7.6
152.07062	3.0
246.11259	36.0
247.11501	0.4
326.18991	0.2
408.16510	0.2
525.61584	0.2
540.20752	1.0
540.27954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02370	0.4
52.26958	0.2
53.31455	0.3
55.01864	0.6
55.05501	0.5
57.03433	2.1
59.04993	0.3
61.02937	0.5
65.03938	0.7
67.05495	0.5
67.23002	0.3
69.03433	8.0
70.24537	0.8
70.24947	0.6
73.02926	0.7
75.04491	0.5
78.03442	1.9
78.46035	0.3
81.03442	1.9
81.07059	0.4
83.01381	0.3
83.05000	1.3
83.08621	0.3
85.02428	0.5
85.02908	6.7
87.03994	0.4
87.04475	4.6
90.68817	0.2
91.05458	0.5
94.04179	0.4
95.04945	0.7
95.08587	0.8
96.04494	100.0
97.02895	5.9
97.04865	0.4
98.54140	0.3
99.04465	0.6
102.24010	0.2
105.07040	0.6
107.04976	0.7
109.02882	10.0
110.03606	0.3
111.04425	1.3
115.03938	5.4
121.06538	0.4
123.04418	2.9
123.08092	0.6
123.12768	0.3
125.05926	0.3
127.03912	0.9
131.04906	0.3
133.04961	4.7
133.06502	0.4
136.07614	1.4
137.05977	1.2
141.01482	2.3
142.01822	1.2
145.04999	1.1
147.08015	0.3
151.07542	8.1
163.07573	0.7
169.04967	0.3
179.78322	0.3
196.51270	0.3
217.04750	0.3
246.11261	12.3
265.34567	0.3
408.16516	10.2
457.52527	0.3
540.20947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53007	1.1
53.03949	2.3
55.01868	2.1
65.03925	1.9
70.06590	1.4
75.04482	3.1
78.04722	3.0
79.05499	2.7
81.03457	1.2
84.84686	1.0
85.02905	4.1
89.03921	1.7
91.05485	14.8
93.03403	11.6
93.07037	6.9
95.04972	5.9
97.06530	3.9
97.45998	1.0
102.14923	1.1
103.05453	5.6
105.04559	1.2
105.07035	1.5
106.04172	28.7
107.04990	2.3
109.06538	2.5
111.04445	1.4
117.03448	1.2
121.06501	31.5
123.04459	1.3
125.05996	10.1
131.04933	2.0
134.03654	4.7
135.04424	1.7
137.06012	3.8
138.06769	1.5
139.07536	3.4
145.02806	2.0
148.05220	2.5
149.05978	47.4
151.07504	2.4
153.05508	1.5
153.09099	12.7
155.07191	1.2
158.09096	1.0
163.03954	1.1
163.07561	2.3
167.07048	3.6
177.05469	26.4
181.08615	24.5
185.27992	1.2
186.02209	4.4
191.07094	1.7
209.08093	100.0
210.08411	1.3
223.04272	8.9
343.96030	1.1
452.03699	1.4
492.54395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
55.05509	13.5
57.03420	3.2
57.07076	56.7
59.04982	2.1
65.03931	3.0
67.05504	60.7
69.03441	2.3
69.07063	17.2
70.87716	4.9
70.88057	3.6
71.04993	58.9
71.08632	39.4
79.05498	23.2
79.36944	1.7
81.07058	100.0
83.04974	12.5
83.08629	21.6
85.06544	8.9
85.10198	18.9
89.85766	1.7
90.38930	1.9
90.67015	1.8
91.05477	40.5
93.07041	24.1
93.79767	2.2
95.04971	4.1
95.08052	3.7
95.08609	43.6
97.06512	5.5
97.10186	11.2
99.08091	2.4
99.11732	2.8
105.07029	17.8
107.08598	13.8
109.06538	4.8
109.10157	23.2
109.48670	1.9
111.08102	3.6
117.07015	5.1
121.10158	5.4
123.11713	27.6
131.08560	7.4
133.08534	2.1
133.10127	27.3
135.11678	6.2
137.13278	3.2
149.13298	10.0
151.11172	19.3
151.14824	1.9
159.11668	10.6
167.14394	2.0
177.12782	4.1
178.86760	1.9
183.13792	26.5
187.13295	4.4
195.13792	7.3
213.14900	1.8
239.23691	15.6
269.17560	2.6
283.19171	5.0
285.16974	4.4
339.28955	4.0
341.27167	5.5
495.40491	37.2
500.18188	1.9
527.38116	2.3
539.43073	92.2
540.43188	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	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62186	12.6
55.05500	33.8
55.33049	15.2
57.07068	62.7
67.05508	62.5
69.07053	28.8
70.19615	11.3
70.66369	49.0
71.08616	32.5
75.69950	12.1
79.05493	29.5
81.07043	52.9
83.08611	16.3
85.02924	14.6
85.10165	36.5
91.05473	25.9
93.07045	42.2
95.08603	73.4
97.02915	13.4
97.10148	25.0
105.07022	26.7
107.08595	35.2
109.10137	29.3
111.04399	16.3
119.08581	19.5
121.10152	13.8
135.11691	37.6
145.10071	29.9
163.11208	39.9
181.12224	15.9
209.11761	18.4
227.12691	72.6
231.96053	13.9
239.23730	15.0
283.15485	43.0
313.27368	100.0
407.93295	15.5
448.04309	13.0
521.38367	27.6
539.39050	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66073	5.4
54.75740	5.5
55.01868	7.3
55.05511	30.6
57.03419	7.2
57.06826	7.6
57.07078	74.8
67.05499	69.4
69.07058	22.4
71.08636	53.1
73.02931	7.1
79.05485	46.0
81.03396	14.3
81.07066	61.5
83.04982	14.2
83.08612	34.9
85.10173	32.7
91.05487	26.3
93.07040	47.0
95.04964	12.4
95.08600	69.1
97.02883	6.9
97.06535	13.5
97.10162	18.7
98.20763	9.7
99.04465	5.8
103.05508	6.7
105.07026	10.7
107.04955	15.4
107.08583	28.7
109.02882	9.9
109.10153	25.5
111.04466	18.6
117.07004	19.9
119.08578	11.1
121.06545	8.6
121.10136	22.8
125.13295	7.7
131.08589	9.5
133.10165	10.7
135.11685	35.7
145.10129	27.4
147.11606	5.8
153.12788	7.3
163.11179	50.5
173.09624	10.1
181.12241	15.8
191.10645	14.9
209.11751	33.5
227.12778	100.0
239.23701	17.2
283.15491	32.2
293.20956	6.9
313.27417	56.3
337.08948	6.4
521.38440	37.4
539.39410	60.0
553.31116	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	539.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01863	7.6
55.05507	24.5
57.03423	9.0
57.07075	24.5
59.05007	1.8
67.05503	43.3
69.03435	11.5
69.07058	16.9
71.04985	6.9
71.08634	20.0
71.59140	1.9
73.02924	11.0
77.03976	2.1
79.05486	34.1
81.03409	12.7
81.07052	44.1
83.04976	7.1
83.08605	15.5
85.02901	7.6
85.10177	10.6
91.05479	27.3
93.07043	25.6
95.04970	8.2
95.08605	35.1
97.02914	2.9
97.06546	3.7
97.10182	9.7
99.04446	6.1
99.90460	2.1
101.61066	2.1
103.03894	2.3
105.07036	23.9
107.04984	3.4
107.08579	17.9
109.02875	11.3
109.10156	15.7
110.03622	3.2
111.04443	11.5
117.07018	11.0
119.08598	15.4
121.10153	6.9
123.08045	2.5
123.11721	6.6
125.09626	4.0
127.03921	7.5
128.06233	7.5
129.07039	12.6
131.08572	13.9
132.99527	3.2
133.10120	12.2
135.11679	5.4
141.06979	7.1
142.07892	2.0
143.08594	15.3
145.10109	10.7
147.11696	11.3
151.00632	2.8
153.06972	4.9
154.07750	3.3
155.08554	16.4
155.84549	1.9
157.10114	14.7
159.11732	7.3
161.13246	2.3
163.11172	3.6
167.08594	11.7
168.09309	2.9
169.10138	19.7
171.11707	12.6
173.13213	5.0
178.07780	2.6
179.08649	2.0
181.10086	14.6
183.11674	15.5
185.13255	7.9
191.00131	7.4
193.10167	2.1
193.31770	1.9
195.11696	13.6
197.13283	9.2
199.14883	4.8
207.11765	4.3
207.13771	2.0
209.11697	9.1
209.13356	6.9
211.14911	4.3
213.16429	4.3
221.13283	6.7
223.14836	7.1
225.16336	2.1
227.12828	3.5
228.96547	2.1
235.14838	2.9
237.16391	3.8
239.23640	23.4
249.16466	2.2
259.20581	3.9
277.19714	2.4
283.15216	3.2
313.27258	14.7
315.23120	2.5
339.23422	3.1
387.22192	2.7
391.26273	2.1
405.22937	4.1
429.31491	6.3
447.32584	17.7
465.33606	8.5
483.35236	4.2
503.35995	2.4
521.36389	11.2
527.56354	2.1
539.31573	100.0
539.37878	55.1
540.32050	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	539.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01865	1.0
55.05505	3.0
57.03426	2.4
61.02920	1.6
63.50381	0.8
67.05495	2.8
69.03430	10.0
69.07057	2.4
71.04996	1.3
71.59658	1.8
78.03430	1.7
79.05498	2.6
81.03413	4.5
81.07055	5.8
83.04987	2.3
83.08627	0.9
85.02904	11.7
85.06539	1.8
87.04475	2.8
91.05476	4.5
92.96086	0.9
93.07040	4.3
95.04980	2.0
95.08604	4.3
96.04488	64.5
97.02884	5.6
97.06560	1.7
99.04453	1.4
99.08113	0.9
105.07030	5.0
107.04948	3.2
107.08569	3.0
109.02880	8.8
109.06523	1.3
109.10162	2.7
111.08050	1.5
115.03924	3.3
117.07025	1.7
119.04951	1.2
119.08595	1.5
121.06486	2.9
121.10081	0.9
123.04440	3.1
123.11713	1.1
125.05979	1.1
127.03924	4.4
131.04938	3.7
131.08571	1.1
133.04980	2.9
133.06479	2.2
133.10100	2.2
135.08078	4.1
137.05969	3.3
137.09607	1.1
141.01463	100.0
141.02422	3.5
142.01773	1.9
143.08583	1.0
145.05032	1.1
145.06458	1.9
145.10130	2.8
147.08023	1.7
149.05989	3.1
149.09598	2.5
149.13255	1.5
151.07552	5.8
155.08609	1.1
158.07300	1.1
159.08012	2.5
159.11664	1.5
161.06055	1.0
161.09576	1.7
163.03865	1.0
163.11142	3.2
173.09622	4.0
175.11124	1.2
177.09084	2.6
187.11215	1.7
189.09117	1.2
191.10638	1.9
191.14305	1.1
201.12749	1.9
213.12712	1.0
215.10762	0.9
215.14204	1.0
219.13785	20.1
223.09181	0.8
233.07716	1.1
246.11301	5.6
255.06392	1.1
273.18472	2.0
291.19550	5.2
296.89365	1.0
305.09708	1.9
305.24771	1.2
323.25815	1.4
331.14969	1.5
341.13873	1.0
359.14706	5.3
385.47668	1.0
408.16437	5.8
511.58365	0.9
539.27490	3.2
549.32825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3425
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.05494	10.9
57.03430	10.4
60.26678	5.6
67.05492	20.1
69.03425	48.2
69.07065	25.0
69.39291	5.3
69.39642	57.2
70.06577	8.3
71.04986	7.5
74.67638	7.1
79.05492	8.7
81.03400	19.1
81.07050	59.2
83.04958	8.3
85.02892	48.4
85.06528	17.5
87.00825	6.0
87.04459	16.8
91.05458	16.8
93.07038	22.4
95.04921	12.7
95.08611	49.2
96.04478	100.0
97.02865	31.8
97.06496	8.3
97.10156	9.7
98.97592	7.7
99.04427	10.0
105.07024	12.9
105.83784	5.7
106.09735	6.2
107.08574	22.6
109.02875	23.1
109.10136	19.9
111.08079	12.1
115.03892	16.8
117.58286	6.3
119.08594	14.4
121.06464	8.5
121.10126	22.5
123.04413	17.4
123.11683	24.5
127.03896	19.7
131.08673	7.9
133.04944	16.9
133.06587	6.2
133.10081	12.4
135.11679	11.3
136.07553	19.6
137.05966	12.1
137.13258	8.5
139.11192	7.1
145.04872	6.3
145.10112	16.6
149.13255	23.5
151.07542	19.7
158.11723	11.3
163.03867	6.1
163.14865	9.5
167.07063	6.8
187.11055	9.4
204.12404	6.7
205.15912	7.0
215.10599	6.7
215.24744	6.1
223.16884	11.1
241.18037	16.9
246.11301	50.3
305.24710	21.8
323.25848	34.3
358.31302	6.1
408.16556	29.1
539.28302	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	539.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01877	19.5
55.05300	2.4
55.05513	23.3
57.03438	22.4
57.07076	99.5
59.69722	3.0
61.02903	9.9
67.05499	38.6
69.03077	4.8
69.03429	64.9
69.07066	27.5
69.36117	28.6
71.04965	7.3
71.08630	67.0
72.30913	3.2
73.02917	57.1
75.04478	3.8
77.83765	2.4
79.05479	5.0
81.02988	3.5
81.03421	43.6
81.07054	47.8
83.04971	10.8
83.08618	31.7
84.69125	2.8
85.02908	49.0
85.10179	38.4
86.27987	3.0
87.04462	3.0
91.05479	5.7
93.07037	5.9
95.08607	69.2
97.02875	18.4
97.07895	2.5
97.10185	19.8
99.04443	33.1
100.10611	3.8
105.06997	5.6
107.04940	3.4
107.08572	3.5
109.02883	74.1
109.10162	42.3
110.03645	13.3
111.04443	65.6
111.11734	6.4
117.35957	3.4
121.10141	3.9
123.11703	17.4
125.13274	6.5
127.03919	41.5
132.99559	33.4
135.11679	3.8
137.13235	11.9
139.14876	2.9
151.00594	11.0
151.14807	4.8
167.00185	3.5
172.99054	9.5
191.00114	38.3
209.01149	13.1
209.11710	11.2
221.22661	7.1
227.12697	3.0
239.23686	100.0
257.24701	13.3
265.03796	7.9
313.27362	66.1
406.38681	3.6
539.28809	59.4
539.39032	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	539.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14429	2.5
53.03939	14.3
55.01870	19.5
55.05514	22.9
57.03204	3.0
57.03434	25.0
57.07077	99.9
58.10486	3.1
61.02912	9.5
65.03941	3.6
67.05173	3.7
67.05505	47.2
69.03429	59.9
69.07068	30.1
69.31566	11.9
69.31989	20.2
71.04987	7.9
71.08631	86.9
73.02919	62.4
75.04472	4.5
79.05489	20.1
81.02997	3.0
81.03428	44.6
81.07059	61.3
83.04977	13.1
83.08612	47.7
85.02901	44.1
85.06522	3.3
85.10185	41.4
87.04462	3.4
89.06036	6.5
91.05496	14.3
91.50008	2.9
93.07048	20.6
95.04984	4.1
95.08607	77.7
97.02890	23.1
97.10171	28.4
99.04446	24.0
99.08112	2.8
99.11738	4.0
99.53924	2.6
99.72537	3.1
103.03955	6.2
105.07014	6.7
107.04930	3.1
107.08572	9.2
109.02876	75.9
109.10155	46.2
110.03659	12.5
111.04436	59.4
111.11724	10.3
117.06970	3.4
119.08541	3.9
121.10139	13.9
123.11723	18.6
125.09660	5.7
125.13264	7.7
127.03925	34.3
132.99541	21.5
135.11684	9.6
137.13228	13.0
139.11162	4.5
139.14828	6.7
145.10068	5.2
151.00574	8.6
151.14784	6.4
153.12706	3.3
163.11211	8.5
191.00067	42.8
191.10747	4.4
209.01198	14.8
209.11746	15.9
221.22664	9.3
227.12889	8.0
239.23701	100.0
245.13834	8.8
257.24765	10.7
265.03769	5.7
283.15405	7.1
304.07288	3.2
313.27325	53.4
539.28729	46.4
539.39099	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	537.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35619	2.5
51.91340	2.6
53.00296	8.9
53.03944	2.8
55.01875	5.5
55.05508	34.3
55.63113	2.4
57.07076	65.7
61.72574	2.5
62.70121	3.2
67.05506	48.5
69.07066	15.3
71.01355	4.7
71.08631	50.9
71.51128	3.5
79.05483	19.5
81.03426	5.9
81.07056	59.0
82.02073	2.5
83.04993	3.7
83.08621	34.1
84.57614	2.9
85.10176	24.1
91.05473	34.0
93.07049	19.1
95.04959	7.7
95.08604	51.5
97.02898	8.2
97.06527	3.5
97.10166	9.2
99.00826	27.2
103.05438	4.5
105.07024	28.8
107.04968	10.0
107.08581	12.7
109.02874	10.1
109.06549	5.3
109.10163	30.2
111.08109	4.0
115.03906	6.0
117.07040	4.7
119.08565	17.6
121.06508	8.7
123.08047	3.0
123.11713	12.7
125.13255	2.7
127.03919	6.6
133.10132	46.5
135.08017	3.1
137.13284	6.1
139.07521	3.8
143.08586	6.0
151.11195	17.8
161.09636	30.1
171.07993	4.6
179.10651	20.8
189.09087	17.9
197.11748	6.8
207.10184	8.5
221.65787	2.5
225.11185	24.5
225.35898	3.0
236.63235	3.1
239.23724	10.7
251.59444	3.3
281.13849	7.9
313.27530	2.6
384.42761	2.7
474.88339	3.1
493.09378	3.2
537.37891	100.0
538.38092	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	537.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02912	4.5
54.20876	3.7
55.01861	6.1
55.05504	8.8
56.05014	4.0
57.03425	15.0
58.99584	11.8
61.02925	5.1
64.45606	4.0
67.05495	15.0
69.03429	50.3
69.07072	7.7
70.06589	6.0
70.16799	7.2
70.17177	7.7
70.34971	4.0
71.04998	5.3
76.02231	55.6
77.02554	4.1
79.05495	13.4
81.03424	37.8
81.07059	17.1
83.04990	8.0
83.08633	5.4
84.04514	20.0
84.08123	5.1
85.02912	60.1
85.04002	5.5
87.00832	23.8
87.04468	6.6
91.05453	9.4
93.07033	6.3
95.04979	9.0
95.08586	7.1
96.04495	12.3
97.02898	26.5
97.04832	5.4
97.10097	3.9
98.20862	5.6
99.75415	3.9
105.01855	20.4
105.07011	6.0
107.04929	5.5
108.08128	16.1
109.02892	18.7
115.03934	4.9
116.01672	13.2
117.03391	9.0
119.08529	4.9
120.08932	5.3
123.04444	5.7
125.06002	6.1
126.05510	6.6
127.03941	35.5
130.05019	10.5
135.04390	4.8
136.07585	18.3
137.06004	11.7
140.07047	12.0
142.03247	4.9
144.01181	6.1
145.02853	20.8
149.05992	7.4
150.07591	10.2
152.07053	61.1
152.08133	6.4
153.01817	7.4
154.08633	7.5
157.10149	5.0
162.02226	24.5
163.02551	8.3
164.07059	18.6
171.02919	4.9
176.26074	3.9
177.03296	8.9
177.05490	38.3
178.08624	11.0
179.04822	48.0
180.05139	16.0
182.08128	79.4
182.15222	3.9
183.08527	6.3
189.03949	14.8
192.10172	11.4
193.12297	10.9
194.12672	8.0
195.29977	3.8
206.08125	23.3
211.13286	18.1
212.13702	8.2
220.09814	10.3
231.05042	17.8
233.05946	10.4
234.06256	4.4
248.09192	100.0
263.39276	4.1
289.07178	6.0
308.09027	13.4
308.11880	8.9
309.09167	21.0
334.09225	15.9
352.10245	17.3
370.11288	7.7
373.65079	4.0
375.94489	4.1
408.47772	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05500	0.4
57.03420	0.4
63.02370	0.7
65.67566	0.3
69.03419	1.1
69.07065	0.5
70.06596	1.0
71.14091	0.5
72.46880	0.3
78.04729	0.6
79.05508	0.8
81.03418	1.1
81.07040	0.4
85.02893	1.6
89.03915	8.2
91.05479	1.4
93.07052	0.7
95.04932	0.6
95.08605	0.6
97.02885	1.1
98.06052	0.3
100.36629	0.3
103.05458	0.9
105.07014	0.7
106.04144	0.7
107.08566	0.4
109.02879	0.7
117.03377	23.5
118.03700	0.5
119.04909	0.6
119.07314	0.6
119.08555	0.4
121.06522	0.6
121.10131	0.4
123.04421	0.9
127.03868	0.9
131.04942	0.4
134.03635	1.9
135.04414	2.6
135.06779	0.4
137.05975	2.6
145.02838	53.0
146.03137	0.5
149.05974	7.6
153.07487	0.3
163.03889	1.1
165.05489	0.4
167.05580	0.4
177.05461	100.0
178.05823	1.3
186.05548	1.5
187.07500	0.4
191.38248	0.3
241.81955	0.3
269.12866	0.5
270.11450	0.4
311.39230	0.3
315.13483	1.9
361.13904	2.2
491.18112	0.6
519.76489	0.3
537.18170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	49.6
57.03437	7.4
57.07069	19.4
62.74054	5.1
67.05510	71.6
69.03425	25.8
69.07067	77.7
71.04980	10.9
71.08634	6.8
71.59843	11.7
73.38540	5.1
79.05508	33.2
81.03416	44.5
81.07061	94.1
83.04986	5.6
83.08621	54.2
85.02919	38.0
85.10188	9.9
91.05482	16.2
93.07047	36.3
95.08601	100.0
97.02903	17.3
97.06557	7.4
97.10184	40.6
99.04446	13.1
105.07034	20.0
107.05009	5.6
107.08600	24.9
108.46422	5.1
109.02891	9.3
109.06551	6.6
109.10152	49.3
111.04440	11.1
111.08105	6.0
111.11738	8.7
119.08602	7.9
121.10120	42.7
123.11728	17.4
127.03883	26.1
131.08582	9.1
133.10126	11.9
135.11710	26.2
145.04984	14.9
149.13283	14.5
155.95811	5.3
167.05663	6.1
205.40178	5.3
208.01485	4.9
215.69771	5.4
247.24142	17.9
265.25238	82.4
293.24768	7.5
299.06287	12.0
300.06107	5.3
305.24747	10.7
331.26331	8.4
355.26346	10.5
373.27420	54.0
391.28345	52.4
409.29498	61.2
416.18478	22.6
427.30310	31.0
536.32874	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	536.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.7
67.05482	3.5
69.03424	21.3
69.07062	4.0
69.30745	24.5
70.06592	8.1
79.05496	3.3
81.03426	5.0
81.07058	13.8
83.05024	2.3
84.04517	3.9
85.02905	69.1
87.04485	10.7
91.05502	6.9
93.07040	4.6
95.08616	3.2
97.02892	18.6
105.07014	16.7
107.08590	2.5
109.06547	3.9
109.10174	7.6
110.07160	3.9
115.03937	11.4
117.07014	2.5
119.08566	18.0
120.08115	15.9
121.10150	5.2
123.04443	3.7
123.11706	56.9
125.05964	3.3
131.08534	3.8
133.04976	9.7
133.06494	6.7
137.05949	2.7
139.08055	2.0
140.07083	2.4
142.57198	2.2
145.02829	3.5
145.10115	17.9
147.08063	4.2
147.11674	28.0
149.09648	5.2
152.88879	2.0
156.09395	3.8
165.10258	3.2
167.05615	3.0
171.11769	4.9
175.10742	2.5
177.05397	4.8
189.12749	100.0
207.13792	45.8
225.14857	12.9
276.13605	2.4
299.06122	4.0
437.84915	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	536.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05500	9.5
58.99580	14.3
61.62709	1.8
65.83685	2.2
67.05494	6.1
69.03434	5.5
69.07064	3.0
69.95298	4.1
69.95721	9.2
71.04992	2.3
76.02227	100.0
76.03989	2.5
79.05492	8.3
81.03418	27.9
81.07047	8.7
83.04975	8.3
83.06134	3.3
83.08625	8.0
84.04494	27.0
85.02895	5.2
86.99068	2.9
91.05435	11.8
92.01642	2.9
93.07030	6.0
95.04958	8.6
97.02908	2.7
97.10152	2.8
98.21483	3.9
99.38282	2.1
105.07025	7.0
111.08082	5.7
115.07574	2.2
116.01672	24.5
117.03385	3.4
119.08571	4.3
127.03969	3.3
130.05009	16.8
131.04402	2.5
131.08551	4.1
133.10107	2.6
142.03226	8.9
144.01112	16.8
145.02821	5.7
145.04883	2.0
147.11699	4.2
147.51143	1.9
149.09709	3.6
157.10176	3.4
162.02199	44.9
163.05881	2.5
170.02748	2.9
175.11203	5.1
177.03328	7.9
177.05479	10.6
179.04851	89.6
189.62761	2.2
193.12239	16.7
211.13242	29.4
215.04747	3.5
233.05911	29.5
245.05968	3.4
294.60953	2.3
299.06152	2.8
308.09094	75.3
344.14020	2.1
430.54782	2.8
501.03864	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	535.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34637	0.7
53.03935	1.0
55.01865	0.8
56.35384	0.7
60.44857	0.7
64.15860	0.6
67.05502	1.0
69.03430	3.8
70.06590	1.1
70.24818	2.6
71.04977	0.8
79.05492	2.2
81.03411	2.9
81.07041	1.8
85.02904	6.0
87.00807	2.1
90.84962	0.7
91.05471	4.0
93.07033	4.3
95.04966	1.8
95.08611	1.8
97.02897	1.5
99.04429	1.7
103.05458	3.1
105.07018	2.1
107.04942	2.1
109.02887	2.1
109.10161	1.2
110.52504	0.8
121.06519	6.3
123.04395	1.4
125.77168	0.8
125.97260	0.8
127.03899	3.3
127.85481	0.7
131.04939	1.7
133.06488	5.8
133.10104	1.2
137.05983	2.2
145.04922	0.9
147.04333	1.3
147.11589	0.8
149.05980	100.0
150.06300	1.3
159.02921	0.9
159.11589	0.8
161.06102	0.8
161.13269	0.9
163.03873	1.3
163.21503	0.8
167.07034	40.1
173.05858	1.2
175.07504	2.2
177.05428	0.8
180.90431	0.7
191.06941	1.2
207.06543	0.9
247.05688	0.8
249.36903	0.9
257.08069	1.3
269.11703	10.6
287.12375	0.9
293.11783	1.5
311.12650	1.2
316.99011	0.8
390.18048	0.7
404.49265	0.8
535.26678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03905	0.1
55.01872	0.1
55.05498	0.2
57.27933	0.1
61.02922	0.2
67.01870	0.5
67.05482	0.2
68.99803	0.3
69.03412	0.5
69.07065	0.2
70.06581	0.2
70.39796	0.5
79.05473	0.4
81.03397	0.5
81.07037	0.5
85.02908	0.6
87.00805	0.2
89.03908	0.3
91.05466	0.2
93.07013	0.4
95.04977	0.3
95.08604	0.4
97.02869	0.3
98.29622	0.1
105.07009	0.3
106.65276	0.2
107.04943	0.4
107.08594	0.3
109.02872	0.5
109.06501	0.2
109.10188	0.2
111.08025	0.2
117.03396	0.3
119.08588	0.7
120.08979	0.3
121.06501	0.3
121.10111	0.3
123.04404	0.3
127.03898	0.6
129.01797	0.2
133.10034	0.2
135.04422	1.8
137.02353	0.5
137.05963	0.4
139.11110	0.2
145.10123	0.3
147.04382	0.3
151.03874	0.2
153.01831	5.1
161.02347	0.6
161.05978	0.2
163.03859	0.2
167.07034	0.3
171.02922	0.9
175.03929	0.2
177.05450	0.2
179.03368	0.4
187.07698	0.2
213.05511	0.3
219.06551	0.2
241.04965	0.5
259.06036	0.2
269.04510	0.5
286.04477	0.2
287.05493	100.0
288.05872	1.5
431.18924	1.9
449.10770	0.4
535.10803	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	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.01859	4.6
55.05265	1.5
55.05511	21.2
57.03421	5.2
57.07084	8.3
65.03941	3.5
66.20541	1.4
67.05502	88.7
69.03426	16.5
69.07068	26.4
70.72659	2.8
70.73046	3.1
71.04977	4.3
71.08623	6.1
73.02913	3.2
79.05058	2.7
79.05489	33.7
81.03411	16.2
81.07054	100.0
83.04972	8.0
83.08615	14.9
85.02901	16.4
85.06528	3.2
85.10184	2.2
87.04491	1.7
89.06042	1.7
91.05483	25.2
93.07037	38.8
93.07626	2.0
95.04962	8.9
95.05479	1.5
95.08601	70.9
97.02885	10.7
97.06485	7.3
97.10167	10.6
99.04427	4.2
99.08094	3.3
102.72614	1.4
103.03932	2.4
105.07037	21.9
106.38442	1.5
107.04942	3.4
107.08599	20.1
108.04474	2.4
109.02872	3.0
109.06512	4.1
109.10154	31.0
111.04434	5.0
111.08054	3.0
111.11714	3.1
113.09641	1.9
115.03912	2.0
117.06994	6.8
119.08582	18.2
120.05809	1.5
121.06501	4.1
121.10148	20.2
123.11707	14.9
125.09639	2.8
127.03937	6.7
129.06970	3.5
131.08575	11.5
133.06522	2.1
133.10124	17.5
135.08096	2.0
135.11688	8.3
137.13254	7.3
139.11159	2.3
143.08562	4.1
145.04987	4.0
145.06482	3.7
145.10208	7.3
147.11674	11.2
149.09586	1.5
149.13252	7.7
151.14876	4.0
155.08487	1.5
157.06435	1.6
157.10170	2.1
159.08076	2.6
159.11687	4.7
161.09509	1.7
161.13240	10.8
163.14838	7.3
164.13840	1.4
165.12741	2.9
165.16376	1.9
169.10133	2.6
171.11662	3.6
173.09590	1.7
173.13185	4.4
175.11256	1.4
175.14816	10.6
177.12773	2.2
177.16359	1.7
179.14218	1.6
185.13229	3.1
187.11105	1.8
187.14804	4.1
189.12859	2.6
189.16393	4.3
193.12125	1.3
193.15828	1.9
195.13828	2.1
197.13231	1.8
199.11192	2.0
199.14877	1.9
201.16405	3.6
203.17987	1.8
207.13693	2.1
217.15742	2.1
227.19978	2.7
231.17534	2.0
235.13466	1.7
241.15802	2.6
243.20999	2.2
245.22629	11.7
249.15005	1.5
253.14435	1.7
259.16772	1.9
261.22110	6.1
263.23709	24.6
273.21957	1.8
275.23654	3.0
277.14453	2.5
279.23242	4.1
287.23776	2.4
291.23138	5.3
293.24768	5.9
299.23624	2.2
303.23163	4.2
305.24835	5.8
315.23138	3.2
317.24667	6.1
321.24310	3.1
325.25153	1.9
329.24689	5.3
333.24280	3.3
337.27292	2.4
343.26245	4.7
347.25775	3.2
353.24673	6.8
359.25821	3.3
371.25790	27.5
389.26895	22.2
407.27866	22.9
425.28915	10.2
463.26840	1.3
516.34723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03944	0.9
55.01875	1.5
55.05512	0.8
57.03433	5.3
59.05002	1.3
60.27132	0.3
61.02925	1.2
67.05485	0.4
68.99791	0.4
69.03427	18.7
70.06580	0.5
70.27189	0.3
70.84744	0.7
71.04989	0.8
73.02915	1.2
75.04476	0.7
78.03453	1.1
78.25679	0.3
79.05502	0.4
81.03413	7.0
81.07069	0.4
83.01340	0.4
83.04978	2.2
85.02901	18.4
87.00833	4.7
87.04467	5.5
91.03957	0.4
91.05466	0.6
95.04978	0.7
96.04487	100.0
96.19958	0.3
97.02888	13.1
99.04467	2.7
101.05975	0.6
103.03963	0.4
105.01863	3.9
105.07060	0.5
109.02872	6.2
111.04430	1.7
111.05579	0.3
115.03925	5.8
117.01836	0.6
121.06501	0.4
123.04391	0.5
127.02961	0.5
127.03909	10.4
129.01834	0.9
129.05498	1.8
133.04962	3.2
136.07590	2.7
137.05962	0.7
138.31049	0.3
139.03877	0.9
145.04950	3.7
145.10130	0.5
147.02892	0.5
147.04379	0.4
151.03882	0.8
154.08626	49.4
159.02878	2.8
159.11768	0.4
167.07083	0.4
169.04968	0.4
173.09599	0.3
177.03374	0.3
177.05496	0.7
183.02946	0.3
187.11229	0.5
189.03935	0.4
196.88936	0.4
205.12302	0.6
213.03911	1.1
215.05446	0.6
223.06084	0.5
231.05011	3.5
233.11894	0.4
241.07060	0.4
249.05942	0.5
273.06168	0.5
316.14014	0.4
327.07169	0.6
343.65677	0.3
345.08212	0.5
402.13943	17.5
534.18146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33669	0.4
55.05507	0.5
60.03761	0.4
62.88267	0.4
67.05510	1.2
68.41257	0.4
69.07063	0.9
69.97176	2.5
79.05488	0.9
81.07077	1.0
84.64275	0.4
91.05480	1.0
93.07024	0.8
95.04951	0.5
95.21207	0.5
97.62630	0.4
101.02378	0.4
105.07036	0.6
107.04982	0.5
109.06525	0.4
110.44711	0.5
119.08540	0.4
123.08123	0.6
141.03523	0.4
147.04485	0.6
169.65987	0.4
204.89244	0.4
221.78214	0.5
269.13779	0.6
347.25909	1.5
365.26904	1.5
421.29553	4.9
459.27188	0.6
533.30859	100.0
534.31006	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	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01857	3.5
55.05498	3.4
57.03443	7.1
61.02929	10.3
61.81489	0.9
66.33692	0.9
67.05498	3.3
69.03432	32.0
69.07056	8.7
69.82391	6.2
71.05007	4.4
73.02911	3.5
79.05470	4.1
81.03416	14.9
81.07052	5.1
83.01339	1.3
83.04991	1.0
83.08605	2.3
85.02905	100.0
86.03240	0.9
87.04461	4.1
91.03955	5.6
91.05480	4.5
93.07034	4.3
95.04959	8.2
95.08602	4.8
97.02290	1.9
97.02896	35.8
97.06528	4.7
97.10192	1.3
99.04439	6.2
103.03900	0.9
103.94225	0.9
105.07031	5.9
107.04944	3.5
107.08617	6.4
109.02883	6.4
109.06522	5.1
109.10152	2.7
113.06042	1.0
115.03926	1.0
117.06992	1.0
119.08582	5.8
121.02878	1.0
121.06490	4.0
121.10140	3.7
122.07285	3.3
123.04450	2.4
123.08057	19.9
123.11656	1.4
125.09641	1.1
127.03918	26.4
131.08568	2.2
133.06511	1.9
133.10147	6.7
135.04401	2.1
135.08055	27.9
135.11682	4.7
137.05908	2.3
137.09665	2.5
143.00148	0.9
145.04962	39.4
145.10161	2.4
147.08025	1.3
147.11658	3.2
148.08859	1.2
149.09586	2.3
161.05995	1.3
163.03943	1.2
163.06065	5.3
163.07393	1.2
163.14819	1.6
165.01813	2.0
165.12743	19.5
167.07069	3.0
171.06535	2.3
173.13269	2.2
175.07573	1.2
175.14815	3.4
176.11948	3.5
177.07196	1.0
183.02927	2.1
187.07521	1.0
189.07593	2.3
191.14314	81.9
193.15910	9.7
201.05418	1.7
207.06514	1.3
207.13754	3.4
209.15340	10.0
233.03302	1.0
244.03484	1.0
299.05585	6.6
311.05450	1.1
353.10083	1.9
353.19672	2.7
371.11258	29.1
371.16199	1.4
371.20679	7.5
372.11600	2.2
493.28177	1.2
533.16742	3.5
533.25830	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	533.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12169	0.4
53.03737	0.4
53.03954	3.3
55.01866	3.0
55.05500	1.7
57.03431	3.8
60.22186	0.4
61.02929	2.5
67.05511	2.3
68.99781	2.2
69.03431	17.1
69.03805	0.9
69.07069	2.2
70.11759	1.9
71.04979	2.0
71.25586	0.4
73.02910	2.7
79.05489	3.7
81.03418	14.7
81.07059	4.1
83.04980	0.5
83.08611	0.5
85.02907	33.5
87.00832	12.5
87.04458	0.8
91.03960	1.3
91.05473	4.8
93.07046	5.0
94.29626	0.5
95.04968	1.6
95.08611	3.6
97.02895	10.4
97.10145	0.6
99.04456	6.7
101.02257	0.6
103.03951	0.6
103.05424	0.9
105.01871	7.8
105.07031	12.0
107.04956	24.2
107.08595	9.5
107.09313	0.9
109.02878	13.9
109.06508	3.1
109.10162	2.0
113.31455	0.4
116.06202	0.7
117.01872	2.1
117.07004	1.6
119.08564	2.8
121.06502	4.0
121.10126	1.5
123.08056	1.7
127.03923	24.0
128.06223	0.5
129.01834	2.5
129.06993	1.8
131.04927	1.1
131.08563	3.0
133.06494	49.5
133.10130	3.3
135.08078	1.0
135.11739	0.8
137.09659	0.7
143.08578	0.6
145.04956	6.7
145.06448	2.0
145.10089	1.1
147.02881	1.9
147.08072	3.0
147.10527	0.5
147.11681	9.7
149.09561	1.1
151.11176	1.2
153.12762	0.9
157.06468	2.7
159.02896	7.3
159.08070	1.7
159.11528	0.5
161.09628	0.5
161.13237	0.6
163.14836	0.9
165.12784	1.3
169.06564	0.5
171.08054	1.5
173.09622	1.0
173.13255	1.5
178.75415	0.4
183.08046	0.6
185.09673	0.5
189.04080	1.0
191.14299	3.9
197.09671	0.9
211.01363	0.4
211.11172	1.3
213.03990	1.1
225.12772	0.8
227.14409	0.8
229.12279	1.5
231.04927	3.7
238.43947	0.4
252.32751	0.4
267.17435	3.6
285.18488	100.0
286.18829	1.4
309.18445	1.5
327.19687	2.8
357.18567	0.7
375.19305	0.6
384.41321	0.5
457.61966	0.5
533.23932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01866	4.4
55.05508	1.2
57.03423	2.5
57.19595	0.5
61.02912	2.5
67.05495	3.4
68.99769	2.0
69.03084	1.2
69.03432	17.9
69.07061	2.3
70.84335	1.4
70.84669	0.7
71.04979	2.6
73.02922	3.6
79.05493	5.9
81.03417	16.3
81.07069	5.6
83.08645	0.5
85.02906	35.8
87.00835	11.2
91.03937	0.9
91.05491	4.9
93.07032	4.3
95.04948	2.8
95.08611	4.1
96.76205	0.6
97.02896	9.7
97.06496	0.7
99.04446	6.8
103.03912	0.9
105.01868	7.3
105.07022	12.6
107.04954	28.6
107.08598	10.3
109.02119	0.9
109.02877	15.3
109.06511	2.7
109.10179	1.7
111.08019	0.6
115.05494	0.7
117.01857	1.7
117.07013	1.6
119.08585	3.6
121.06502	3.7
121.10142	2.8
123.08062	2.8
127.03919	22.7
129.01846	2.4
129.07016	0.9
131.04912	1.3
131.08554	2.4
133.06493	50.8
133.10112	2.3
134.06822	0.9
135.08046	1.3
135.11667	0.9
145.04967	8.1
145.06506	1.7
145.10182	1.5
147.02861	1.6
147.04306	1.0
147.08067	1.9
147.11678	9.9
149.05930	0.7
149.09636	1.3
151.11183	1.2
153.12759	1.0
157.06468	2.6
159.02898	6.9
159.06615	0.5
159.08023	2.1
161.09576	1.0
163.14841	1.1
165.12747	1.5
167.08492	0.8
171.08060	1.4
173.09586	1.1
183.08049	1.0
185.09677	0.7
189.04103	0.8
191.14290	4.4
197.09540	1.3
199.11247	1.0
211.11195	1.1
213.04013	1.0
229.12289	1.8
231.04948	4.1
239.14450	0.9
267.17444	3.9
285.18488	100.0
286.18878	2.7
309.18570	1.3
327.19592	3.2
522.05463	0.7
533.23578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59770	2.8
53.03946	11.7
55.01873	4.5
55.05510	28.7
57.03427	10.3
57.03794	2.4
57.07073	5.6
61.02913	4.1
62.57360	2.9
65.03945	4.4
67.05505	92.5
69.03437	24.0
69.07070	30.8
69.44174	28.4
71.01349	3.4
71.04989	6.8
73.02916	5.2
75.41225	2.9
79.05061	5.7
79.05491	80.0
81.03407	22.6
81.07054	92.4
83.04990	8.3
83.08592	16.6
85.02893	24.8
91.05474	54.6
93.07040	100.0
95.04961	14.9
95.08051	5.6
95.08603	65.7
96.28311	3.0
97.02883	14.6
97.06512	4.4
97.10173	5.4
98.21501	6.3
99.04463	6.7
105.07027	50.7
107.04919	4.2
107.08595	53.0
108.04465	4.8
109.02914	5.3
109.06508	7.6
109.10143	28.9
111.04449	7.9
117.07021	24.8
119.08578	35.5
121.06484	4.4
121.10135	44.0
123.04433	2.8
123.11728	12.6
127.03957	5.5
128.06317	2.6
129.06979	12.5
131.08566	37.5
133.06505	3.7
133.10126	35.8
135.08101	5.8
135.11699	30.9
137.09607	4.4
137.13287	3.2
141.06961	6.8
143.08562	11.8
145.04961	5.3
145.06488	5.4
145.10123	29.0
147.11682	24.7
149.09547	5.2
149.13297	18.1
151.07483	3.8
155.08530	7.0
157.10117	11.5
159.11682	30.1
161.13297	14.8
163.14841	10.3
165.10545	2.7
167.08592	4.3
169.10130	5.8
171.08055	4.8
171.11769	14.2
173.13232	26.4
175.11194	3.9
175.14806	6.3
181.10059	5.8
183.07928	3.8
183.11743	5.5
185.09610	4.0
185.13264	11.3
187.14842	8.3
197.13261	4.3
199.14906	3.9
201.16222	3.6
205.15970	3.5
209.13362	3.4
213.16420	3.9
215.14407	4.1
229.16087	3.7
231.17554	3.3
243.21062	10.8
246.38071	3.5
249.14961	3.5
253.19321	3.4
259.20682	7.1
261.22137	47.2
273.22198	5.1
275.23947	3.6
277.21591	8.5
285.21985	4.3
289.21582	5.2
291.23190	7.7
299.16553	4.1
301.21658	5.4
303.23154	13.5
313.21777	3.3
315.23187	11.7
327.23236	6.4
341.24557	4.9
345.24252	5.3
351.23111	9.7
369.24197	27.4
387.25290	15.0
405.26328	27.7
423.27448	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	532.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	5.5
56.96558	1.5
57.03423	0.7
58.06583	2.3
61.02880	0.7
69.03410	2.5
70.06577	2.4
71.04966	1.0
71.05652	1.8
72.08142	3.2
74.06087	3.6
81.03434	1.3
82.06561	2.9
84.04501	2.8
84.08133	1.9
85.02888	2.3
86.09722	3.7
87.04469	1.0
88.07635	5.8
89.03921	2.9
91.05458	2.6
93.07033	0.8
95.04939	1.0
97.02885	2.3
97.08904	0.9
98.09668	2.0
100.07608	1.2
102.05545	87.8
105.01688	0.7
107.04939	0.9
112.07594	1.3
113.07134	0.9
114.09148	4.7
117.03372	9.1
119.04919	3.0
123.04429	0.9
127.03838	1.1
135.04445	2.0
137.05963	2.7
140.07040	1.1
141.30487	0.7
142.08632	6.9
143.08147	3.7
143.11755	0.9
145.02850	27.6
147.04408	3.7
149.05994	3.3
150.05531	0.9
151.07646	0.7
152.07080	1.1
160.09695	100.0
161.05939	1.8
163.03973	1.6
167.07111	1.1
175.03897	2.1
177.05475	35.8
179.07063	1.6
185.12833	1.0
186.02240	1.6
186.05582	0.9
187.07518	0.7
188.01758	1.6
201.05473	2.3
241.17268	0.8
272.12115	0.8
274.12283	0.8
285.07559	0.7
286.14111	1.1
287.05652	0.9
325.10596	1.1
334.12958	2.1
335.13684	7.1
336.14365	1.2
373.12759	1.1
466.22101	2.8
468.22504	2.7
484.19730	11.8
486.21307	4.7
496.19745	3.0
514.20203	1.4
532.21796	55.3
533.22363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01860	0.9
56.33570	0.4
57.03434	2.9
61.02930	3.1
68.25406	0.4
69.03434	9.1
69.03806	0.6
70.12675	1.2
70.13086	0.7
71.04993	1.0
72.08169	0.6
73.02891	1.4
80.04996	0.9
81.03414	3.7
83.01334	0.7
85.02908	33.7
87.04452	0.7
91.03966	1.0
97.02284	0.8
97.02896	13.4
98.03273	0.5
99.04446	2.0
109.02879	4.2
110.35537	0.4
115.03893	0.6
122.06048	0.6
127.03914	7.4
132.42188	0.4
145.04962	8.1
148.05037	2.1
158.69600	0.5
163.03888	0.4
163.06033	0.7
172.39493	0.5
175.03877	0.5
176.04558	70.4
177.04936	0.8
186.02260	2.8
208.07181	100.0
209.07556	0.8
250.07933	0.5
358.05753	0.5
370.12473	9.0
532.17780	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	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04357	4.4
53.03945	8.7
55.01869	16.2
55.05502	19.7
57.03402	5.6
57.07068	27.2
58.99563	5.0
65.03930	6.3
67.05504	100.0
69.07077	33.0
71.04995	5.1
71.08631	30.2
71.60011	6.0
73.02908	18.9
74.02443	3.7
77.00629	12.6
79.05492	62.0
80.47513	4.1
81.03422	8.5
81.07060	94.9
83.04984	14.4
83.08618	20.5
85.06544	10.8
85.10167	16.3
87.04451	11.1
90.63980	4.1
91.05479	64.1
93.07043	64.3
95.04974	16.5
95.08604	50.8
97.06550	8.4
97.10165	9.2
105.00087	90.8
105.07020	65.3
106.69477	4.4
107.08598	58.7
109.06488	10.1
109.10165	73.6
115.98392	4.7
117.07014	12.3
119.08582	15.8
121.10139	23.5
123.01102	8.1
123.08104	5.3
123.11714	12.2
131.08571	20.9
133.10136	93.3
135.11681	19.3
143.08534	5.2
145.10088	10.4
147.11681	6.4
149.13235	11.3
151.11180	42.1
159.11676	9.1
161.13280	6.5
163.11189	7.5
163.14787	6.9
169.12267	11.8
173.13297	7.2
179.14343	5.9
243.21082	6.1
249.41411	4.2
253.14359	95.0
261.22113	26.6
266.01782	4.3
277.08063	4.2
297.31885	5.7
317.24615	7.1
345.20935	7.6
365.54498	4.5
376.76645	4.1
411.09341	5.5
411.32468	5.4
439.32236	5.9
457.33228	5.7
495.83575	4.9
513.35858	15.4
516.27832	4.4
531.37750	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.5
55.01860	10.5
55.05507	23.2
57.03420	4.6
57.07072	18.7
65.03931	7.0
67.05502	88.4
69.03411	3.0
69.07073	31.4
71.04990	7.1
71.08616	18.8
71.59810	2.7
73.02908	11.0
77.00607	8.6
77.08633	2.6
78.82111	2.5
79.05072	3.8
79.05490	66.5
81.03397	6.1
81.06579	5.4
81.07050	84.9
83.04963	9.5
83.08613	11.7
85.06535	7.4
85.10152	6.9
87.04454	12.5
91.05476	70.6
93.07044	70.3
95.04949	11.7
95.08599	34.6
97.06525	7.5
97.10163	9.3
99.08090	3.7
100.75568	3.2
104.99449	4.0
105.00089	50.5
105.07031	67.1
107.08591	59.2
109.06509	10.0
109.10153	81.0
113.06013	3.9
117.07006	8.5
119.08572	17.8
121.10139	21.7
123.01115	5.4
123.07983	3.2
123.11708	15.6
125.09563	2.7
127.07511	3.8
131.08545	18.7
133.10126	100.0
135.11673	21.2
143.08542	4.3
144.14874	2.9
145.10139	9.8
147.11685	8.0
149.13287	11.5
151.11165	59.2
159.11678	8.7
159.71169	3.1
161.13271	5.3
163.11255	4.4
169.12224	11.4
173.13210	8.1
175.14674	3.6
179.14299	4.0
215.12695	4.3
238.06587	2.7
253.14342	76.9
261.22177	21.8
271.15350	4.9
277.21646	3.7
317.24805	5.8
345.20688	4.0
383.71234	2.9
439.31778	4.0
457.33322	6.8
513.35504	8.7
531.37415	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	531.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.4
55.01866	7.9
55.05517	32.0
57.03438	18.1
57.07065	2.9
59.04998	2.5
61.02929	43.0
65.03930	3.0
67.05507	68.1
68.09245	2.3
69.03434	18.4
69.07069	22.8
69.32319	21.7
71.04982	5.3
71.08636	38.4
73.02916	17.5
77.03883	2.3
79.05061	3.7
79.05494	42.3
79.64093	2.3
81.03423	21.1
81.07061	46.0
83.04977	12.5
83.08633	20.0
85.02907	35.9
85.06544	4.9
87.04457	2.3
91.03954	19.1
91.05485	32.9
93.07048	40.4
95.04975	17.5
95.08611	28.3
97.02898	24.6
97.06515	5.8
97.10176	32.0
98.21570	4.5
99.04422	3.6
99.08087	33.0
101.02371	4.0
105.07031	23.1
107.04955	7.2
107.08591	34.2
109.02875	7.1
109.06541	3.7
109.10166	20.5
111.08105	3.1
113.09692	3.0
117.06997	6.6
119.08567	15.7
121.06492	4.7
121.10141	13.1
123.04443	3.4
123.08085	3.2
123.11674	3.7
125.09634	29.4
127.03941	10.4
129.07062	4.4
131.08539	8.1
133.10110	15.5
135.08058	4.7
135.11679	11.0
137.09628	3.6
143.08562	4.9
145.04980	5.0
145.06340	2.2
145.10120	6.2
147.04454	4.8
147.11710	13.5
149.05997	4.2
149.13228	6.9
151.11194	52.0
153.09045	4.4
155.08438	2.4
157.10144	2.6
159.11649	4.4
161.09593	2.8
161.13275	15.3
163.11206	13.9
163.14851	2.7
165.12733	5.9
170.83469	2.1
171.11751	4.0
173.11777	27.8
173.13205	4.4
175.11092	2.2
175.14790	3.8
177.12852	3.3
179.14281	13.6
189.11220	39.5
189.12746	3.9
195.13780	2.9
227.12798	45.6
229.14351	3.4
231.21240	2.4
241.19539	8.7
245.13849	31.5
253.17989	16.3
259.20596	7.4
277.21643	69.0
295.22922	3.5
338.61609	2.4
351.25302	100.0
351.29636	4.9
369.26346	9.9
393.26361	4.0
439.26346	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	531.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.9
55.01880	17.5
55.05508	38.4
57.03437	29.2
57.07071	8.8
57.36978	3.4
59.05007	3.7
59.69337	3.3
60.31783	3.4
61.02923	65.2
64.85326	3.5
65.03939	5.9
67.05167	7.2
67.05502	89.6
69.03432	45.8
69.07071	34.9
69.59116	29.3
71.04989	14.4
71.08622	17.8
73.02909	31.6
79.05489	67.5
81.03414	36.4
81.07056	100.0
81.28887	3.6
83.04990	24.9
83.08613	28.0
85.02901	72.4
85.06535	6.8
91.03953	40.5
91.05476	51.7
93.07043	75.6
95.04966	30.3
95.08608	48.9
97.02893	55.0
97.06524	17.4
97.10188	15.9
99.04484	10.8
99.08099	24.4
101.02385	11.6
103.03936	9.9
105.07021	36.3
107.04955	14.2
107.08588	46.1
109.02885	15.1
109.06519	9.3
109.10169	25.0
111.04420	5.1
111.08070	13.7
116.53226	3.6
117.07028	19.2
119.08566	32.6
121.06506	5.5
121.10132	29.5
123.04518	4.8
123.08078	3.7
123.11709	3.6
125.09640	7.1
127.03916	23.5
129.05493	8.5
129.07022	7.7
131.08578	15.9
133.05031	3.9
133.06415	4.0
133.10139	27.5
135.08151	4.2
135.11723	27.5
139.11205	10.6
141.06985	4.3
143.08568	4.9
145.04970	14.0
145.10167	12.7
147.04439	10.0
147.11696	19.4
149.09598	5.0
149.13278	38.2
151.11186	30.0
157.10149	4.4
159.11708	23.6
161.13269	15.6
163.11227	14.1
165.12793	10.7
171.11650	3.8
173.11771	14.4
173.13171	3.8
175.07539	4.1
177.09087	3.9
177.12775	12.8
179.14334	14.2
183.06526	8.0
185.13264	7.9
189.11237	6.8
195.13838	30.8
197.13324	3.7
210.95834	3.3
213.14850	6.0
227.12805	10.9
229.14420	3.8
235.17239	3.8
241.19514	4.4
242.51173	3.9
253.17990	8.2
259.20544	9.7
269.17477	67.0
269.20175	6.5
277.21631	61.3
295.22522	7.3
351.25333	55.2
358.78528	3.9
369.26303	28.8
413.21524	8.5
531.29510	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	531.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	37.7
57.09266	11.1
67.05502	65.8
71.08628	23.6
71.58700	13.3
71.59115	16.8
79.05486	54.1
81.07053	55.2
83.08622	12.9
91.05479	50.5
93.07028	56.6
95.04973	26.0
95.08582	35.1
99.08093	23.3
105.07040	46.7
107.04967	25.2
107.08599	45.7
109.10162	22.0
111.97363	11.0
119.08581	23.7
121.06471	16.2
121.10113	14.9
122.45757	12.9
123.04333	11.2
123.08106	12.7
131.08597	16.4
133.06483	16.0
133.10168	23.7
135.11743	18.5
147.04376	28.7
149.13295	16.4
161.13275	19.8
169.64958	13.4
179.14333	46.3
277.21597	43.5
312.53659	13.1
349.43179	12.3
351.25311	100.0
351.29141	15.5
372.57004	14.0
459.87625	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	531.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01876	1.3
65.03950	10.4
67.05503	4.5
69.03423	2.3
69.07060	2.5
69.91901	5.5
69.92326	1.9
71.48964	1.2
79.05493	2.9
81.03418	3.0
81.07063	4.5
82.04190	1.3
83.04973	1.6
84.03957	1.2
85.02901	2.7
91.05471	6.3
91.58241	1.3
93.03424	1.7
93.07037	3.2
95.01333	1.8
95.04951	2.7
95.08615	3.1
96.23811	1.4
97.06503	2.6
97.10187	2.5
103.05510	6.4
105.07043	3.6
107.04987	2.3
107.08579	2.9
109.02853	1.3
109.06518	3.2
110.03667	8.9
111.04433	14.1
115.05492	2.4
117.07023	3.6
119.04957	2.5
119.08595	2.6
121.06505	1.5
121.10162	1.4
123.04436	2.7
125.06007	9.6
127.03922	2.3
128.06261	2.2
129.06946	1.8
130.04146	1.9
131.04918	4.5
131.08597	1.8
133.06525	2.8
135.04428	1.5
137.05934	2.5
145.06480	8.0
146.03658	1.5
147.04428	2.8
147.08029	2.8
149.05957	7.5
151.07594	2.2
153.05476	26.7
153.06728	1.6
155.05016	1.8
159.08031	7.2
160.05185	1.5
161.05980	5.8
162.06778	3.8
163.03822	1.9
167.07050	3.1
172.05205	3.3
175.07616	9.7
177.05551	7.0
185.06004	3.1
186.06757	2.7
187.07506	7.2
189.05505	2.5
189.07048	1.7
190.07788	2.3
191.03386	1.6
191.08609	1.9
195.08069	1.8
198.06754	2.7
199.07564	3.6
200.45735	1.2
201.05473	1.8
202.07784	2.1
203.08591	3.6
205.06532	2.4
206.07294	2.4
207.08022	2.3
208.08890	2.0
215.08655	1.7
216.07805	7.4
218.07307	2.7
219.08093	4.7
220.08907	2.5
221.06032	2.6
229.08572	2.0
230.07341	1.6
231.08023	2.7
232.08893	1.9
233.06003	1.6
233.09650	3.4
234.06792	1.7
235.07507	6.6
236.08289	3.3
237.09203	2.6
243.08046	2.0
246.06700	2.0
247.07588	5.5
248.08408	2.6
249.09149	6.9
250.10020	1.7
251.10719	4.5
251.40622	1.3
259.07578	2.6
260.08423	1.9
261.09103	6.5
262.09949	2.2
263.07013	3.1
263.10678	2.2
264.07785	5.5
265.08600	4.4
267.10059	3.9
268.24179	1.2
273.05518	1.6
273.09317	1.5
275.06998	3.1
275.10687	2.4
276.07800	3.7
277.08646	5.7
277.21579	2.1
278.09433	3.8
279.10172	6.8
285.71533	1.3
289.08673	3.7
290.09399	4.1
291.06686	1.4
291.10202	4.9
292.07419	1.9
292.10834	2.2
293.08328	2.6
293.11688	3.3
293.58069	1.3
295.09671	3.2
299.12894	2.6
303.10080	2.8
305.08286	2.7
305.11755	7.7
306.08902	2.7
307.09653	18.1
307.13049	3.4
308.10391	3.0
309.11343	3.9
311.12598	2.5
319.09601	2.2
321.11230	6.9
324.10159	1.7
324.13623	4.4
336.13535	5.1
337.14230	1.6
339.12280	17.1
351.12357	3.9
469.16504	2.2
499.17548	100.0
500.17545	4.4
513.19122	2.3
531.19940	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	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57844	7.7
53.03941	9.4
55.01868	10.3
55.05509	18.3
58.26356	7.0
64.88351	6.9
66.54327	8.1
67.05507	51.9
69.07072	11.9
71.59086	8.2
79.05500	56.9
81.03428	20.3
81.07062	59.7
83.04978	12.6
83.08614	12.8
85.02921	8.4
89.28167	7.0
91.05470	22.1
93.07049	36.7
95.04964	11.6
95.08620	24.4
97.06535	10.9
105.07021	23.3
107.04948	12.8
107.08598	31.8
109.06571	12.3
109.10151	18.0
117.07012	10.3
119.08571	14.7
121.10152	18.5
131.08606	13.0
131.80025	8.1
133.10138	18.1
135.08044	8.9
135.11646	16.8
145.10127	15.0
147.04506	16.9
149.13266	11.3
163.11243	14.9
209.11717	9.7
227.12801	9.7
241.57726	8.0
269.17566	31.6
301.16309	8.3
394.17215	22.1
459.27515	23.2
477.28427	46.1
495.29608	100.0
530.36432	7.8
531.29443	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	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
53.32462	2.4
55.01860	7.5
55.05267	2.7
55.05511	39.6
57.03432	14.4
57.03658	2.4
57.07078	2.8
59.04985	4.6
65.03908	3.1
67.05505	100.0
69.03415	3.7
69.07072	20.0
69.74082	14.5
71.04980	6.5
71.94097	2.5
73.02897	5.7
75.34394	2.0
75.38809	2.3
79.05492	46.0
81.03410	18.3
81.06585	4.9
81.07056	95.9
83.05003	11.7
83.08621	18.5
85.02914	12.8
85.06529	6.2
87.04440	8.1
91.05487	38.0
93.07042	50.7
95.04945	10.4
95.08597	26.5
97.06520	9.9
97.10161	14.8
98.20827	3.6
105.07036	14.7
107.04945	5.9
107.08591	34.1
109.10155	42.3
111.08075	6.9
117.07001	14.0
118.31279	2.2
119.08560	8.5
121.06524	4.2
121.10130	12.3
122.10487	2.5
123.08064	2.8
123.11695	3.4
125.09650	14.9
128.36293	2.5
129.05458	5.2
131.08556	12.1
131.78384	2.4
133.10133	16.8
135.11659	14.4
137.09534	2.4
143.10677	2.4
145.10100	6.7
147.11621	4.6
149.13258	22.2
159.10397	2.2
159.11719	6.6
163.11148	10.1
173.11737	16.6
177.12759	6.7
181.12112	2.5
195.13828	22.7
198.97371	2.8
199.13278	7.5
209.11703	4.2
211.12994	2.5
213.14676	2.5
227.12698	4.8
229.14362	38.9
267.15833	2.7
269.17493	54.6
283.15445	2.3
301.16364	9.7
355.97128	2.4
381.99625	2.5
401.48505	2.2
411.27420	3.9
423.27298	14.5
495.29626	12.7
513.30505	11.9
530.25098	3.0
530.38586	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	530.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.03467	0.3
55.05473	0.3
58.99575	0.6
68.04996	0.8
69.03420	1.7
70.06574	0.5
70.84311	0.8
70.99561	1.0
71.04980	0.7
73.02908	0.4
79.50896	0.2
80.05014	0.3
81.03418	2.2
85.01109	0.7
85.02903	1.6
86.09663	0.3
91.05454	0.3
96.04512	0.4
97.01080	0.4
97.02888	7.9
99.04431	1.1
107.04910	0.2
109.02872	2.9
112.02192	0.7
113.00578	2.1
114.00106	0.9
117.03378	0.3
118.97581	0.3
119.04958	0.3
119.60091	0.3
123.58070	0.3
124.02184	1.3
127.00844	0.5
127.03903	3.3
134.08130	0.8
136.07564	0.3
137.02322	0.7
140.01637	1.2
142.04979	1.2
143.00320	1.2
145.02821	0.9
147.04385	1.0
149.05983	0.3
150.05537	0.3
153.01834	0.3
162.09114	0.3
164.72852	0.3
168.01051	1.4
177.05476	1.4
180.10185	0.3
186.02196	100.0
187.02623	0.7
198.02238	0.3
208.09764	0.4
214.01683	15.8
215.02281	0.3
225.41255	0.3
228.03261	0.7
232.02725	7.7
254.04814	0.4
263.10425	0.3
264.03323	0.6
264.14362	0.3
266.04764	0.7
274.03854	1.8
294.04279	1.4
310.03818	1.1
312.05341	10.0
322.03659	0.4
330.06400	1.4
340.04886	2.9
347.73535	0.3
358.05902	15.8
359.05832	0.4
376.06934	1.6
489.01926	0.3
530.21454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01848	1.2
55.05511	16.3
57.03427	4.4
57.07056	2.6
65.03927	2.3
67.05505	38.4
67.52328	1.3
69.07066	16.9
71.04977	3.4
71.10216	2.8
79.05066	1.6
79.05493	26.8
79.41124	1.3
81.03404	2.4
81.07053	43.9
83.04971	3.2
83.08623	7.1
85.06528	2.7
91.05483	26.2
93.07046	29.9
95.04969	4.9
95.08606	29.1
97.06546	2.4
97.10172	3.6
105.07034	31.3
107.08588	16.7
109.10161	9.7
111.08087	2.0
117.07012	14.5
119.08585	21.6
121.10143	11.7
123.08048	1.1
123.11739	2.9
128.06232	2.3
129.06990	10.6
130.07826	2.2
131.08568	25.7
133.10136	16.1
135.11703	5.7
139.11238	1.4
141.07007	2.9
142.07814	1.6
143.08537	10.2
145.10124	24.5
147.11679	8.1
149.13269	6.3
155.08568	5.4
156.09393	1.4
157.10115	10.1
159.11678	18.1
161.13274	4.8
167.16286	1.3
169.10117	7.3
171.11723	9.7
173.13268	11.5
175.14824	2.3
181.10155	2.8
183.11734	4.2
185.13193	7.0
187.14850	3.4
189.16449	1.6
195.11790	3.2
197.13330	3.3
199.14836	4.7
201.16432	1.9
209.13335	2.8
211.14854	2.1
213.16501	2.2
223.14844	2.3
225.16417	1.6
261.22180	1.8
271.20761	1.4
285.22104	3.0
297.22131	2.0
299.23834	2.6
311.23715	2.5
313.25342	1.5
419.33008	4.8
437.34131	18.8
450.96234	1.8
455.35220	7.1
473.36188	2.0
485.35928	2.1
511.37894	9.1
529.38892	100.0
530.39471	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03951	6.6
55.01861	3.6
55.05514	21.2
56.45009	1.2
57.03428	5.4
57.07057	3.4
65.03929	4.8
66.97151	1.2
67.05502	74.4
68.05817	1.2
69.03436	1.5
69.07068	22.9
70.35064	4.9
71.04993	5.6
71.52992	1.1
73.02943	1.2
77.03922	1.3
79.05489	67.2
81.03407	2.4
81.07054	84.4
83.04990	5.9
83.08615	15.4
85.06544	2.7
90.26683	1.1
91.05479	36.7
93.07040	74.3
95.04962	10.8
95.08608	40.4
96.29568	1.3
97.06512	9.7
97.10154	2.7
99.08066	3.4
105.04511	2.0
105.07025	22.8
107.07870	2.0
107.08589	37.3
107.80837	1.3
109.06528	2.7
109.10134	11.3
111.08081	5.8
111.11755	1.3
117.07013	13.0
119.08578	14.2
121.10133	31.2
123.08080	1.9
123.11707	3.0
129.07031	3.3
131.08563	19.3
133.10115	14.3
135.11682	18.8
136.20981	1.3
139.71176	1.4
143.08565	4.5
145.10124	12.6
147.11681	7.0
149.13258	29.2
151.11217	1.3
157.10155	3.7
159.11662	20.1
161.13283	4.9
171.11722	2.7
173.13274	6.0
175.14841	2.1
177.12813	5.8
181.10095	1.3
183.11699	2.4
185.13303	2.4
185.98648	1.4
187.14825	2.8
195.13905	6.4
199.14920	1.8
243.21292	1.7
261.22070	6.7
299.93738	1.2
311.23376	1.4
317.24658	2.0
331.41791	1.3
373.39929	1.2
419.32953	2.5
437.34091	7.0
441.09152	1.3
455.35333	3.2
511.37656	4.7
516.70392	1.5
529.38867	100.0
530.39117	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13365	1.3
50.44873	1.2
51.60835	1.1
53.03935	6.0
55.01860	4.0
55.05259	2.3
55.05511	25.8
57.03433	6.1
57.07069	5.9
59.05014	1.4
65.03937	4.2
67.05508	88.4
69.03442	1.9
69.06720	2.1
69.07072	30.5
69.85070	7.8
71.04984	4.0
77.03895	1.8
79.05494	67.9
81.03446	3.0
81.07059	91.6
83.04978	6.7
83.08624	17.4
85.06546	3.7
87.04449	3.1
91.05482	42.7
93.07048	86.5
95.04961	13.5
95.08607	45.1
97.06540	12.0
97.10162	3.1
99.08093	2.1
105.04546	1.5
105.07028	31.9
107.08597	41.6
109.06519	3.7
109.10165	14.4
111.08074	6.1
117.07008	14.1
119.08593	17.8
121.10149	34.5
123.08088	2.3
123.11708	4.3
125.09647	1.9
129.07005	4.2
131.08562	23.7
133.10133	17.8
135.08069	2.3
135.11705	17.4
137.09633	1.5
137.13220	1.2
139.11215	1.5
143.08571	5.5
144.41641	1.3
145.10121	14.6
147.11671	8.3
149.13266	32.0
151.15913	1.3
155.08583	3.3
157.10159	8.2
159.11700	18.1
161.13280	4.2
163.14851	2.0
165.12836	1.9
165.43002	1.2
169.10159	3.7
171.11713	6.2
173.13257	8.9
173.42667	1.3
175.11113	1.6
175.14810	2.3
177.12793	5.1
185.13307	4.0
187.14861	4.1
195.11877	1.8
195.13855	5.3
197.13260	1.7
199.14818	2.0
201.16385	2.7
211.14919	2.0
258.17523	1.4
261.22202	4.1
317.24924	1.7
326.71252	1.5
418.63065	1.4
419.33200	2.5
437.34082	8.2
455.35162	3.4
473.36539	2.1
511.37979	4.3
529.38922	100.0
530.39362	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.3
55.01858	10.3
55.05513	42.0
56.96550	12.7
57.03423	17.8
61.02919	16.3
67.05505	47.8
69.03411	21.7
69.07056	24.2
69.47882	20.8
69.48293	47.6
73.02899	11.5
79.05491	43.5
81.03417	36.5
81.07062	74.1
83.04967	13.1
83.08609	14.0
85.02884	22.8
91.05511	47.1
93.07044	40.6
95.04990	16.5
95.08599	35.4
97.02901	15.6
97.06562	9.9
97.10165	14.6
98.20757	16.1
99.08134	13.5
103.03941	8.2
105.03420	8.1
105.07040	29.7
107.04929	15.6
107.08573	26.2
108.43441	7.8
109.02859	10.4
109.10159	25.4
117.07024	12.1
119.08576	29.7
121.06509	7.8
121.10130	9.7
125.09638	10.6
131.08559	15.4
133.10138	21.0
135.11768	11.7
145.10139	14.5
147.04448	18.0
159.11668	11.3
163.11247	10.9
187.07629	9.4
189.11246	9.7
193.12210	8.4
219.87183	8.5
275.20078	30.3
293.21127	100.0
349.16797	9.3
349.23752	32.7
367.17789	19.8
367.24893	17.6
368.18054	8.0
395.66159	8.0
437.25391	14.3
529.30072	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01860	6.4
55.05513	19.2
57.03442	11.5
59.04977	1.9
61.02931	13.8
65.03932	1.7
66.57145	1.4
67.05507	23.3
67.68049	1.4
69.03423	16.3
69.07068	13.5
69.59968	2.2
69.60379	9.9
71.01387	2.0
71.04990	3.9
71.08635	17.2
73.02898	8.6
79.05490	17.3
81.03419	23.7
81.07050	20.3
83.04991	7.3
83.08606	9.5
85.02907	17.9
85.06538	2.0
87.04454	1.7
91.03934	6.8
91.05490	14.2
93.07051	11.5
95.04966	10.5
95.08612	10.0
97.02885	16.1
97.06528	3.9
97.10172	10.9
99.04454	4.5
99.08103	16.0
101.02383	4.1
103.05433	2.1
105.07008	9.6
107.04971	6.4
107.08592	7.7
109.02869	7.8
109.06519	4.7
109.10152	7.9
111.04414	2.8
111.08084	1.9
117.07011	3.7
119.08548	7.3
121.06505	6.6
121.10143	3.5
123.08133	1.9
123.11651	2.0
125.09617	8.7
127.03937	12.5
129.05487	3.9
129.07047	1.5
131.08569	5.3
133.06470	1.9
133.10136	8.0
135.08005	1.6
135.11713	2.3
137.09564	1.9
139.11203	1.5
145.04913	3.2
145.10080	3.0
147.04420	2.8
147.08015	1.8
147.11687	2.7
149.09520	2.1
149.13242	2.1
151.11177	4.9
153.09061	1.7
157.10144	1.6
159.11635	3.3
161.09624	2.3
163.11163	3.3
165.12816	1.7
167.10622	2.5
169.12260	1.6
173.04552	1.5
177.12697	2.7
183.06580	2.3
189.11235	7.3
193.12325	6.9
201.07584	1.6
207.13864	1.9
211.13332	5.2
227.12801	4.2
241.76601	1.4
245.13777	2.5
247.20744	2.0
249.14958	2.6
267.16022	1.7
275.20172	12.5
293.21094	100.0
294.21411	2.6
349.23901	3.5
367.24817	13.8
395.24380	1.9
485.67264	1.7
486.99515	1.8
511.28851	2.1
529.29907	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.0
55.01877	45.7
55.05511	49.4
57.03426	24.3
61.02921	64.8
61.88975	5.7
67.05504	68.4
69.03439	27.0
69.07069	47.4
69.33018	54.1
71.01355	5.3
71.05001	10.3
73.02911	30.0
79.05485	66.1
81.03406	21.2
81.07061	51.2
83.04985	14.1
83.08621	21.1
85.02903	53.4
91.03955	36.3
91.05477	56.4
93.07034	53.3
95.04968	17.3
95.08597	30.3
97.02908	43.7
97.06534	58.5
97.09634	5.6
97.10165	35.9
98.21589	9.0
99.08047	5.2
105.07025	52.0
107.04961	27.4
107.08601	61.2
109.02851	6.6
109.06528	10.6
109.10155	27.3
115.78873	4.5
117.07023	22.2
117.07830	5.1
119.08613	33.3
119.81796	4.4
121.06535	12.9
121.10155	20.6
123.08069	4.5
123.11683	11.3
125.09631	41.4
127.03863	13.8
129.05466	5.4
129.06998	7.3
131.08563	25.6
133.10088	31.5
135.08058	12.3
135.11681	10.3
137.09624	9.3
143.08638	5.8
145.10126	22.6
147.11687	19.9
149.09610	42.1
153.09026	6.3
157.10052	5.6
159.11670	15.9
161.13190	9.2
163.11220	17.5
171.10147	16.9
173.11781	6.1
173.13246	14.0
177.12764	5.7
189.11200	44.2
189.12645	6.9
227.12715	28.5
229.14354	7.9
231.46243	5.6
239.17896	6.8
245.13838	19.3
253.17975	19.3
257.18924	19.7
269.17288	6.2
275.20038	96.9
275.22778	8.4
276.20111	5.5
293.20993	7.7
297.16397	5.4
349.23718	100.0
367.24918	40.4
467.57343	5.9
491.64734	6.2
522.23926	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88073	1.2
53.03938	4.7
55.01858	7.5
55.05508	21.5
56.45776	1.2
56.96534	1.2
57.03436	12.8
57.07072	1.7
57.83629	1.2
59.04988	1.5
61.02927	10.0
67.05498	23.2
69.03063	2.4
69.03423	21.9
69.07060	10.9
71.01317	2.3
71.04977	3.3
71.08623	13.4
71.58645	1.2
71.59106	2.2
73.02904	5.9
79.05490	18.9
81.03413	28.1
81.07056	23.3
81.34840	1.4
83.04964	8.6
83.08622	11.3
85.02901	22.6
87.04450	1.5
89.72715	1.2
91.03947	5.4
91.05476	15.1
93.07054	11.0
95.04961	10.1
95.08600	12.4
97.02883	17.3
97.06512	2.8
97.10173	10.6
99.04443	5.5
99.08087	11.2
101.02355	3.6
103.03926	2.2
105.07015	10.0
107.04963	6.9
107.08583	12.5
109.02857	7.8
109.06503	4.4
109.09481	1.4
109.10133	8.1
111.04436	3.5
111.08062	1.8
117.07006	3.9
119.08571	6.7
121.06483	6.1
121.10155	6.1
123.08047	3.8
123.11697	1.7
125.09602	10.0
127.03905	11.4
128.03796	1.3
129.05466	4.3
129.06995	2.7
131.08583	5.0
133.06470	1.3
133.10147	6.6
135.08026	2.9
135.11710	2.7
137.09608	1.8
145.04976	2.5
145.10121	3.7
147.04373	1.5
147.08018	1.9
147.11674	2.1
147.57257	1.4
149.09605	4.0
151.11148	3.6
157.10132	3.5
159.08134	1.6
163.11192	2.5
165.12781	3.7
167.10678	2.4
173.11819	2.2
173.13206	1.4
175.11119	3.2
177.12747	4.2
179.10713	1.9
183.06511	1.5
183.11751	1.8
189.11244	11.3
191.10710	1.7
191.14435	1.5
193.12216	10.9
205.12010	1.4
211.13319	8.5
223.13307	2.0
227.12770	5.2
229.14293	1.4
235.13348	2.4
243.12241	2.9
245.13808	2.9
247.20641	2.6
249.14819	2.7
258.17258	1.5
265.21545	1.5
267.15933	3.3
273.14825	1.3
275.20032	11.6
293.21088	100.0
294.21436	2.0
319.15143	1.4
328.78433	1.3
335.22357	1.8
349.23660	5.2
367.24747	18.8
429.21915	1.6
522.52887	1.5
529.29858	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.1
55.01876	51.0
55.05307	5.1
55.05512	64.5
57.03429	27.4
58.77208	4.8
61.02921	54.5
67.05502	89.2
69.03427	29.9
69.07068	50.0
70.57494	20.1
71.01367	6.1
71.04986	11.2
73.02900	25.7
79.05493	89.3
81.03413	24.6
81.07050	85.2
83.04980	19.8
83.08623	30.9
83.09040	6.4
85.02895	56.9
91.03947	18.6
91.05479	69.2
93.07050	70.4
94.20895	6.0
95.04979	25.0
95.08604	49.9
97.02887	37.7
97.06522	56.3
97.10171	46.1
99.04433	11.4
101.02380	11.3
105.07030	64.6
107.04945	39.8
107.08582	86.8
109.02888	11.1
109.06499	19.2
109.10136	36.2
111.08076	6.9
117.07010	24.8
119.04942	5.7
119.08566	50.6
121.06533	13.2
121.10156	22.5
123.04417	8.8
123.08053	5.9
123.11718	11.4
125.09606	31.0
127.03876	25.9
131.08566	29.6
133.10138	34.8
135.08034	9.5
135.11707	14.5
137.05994	9.3
137.09685	9.7
137.13242	6.1
143.08543	7.6
145.04996	8.1
145.06468	9.1
145.10132	31.4
146.22765	5.7
147.11722	26.8
149.09624	40.7
155.08453	6.4
159.11710	23.2
161.13297	8.4
163.11148	16.9
169.10063	7.6
171.10165	21.4
171.11572	8.1
173.04523	6.5
173.09555	7.2
173.11795	9.4
173.13254	16.3
175.11086	7.2
177.12688	8.1
179.14307	7.4
183.11688	7.9
187.13275	8.1
189.11215	48.9
191.10794	6.1
227.12720	34.9
229.14204	7.4
239.18004	6.1
245.13838	19.2
253.17970	14.2
257.18988	17.3
269.17593	6.8
275.20068	100.0
293.21149	6.9
349.23706	94.7
367.24765	40.8
511.27930	6.0
529.33942	26.9
557.14478	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	529.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	1.8
55.04253	1.5
67.63376	0.6
69.03414	2.0
70.06580	1.2
71.04946	0.7
71.05868	1.4
72.49126	0.5
80.05013	1.3
81.03426	1.5
81.04541	20.8
82.05312	2.6
85.02899	2.0
89.03891	0.6
89.41688	0.5
91.05438	0.7
97.02908	1.6
109.02883	1.7
114.03758	0.7
119.04957	0.6
122.07152	100.0
123.07938	39.7
127.03906	1.6
135.04370	0.7
137.05928	0.9
144.04843	0.9
147.04402	2.2
160.04306	4.4
163.03935	2.6
165.07724	1.9
177.05554	0.5
185.03868	0.6
281.10666	30.4
306.42841	0.6
323.11603	0.8
324.76447	0.6
350.84961	0.6
397.09848	0.6
443.15863	3.8
485.17001	23.8
486.17227	0.7
529.15906	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	529.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.03474	2.2
55.01866	2.4
56.05033	10.7
58.33265	1.9
61.77131	1.9
67.04247	2.8
68.05023	7.5
69.03436	6.3
70.06595	4.0
71.03002	3.2
72.08163	2.0
73.02908	2.1
74.73008	1.8
80.05013	5.0
81.03412	22.7
85.02912	8.2
91.05482	4.6
92.73689	1.9
95.06107	2.0
97.01086	4.4
97.02874	3.4
97.06498	2.6
98.06010	2.0
99.01396	2.0
103.05477	4.8
105.04514	4.7
109.02908	6.1
111.04443	3.3
115.53357	1.7
115.68012	1.8
119.04971	3.7
119.78604	1.8
120.08095	2.9
122.00625	2.7
124.02171	5.5
127.03896	6.6
128.98615	1.7
129.99582	15.6
130.06482	2.2
131.04935	5.1
134.06032	6.8
138.37051	2.0
139.03221	38.2
139.04108	2.9
147.04428	10.9
148.07584	8.5
149.05898	1.9
150.00122	9.9
152.07050	2.5
156.01115	4.2
163.03906	2.1
167.02811	5.9
167.43779	1.9
168.01155	20.8
170.02704	51.2
174.05542	2.2
178.04984	2.1
179.02789	2.5
183.02277	3.3
184.00659	6.2
185.03795	100.0
186.02179	20.0
196.00623	23.8
205.04364	2.3
209.03806	16.6
211.05318	2.9
212.03856	3.1
214.01653	12.2
221.03804	4.2
227.04852	28.3
227.63841	2.7
228.50853	2.1
231.04213	3.3
232.97421	2.1
234.99152	2.8
255.04399	5.2
256.02823	2.3
259.05206	2.9
273.05380	19.5
275.04922	6.1
277.06393	12.5
293.05939	20.4
294.04108	3.1
295.07474	39.5
311.06912	14.2
321.05322	4.3
329.08066	20.4
331.09509	3.5
339.06412	51.2
357.07507	35.7
358.05902	4.3
359.06552	2.0
375.08557	46.6
379.04626	2.4
443.20126	4.2
512.18774	2.2
529.14648	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	529.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
56.05032	14.7
59.06110	1.5
66.34032	1.3
66.40208	1.3
67.04247	2.6
68.05029	10.9
69.03421	3.2
70.06578	2.7
70.39179	4.3
80.05006	5.0
81.03416	15.1
82.06573	2.7
83.06099	2.5
84.08122	1.3
85.02900	5.1
95.04978	1.7
95.06051	3.0
96.04475	2.4
97.01131	3.9
97.02873	2.4
98.06056	1.9
98.21464	1.6
99.01397	1.4
105.04506	3.4
106.05280	3.1
109.02847	3.2
110.06043	2.0
111.04427	2.5
112.02145	1.8
119.04903	2.5
120.08077	1.7
122.00632	1.7
124.02154	5.8
127.03899	3.7
129.99561	12.0
134.06052	3.8
135.04414	1.8
137.02319	2.4
139.03241	32.0
140.01624	2.1
144.01074	1.7
145.02792	1.9
147.04393	8.1
148.07574	9.3
150.00098	8.9
156.01155	3.5
163.03937	10.3
167.02766	5.5
168.01132	18.4
168.02438	2.0
170.02715	39.8
179.02922	2.1
181.04224	1.4
183.02303	2.1
184.00612	3.9
185.03802	100.0
186.02315	7.8
186.03947	1.8
195.02278	2.6
196.00659	20.7
197.03947	2.5
209.03802	15.1
210.02113	1.9
212.03822	3.2
214.01682	11.6
220.04178	1.5
221.03690	1.8
225.03175	1.7
227.04855	23.0
231.04312	4.0
233.07324	2.0
255.04330	5.8
256.02756	2.9
259.05380	5.1
272.05942	2.4
273.05374	17.4
275.04810	4.8
277.06400	11.4
293.05896	18.4
294.04156	2.1
295.07465	29.4
311.06924	13.0
321.05240	3.2
329.07993	17.4
331.09561	1.4
339.06488	31.8
357.07532	25.1
375.08585	29.8
483.10452	2.3
529.11182	5.0
529.15607	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	528.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59311	0.4
55.01858	0.5
55.05508	0.9
57.03445	0.6
61.02922	1.3
67.05493	1.1
69.03416	0.9
69.07062	0.5
70.06581	0.8
70.19182	2.1
73.02905	1.1
81.03414	0.8
84.08176	0.5
85.02909	1.2
86.09682	0.5
91.05490	2.1
92.05010	3.4
92.05508	0.6
93.05785	0.6
94.06538	1.0
97.02911	1.0
106.06556	1.1
113.09641	0.7
117.05759	0.8
118.05715	0.6
118.06542	12.0
118.07356	0.9
119.07322	1.1
120.08096	1.3
123.79085	0.4
125.05968	0.4
129.06956	0.5
130.06569	1.3
144.08032	0.6
146.06018	1.3
146.09677	0.7
147.06335	0.8
162.09131	12.4
163.09933	2.7
164.10765	0.8
176.10770	0.8
202.15894	3.3
229.14372	0.8
230.15405	23.3
231.38684	0.5
241.47455	0.5
248.16408	1.5
260.44150	0.5
274.17905	0.5
292.19070	41.9
293.19360	1.1
304.19241	1.0
314.90875	0.5
322.20139	0.5
366.22729	8.5
426.10287	0.5
526.49573	0.5
528.28046	100.0
529.28473	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	528.078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27222	0.8
53.03916	1.0
55.05500	2.3
56.01398	50.8
61.59953	0.7
67.05491	4.7
69.07056	2.2
69.59524	5.9
71.16026	0.9
75.04465	4.4
79.05480	3.4
81.03401	3.5
81.07059	4.4
83.08603	2.7
86.95408	1.0
88.03969	1.1
90.03440	1.6
91.05466	1.1
93.07031	3.5
95.04948	2.8
95.08601	3.0
96.37658	1.1
97.02872	1.2
97.10163	1.8
102.04660	1.1
102.05559	1.4
104.05005	6.6
105.07012	2.5
106.02927	1.9
107.08568	1.3
108.83299	0.9
109.10126	2.1
115.05453	2.1
116.06226	1.4
119.08598	1.2
121.10123	1.2
122.99938	2.2
126.04623	1.2
127.04167	5.9
128.06219	4.5
131.08588	2.5
132.04483	6.4
133.03442	1.7
134.02377	12.7
137.01509	3.1
139.90005	1.0
142.06517	1.7
143.08594	0.9
145.10146	1.3
149.01538	5.3
150.01053	14.3
150.05495	2.4
151.04541	1.5
152.00288	2.3
154.04039	1.3
155.06050	3.7
157.10144	1.1
159.11754	1.0
160.05029	2.3
161.01515	1.0
162.01062	25.9
162.02467	1.5
163.03087	3.3
164.00153	1.2
164.02617	2.2
165.03429	1.4
167.02588	7.3
168.02121	78.3
169.02451	1.2
171.11687	0.9
176.00179	1.0
176.02606	1.2
177.03372	2.0
179.02625	5.6
180.02052	6.4
189.02161	12.2
190.00542	37.4
190.04677	6.7
191.03670	1.6
192.02124	0.9
193.12239	1.6
194.03714	1.1
195.02148	6.3
196.01576	6.5
203.01891	100.0
204.00871	3.4
207.02078	3.4
208.01585	6.4
212.75369	0.9
214.07422	4.9
215.04283	1.6
217.01633	16.9
218.04240	45.5
219.03224	6.8
223.01544	15.4
230.99593	2.2
235.02644	2.7
249.04256	32.0
263.02167	5.4
265.03653	2.4
274.97818	1.1
293.03287	6.2
321.22873	3.4
442.18271	0.9
527.37329	5.4
528.06830	0.9
528.37177	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	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
54.21521	1.5
54.74968	1.6
55.01881	3.7
55.05264	2.3
55.05507	26.1
57.03425	3.9
57.07052	1.7
59.04987	2.5
65.03938	1.8
67.05500	39.2
69.03432	3.1
69.07055	10.5
69.59877	5.9
69.60323	5.6
71.04967	1.7
79.05489	31.9
79.28490	1.5
81.03416	34.7
81.07057	36.2
83.04969	4.9
83.08624	18.2
91.05476	27.8
93.07044	34.7
95.04954	14.7
95.08601	22.7
97.06521	1.5
97.10180	8.6
105.07023	26.3
107.04963	4.4
107.08591	16.1
109.06529	3.1
109.10149	15.1
111.08046	4.2
117.07021	13.6
119.08578	20.9
121.06544	1.8
121.10136	14.8
125.09610	9.4
128.06224	2.9
129.06996	13.6
131.08560	20.5
133.06487	2.5
133.10146	11.3
135.08037	2.6
135.11688	8.3
141.06989	5.3
142.07741	3.1
143.08553	8.8
145.10094	14.5
147.11674	8.1
149.09624	2.6
149.13292	5.0
155.08589	7.1
157.10124	12.7
159.11656	10.9
160.69756	1.5
161.13261	3.8
163.11205	2.0
165.12773	1.5
167.08575	1.7
169.10159	6.5
171.10439	1.6
171.11728	9.4
173.13255	7.3
175.11215	3.1
175.14842	3.1
177.12791	2.0
179.08519	1.8
183.11697	6.5
185.13254	5.9
187.14867	3.3
189.11205	6.7
193.12233	16.1
195.11766	3.1
197.13277	3.6
199.14825	3.3
207.11885	1.6
209.13341	3.5
211.14845	4.7
223.14883	4.0
243.21129	2.7
253.79968	1.7
261.22122	4.3
287.20300	1.8
299.23666	2.6
301.25272	3.9
317.24649	2.0
327.23318	2.0
330.93433	1.7
337.25412	2.0
341.24573	1.9
417.31592	3.7
435.32626	11.7
453.33701	12.4
471.34634	6.9
502.50159	1.8
509.36240	5.2
527.37268	100.0
528.37860	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01865	3.6
55.03246	1.6
55.05508	26.8
55.80354	1.5
55.97934	1.6
57.03434	1.9
57.07062	4.2
59.05001	2.7
62.06992	1.6
65.03921	3.6
67.05503	60.7
69.03416	2.6
69.07063	16.0
70.33030	7.1
70.94580	1.7
71.05012	5.0
78.32331	1.6
79.05492	29.8
81.03418	24.3
81.07050	40.3
83.04979	5.3
83.08601	15.5
85.02913	2.0
91.05471	27.9
93.07040	27.1
95.04978	13.8
95.08602	23.8
97.06543	3.4
97.10155	8.6
105.07021	24.8
107.08591	22.7
109.06514	3.0
109.10152	26.1
111.08092	5.2
115.05443	2.6
117.06996	14.3
119.08578	20.7
121.06499	1.8
121.10140	11.9
123.11678	2.5
125.09637	6.4
129.06987	10.3
131.08566	23.3
133.06482	2.0
133.10097	10.9
135.11708	7.8
137.09660	1.8
141.06970	2.7
142.07747	3.3
143.08527	9.1
145.10114	15.2
147.11708	8.5
149.13280	4.6
155.08571	7.5
157.09030	2.5
157.10132	12.5
159.11665	12.8
161.13237	3.6
163.11122	1.9
167.08569	2.1
169.10059	8.6
171.08083	2.2
171.11708	12.0
173.11700	6.0
173.13290	8.2
175.11223	4.7
177.12695	2.0
181.10136	3.2
183.11655	8.4
185.13211	8.6
187.14861	4.6
189.11209	5.9
192.63087	1.6
193.10704	1.9
193.12196	11.9
195.11681	2.8
197.13289	5.6
199.14912	3.8
209.13277	2.7
211.14932	2.0
213.16399	3.2
223.14809	3.0
261.22037	3.1
297.21954	2.0
301.25125	3.1
345.05487	2.0
383.24411	5.6
417.31604	5.7
435.32574	12.6
453.33469	12.6
471.34979	11.2
491.35699	1.8
509.36047	3.5
527.29205	5.4
527.37286	100.0
528.37427	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	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01865	3.3
55.05508	22.3
57.03432	7.1
59.04987	1.6
61.02922	21.9
65.03924	1.7
67.05170	2.1
67.05502	31.2
69.03424	9.0
69.07066	12.6
70.04035	2.0
70.04556	2.8
70.04952	4.2
71.04987	1.7
73.02895	7.1
79.05489	34.4
81.03400	3.3
81.07051	40.7
83.04958	4.3
83.08604	8.4
85.02432	1.8
85.02905	18.8
85.06535	2.2
91.03940	8.2
91.05475	59.3
93.07040	35.4
95.04981	8.5
95.08607	28.3
97.02890	13.0
97.06513	7.7
97.10146	6.2
103.05428	2.7
105.07028	44.7
107.04932	4.3
107.08599	15.9
109.02904	2.4
109.06522	12.5
109.10126	6.3
111.08062	4.7
115.05418	4.2
116.06191	2.7
117.07007	27.7
119.04933	3.6
119.07794	2.2
119.08578	27.9
121.06516	7.0
121.10147	9.3
123.08044	9.4
123.11684	1.7
125.05987	1.5
125.09628	2.7
127.03908	3.3
128.06226	16.9
129.07002	23.2
130.07780	7.5
131.08559	56.3
133.06494	11.1
133.10127	20.0
135.08020	4.4
135.11691	4.7
135.98605	1.4
137.09605	3.1
139.11160	2.2
141.07011	9.5
141.09082	1.4
142.07753	5.3
143.08553	60.2
144.09337	2.2
145.06468	3.6
145.10112	62.6
147.08028	11.0
147.11668	5.3
149.09627	5.4
149.13205	3.7
151.07478	2.1
151.11122	2.9
155.08560	7.6
157.10112	17.5
159.08034	6.2
159.11678	19.1
161.09612	15.1
163.11147	4.1
165.06915	2.5
166.07770	1.9
167.08557	3.9
169.10112	12.5
171.08000	2.4
171.11665	15.0
173.09608	5.1
175.11188	7.3
177.12735	8.5
179.08676	1.5
180.09309	2.0
181.10034	9.8
183.11664	7.3
185.09589	2.1
185.13223	7.9
187.11150	2.2
189.12778	1.5
195.11702	16.3
199.11215	4.7
199.14818	3.0
201.12752	1.7
209.13329	2.8
211.14775	2.6
213.12677	3.8
213.16362	1.9
227.17923	6.1
237.16383	19.9
245.18866	3.2
255.17448	24.9
273.18491	63.0
291.19525	2.3
312.05270	2.6
347.22159	100.0
348.22321	3.4
365.23053	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56298	2.2
53.03936	15.9
55.01878	12.9
55.05509	17.9
57.03433	28.8
61.02923	32.4
62.33202	2.6
65.03931	4.2
65.22095	2.4
67.05504	78.9
69.03429	35.0
69.06776	2.2
69.07065	25.1
69.32095	21.7
71.04995	14.5
73.02916	14.1
73.67603	2.0
76.87874	2.2
77.03938	2.9
77.64520	2.0
79.05489	55.6
81.03414	38.8
81.06585	4.3
81.07051	88.0
83.04982	24.9
83.08603	10.8
85.02898	38.1
85.06527	7.3
91.03967	12.1
91.05478	75.3
93.07040	53.4
93.75871	2.2
95.04971	24.4
95.08598	23.1
97.02888	36.1
97.06524	9.4
97.10123	3.1
99.04420	10.9
99.08089	4.4
101.02370	8.6
103.03913	3.7
105.04525	2.7
105.07024	68.1
107.04947	15.9
107.08588	49.0
109.02872	15.4
109.06541	11.0
109.10151	59.8
111.04434	6.7
111.08044	3.7
115.03918	2.9
117.06999	17.0
119.08572	18.8
121.06473	10.0
121.10130	10.6
123.04477	2.9
123.08053	5.7
123.11678	12.6
125.09638	2.5
127.03928	22.2
127.07579	4.8
129.05469	5.9
129.06970	8.6
131.08569	21.9
133.06482	11.9
133.10124	100.0
135.08073	15.0
135.11682	7.9
137.05972	3.5
137.09644	3.5
141.05424	2.6
143.08575	5.3
145.04953	7.9
145.10080	7.1
147.08031	5.2
147.11655	8.5
148.16920	2.7
149.09619	15.6
151.11168	62.0
153.09253	2.2
155.08598	2.6
157.10101	5.1
159.08080	5.5
159.11682	5.4
161.09599	11.2
161.13286	2.4
163.11157	5.6
169.12215	11.2
171.11678	3.3
171.14038	2.4
173.09529	2.3
173.13248	3.6
175.11119	6.8
177.09074	9.8
179.10655	7.5
183.06517	6.1
185.13322	2.6
189.12723	3.5
191.10664	3.0
193.12280	2.9
197.13345	3.2
211.13382	4.0
213.12708	3.5
215.12691	12.3
227.17824	3.4
230.69298	2.3
233.15245	2.8
245.19196	4.5
251.07220	3.0
253.14355	35.0
255.17482	4.7
269.13876	6.8
271.15347	7.3
273.18423	27.2
285.16852	3.3
291.19522	19.3
347.22287	15.5
365.23215	31.3
405.28680	2.3
415.18927	2.5
459.77081	2.7
527.28516	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
51.56798	0.6
53.03947	4.3
55.01870	9.3
55.05511	27.6
57.03438	15.3
59.04992	2.1
61.00736	0.6
61.02645	1.2
61.02927	17.0
65.03935	1.6
67.05505	33.8
69.03430	28.9
69.07070	27.3
69.75640	0.7
70.07410	0.7
71.01340	2.7
71.04991	5.7
71.59119	0.8
73.02917	11.3
79.01861	0.7
79.05490	34.2
81.02924	1.2
81.03416	30.5
81.07053	31.4
83.04981	8.9
83.08617	13.2
85.02905	25.3
85.06535	1.6
87.04455	2.0
87.77458	0.6
91.03957	8.3
91.05481	21.5
92.05807	0.7
93.07040	22.6
95.04971	14.4
95.08606	12.2
97.02283	1.5
97.02894	27.5
97.06525	5.6
97.10166	16.6
99.04447	6.3
99.08095	1.5
101.02386	6.4
103.03930	3.2
103.05427	0.9
105.07027	15.9
105.07677	1.1
107.04951	8.6
107.08597	17.9
109.02872	9.1
109.06512	4.6
109.09451	1.2
109.10158	11.2
111.04432	3.1
111.08084	5.4
115.03922	1.6
115.05447	2.0
116.06221	1.0
117.07015	10.4
119.04906	1.5
119.08585	16.0
121.02893	1.0
121.06512	6.7
121.10159	7.9
123.04408	2.0
123.08064	8.8
123.11678	1.0
125.05997	0.9
125.08755	1.3
125.09623	19.5
127.03922	11.3
128.06218	1.2
129.05446	2.5
129.06989	5.0
131.04959	1.2
131.08580	8.8
133.06499	3.8
133.10132	8.6
134.07298	1.2
135.04417	1.1
135.08060	5.3
135.11682	3.4
137.05984	1.6
137.09615	3.8
141.06966	0.9
142.07782	1.4
143.00159	0.7
143.08496	4.1
143.10599	0.8
145.04924	3.3
145.06450	1.7
145.10107	7.6
147.08055	9.0
147.11662	3.8
149.05971	1.1
149.09602	3.5
149.13245	2.3
151.07545	1.3
151.11205	1.6
153.07120	0.8
153.09085	2.3
153.12773	1.0
155.08559	1.2
157.10133	4.2
159.08075	1.5
159.11687	4.2
161.06056	0.8
161.09657	3.4
161.13199	1.0
163.11185	4.3
165.09113	3.2
165.12720	1.0
169.10136	1.5
169.12218	0.9
171.10143	2.5
171.11670	2.5
173.04434	1.5
173.09685	1.2
173.11737	2.7
173.13170	1.0
175.11244	4.5
177.09138	1.1
177.12770	2.3
179.10719	1.0
181.12271	1.2
183.06528	2.9
183.11655	1.0
185.13193	1.2
187.11189	1.6
189.09370	1.2
189.11226	13.6
189.12717	1.2
191.10677	0.9
193.12228	8.7
195.13849	1.1
201.07578	0.9
203.17935	0.9
205.12190	3.0
211.13249	7.4
219.13850	0.7
221.11565	1.1
223.13290	19.6
225.11105	0.9
227.12773	4.3
227.17920	1.6
229.14198	1.3
235.13284	2.5
243.12128	0.9
245.13828	1.4
245.18948	2.5
249.14960	2.8
255.17583	1.4
263.16995	0.7
263.20023	2.7
267.15982	2.2
269.13831	1.1
273.15555	0.7
273.18500	20.0
277.14465	0.8
285.16852	1.0
289.18008	1.0
291.19537	100.0
291.79172	0.7
292.19897	2.1
315.19482	0.7
347.22104	4.8
365.23224	23.9
380.59659	0.7
389.23169	0.9
393.22919	1.4
402.98111	0.9
407.24414	1.7
428.01746	0.7
431.24225	0.7
435.23611	1.4
470.17834	0.9
473.24997	0.8
491.26050	0.9
509.27332	2.5
527.28180	15.9
528.28613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.6
55.01871	8.6
55.05300	3.0
55.05510	34.1
57.03436	25.0
61.02922	22.8
65.03933	2.9
67.05167	5.4
67.05502	60.3
69.03123	3.6
69.03436	34.4
69.07071	31.6
70.16025	14.8
71.04990	11.1
73.02911	10.6
79.05495	47.8
81.03415	50.8
81.07057	54.4
83.04990	13.3
83.08632	16.5
85.02906	41.8
85.06551	5.2
87.04447	3.2
91.03941	10.2
91.05473	40.6
93.07047	38.9
95.04985	22.8
95.08622	21.6
97.02887	33.0
97.06532	12.5
97.10185	26.9
99.04446	7.6
101.02388	8.4
103.03949	6.3
105.07018	27.4
107.04960	17.2
107.08585	35.3
109.02882	11.0
109.06517	9.0
109.10159	25.8
109.10854	3.8
111.04437	5.8
111.08102	7.8
115.05482	3.2
117.07022	12.1
119.04930	3.2
119.08572	20.2
121.06529	10.7
121.10149	10.5
123.04443	5.9
123.08071	10.9
123.11752	4.1
125.05970	3.4
125.09628	17.5
127.03932	16.4
127.07537	3.0
129.05476	5.9
129.07018	7.8
131.08598	17.0
133.06516	9.3
133.10121	24.6
135.08060	11.3
135.11659	6.0
137.09616	6.1
137.23529	3.0
143.08607	3.3
145.04979	6.3
145.06540	2.9
145.10139	14.7
147.08044	10.5
147.11676	10.0
149.09639	11.5
151.11194	11.9
153.09079	3.1
157.10085	4.0
159.08063	4.6
159.11639	5.6
161.09596	7.0
163.11156	3.7
165.09132	6.2
171.10257	3.4
171.11636	6.3
173.11777	4.4
175.11189	6.0
177.09068	4.0
177.12689	3.3
187.11098	3.3
189.11241	12.6
191.10562	3.1
193.12190	14.1
203.08180	2.8
203.82858	2.8
205.12300	4.6
209.11684	3.4
211.13329	10.7
223.13290	18.6
227.12769	8.0
245.19072	3.5
253.14331	5.1
263.20026	5.2
273.18433	25.7
291.19540	100.0
347.22134	9.4
365.23291	36.6
527.28253	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	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
57.03434	2.4
61.02917	1.4
64.26591	0.9
67.05495	4.1
69.03429	2.9
69.07058	1.9
69.32595	8.3
69.33011	2.4
71.04996	1.3
79.05497	4.7
81.03400	2.7
81.07047	5.4
81.92030	0.9
83.04972	1.5
83.08638	1.5
83.77206	0.9
85.02904	3.7
85.70384	0.9
88.77725	1.0
91.05495	4.4
93.07049	5.4
95.04961	2.8
95.08614	3.3
97.02888	3.5
97.06528	1.4
97.62428	0.9
103.02492	0.9
105.07029	4.4
107.08607	3.4
109.06522	2.6
109.10143	3.2
111.13980	1.1
117.06985	1.7
119.08585	3.7
121.06484	1.6
121.10143	1.6
123.04389	1.2
123.08069	2.1
125.09608	1.2
127.03933	1.9
131.08546	1.8
133.06438	1.8
133.10118	1.7
135.08061	1.3
135.11664	1.2
143.08598	1.4
145.10156	3.5
149.13245	1.1
155.08549	1.7
157.10208	0.9
159.11662	2.0
163.11263	1.8
173.09589	1.7
185.13290	1.0
187.11232	1.2
191.10628	1.4
212.09229	2.0
215.10628	1.1
227.05168	0.9
243.10254	1.0
245.06392	1.7
251.14719	1.2
261.18277	1.8
273.18573	2.2
279.19415	5.1
289.05341	4.0
317.13223	1.1
347.22253	3.3
365.23248	2.7
408.08914	1.0
423.23608	1.4
441.24597	6.4
465.24557	7.6
483.25656	25.4
509.23523	26.3
527.24603	100.0
527.30859	4.4
528.25256	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	527.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01865	0.7
55.05507	1.1
57.03408	0.6
62.60291	0.5
63.88950	0.5
67.05496	1.7
69.03407	1.6
69.07060	1.4
70.04079	7.1
70.50448	0.6
70.50794	2.0
79.05482	1.7
81.03412	1.3
81.07066	4.2
83.04977	1.0
85.02888	2.2
91.05497	1.9
93.07036	3.0
95.04924	0.8
95.08595	1.8
97.02895	1.6
97.06548	1.0
97.10161	0.6
99.42162	0.6
105.07001	2.2
107.04925	1.3
107.08576	2.5
107.09219	0.5
109.02899	0.6
109.06559	0.7
109.10155	0.9
119.08592	1.6
121.10164	1.7
123.11746	1.0
135.11719	1.3
137.06006	1.2
139.03951	0.6
145.10115	0.8
147.04475	0.6
149.13292	1.0
163.25858	0.5
167.06943	0.7
185.04353	0.6
203.05316	1.1
217.08687	0.8
227.05226	0.8
245.06389	4.6
261.18460	1.3
267.08899	0.9
279.19354	5.5
285.10104	1.2
289.05319	8.5
312.05319	0.9
317.12466	0.8
366.04181	3.4
423.23328	1.5
441.24533	8.0
465.24435	3.9
483.25674	37.9
484.25574	0.8
509.23514	13.1
527.24646	100.0
528.24963	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	527.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11499	0.7
55.05507	0.8
67.05507	1.3
69.03433	1.0
70.42151	0.7
70.42496	2.4
76.77931	0.6
77.08251	0.6
79.05476	1.4
81.03428	1.1
81.07032	3.7
85.02882	1.1
91.05477	1.1
93.07057	1.6
95.04981	1.3
95.08594	0.8
97.02920	1.2
97.06517	1.0
105.07066	1.5
107.08614	2.6
109.10150	0.9
119.08580	1.3
121.10160	1.1
123.11684	0.7
128.47786	0.6
128.95648	0.8
131.08607	1.0
133.06488	0.7
133.10109	1.1
135.30174	0.7
137.05978	1.4
139.03938	0.9
161.09581	0.9
163.11243	0.8
203.05359	1.9
207.51680	0.7
227.05179	0.9
243.04707	5.7
245.06339	6.8
256.67725	0.7
261.18277	2.4
263.19934	4.8
271.04337	1.1
279.19318	13.0
287.03720	39.0
288.04333	0.8
289.05298	58.7
290.05701	0.8
321.19266	1.2
336.00714	0.7
362.48883	0.8
365.23502	0.8
423.23489	0.9
441.24808	2.7
483.25696	18.9
484.26001	1.1
509.23297	1.0
527.24670	100.0
528.25092	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1591
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
53.88515	1.1
57.03447	1.2
62.60984	1.1
69.03425	3.5
71.57542	2.2
74.21762	1.1
75.16728	1.0
81.53839	0.9
82.66969	1.0
85.02908	7.7
97.02885	2.9
107.46468	1.3
120.63788	1.2
127.03925	3.4
145.04926	2.9
163.02649	1.9
184.04956	3.1
185.04172	13.2
187.02786	1.5
193.05362	1.5
203.05302	15.5
205.03935	1.1
245.05069	1.1
247.05002	2.1
266.06439	1.2
274.08218	3.0
274.58383	2.7
275.07550	1.4
347.09387	15.1
365.05783	2.5
365.10556	81.7
527.15851	100.0
528.15991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.2
54.41510	4.4
54.57666	4.3
55.01869	6.1
55.05505	11.5
57.03435	15.7
61.02920	11.2
67.05495	12.6
69.03428	81.5
69.07067	17.6
71.04990	9.1
71.59211	8.3
73.02932	6.3
75.35684	4.1
79.05484	7.7
80.02445	3.9
81.03417	33.2
81.07060	7.7
83.04950	6.8
85.02906	100.0
87.00822	40.1
87.04478	17.7
91.05481	13.2
93.07052	11.4
95.04964	7.5
95.08638	6.6
97.02888	79.4
97.06545	5.0
99.04462	17.8
105.01866	78.6
105.07046	10.7
105.79880	5.0
107.04958	10.2
107.08638	6.7
109.02881	27.2
109.10159	8.5
111.04465	9.9
115.03919	27.6
119.08530	5.5
121.10225	5.5
122.06124	7.1
127.03918	67.0
133.04974	17.4
139.03911	7.2
145.04951	37.8
145.10167	6.1
147.11783	5.8
150.07626	8.2
159.03032	5.6
177.05479	5.8
189.03909	4.9
191.61151	5.1
203.10266	4.8
212.09114	21.7
217.07027	5.7
231.05020	29.9
241.07138	7.7
249.05998	9.3
273.18555	5.6
287.03909	4.8
289.05240	8.1
327.07120	15.4
345.08176	14.6
421.85455	5.7
526.23395	12.7
526.30457	10.1
527.24976	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.6
55.05499	5.5
57.03434	19.0
61.02916	8.6
66.16608	3.8
67.05496	4.9
69.03428	98.1
69.07072	31.8
70.95435	12.0
73.02942	6.5
79.05499	5.0
80.28622	4.8
81.03414	41.4
81.07058	11.0
83.04984	16.1
83.57408	4.8
85.02902	100.0
87.00822	29.4
87.04472	18.5
90.32312	4.6
91.05472	7.7
93.07063	9.0
95.04990	4.5
95.08614	7.9
97.02892	94.3
99.04458	18.4
105.01866	56.7
107.08567	5.0
109.02898	26.7
111.04461	7.4
111.08072	10.4
111.11741	5.5
115.03905	33.1
119.08600	6.1
120.75189	4.4
121.06478	4.8
123.04471	4.9
127.03919	61.6
129.05472	6.7
129.12770	5.9
133.04967	17.0
133.10120	5.2
137.05981	5.5
139.03888	8.7
139.07584	5.4
141.12714	5.0
145.04913	23.6
147.02885	5.3
150.07668	7.1
151.11261	6.4
159.02939	12.3
161.09583	5.8
161.90529	4.9
177.05470	8.3
179.10657	7.0
201.03787	4.4
212.09158	10.3
213.03897	5.2
223.05797	5.1
231.05023	13.0
241.07040	8.1
266.99707	5.5
323.14835	19.9
327.07059	14.5
341.15988	7.2
345.08191	19.2
364.02365	9.9
526.23102	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	525.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	41.7
56.22040	9.4
57.03430	11.3
67.05504	54.6
69.03423	21.4
69.07071	31.0
71.05000	24.3
71.59576	13.4
79.05483	58.2
81.03426	26.9
81.07056	82.7
83.04977	26.4
83.08615	24.2
85.02908	20.5
85.06543	11.9
91.05482	68.3
93.07051	59.7
95.04958	28.7
95.08604	38.0
97.02860	13.1
97.06560	19.8
97.10192	20.5
104.71444	9.3
105.07010	57.4
107.04975	16.3
107.08608	72.9
109.06532	19.6
109.10143	40.1
111.04488	12.4
117.07010	19.5
119.05910	8.9
119.08572	51.4
121.06510	15.6
121.10151	57.7
123.08050	10.5
123.11656	11.5
125.09708	11.2
131.07248	9.3
131.08569	34.9
133.10121	100.0
135.08043	11.9
135.11722	25.9
137.09651	36.0
139.11255	15.2
145.10144	27.1
147.11674	15.6
149.09592	23.8
149.13264	10.6
151.11198	33.0
155.08595	11.4
157.10126	18.5
159.11644	14.1
161.09756	11.8
163.11218	25.8
171.11705	9.6
173.18047	11.6
175.11183	11.1
175.14827	31.8
179.10628	12.8
189.09126	10.2
191.10677	13.9
193.12239	31.2
201.16321	11.0
203.14497	12.7
205.84137	9.3
211.13310	29.1
225.11221	10.7
225.14796	12.8
227.12720	25.2
244.38506	11.6
249.14955	12.2
259.20599	47.3
277.21600	96.1
321.00021	11.7
383.22690	13.8
525.29297	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2309
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05509	1.1
56.69350	0.7
57.03432	1.1
67.05524	1.9
69.03450	1.7
69.07069	2.5
69.63628	6.0
70.06572	0.8
71.04984	0.9
75.18956	1.0
78.23442	0.8
79.05493	2.1
81.03458	0.8
81.07059	3.1
85.02909	1.4
91.05488	2.3
93.07058	2.9
95.04969	1.2
95.08610	3.3
95.13579	0.8
97.02900	1.1
97.06568	1.4
99.04520	1.1
105.07015	1.5
107.08611	1.7
109.10201	2.9
119.08566	1.2
121.06525	1.3
121.10159	0.9
126.71476	0.8
127.03933	1.6
129.07007	1.1
133.10130	1.5
137.06032	1.5
145.10138	1.3
151.03867	1.0
165.09096	5.0
166.09505	2.2
169.04759	1.6
175.26141	0.9
177.08864	0.8
185.04245	1.0
203.05351	1.0
206.09053	0.7
232.78766	0.8
245.06383	3.8
259.16537	4.6
277.17749	8.1
287.03748	1.0
289.05368	4.1
318.69745	1.0
364.02505	1.1
369.18933	2.0
411.19925	1.9
421.21994	1.2
439.23099	6.4
463.23187	3.0
481.24130	29.9
482.24274	1.0
507.21964	7.0
518.57660	0.9
525.23175	100.0
525.30450	20.7
526.23492	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	525.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06025	1.1
55.83781	1.1
56.96575	7.7
58.50343	1.2
69.30389	5.4
69.30816	6.2
98.20684	2.4
98.97587	36.7
116.98622	52.2
134.98628	2.5
134.99652	41.0
153.00719	8.5
158.01329	1.5
192.98863	1.4
219.02019	2.7
225.01585	1.0
232.96646	1.4
234.99881	7.8
235.99936	1.6
240.98807	4.7
241.98950	1.3
242.83937	1.0
250.97844	3.2
253.01161	1.4
258.99808	57.9
260.00076	2.3
261.00095	1.7
261.03067	4.2
262.03369	1.3
274.97604	7.3
275.97818	1.5
276.97919	3.3
277.00858	100.0
278.01044	5.3
279.00824	2.3
282.01434	2.6
282.99933	13.5
284.00064	2.2
285.00006	1.4
292.98880	4.9
294.98880	1.7
298.97974	3.3
300.02444	5.2
301.00983	24.3
302.01187	6.9
303.01019	3.6
316.98901	7.7
317.98932	2.3
318.98624	3.1
319.01910	2.1
338.63409	1.3
340.98892	1.5
343.06027	1.2
359.00330	9.9
359.04291	1.6
360.00479	2.2
364.99088	1.9
376.97363	1.2
382.99765	11.8
401.01038	81.7
402.01169	9.3
403.01306	2.2
416.99033	3.0
419.02567	14.8
424.02594	6.9
425.01627	1.6
440.98517	1.3
441.99164	1.9
442.43988	1.3
443.02252	5.1
459.00192	2.7
460.00351	1.5
469.94913	1.3
483.03244	4.7
506.99957	1.5
514.70532	1.3
525.01251	40.5
526.01227	4.5
542.99585	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	524.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.0
56.94163	7.9
57.03432	11.5
62.06079	11.7
67.05497	16.2
69.03423	21.6
69.07067	20.8
69.62452	24.9
69.62881	40.6
70.06590	8.4
74.58202	9.4
79.05476	12.1
81.03430	9.9
81.07044	32.7
83.08611	13.5
85.02892	33.7
85.97416	7.8
87.04456	10.0
91.05464	15.2
91.12634	7.7
93.07028	35.1
95.08611	70.6
96.08118	9.6
97.02901	33.0
97.06544	13.8
97.10097	9.0
98.20782	10.3
98.60416	8.3
102.88208	8.5
105.07016	23.1
106.06532	32.7
107.04990	11.1
107.08599	74.1
109.10152	18.9
109.14928	8.0
112.03960	21.8
115.03918	16.1
116.07092	18.6
120.08092	16.0
121.06531	15.8
121.10130	98.1
123.04414	12.5
123.11718	33.2
123.86433	8.0
124.07594	10.9
133.04987	19.6
135.11670	23.6
137.05972	18.7
137.13243	31.4
139.03885	11.0
139.11234	14.0
146.06023	11.3
149.13231	10.3
158.99699	11.2
166.08652	17.9
177.05533	8.8
177.16373	100.0
193.08647	14.5
195.17433	37.0
203.06981	10.7
235.16693	8.2
276.08524	10.4
433.96890	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	524.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
57.03436	10.9
59.04998	2.4
60.04514	1.8
61.02932	2.2
69.03426	39.4
73.02929	2.7
75.04476	2.7
81.03413	2.2
85.02900	30.8
87.04468	28.2
95.04943	1.2
97.02889	33.5
97.03523	1.9
99.04456	1.2
101.02296	1.2
107.04938	2.0
109.02864	1.4
111.04449	1.0
115.03924	35.6
117.18211	1.0
125.06036	1.6
127.03900	2.7
131.04875	1.4
133.04964	34.1
135.04398	2.7
136.07631	1.3
137.05832	1.3
139.03908	1.3
145.04965	3.3
150.07611	7.4
151.05994	1.2
153.05460	100.0
154.05818	1.6
159.04445	8.3
162.07724	1.2
163.03922	5.5
165.05461	5.0
165.09073	5.7
167.07097	1.7
169.04982	1.1
177.05464	37.3
180.08685	3.3
186.02151	1.4
191.07053	3.3
193.05035	1.2
195.06526	28.5
205.04922	2.0
207.06558	4.7
213.05518	2.5
213.07567	38.2
219.06522	19.3
229.04959	2.8
231.06526	1.8
237.07588	16.2
249.07587	27.3
261.07547	4.3
279.08737	6.5
291.08658	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	524.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30186	0.4
69.03434	0.7
69.46215	1.4
69.46644	1.8
74.48489	0.4
85.02891	1.7
89.11897	0.4
98.21590	0.5
106.12666	0.4
110.05799	6.6
127.03870	0.7
142.08644	4.4
143.01915	0.8
145.04965	0.5
154.08371	0.5
155.01927	0.7
161.02959	1.1
173.02937	0.5
174.09793	0.7
182.07886	100.0
183.08226	0.7
185.02930	0.8
189.98811	0.4
200.07683	0.9
203.03951	0.5
218.08749	0.5
242.08733	7.1
245.05099	1.4
255.66208	0.4
260.09811	3.1
272.09790	0.4
273.08173	0.5
302.11038	0.5
554.68750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01858	1.2
70.84298	1.3
79.05492	5.1
91.05490	4.1
93.07042	0.5
95.04970	0.6
102.04713	0.5
103.05471	4.1
104.06232	0.8
105.07029	21.5
106.04166	1.0
107.04951	2.2
107.08598	0.7
109.06502	0.6
115.05460	0.8
117.07010	0.7
118.04153	4.2
120.05740	1.1
121.06490	2.4
122.07267	1.0
124.05247	0.7
131.04909	0.7
132.05740	0.7
133.06488	17.4
134.07246	0.6
135.04410	1.8
135.08034	2.7
137.05969	7.6
148.05211	1.1
149.05981	1.8
150.06755	7.6
160.98181	0.5
162.01338	0.9
165.09108	15.9
167.07040	1.5
168.92564	0.5
175.07634	0.7
177.05434	1.1
178.06209	0.9
179.50890	0.5
181.08543	1.1
185.79787	0.6
190.00850	0.5
191.16846	0.4
192.06493	0.5
193.08601	100.0
194.08911	0.9
208.01782	0.5
209.08087	5.8
223.04248	4.7
269.01047	0.5
299.49551	0.5
312.09525	0.5
332.25400	0.5
448.16754	0.6
524.28442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01851	1.9
55.61253	1.0
56.75785	0.9
57.03433	1.6
61.99389	0.9
65.03933	1.4
66.04749	1.5
69.72473	4.9
75.04465	1.7
77.83997	1.0
78.04695	1.8
78.55742	0.8
79.05492	7.3
81.03415	0.9
88.16406	0.8
89.03903	1.3
91.05479	11.6
93.03398	7.1
93.07037	3.5
95.04963	5.6
97.06522	0.8
98.21489	1.0
103.05470	12.6
105.06394	1.3
105.07038	20.4
106.04169	11.2
107.04961	5.7
109.02868	2.2
109.06525	2.5
115.05419	1.3
118.04162	23.9
119.04947	2.8
120.05731	3.2
121.06506	16.4
122.07302	3.1
124.05215	10.5
125.05968	4.2
131.04919	3.1
132.05734	1.9
133.06491	31.1
133.07448	1.9
134.03654	2.2
134.07260	3.2
135.04439	4.7
135.08044	6.5
137.05960	3.8
139.07591	1.7
145.02834	0.9
147.04413	1.1
148.05130	2.2
149.05981	25.4
150.06764	12.8
151.07529	7.0
153.05504	1.0
153.09119	7.5
156.76843	0.9
159.04454	1.2
160.49022	1.0
161.06017	6.6
163.03947	1.8
163.07552	3.5
165.09113	22.8
167.07051	6.1
177.05476	15.5
178.06218	1.0
181.08588	10.1
191.06998	5.1
192.07899	1.1
193.08603	100.0
195.06575	1.5
209.08090	66.2
223.04272	9.9
265.46860	0.9
353.14008	1.4
524.29199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42306	1.2
53.03951	1.8
55.01860	2.2
57.03439	1.9
59.31985	1.3
65.03923	1.8
65.80520	1.1
66.04714	1.4
67.05503	3.5
70.05389	3.6
70.05790	2.5
75.04492	1.7
79.05495	7.5
81.07047	1.8
85.02891	2.8
91.05474	10.3
93.03413	5.8
93.07055	3.7
95.04977	4.2
95.08597	1.5
97.06519	2.1
103.05462	9.7
105.07034	19.3
106.04169	11.5
107.04969	4.3
107.08614	1.9
109.02869	1.4
109.06502	2.5
109.10191	1.3
118.04174	20.9
119.04927	2.3
119.08611	1.3
120.05730	2.4
121.06500	17.6
122.07318	2.9
123.04395	1.4
123.08032	1.8
124.05209	9.2
125.05991	3.7
131.04924	3.9
132.05743	1.6
133.06483	30.5
134.03604	2.6
134.07321	1.6
134.15149	1.3
135.04431	2.6
135.08063	5.1
135.09065	1.6
137.05991	4.2
137.09631	4.4
139.07530	1.5
148.05217	1.8
149.05981	23.3
150.06709	11.3
151.07536	4.5
153.05402	1.3
153.09119	4.8
161.06012	5.2
162.01360	1.5
163.03891	1.5
163.07542	3.3
164.08409	1.3
165.09111	46.7
167.07010	3.4
177.03987	2.2
177.05458	15.9
181.08540	12.7
191.07056	5.0
193.08600	100.0
194.08995	1.5
209.08093	77.4
223.04286	9.1
227.83929	1.2
325.22964	1.5
402.86700	1.5
405.89398	1.4
434.68723	1.3
483.21646	1.3
506.32071	1.7
524.29321	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.05509	17.8
57.03431	6.1
57.07076	40.3
62.40310	1.5
67.05170	2.2
67.05503	29.2
69.03419	1.9
69.07072	12.8
69.84506	5.6
69.84917	2.9
71.04983	4.5
71.08630	32.6
79.05496	15.0
81.03416	43.2
81.07056	34.4
83.04975	5.8
83.08617	27.7
85.02906	20.8
85.10184	13.4
91.05484	17.0
93.07050	11.4
95.04956	17.4
95.08607	30.0
97.02899	1.5
97.06551	2.9
97.10158	8.9
99.11666	1.8
105.07024	18.2
107.04974	3.3
107.08602	3.8
109.06507	2.1
109.10152	14.3
111.04455	1.6
111.08094	8.0
113.06028	2.9
119.08575	10.9
121.10149	5.9
123.11716	6.3
129.07030	5.9
131.08569	5.7
133.10143	5.0
137.09685	2.4
137.13268	2.1
145.10129	1.7
147.08112	1.8
147.11685	9.2
149.09633	2.9
152.55795	1.5
157.10152	5.6
165.12749	2.7
175.11145	11.8
193.12228	50.6
211.13287	53.0
211.15277	2.9
225.08949	8.8
239.23705	7.4
267.15857	3.9
313.27426	4.5
505.38519	2.5
523.39960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68750	2.1
53.03955	2.4
55.01856	2.2
55.05518	17.3
57.03433	10.8
57.07077	59.4
59.04985	2.1
65.03949	2.0
67.05503	37.5
69.03438	2.5
69.07068	18.4
71.04994	4.2
71.08633	38.5
71.51243	3.3
71.51593	2.1
72.08148	2.2
79.05492	25.4
81.03415	53.3
81.07053	44.9
83.04984	10.0
83.08620	34.3
85.02899	26.8
85.10181	23.8
91.05483	23.5
93.07027	15.2
95.04977	24.3
95.08608	41.7
97.06506	2.5
97.10159	12.2
105.07026	21.7
107.04957	4.9
107.08588	5.3
109.06510	5.7
109.10160	19.4
111.08061	11.3
119.08591	19.3
121.10159	10.9
121.27172	2.3
123.08056	3.4
123.11713	8.7
125.09675	2.4
129.06999	10.1
131.08636	10.4
133.06496	2.9
133.10150	9.0
137.13216	2.3
142.07784	3.6
147.08066	3.4
147.11652	16.6
149.09656	7.1
157.10152	9.4
175.11174	16.2
193.12233	66.9
211.13271	58.7
211.15256	2.8
239.23779	5.3
249.14944	2.0
251.19162	2.4
264.66156	2.1
267.15839	12.5
313.27255	18.5
327.86899	2.0
428.37961	2.3
505.38864	5.2
523.31744	4.9
523.39954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	22.0
57.03434	9.8
57.07076	81.8
58.17221	6.1
67.05511	52.5
69.03408	7.5
69.07069	32.1
69.30590	18.9
69.31013	52.3
71.08639	52.7
74.86001	5.8
79.05482	30.3
81.03415	99.4
81.07058	66.6
83.08621	43.5
83.09055	7.1
85.02894	19.6
85.10171	25.4
86.71061	6.4
91.05427	32.5
92.65498	6.5
93.07045	29.9
95.04989	31.4
95.08600	60.1
97.10153	11.0
102.64848	6.7
105.07020	29.6
107.08562	7.9
109.06497	9.4
109.10162	27.6
109.51295	6.2
119.08617	31.6
121.10178	9.2
123.11678	11.8
129.06975	13.7
131.08600	11.8
133.10164	11.8
147.11647	20.9
149.09599	9.5
157.10104	15.8
175.11166	14.8
193.12253	89.0
211.13303	60.1
239.23611	12.0
267.15930	48.3
313.27353	45.4
317.64615	8.0
505.38614	25.1
523.39935	100.0
540.82629	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20910	12.4
55.05504	33.1
57.03440	16.9
57.07059	72.5
59.17575	13.8
63.06498	15.4
67.05499	58.8
69.07087	33.2
71.08611	39.0
79.05457	36.1
81.03413	100.0
81.07047	58.5
83.04959	18.7
83.08614	49.3
85.10172	22.2
86.09702	19.7
91.05447	31.1
95.04956	42.5
95.08617	75.2
97.10154	16.8
100.72083	14.3
104.10738	40.9
105.07043	39.4
109.10159	31.7
119.08540	23.5
133.56548	12.1
141.41583	13.2
147.11732	15.7
157.10219	17.2
158.99409	13.9
175.11162	17.7
184.07333	28.5
193.12241	94.5
210.71722	14.5
211.13383	37.9
219.36960	12.2
219.48363	12.6
228.40105	14.4
239.23708	16.5
248.20055	14.2
267.15924	50.1
312.27029	15.3
313.27332	87.2
450.20160	15.4
505.38724	46.9
523.39819	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79065	5.3
53.03935	6.9
55.01867	8.9
55.05508	77.2
56.92282	5.8
57.03430	12.4
57.07080	12.5
65.48888	5.5
67.05501	100.0
69.03430	8.6
69.07063	25.5
71.08617	12.5
71.59919	9.3
79.05489	59.1
81.07055	96.6
83.04946	7.8
83.08612	53.9
91.05481	34.0
93.07044	57.5
95.04971	9.6
95.08598	71.0
97.10170	87.9
104.21304	5.6
105.07023	28.5
107.08578	51.5
109.10140	35.2
114.88899	6.1
119.08599	12.7
121.10136	23.8
123.11718	14.2
125.09621	73.2
131.08574	14.7
133.10132	12.5
135.08020	7.5
135.11717	25.2
142.81903	6.4
145.10086	7.6
147.11684	9.4
149.13239	7.6
157.10164	8.7
159.11626	8.1
161.13330	9.4
173.13223	10.1
189.11267	63.0
227.12816	61.3
243.21114	11.4
245.13853	91.3
257.58859	6.2
261.22174	59.2
267.15787	6.3
279.23019	10.5
317.24805	14.2
335.25946	41.6
387.15738	6.6
413.30185	9.9
487.35416	6.8
505.35052	12.5
523.39929	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	523.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01881	3.8
55.05511	41.7
57.03438	7.5
57.07072	12.6
66.78753	2.8
67.05501	52.7
68.01768	2.8
69.03427	6.7
69.07063	14.6
69.39832	21.0
69.40244	6.8
71.08619	9.3
79.05484	37.5
81.03409	9.2
81.07059	60.9
83.04978	5.4
83.08622	28.5
85.10162	4.6
91.05473	19.2
93.07047	45.6
94.16116	2.7
95.04989	7.0
95.08598	41.6
97.06525	4.6
97.10151	44.5
105.07024	10.2
107.08585	31.9
109.10168	22.0
117.06982	5.7
119.08564	14.3
121.10111	18.1
123.11704	10.3
125.09618	35.1
128.29192	2.7
131.08572	11.2
133.10139	8.0
135.08096	3.5
135.11696	11.0
136.93138	5.2
137.05969	3.2
137.13309	4.6
145.10143	6.3
147.11694	7.5
149.09561	2.9
149.13239	8.7
154.94164	21.8
159.11700	3.4
161.13284	4.0
163.14792	5.9
169.10178	3.7
171.10139	4.3
172.95238	100.0
173.13242	5.8
177.95764	2.7
187.14813	4.2
189.11226	35.8
190.96289	72.1
193.12315	8.0
195.96848	9.0
196.38443	3.3
203.23720	3.1
208.97362	2.6
209.07961	2.8
210.97836	22.6
213.97830	6.6
214.66982	2.9
227.12746	43.4
228.13155	8.4
228.97807	30.6
229.13298	3.9
243.21161	7.8
245.13803	40.3
246.98915	20.6
251.04515	3.0
261.22141	44.0
267.15909	10.0
279.23074	5.6
285.00833	3.0
313.20551	5.5
313.27426	19.5
317.24750	5.8
331.21521	5.7
335.25754	29.5
369.36844	2.9
449.19705	15.0
467.20758	33.4
487.34296	3.1
505.34467	6.3
508.23682	4.2
523.23492	39.1
523.38708	9.5
524.23804	4.0
541.24438	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	522.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
54.67989	0.4
55.05512	1.3
65.33499	0.3
67.05510	1.8
69.07063	2.3
70.20307	1.9
79.05489	3.0
80.01371	1.6
81.07051	3.9
83.08595	0.6
91.05485	1.1
93.07036	0.8
95.08607	2.8
105.07068	0.6
106.06556	3.1
108.08154	0.4
109.10153	1.3
116.04987	2.0
120.08065	0.4
123.11703	0.3
124.07610	1.2
132.08080	0.5
134.06015	21.6
136.07559	4.1
137.05931	0.5
137.08368	2.0
140.07034	0.4
140.16977	0.4
148.07614	0.8
150.09149	0.9
152.07054	11.8
153.58089	0.3
154.08658	0.9
160.07584	1.3
161.08388	1.1
162.09160	2.1
164.07138	0.6
165.09126	1.4
166.08640	1.3
174.09209	1.6
176.07086	0.9
176.10689	2.5
177.11490	0.4
178.08627	10.0
178.12267	0.5
179.09424	3.6
180.06592	3.8
180.10182	3.5
182.08138	0.6
188.10718	1.8
190.08591	0.8
190.12338	0.8
194.11774	1.0
202.12244	3.4
204.10229	1.6
204.13943	0.6
205.10982	0.5
206.08118	17.7
206.11604	0.9
208.13303	0.5
212.10724	0.6
214.12259	0.5
216.10147	0.6
216.13834	0.6
218.11803	0.8
220.13348	1.0
224.09128	3.7
226.12231	0.5
230.11798	1.2
232.13126	0.5
238.10677	0.9
246.14821	0.6
272.16589	0.5
280.15482	0.8
288.19763	0.7
292.15509	1.1
334.20169	0.5
396.32632	0.9
406.30978	1.2
422.90253	0.4
424.32114	4.1
442.33273	1.2
460.34363	1.1
486.35770	8.8
504.36841	51.4
505.36966	2.0
522.37885	100.0
523.38129	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05040	0.5
57.03415	0.2
58.06606	0.3
58.68647	0.2
60.08161	6.0
67.05485	0.2
69.07072	0.6
70.88522	0.3
71.07374	3.4
79.25467	0.2
81.07074	0.2
83.08620	0.2
86.09703	32.2
98.98464	3.3
99.78926	0.2
104.10743	3.1
109.10219	0.2
121.10137	0.2
125.00001	22.3
135.84943	0.2
143.00999	0.4
184.07335	100.0
185.07639	0.7
258.11011	0.3
288.30670	0.2
339.28717	0.3
504.34186	0.8
522.35504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52752	8.3
55.05485	8.6
67.05502	19.1
69.03404	13.9
69.07056	15.9
69.42692	62.2
69.43102	21.8
71.05004	20.5
79.05500	22.1
81.07050	100.0
83.08633	9.8
85.02894	33.6
91.05476	19.5
93.07063	56.7
93.17765	10.1
95.04993	9.5
95.08639	47.3
97.02852	10.5
98.06065	8.8
105.01859	13.1
105.07025	61.1
107.08595	52.9
109.02962	9.0
109.10153	54.8
117.06949	9.9
119.08571	96.9
121.06508	10.6
121.10134	19.6
123.11753	16.8
127.11187	26.0
133.10133	32.1
135.11681	65.4
137.05994	13.8
147.11678	23.0
153.12698	9.4
162.25435	9.6
189.09016	11.5
190.17313	9.5
203.17928	50.2
221.19012	42.0
242.01125	10.5
325.10187	10.5
360.12552	23.4
522.17004	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	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80733	14.8
55.05487	18.6
59.84626	14.2
61.88066	13.4
63.61209	13.4
69.03410	33.8
69.07062	24.3
70.93240	28.2
79.05496	18.4
81.03398	19.7
81.07051	87.3
85.02897	26.3
91.05486	34.6
93.07036	51.0
95.08598	45.5
97.02850	18.3
105.01843	19.5
105.07021	55.6
107.08600	72.8
109.10156	37.5
119.08607	80.1
121.10143	16.3
123.11692	19.7
127.03948	15.9
127.11206	22.2
127.75080	12.1
132.01404	11.8
133.10136	45.2
135.11702	100.0
147.11687	26.6
153.05515	19.4
161.13193	22.4
165.09050	15.4
203.17992	58.4
213.11649	14.1
221.19000	41.5
259.52765	12.7
343.21524	13.8
401.14316	17.9
523.17798	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	522.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	1.4
55.05509	15.8
57.03434	6.8
57.07062	2.0
60.04504	1.1
60.08155	6.8
67.05502	31.3
69.07069	17.8
69.65652	5.9
71.04967	1.0
71.07362	2.7
71.08638	1.6
79.05489	7.9
81.07054	30.3
83.04948	0.9
83.08614	8.2
86.09703	30.9
87.10023	10.0
88.03985	7.5
91.05480	5.2
93.07040	9.8
95.08054	1.6
95.08607	23.0
97.06517	1.8
97.10146	4.5
98.98468	10.4
102.95744	0.9
104.10745	2.4
105.07018	4.3
105.11073	1.0
107.08624	4.3
109.06400	0.9
109.10147	7.9
119.08565	3.6
121.10110	3.9
123.11655	2.5
125.00000	21.9
126.00333	2.9
127.00442	4.2
133.10110	3.0
135.11653	1.6
135.76144	0.8
137.13329	1.3
147.11685	1.7
163.73613	0.9
184.07339	80.6
185.07689	30.4
186.07791	23.4
245.22754	1.0
263.23663	1.9
294.21567	1.0
337.27356	100.0
338.27667	3.9
350.27020	2.7
423.36499	0.9
482.93802	1.0
522.34418	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	522.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01866	1.0
55.05506	1.1
57.03433	2.0
61.02914	0.8
68.05016	0.7
69.03428	5.9
70.06593	1.3
71.59010	1.1
79.05505	5.2
79.13759	0.7
80.05023	1.3
81.03418	3.2
81.05805	3.6
81.07048	5.5
85.02441	0.6
85.02916	7.5
86.06052	1.4
87.00819	1.5
87.04481	1.5
89.03943	1.4
94.06537	1.2
95.04951	0.9
96.04491	3.2
96.08128	10.7
97.02892	5.2
103.63154	0.6
105.01855	1.5
106.06520	1.3
107.04955	1.3
109.02888	2.1
111.04449	1.2
112.07600	2.7
115.03924	1.5
117.03389	1.1
123.04459	0.9
124.07595	100.0
127.03941	4.3
127.26058	0.6
130.06540	1.0
131.04996	0.8
135.04414	2.5
136.07570	0.9
138.05458	0.6
142.08640	49.1
145.02838	1.2
145.04962	1.3
147.04414	0.7
155.92870	0.7
157.07632	1.9
159.02979	0.8
161.01212	0.8
163.03906	11.7
164.04256	2.1
177.00650	0.8
184.09613	0.7
189.04291	0.7
191.07047	1.1
207.05389	0.6
208.09711	2.2
231.04971	1.2
256.10934	1.7
390.13980	12.6
403.40918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01867	2.9
55.05512	10.9
56.61556	0.9
57.03429	1.7
57.07078	27.3
67.05503	23.0
69.03432	1.0
69.07073	12.5
69.47055	3.5
69.47482	3.4
71.05000	2.3
71.08635	17.5
71.45142	0.7
73.02921	1.3
78.18143	0.9
79.05492	23.8
81.03414	1.9
81.07058	26.2
83.04990	3.6
83.08620	13.9
85.06563	0.8
85.10190	10.0
91.05473	9.0
93.07047	33.9
93.07635	2.0
95.04976	6.8
95.08608	45.1
97.02888	3.5
97.06543	2.4
97.10168	4.8
98.21618	0.8
99.04443	3.3
103.05458	1.1
105.07043	7.8
107.04957	8.2
107.08600	24.0
107.34772	0.8
109.06544	2.3
109.10149	9.5
112.79726	0.8
117.07021	8.4
119.08596	7.7
121.06496	4.8
121.10136	10.8
123.11717	2.9
125.06025	1.9
129.07068	1.0
130.07787	1.3
133.10146	3.3
135.08089	2.1
135.11687	36.5
137.13290	1.2
145.10127	24.2
163.11180	49.4
164.11612	1.0
181.12216	11.7
181.13693	1.1
202.94127	1.0
209.11848	2.5
219.96106	0.9
221.22459	0.9
227.12782	100.0
228.13213	1.7
239.23717	3.9
302.77759	0.9
521.38440	42.5
522.38654	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59206	1.1
51.51154	1.0
53.03935	2.3
55.01873	2.1
55.05512	12.1
57.07072	29.7
67.05502	24.5
69.03410	1.5
69.07066	9.7
69.27724	4.7
69.28158	8.4
71.04992	1.8
71.08627	16.8
73.77568	1.2
79.05058	2.1
79.05489	25.3
80.15515	1.1
81.03413	2.5
81.07052	30.4
83.04956	3.1
83.08609	14.3
85.10181	11.3
88.15316	1.2
91.05476	6.4
93.07039	29.9
95.04986	5.7
95.08600	45.1
97.02888	4.1
97.06545	2.1
97.10167	4.0
99.04459	2.8
105.07021	6.2
107.04958	7.8
107.08595	23.2
109.06516	1.2
109.10149	9.0
111.04405	1.8
111.08070	1.3
117.07016	7.7
119.08599	9.1
121.06537	6.6
121.10136	10.0
123.11725	3.6
125.06019	3.3
131.08469	1.3
133.10135	3.0
135.08058	2.3
135.11682	41.2
137.13269	2.0
139.07553	1.5
143.08522	1.4
145.10104	23.8
163.11169	54.2
163.12546	2.7
167.88171	1.3
181.12215	13.2
187.29630	1.0
195.95676	1.0
196.46725	1.0
209.11726	2.8
227.12770	100.0
228.13280	2.0
230.64555	1.3
239.23726	2.7
387.33847	1.4
501.78055	1.3
521.38379	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01873	3.6
55.05513	15.4
56.68894	0.8
57.03436	2.8
57.07077	29.7
65.03935	1.8
67.05507	28.3
69.03419	1.1
69.07069	12.2
69.33218	4.4
69.33646	4.1
71.04991	2.8
71.08238	1.0
71.08630	19.4
73.02921	0.9
75.03711	0.8
77.03901	0.8
79.05497	25.9
81.03423	1.9
81.07056	30.5
81.21883	0.7
83.04996	3.4
83.08624	14.9
84.00447	0.9
85.02898	1.0
85.06554	1.5
85.10182	10.9
91.05466	10.0
91.05930	0.8
93.07044	35.9
95.04990	7.6
95.08607	50.3
97.02910	3.0
97.06548	3.8
97.10172	4.4
99.04457	3.6
99.08080	1.3
103.05489	1.0
105.07041	6.7
105.84822	0.9
107.04949	9.2
107.08596	27.4
108.56973	0.8
109.06532	2.4
109.10152	15.1
109.10837	1.3
111.04456	2.0
111.08101	0.9
111.11743	1.9
117.07003	9.6
119.08572	8.9
121.06493	6.2
121.10145	11.8
123.11733	2.9
125.06036	1.9
130.07808	2.9
131.08627	1.0
133.10155	3.6
135.08086	1.8
135.11691	39.6
137.13254	1.2
139.07547	0.9
139.11206	1.0
143.08624	0.9
145.10118	23.8
147.11629	0.9
150.24216	0.9
153.12788	1.1
163.11188	56.0
181.12212	13.1
191.10710	1.2
209.11760	3.5
227.12785	100.0
228.13066	1.8
239.23785	2.4
293.21027	5.2
313.27481	1.0
521.38507	51.9
522.38934	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
55.05509	14.0
57.07076	28.4
65.03948	2.3
66.31416	1.4
66.53053	1.3
67.05501	33.1
69.07069	11.5
70.08086	7.3
71.04993	2.5
71.08627	25.9
79.05492	26.8
81.03430	4.2
81.07055	29.6
83.04988	3.4
83.08613	16.2
85.06553	1.5
85.10191	11.8
85.10635	2.3
88.20730	1.3
91.05441	9.1
92.47356	1.5
93.07039	30.5
95.04964	7.4
95.08605	50.0
97.02883	2.8
97.06518	3.9
97.10194	4.5
99.04444	3.5
105.07029	9.5
107.04955	10.0
107.08600	26.0
109.10161	11.9
115.22018	1.6
117.07022	9.5
119.08558	9.4
121.06513	7.0
121.10119	13.9
123.11720	4.3
125.05985	2.7
131.04953	1.6
131.08559	1.7
133.10141	3.4
135.11690	35.7
139.07529	1.8
145.10101	26.9
145.11145	2.4
145.37518	1.5
163.11179	57.3
173.09653	2.3
181.12233	9.8
191.10699	2.4
209.11621	8.0
227.12772	100.0
239.23686	3.3
265.14346	3.4
521.38477	58.9
522.38794	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	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.6
55.05505	19.2
57.07076	38.7
67.05503	33.4
68.68180	2.0
69.07057	13.4
69.36518	4.1
69.36857	23.9
71.04980	3.8
71.08627	22.4
78.79050	2.1
79.05489	22.6
79.53188	2.1
81.07058	31.4
83.01366	2.7
83.04964	6.9
83.08614	16.3
85.10175	13.7
91.05473	10.4
92.19662	2.2
93.07041	39.6
95.04972	5.2
95.08598	51.2
97.02871	3.7
97.06539	3.1
97.10175	5.7
105.07024	10.8
107.04942	8.5
107.08595	21.4
109.10166	12.9
110.00452	2.8
117.06980	10.7
119.08572	8.5
120.83131	2.4
121.06487	6.8
121.10136	13.9
123.11652	3.4
126.15019	2.0
130.07800	2.9
135.11690	35.6
145.10092	20.2
163.11179	53.5
181.12241	10.3
209.11731	6.0
227.10510	5.1
227.12781	100.0
239.23688	6.0
463.69525	2.6
469.24484	2.3
521.38446	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64989	2.4
51.96003	2.7
55.01863	3.7
55.05516	14.9
57.07075	28.9
62.19026	2.7
65.03914	2.8
67.05497	28.4
67.81621	2.4
69.07056	13.4
69.43716	2.3
71.04997	3.1
71.08642	21.0
79.05486	22.6
81.03420	3.7
81.07055	25.6
83.04983	3.2
83.08610	17.5
85.10169	9.0
86.60249	2.4
91.05460	7.6
93.07037	33.0
95.04950	7.6
95.08602	54.5
97.02890	5.6
97.10162	7.6
99.04433	3.7
105.07035	5.4
107.04932	8.2
107.08592	26.4
108.24349	2.8
109.10156	14.3
117.07004	11.1
119.08561	10.4
121.06467	4.1
121.10145	12.1
132.06619	2.5
133.10190	3.6
135.07964	2.9
135.11693	45.2
137.13217	2.9
144.61549	2.4
145.10123	24.7
163.11179	57.4
181.12199	12.4
191.10648	2.9
199.96405	3.1
209.11696	3.2
227.12772	100.0
344.55194	2.8
430.25378	2.9
521.38373	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1291
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.35112	1.0
53.03943	2.3
55.01871	1.3
55.05507	2.4
61.02919	1.3
61.38458	1.0
67.01868	3.5
67.05500	2.9
68.99819	3.2
69.03442	6.2
69.07059	2.7
69.56001	9.1
73.02914	2.1
79.05491	2.4
81.03416	7.1
81.07059	4.9
85.02901	9.7
86.09683	2.3
86.12003	1.1
87.00831	2.8
91.05491	3.8
93.07037	4.3
95.04971	2.3
95.08609	4.2
97.02900	4.8
97.06560	1.2
98.06071	1.3
98.21476	2.3
99.04444	1.7
103.05433	1.8
105.01849	2.4
105.07037	3.9
107.04960	4.1
107.08575	1.4
109.02886	5.0
109.10148	2.1
119.04945	5.7
121.02824	1.3
121.06516	5.6
121.10203	3.1
123.04434	2.4
123.11691	2.1
127.03934	8.3
131.04951	1.6
133.06496	1.4
133.10054	1.9
135.04381	1.2
137.02338	45.7
137.05966	7.9
145.04922	1.4
147.04414	22.2
147.05527	1.9
148.06023	1.2
149.12994	1.1
153.01831	72.8
153.05457	1.7
158.11818	1.8
159.02832	1.9
161.05991	1.3
163.03851	2.3
165.09193	1.3
171.02896	42.9
179.03415	3.1
179.06952	1.5
195.02975	1.7
223.17122	1.6
246.09509	3.1
273.07571	100.0
274.07901	1.9
378.05350	1.2
469.71753	1.2
521.17175	1.2
521.25671	1.5
524.58844	1.2
529.98114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
56.05033	1.0
57.03423	0.3
57.07074	0.4
58.06606	1.2
60.08161	17.4
67.05502	3.4
69.07063	1.9
69.63895	2.1
71.07372	6.1
79.05485	1.0
81.07057	3.3
83.08613	0.4
86.09702	52.5
87.10029	0.4
90.53017	0.3
91.05479	0.8
93.07043	1.0
95.08592	2.0
97.06573	0.3
97.10128	0.4
98.21501	0.3
98.98463	4.0
101.74399	0.3
104.10739	94.5
104.40224	0.3
105.07018	0.6
105.11046	0.4
107.08612	0.5
109.10170	0.6
121.10149	0.4
124.99999	29.8
133.10155	0.4
143.01003	0.4
163.01610	0.6
181.02753	0.4
184.07333	100.0
185.07671	0.4
186.93750	0.4
224.93898	0.3
233.35057	0.3
258.10965	1.3
337.27249	0.7
443.25754	0.4
502.32892	6.8
520.33972	19.1
521.34644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67147	0.1
54.76169	0.1
55.05510	0.3
56.05035	0.5
57.03427	0.2
58.06357	0.2
58.06627	0.4
60.08165	6.5
67.05511	0.7
69.07069	0.4
70.06590	0.1
70.84202	0.2
70.84558	0.3
71.07370	3.4
79.05492	0.2
80.08224	0.1
80.97460	0.1
81.07052	0.4
83.08649	0.2
86.09705	34.2
87.10028	0.2
91.05486	0.2
95.08616	0.4
98.98466	3.8
98.99125	0.2
104.10742	2.8
109.10136	0.2
125.00003	23.9
143.01048	0.4
166.02623	0.1
175.85974	0.1
184.07338	100.0
185.07747	0.5
222.19780	0.1
231.79697	0.1
258.10913	0.1
366.04373	0.1
462.74844	0.1
502.33020	1.0
520.33960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77779	13.6
65.42200	15.5
67.05495	44.0
69.03416	36.8
69.07076	21.0
70.82655	35.3
71.05009	42.9
79.05494	37.4
81.03407	24.5
81.07077	100.0
85.02900	56.2
91.05442	21.9
93.07038	64.2
95.08609	65.5
97.02895	37.2
105.01920	19.0
105.07053	73.7
107.04960	83.0
107.08615	51.2
109.10156	37.8
119.08583	62.6
121.10163	31.8
122.39750	16.3
123.11703	22.7
125.09624	51.8
127.03860	17.6
133.10098	86.5
135.11696	15.3
137.05989	23.2
138.06274	14.2
142.65672	14.1
143.10672	48.6
145.10141	43.5
147.04382	15.4
147.11667	35.1
149.13268	42.6
153.01929	18.0
158.97701	21.6
159.11658	26.7
161.13319	36.1
162.09207	18.2
167.05666	18.4
167.07001	21.5
167.14301	81.0
201.16393	32.2
219.17499	80.5
256.00488	24.0
292.18954	25.7
299.06046	18.2
300.06110	24.7
345.31174	15.0
358.17230	35.7
520.32843	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01854	0.9
55.05511	8.9
57.03439	8.2
57.07079	1.1
61.21177	0.8
65.03931	1.2
67.05505	38.2
69.07069	9.2
69.87633	0.8
71.05005	1.2
71.58727	0.7
71.59106	1.5
77.14889	0.9
79.05495	18.3
81.07060	33.0
83.04986	1.8
83.08611	3.8
88.03976	7.7
91.05454	9.3
93.07041	19.3
95.04970	1.8
95.08608	22.4
97.06513	1.8
98.98473	6.3
105.07024	6.1
106.05009	1.8
107.08587	8.0
109.06509	0.9
109.10152	9.9
110.34212	0.9
117.07040	1.5
119.08588	4.5
119.92740	0.8
119.93605	0.8
121.10146	8.4
123.11727	2.8
131.08560	2.3
133.10120	3.5
135.11656	2.9
137.68147	1.0
145.10133	2.1
147.11699	2.3
149.13336	2.0
154.88008	0.8
161.13255	1.4
173.02113	1.7
173.13245	0.9
187.14854	1.2
243.21242	1.2
250.71442	0.9
261.22092	1.2
335.25790	100.0
336.26205	3.8
348.25305	2.0
381.38712	0.9
520.32623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05501	3.9
56.05041	4.4
57.03442	0.9
58.99588	14.5
62.06065	1.1
65.03939	1.2
67.05503	13.9
68.05016	1.9
69.03412	2.7
69.07050	4.4
70.02961	0.9
70.06580	1.9
70.93276	2.5
71.04962	1.3
72.08152	1.0
73.01121	1.5
74.00654	2.2
75.94613	0.9
76.02230	30.9
76.03994	2.5
79.05495	8.0
80.05013	2.5
81.03424	1.7
81.07058	17.6
82.06585	1.9
83.04984	1.4
83.06097	3.3
83.08604	2.6
84.04510	9.4
85.01121	1.5
85.02901	2.5
85.06535	1.9
86.00652	6.5
86.09720	1.5
86.99043	7.1
87.02688	2.6
88.02202	3.5
91.05444	7.4
93.07046	15.3
94.06580	1.4
95.04970	2.1
95.08598	6.1
97.01102	6.3
97.02884	1.9
97.06514	4.7
98.06065	2.0
99.02682	1.1
99.05566	1.1
100.02125	1.0
102.03720	1.3
102.05563	3.9
103.05524	1.1
105.01881	0.8
105.07021	4.9
107.04961	2.0
107.08588	6.7
109.02887	1.7
109.06505	1.0
109.10158	2.7
111.02666	6.0
111.08086	2.5
113.04190	1.1
114.03749	2.8
116.01678	24.0
117.07023	3.1
119.04916	1.5
119.08563	2.5
121.06490	1.1
121.10162	3.8
123.02654	1.0
123.04449	1.6
123.11755	1.1
125.04201	1.4
127.03895	1.6
129.06615	3.2
130.04984	3.0
131.08588	5.2
133.09271	0.9
133.10133	6.3
135.11691	4.0
136.03902	0.8
137.04199	1.7
137.05952	1.6
142.03226	3.6
143.02719	1.4
144.01141	10.0
145.06039	2.0
145.10040	1.3
147.04352	3.9
147.11633	1.2
149.09596	1.6
149.13260	6.8
151.03908	1.6
151.11176	3.0
153.01830	13.5
156.16187	0.8
158.11751	3.2
159.11682	4.9
162.02199	19.9
170.02646	1.6
171.02913	6.8
173.13210	1.2
177.12787	4.7
179.03409	1.4
179.04860	18.9
181.06168	1.5
183.08408	1.0
189.03319	2.3
191.08849	1.5
194.15334	1.3
195.02910	1.4
195.13768	10.1
198.14857	1.1
202.14420	1.0
206.15430	1.1
207.11952	1.0
212.16512	3.9
213.14832	2.5
218.15114	0.9
224.16490	2.2
226.12596	3.0
233.05894	1.9
236.16451	1.5
244.13509	1.9
245.05968	2.4
252.14043	9.2
253.12553	2.5
270.14960	19.9
270.17584	1.7
272.31577	0.9
273.07587	15.4
288.16278	17.1
298.14685	1.8
308.09204	2.1
312.12613	3.9
327.17212	1.9
355.16833	2.9
356.15265	1.3
373.17911	100.0
374.18079	3.6
391.19104	2.5
427.18808	1.2
445.20074	6.1
502.21964	2.7
520.23578	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	520.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69505	1.4
53.03941	4.2
55.01859	6.8
55.05499	1.5
57.03436	18.1
59.04989	3.6
60.04527	3.3
61.02922	4.3
68.99800	2.9
69.03428	79.7
70.86054	4.5
71.05002	4.3
73.02907	4.8
75.04469	2.0
75.87706	1.5
81.02984	1.9
81.03422	25.1
83.04995	7.5
85.02903	100.0
87.00826	39.3
87.04465	22.1
88.22450	1.4
91.03967	1.5
91.05434	1.6
93.20128	1.7
95.04941	2.0
97.02889	82.2
99.04451	16.8
99.12137	1.7
103.03968	2.1
103.05452	1.8
105.01865	73.8
105.07027	13.8
109.02874	28.9
111.04427	5.1
115.03929	31.7
117.01861	4.5
119.08611	1.8
123.04452	2.6
127.03918	77.9
129.01797	3.4
129.05510	2.6
129.30215	1.8
133.04958	17.6
133.06480	2.0
135.04457	1.8
139.03922	4.4
145.04955	32.1
145.05983	1.2
146.27094	1.6
147.02849	2.4
149.06021	2.8
150.07608	19.3
151.03908	2.2
159.02924	11.8
173.04407	1.8
176.37163	1.5
177.05460	3.0
181.05029	2.0
185.09766	1.9
189.03951	6.3
205.05119	2.4
213.03972	7.5
213.09164	4.5
215.05574	1.9
217.07109	2.0
223.05959	3.3
231.04990	33.5
241.07091	5.8
249.06088	8.5
259.08282	1.8
273.11359	1.9
297.15906	1.6
301.09186	1.6
301.44125	1.7
309.06357	1.6
327.07117	10.3
335.11133	2.2
345.08029	12.2
363.09131	2.2
520.24493	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	519.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01863	4.5
55.05270	1.5
55.05511	22.1
56.96521	1.7
57.03424	4.8
59.04987	4.3
64.41582	1.3
65.03931	4.6
67.05505	100.0
69.03438	8.1
69.06725	1.8
69.07065	23.7
69.55572	9.7
69.55998	2.6
71.04971	2.8
79.05494	22.7
81.03412	4.8
81.07059	28.2
83.04942	3.1
83.08610	9.9
85.06532	4.6
86.09713	1.6
91.05451	17.7
93.07044	18.7
95.04966	6.4
95.08118	1.8
95.08610	15.8
97.02886	5.9
97.06518	3.2
97.10177	9.0
98.20748	2.7
104.10721	5.3
105.07024	13.3
107.04957	4.9
107.08585	10.1
109.06518	4.5
109.10159	60.1
111.08067	4.8
113.00002	3.3
114.75441	1.6
117.06997	5.1
119.08581	15.3
121.06472	3.0
121.10133	5.3
123.08056	5.6
125.09608	6.5
129.07014	3.6
131.08578	7.5
133.06438	2.9
133.10115	4.6
134.16154	1.3
135.08023	4.1
135.11684	2.5
137.09590	3.7
143.08563	4.8
145.10101	5.8
147.08058	4.3
147.11699	2.9
149.09654	1.8
149.13187	1.9
157.10068	4.3
159.11700	4.0
161.09557	3.4
163.11115	1.8
165.09207	1.6
167.03392	1.7
167.05505	3.1
167.08566	1.6
173.11758	15.4
175.11168	2.3
177.12550	1.7
184.07413	7.0
189.11197	3.0
223.13293	15.1
227.12798	2.1
229.14336	5.5
249.15031	2.1
255.17439	1.8
273.18524	15.3
291.19547	76.7
299.06232	3.6
340.59360	1.8
344.97427	1.6
347.22003	3.1
501.32452	2.2
515.51245	1.6
519.33618	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
54.98721	0.5
55.01866	0.7
55.05496	0.6
57.03433	2.1
62.16554	0.4
69.03432	6.8
70.44681	1.6
81.03419	2.7
81.07075	1.0
83.04984	1.1
85.02909	8.5
85.33965	0.4
87.00826	2.9
87.04460	1.6
91.05476	0.6
97.02889	6.9
99.04452	1.3
105.01862	6.3
105.07027	1.7
107.08591	0.5
109.02879	2.9
115.03931	3.3
117.01825	0.5
127.03915	7.7
133.04973	1.6
137.05988	1.6
145.04941	2.9
147.04372	0.5
150.07629	1.6
159.02882	0.8
167.06993	0.5
177.05402	0.5
187.07596	0.6
189.03932	0.8
213.09093	0.8
231.04945	3.1
249.06059	1.3
259.07925	1.3
269.12463	0.6
281.08289	0.5
299.06073	0.7
327.06946	1.3
345.08163	0.9
357.18860	2.2
396.32239	0.6
459.22232	0.8
519.24146	100.0
520.24524	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	519.1133
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.05512	0.2
67.01863	0.5
67.05497	0.3
68.99794	0.4
69.03432	0.4
69.07062	0.3
71.59323	0.2
72.67400	0.1
79.05495	0.3
81.03394	0.3
81.07036	0.7
85.02892	0.4
86.09679	0.2
91.05476	0.6
93.07036	0.6
95.04978	0.4
95.08594	0.4
97.02918	0.4
97.06580	0.2
105.69013	0.2
106.06550	0.3
107.04944	0.4
107.08585	0.4
109.02891	0.4
109.10157	0.4
115.03975	0.2
119.04943	2.0
119.08556	0.4
121.02866	0.7
121.06506	0.2
121.10135	0.3
122.03591	0.2
123.04424	0.6
123.11717	0.2
127.03922	0.4
128.06189	0.2
133.02858	0.3
133.06444	0.2
133.10155	0.2
136.07529	0.2
137.05992	0.8
137.62477	0.2
145.02863	0.7
145.10133	0.2
147.04436	0.3
153.01817	4.2
161.06004	0.2
163.03870	0.6
167.05527	0.3
167.06978	0.2
171.02902	1.1
175.07501	0.3
177.05513	0.3
187.03897	0.2
187.07549	0.1
193.70471	0.2
203.06985	0.4
225.05389	0.4
229.05046	0.2
234.45396	0.2
243.06613	0.3
271.06000	100.0
272.06345	2.9
299.06052	0.4
303.23053	0.3
306.08405	0.2
339.12122	0.3
433.11310	1.0
466.35501	0.2
519.11694	1.3
519.18964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
56.05029	1.5
57.03431	0.6
58.06602	1.4
60.08162	18.0
62.62152	0.3
67.05502	3.6
69.03463	0.4
69.07063	1.1
70.22702	0.7
70.23062	1.6
71.07372	8.9
73.98410	0.4
79.05476	2.2
81.07057	2.4
83.08642	0.3
86.09705	53.7
87.10088	0.4
91.05485	1.7
93.07045	2.3
95.04974	0.7
95.08609	1.6
98.98473	5.2
104.10741	99.6
105.07012	0.6
105.11099	0.5
107.08587	0.8
109.10178	0.6
113.00014	1.5
117.07020	0.3
119.08588	0.5
121.10136	0.5
123.11691	0.4
125.00005	30.8
131.08559	0.5
143.01102	0.4
145.10193	0.4
151.79910	0.4
154.98003	0.3
163.01520	0.6
178.16011	0.4
184.07336	100.0
185.07651	0.5
193.12440	0.4
198.31970	0.4
240.09874	0.4
258.11121	0.7
332.26724	0.6
335.25797	0.8
406.30182	0.8
500.24442	0.8
500.31323	7.7
500.38025	0.7
518.32428	17.4
519.32758	0.8
541.77979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08780	0.2
54.98943	0.1
55.05484	0.2
55.65004	0.1
56.05028	0.5
56.07882	0.1
57.03435	0.2
58.06620	0.3
59.07392	0.2
60.08162	6.7
67.05508	0.7
70.65829	0.3
70.95579	0.1
71.07372	3.2
79.05493	0.4
81.07057	0.4
86.09702	33.4
91.05508	0.1
93.07036	0.3
95.08624	0.2
96.33689	0.1
98.98463	3.4
104.10735	2.7
105.07074	0.2
109.10169	0.2
124.99998	22.6
143.01057	0.5
166.26782	0.1
178.16412	0.1
184.07332	100.0
185.07637	0.5
216.86795	0.1
258.11124	0.3
268.49329	0.1
471.44641	0.1
500.31406	0.9
517.28967	0.1
518.32391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.8
57.03437	20.7
59.05001	5.4
61.02925	6.5
63.73159	3.0
67.01867	3.6
69.03433	69.0
69.07049	3.6
69.44497	4.2
70.24500	12.7
71.05003	4.0
79.05508	23.5
81.03423	11.3
81.07072	6.5
83.04979	3.7
85.02424	6.0
85.02908	72.1
85.06556	29.6
87.04474	48.7
91.03947	6.0
91.05434	7.2
93.57657	3.3
95.04977	8.7
96.54151	3.3
97.02898	57.8
99.04408	4.0
105.03390	27.6
105.07031	6.5
106.07461	4.1
107.04984	16.1
107.08548	4.7
109.06508	6.0
111.04453	3.5
115.03944	63.8
119.04931	5.2
119.08555	3.8
120.05736	4.3
121.06519	3.4
123.04436	100.0
127.03920	8.3
128.32066	3.2
131.04912	5.4
133.04008	5.0
133.04965	68.7
133.06503	7.5
133.10191	4.1
135.08044	7.2
137.05959	7.1
138.06760	4.1
143.26033	3.1
145.04971	22.9
147.04301	4.4
150.07614	7.0
151.07570	3.9
153.09096	3.5
163.06029	11.6
165.05493	12.6
167.07059	4.4
176.08398	3.7
188.73848	3.2
189.09131	7.0
199.09720	8.5
209.23508	2.9
229.10751	4.5
237.11119	3.7
254.09441	4.0
286.11975	5.8
308.10474	4.9
323.12674	13.6
332.62827	4.0
338.15164	17.2
356.16202	10.1
406.49020	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	518.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01863	1.4
55.05512	6.3
56.05028	1.3
57.03438	1.2
57.98783	0.9
58.99585	18.3
67.05502	4.4
69.03426	2.0
69.07069	2.2
70.06606	1.0
70.65099	2.3
71.04988	1.4
73.01138	0.7
76.02226	100.0
76.03992	3.3
79.05489	5.2
79.49697	0.6
80.05035	1.7
81.03418	17.9
81.03858	1.3
81.07066	6.0
83.04984	6.5
83.08613	6.8
84.04504	28.8
85.02908	1.7
86.99052	4.2
88.02222	2.5
91.05455	6.4
93.07047	4.5
95.04973	7.7
95.08608	2.6
97.02928	1.4
97.06532	1.0
97.10195	1.4
98.21431	0.7
102.05562	0.9
105.07020	4.9
106.35088	0.8
107.04971	2.0
107.08617	1.0
107.25403	0.7
109.06509	1.0
109.10159	1.6
111.04425	0.8
111.08085	2.4
113.05995	0.7
114.03797	1.1
116.01680	26.8
119.08600	4.3
121.10152	2.0
122.06000	1.5
123.08092	0.8
125.09641	1.2
127.03915	1.5
129.07016	3.2
130.05002	13.1
131.08578	2.8
133.06474	1.1
133.10161	1.9
137.05989	0.9
141.04810	0.9
142.03217	10.6
142.07765	1.6
144.01152	14.6
147.11710	4.1
149.09636	1.9
150.05443	1.0
157.10152	2.9
162.02206	40.9
165.12688	1.1
170.02690	4.1
175.11214	2.9
178.05066	1.8
179.04851	76.9
187.05408	2.0
193.12239	14.2
196.13458	0.8
199.05318	0.9
205.06537	0.8
206.04514	1.4
207.04889	1.5
211.13290	21.2
215.04977	3.1
215.06798	0.7
227.04947	0.9
233.05881	21.6
238.21390	0.8
245.05948	3.9
271.06058	1.7
276.16064	0.9
290.08200	2.3
291.06491	3.8
294.17322	0.9
308.09094	39.9
350.89078	0.7
500.20108	0.8
518.22272	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03934	3.9
55.01869	2.1
55.05511	22.4
57.03426	5.2
57.07071	2.8
65.03939	2.0
67.05502	47.1
69.07069	19.1
70.04173	8.4
71.04991	2.1
71.08634	2.1
79.05495	35.7
81.07056	53.2
83.04981	3.0
83.08619	12.5
85.06547	2.6
91.05481	28.3
93.07043	45.5
95.04951	5.3
95.08606	38.6
97.06533	5.8
97.10171	5.7
99.08049	1.7
105.07026	36.3
107.08598	27.0
107.87537	1.8
109.06554	2.5
109.10159	14.3
111.08101	3.6
113.00008	3.8
117.07006	9.3
119.08585	32.5
121.10138	22.4
123.08068	2.6
123.11720	7.2
129.07022	4.7
131.08553	17.7
133.10129	22.8
135.11697	14.7
137.09685	1.6
137.13237	1.8
143.08578	6.7
145.10118	16.9
147.11716	15.6
149.13283	7.6
153.12737	2.0
155.08528	1.8
157.10167	5.6
159.11723	20.6
159.80508	1.6
161.13242	8.8
163.11191	2.9
163.14853	3.2
164.53946	1.5
171.11736	4.9
173.13300	10.0
175.14833	5.3
181.12204	2.5
183.11722	4.1
185.13260	5.1
187.14882	6.0
189.16435	1.8
197.13232	1.7
199.14893	3.6
201.16510	3.7
210.30370	1.4
211.14767	3.1
213.14836	2.0
217.01004	1.6
217.73679	1.5
224.28757	1.6
241.17810	3.0
241.19980	1.8
259.20645	3.5
271.20734	2.9
273.22235	3.1
287.23752	2.7
301.25256	2.0
317.24637	2.0
327.26929	2.5
391.28400	2.2
407.32892	3.9
425.34134	15.8
443.35135	8.2
499.37848	23.0
517.38885	100.0
518.38953	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	517.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
55.05513	20.8
57.03433	8.8
57.07071	3.5
65.03957	3.4
65.72826	2.2
67.05509	40.8
69.07069	24.6
69.88237	14.2
71.05004	3.1
79.05496	28.5
81.07056	57.1
81.07521	3.7
83.05003	3.3
83.08633	12.4
85.06586	2.6
91.05480	25.5
91.74158	2.4
93.07051	38.8
95.04956	6.5
95.08611	38.0
97.06531	4.8
97.10185	7.2
102.63908	2.5
103.56033	2.7
105.07036	30.8
107.08605	27.3
107.09322	3.2
109.06547	4.0
109.10138	16.9
111.07127	2.3
111.08052	4.4
113.00038	16.2
117.07034	9.6
119.08585	33.5
121.10145	22.9
123.08054	3.9
123.11739	7.0
129.07048	7.7
131.08568	20.4
133.06538	2.8
133.10144	29.0
135.11732	11.9
137.52774	3.2
143.08582	8.8
145.10135	19.6
147.11728	15.0
149.13287	7.3
157.10197	9.3
159.11710	17.8
161.13240	13.2
163.11266	3.3
163.14891	3.4
171.11720	10.7
173.13330	10.2
175.14851	6.1
179.14378	8.1
183.11777	4.6
184.34375	2.8
185.11748	3.0
185.13335	4.4
187.14935	8.2
189.16383	5.1
201.16440	4.2
227.18063	3.5
239.53796	3.7
241.17838	4.6
268.54263	2.6
287.23596	2.9
299.23642	3.8
305.49930	2.7
315.23483	3.1
331.26419	11.3
405.29880	15.4
407.33182	8.5
425.34149	12.7
443.35477	7.5
478.06656	2.7
484.46561	2.8
499.37866	21.3
517.38971	100.0
518.39136	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	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08198	3.6
53.03932	6.6
55.01866	6.8
55.05509	33.4
57.03418	8.4
57.07067	12.6
61.02912	4.5
67.05501	100.0
69.03429	7.0
69.07066	43.5
69.39510	12.4
69.39928	24.8
71.08621	7.0
73.02908	4.1
74.66201	3.3
79.05499	36.2
81.03433	5.6
81.06587	5.6
81.07054	99.7
83.04984	6.8
83.08623	24.0
85.02895	10.6
91.03945	4.8
91.05485	28.0
93.07038	38.3
95.04946	11.0
95.08055	7.2
95.08608	89.3
97.02872	6.1
97.06541	9.5
97.10152	13.7
98.20791	8.4
99.08083	4.5
105.07018	24.7
107.08615	24.7
109.10150	46.5
109.71790	4.2
111.08070	5.9
111.11684	4.7
113.00017	5.4
117.07011	6.7
119.08620	22.8
120.64070	3.4
121.06494	5.4
121.10133	27.7
123.11712	19.7
125.09634	8.1
127.03895	3.7
129.07072	6.3
131.08553	10.5
133.10167	19.5
135.08095	3.9
135.11676	10.7
137.13258	6.9
145.10109	8.8
147.11650	14.3
149.13239	10.8
151.11147	6.3
151.14792	4.3
155.08612	3.6
155.14319	4.1
159.11697	6.8
161.13228	16.5
163.14821	6.6
165.12727	3.5
165.16405	7.4
173.13283	4.7
175.14760	11.1
177.12886	3.5
216.06100	3.8
242.95001	3.6
245.22681	36.8
263.23691	35.5
279.23254	5.0
331.26355	4.0
337.27298	31.9
366.72202	3.9
371.25940	4.3
386.73077	3.4
405.29868	7.6
410.52914	3.6
453.33438	5.5
485.36255	7.0
517.30634	7.3
517.38654	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	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01862	3.3
55.05511	26.7
57.03429	8.5
57.07069	6.7
57.21347	3.1
61.02911	4.8
67.05505	89.1
69.03430	6.8
69.07071	28.1
70.68722	7.9
71.04987	3.9
71.08632	7.9
79.05488	34.8
81.03416	8.9
81.07056	100.0
83.04989	4.8
83.08624	19.1
85.02873	7.0
85.10163	4.4
91.05486	22.9
93.07043	44.6
95.04984	7.4
95.08604	71.1
96.76030	2.7
97.06546	5.7
97.10181	10.4
99.08045	6.7
105.07037	24.0
107.08604	24.6
109.06493	4.3
109.10150	33.2
113.00009	9.9
117.06985	3.4
119.08591	17.8
121.06541	3.2
121.10155	26.4
123.08064	4.9
123.11691	22.7
125.09635	3.8
129.07036	3.7
131.08572	8.3
133.10130	22.1
135.11716	13.2
137.09689	5.2
137.13242	7.1
141.12740	3.5
145.10143	3.7
147.11687	12.0
149.13272	10.0
151.14890	4.6
159.11763	3.5
161.13232	15.2
163.14798	7.4
165.12849	3.2
165.16394	6.8
175.14827	8.5
179.17763	4.6
189.16373	3.6
245.22614	29.9
263.23706	47.3
273.01810	3.8
329.21307	3.0
337.27341	20.9
361.37781	3.5
371.25644	6.3
405.29922	6.7
407.27823	3.6
517.24078	5.1
517.31177	18.7
517.38232	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01875	3.5
55.05511	23.6
57.03427	7.2
57.07066	5.6
61.02920	3.9
64.80682	1.5
67.05504	49.5
67.17792	1.8
69.03419	6.6
69.07066	23.8
69.34411	19.9
71.05000	2.9
71.08622	8.9
73.02895	1.9
74.85817	1.8
79.05491	19.2
81.03417	2.3
81.07058	60.7
83.04980	3.9
83.08614	14.9
85.02907	3.0
85.10212	1.7
86.17172	1.7
90.30874	1.8
91.05490	17.3
93.07055	24.8
95.04972	5.3
95.08604	40.9
97.06533	4.8
97.10164	9.7
98.61069	1.6
99.08107	5.4
105.04572	2.3
105.07034	18.4
107.04982	2.0
107.08596	20.2
109.06511	12.5
109.10167	19.1
111.08088	3.7
113.00017	100.0
113.09635	1.8
117.06996	3.1
119.08572	18.1
121.10156	14.5
123.08065	25.1
123.11720	11.3
125.09637	2.8
126.79063	1.9
129.07045	2.6
131.08578	6.7
133.04025	1.9
133.10146	17.9
135.08051	16.5
135.11699	7.0
137.13266	5.2
143.08423	1.9
145.10123	7.9
147.11694	10.4
149.09590	2.5
149.13263	6.8
151.11185	2.5
159.11685	4.7
160.43587	1.8
161.09656	3.4
161.13243	5.1
163.14827	4.1
165.16451	3.8
167.14291	2.4
169.10156	2.0
171.11768	2.5
173.13310	3.0
175.14854	16.4
177.12758	6.7
179.14322	40.9
179.17934	2.3
187.03633	15.3
191.14302	4.5
201.16577	1.9
202.91760	1.7
205.15878	5.4
211.14734	2.1
213.99858	2.0
221.15413	2.6
245.22627	11.7
263.21234	2.2
263.23703	15.1
275.20068	2.7
289.21609	6.7
303.26917	6.0
331.26324	52.4
337.27277	17.8
344.37100	2.0
347.25940	3.6
349.27335	9.6
371.25858	2.7
387.28851	8.6
405.29999	65.5
517.29535	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	517.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05508	9.9
57.03428	4.4
57.07066	3.1
57.53453	1.3
61.53033	1.4
67.05506	17.6
69.07069	11.2
70.68280	1.4
71.04997	3.1
71.08625	5.6
71.58843	1.3
71.59245	1.7
73.23428	1.5
78.89147	1.4
79.05479	10.3
81.07056	26.0
83.04969	2.7
83.08608	6.7
85.06532	2.4
91.05473	11.0
93.07040	13.9
95.08616	14.9
97.06508	3.7
97.10175	4.0
99.08076	3.5
104.91986	1.4
105.07030	14.8
105.16311	1.4
106.92532	1.4
107.04964	1.6
107.08585	12.6
109.06506	14.2
109.10141	7.1
111.08082	2.0
113.00011	100.0
117.06991	2.9
119.08582	16.0
121.06381	2.3
121.10104	8.2
123.08057	27.6
123.11703	3.7
124.08369	1.6
125.09641	2.2
129.07014	2.7
131.01018	1.6
131.08568	5.7
133.10109	12.0
135.08046	17.6
135.11684	2.6
137.09586	2.9
143.08543	2.6
143.17059	1.7
145.10101	5.5
147.11717	8.7
149.09641	5.8
149.13185	2.2
154.02811	2.3
157.10092	2.5
159.11703	5.2
161.09645	1.6
161.13271	3.6
163.11217	1.6
165.12744	2.1
165.16751	1.7
173.13216	2.3
175.14774	9.6
177.12781	5.4
177.16403	2.6
179.14278	34.5
185.13223	2.3
187.03670	13.7
193.15912	1.7
204.53320	1.5
205.15921	6.2
233.19003	2.4
247.20418	2.2
275.20181	3.6
289.21619	9.2
293.21094	2.3
303.26758	3.9
331.26270	49.4
347.25790	2.4
349.27332	8.9
369.27811	2.1
375.29092	2.8
387.28763	7.4
405.29974	69.4
406.30130	1.9
444.45822	1.6
493.82410	2.0
517.28461	5.9
517.40582	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	517.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
53.65700	1.4
55.05514	11.9
57.03422	6.0
57.07072	3.2
67.05174	1.9
67.05501	19.9
69.03448	3.1
69.07068	13.6
71.04993	2.8
71.08636	7.3
71.59417	2.3
79.05499	11.7
81.03442	1.8
81.07053	33.3
83.04955	1.5
83.08612	7.2
85.02865	1.5
91.05472	9.8
93.07048	15.2
95.04954	1.5
95.08602	22.9
97.06533	3.6
97.10185	3.6
99.08103	5.0
105.07035	12.8
107.05019	1.5
107.08581	14.7
109.06503	14.0
109.10155	9.3
111.08051	1.9
113.00014	100.0
117.06998	2.9
119.08573	15.8
121.06485	2.1
121.10165	8.7
122.07336	1.5
123.08062	25.5
123.11703	4.5
125.09618	1.8
131.08545	6.1
133.10123	9.2
135.08031	14.4
135.11659	4.4
137.09610	3.2
139.11134	1.4
141.28508	1.4
143.08516	2.0
145.10109	4.8
147.11679	9.3
149.09637	3.2
149.13213	4.7
157.10063	2.0
158.85501	1.6
159.11687	4.3
161.09633	2.2
161.13322	4.0
165.12733	2.3
167.14287	1.7
169.02621	1.5
171.11748	1.8
173.13196	2.2
175.14807	9.8
177.12730	4.7
177.16393	1.6
179.12750	1.8
179.14314	36.7
187.03680	15.9
193.12280	2.0
193.15912	2.2
203.33600	1.4
205.15846	5.7
263.20050	3.0
275.20145	3.6
289.21579	7.7
289.25455	1.4
293.20959	2.2
303.26791	4.8
319.22580	1.9
331.22342	2.6
331.26312	53.8
337.27383	4.2
349.27261	7.9
375.28922	2.6
387.28949	7.1
405.29999	66.8
406.30292	1.7
423.31046	2.1
499.28052	2.0
513.02386	1.5
517.28815	5.2
517.36224	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50549	2.9
53.03943	3.3
55.01865	10.2
55.05265	4.9
55.05511	69.8
57.03427	4.8
59.04985	8.5
60.63323	2.5
65.03930	3.6
67.05505	100.0
69.03432	4.6
69.07059	9.8
69.31501	6.1
69.31895	28.5
71.04986	4.4
73.02909	4.8
73.06535	3.3
79.05501	28.6
81.03423	13.8
81.07059	33.3
83.04968	8.6
83.08616	29.5
85.02912	23.1
85.06544	7.2
85.75948	3.1
87.04456	12.3
91.05472	17.0
93.07071	18.3
95.04961	9.9
95.08591	16.8
97.02876	4.5
97.06538	3.9
97.10174	46.5
105.07016	10.1
107.04953	7.1
107.08594	18.4
109.10161	71.4
111.08082	5.0
117.07011	4.6
119.08582	12.5
121.10123	6.5
123.08080	4.8
125.09631	47.7
131.08578	9.4
133.10239	3.9
135.08054	3.5
135.11693	12.4
137.09631	5.3
143.10664	6.3
145.10141	14.1
147.08047	3.5
153.12779	3.2
155.10698	9.8
161.13304	3.0
163.11177	28.9
173.09639	9.0
173.11743	57.0
181.12158	5.1
191.10651	12.1
209.11667	23.1
223.13266	3.5
227.12801	10.6
259.87433	3.2
261.46640	3.0
313.20831	3.0
313.27441	3.5
337.52274	2.8
467.49466	2.9
534.78046	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	516.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01869	5.9
55.05519	15.1
57.03438	16.4
59.05006	25.1
61.02924	6.4
67.05498	21.6
69.03432	49.0
69.07074	3.3
69.30903	3.1
69.51157	10.5
69.51582	13.1
70.06583	3.8
71.05000	5.7
73.02917	4.2
79.05490	6.8
81.03426	21.6
81.07058	8.0
83.04976	6.0
83.08612	3.8
85.02910	100.0
86.09690	2.9
87.00837	39.3
87.04478	14.3
91.03963	3.5
91.05489	6.4
92.05781	2.6
92.06474	2.5
93.07046	3.8
97.02895	47.0
97.10181	9.6
99.04474	13.2
101.09714	2.9
103.57085	2.7
105.01872	70.7
105.07017	3.2
106.52210	2.6
107.05005	4.1
107.08610	4.5
109.02881	31.1
109.10148	23.5
111.04445	5.2
115.03943	14.4
117.09097	5.5
119.10705	4.8
125.09627	8.1
127.03924	72.6
129.01912	3.3
133.04985	6.5
143.12985	2.6
145.04956	30.4
150.07635	5.1
153.05453	4.6
159.02908	7.3
173.11755	11.2
177.05508	3.3
189.05397	2.8
213.03952	8.5
227.12863	3.9
229.14401	25.0
231.05006	25.7
241.06943	2.9
249.06018	14.1
251.18542	17.4
283.35388	3.1
319.17581	7.3
345.08292	5.4
516.20972	2.9
516.33350	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	516.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79234	0.5
57.75961	0.5
63.57641	0.5
67.05516	0.8
67.10847	0.5
69.03389	0.6
70.06590	0.8
70.84327	1.8
72.08084	0.5
84.04509	1.0
85.02888	0.7
86.09691	0.8
87.15208	0.5
87.49829	0.5
87.97027	0.5
91.05484	1.1
94.06576	0.8
95.04965	1.2
97.02914	0.6
97.43988	0.6
103.48718	0.6
108.04506	0.6
118.06460	0.7
122.06081	1.0
127.03927	0.7
133.05243	0.7
136.07591	0.9
137.02580	0.6
138.05472	5.2
140.07027	0.7
146.06017	1.4
147.06711	0.8
148.07578	10.1
150.05518	0.6
157.08687	0.7
162.07562	0.5
162.09140	1.0
166.05013	4.4
170.09572	0.6
174.05519	0.9
177.05501	0.7
181.08887	1.1
184.00580	0.6
186.02124	0.7
194.09669	0.8
198.09198	0.6
198.24881	0.7
208.09636	0.7
211.08675	1.9
211.12189	1.3
212.09367	0.6
213.10262	0.7
221.10771	0.8
222.09285	0.8
224.09309	1.7
224.11061	1.1
225.08328	0.6
225.10217	3.8
226.08751	0.8
226.10925	0.9
227.11865	0.9
237.02733	0.6
237.10234	2.6
239.08153	1.0
239.11813	7.0
240.08769	0.8
241.09749	1.5
249.10316	1.6
250.08664	1.4
251.08211	2.1
252.08963	2.0
253.09679	5.6
254.10452	1.5
255.11198	1.5
265.09708	2.6
267.11298	13.8
268.11990	0.9
269.12863	1.1
270.11264	1.1
279.07574	0.8
281.08984	0.8
285.12341	2.1
293.09204	1.9
295.10767	22.4
296.11478	0.9
311.10153	2.6
313.11810	100.0
314.12836	3.9
321.08698	4.1
339.09772	18.4
340.10260	0.6
357.10846	0.7
367.19452	0.6
396.51208	0.6
436.18576	1.2
454.19724	14.9
455.19989	0.7
480.17877	4.6
498.18161	1.2
516.20483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.9
61.43441	3.5
67.05487	9.4
68.99770	4.4
69.03423	13.7
69.66092	21.0
70.06587	10.0
71.19090	3.6
73.02925	4.7
78.10224	4.2
81.03421	5.3
85.02888	17.1
91.05473	4.3
94.06553	9.9
95.04998	5.3
97.02894	11.7
98.06055	7.3
98.21483	7.6
99.04392	4.2
106.06522	6.6
108.04488	8.3
108.08121	93.1
109.02863	4.9
110.05994	4.6
116.07027	4.6
118.13013	4.5
118.97462	3.9
122.06026	26.7
123.06826	4.3
124.07581	18.6
127.03912	7.7
130.06529	90.1
131.04935	7.2
132.08096	8.6
134.06027	15.1
135.09142	6.2
136.07578	45.1
138.05463	6.1
140.07069	7.0
144.08116	5.1
146.06000	13.3
146.19373	3.9
148.07552	14.5
149.07111	7.7
150.05507	100.0
152.07082	96.0
154.08640	10.9
157.07619	8.1
157.09753	6.7
158.08318	12.7
159.09172	21.6
161.07118	23.9
162.05414	4.7
162.07878	7.2
162.09157	12.1
163.03870	6.8
163.08675	72.4
164.06999	5.2
168.06561	15.2
169.07617	4.8
175.08664	6.9
175.10791	10.3
176.07155	5.0
178.08762	4.2
180.06514	3.8
180.10178	17.2
181.09712	9.0
186.02217	6.4
188.06993	6.1
192.02730	5.5
207.07608	24.6
208.09702	34.6
221.10664	9.7
225.08719	13.2
234.11627	5.0
239.11847	9.8
247.12253	10.7
248.09383	8.1
249.10254	62.3
253.09645	5.0
261.10159	12.0
263.11801	44.8
265.09409	5.4
267.11151	28.4
270.11118	6.9
275.11798	76.0
279.11160	5.8
281.12805	41.2
285.12296	5.4
291.09903	8.9
292.14493	58.6
293.12741	20.3
295.10751	17.4
310.15530	48.7
313.11801	78.3
314.12436	21.0
339.09637	9.1
343.14859	13.2
354.14233	8.0
387.14035	44.6
429.16876	5.2
443.18121	86.1
444.18268	4.3
454.19553	14.7
455.18295	17.9
472.20837	76.0
480.17538	6.7
498.18710	16.9
516.20068	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03956	0.5
55.01869	0.6
55.05501	0.5
57.03425	1.7
57.07082	0.6
59.04998	1.4
61.02918	2.3
66.42850	0.4
67.05473	0.5
69.03435	6.9
70.17545	2.2
71.04955	0.5
73.02909	1.3
74.41281	0.4
78.03458	1.8
79.05498	0.8
81.03418	4.4
81.07042	0.8
82.28048	0.4
85.02901	15.7
87.04455	1.4
89.06028	1.4
91.03954	0.7
91.05481	1.8
93.07059	1.0
95.01315	0.4
95.04972	0.5
96.04490	100.0
97.02888	11.2
97.04826	0.4
98.21485	0.5
99.04466	0.9
105.07054	1.3
107.04960	3.2
107.08614	0.7
109.02882	4.1
109.10136	0.6
112.03983	1.0
115.05431	0.9
117.07011	0.7
119.04964	2.1
121.02870	0.5
121.06499	0.5
121.10143	0.5
122.36794	0.4
123.00772	0.6
123.04417	0.5
123.08054	0.5
125.02355	15.2
127.03918	3.4
131.10663	0.4
133.06485	1.7
134.07268	2.3
134.08211	0.4
135.08051	4.0
136.07573	22.9
137.02344	0.6
145.04974	2.1
145.12180	1.0
147.04387	0.9
149.05989	1.0
152.07135	0.4
161.05981	1.4
163.03886	0.4
168.63358	0.4
171.04419	1.3
177.64041	0.4
186.47710	0.4
200.04672	0.6
201.05450	0.7
203.16573	0.5
217.04971	7.0
238.82669	0.4
259.09683	8.4
354.13354	53.3
355.13852	0.5
435.04355	0.6
499.02219	0.4
516.18365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02375	0.5
52.38774	0.2
53.03939	0.5
55.01869	0.4
55.05488	0.2
57.03433	0.9
59.04986	0.2
61.02931	1.1
69.03428	4.1
70.84240	0.5
71.04980	0.3
73.02917	0.4
78.03448	1.7
79.05478	0.2
81.03410	1.7
81.07046	0.3
83.01399	0.2
83.04974	0.1
85.02905	9.9
87.04459	0.5
87.08439	0.1
91.03944	0.4
91.05477	0.6
93.07027	0.4
95.04957	0.2
96.04490	100.0
97.02886	4.6
97.04842	0.5
99.04454	0.5
105.07027	0.3
107.04961	0.9
109.02887	2.5
111.04454	0.2
112.03973	0.6
115.05449	0.2
119.04922	0.8
121.02825	0.3
121.06551	0.2
123.04461	0.2
123.54837	0.2
125.02353	3.7
127.03901	2.1
133.06505	0.7
134.07251	0.8
135.08047	0.8
136.07561	1.5
144.05711	0.2
145.04964	1.1
147.04379	0.4
149.05965	1.3
152.07085	0.3
158.63356	0.1
161.05977	0.4
171.04434	0.5
200.04652	0.5
217.04938	2.7
259.09647	4.1
303.50635	0.2
354.13354	19.7
355.13797	0.5
516.18750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	8.8
55.01892	6.3
55.05511	28.5
57.03434	8.9
61.02912	5.7
67.05185	6.3
67.05508	93.4
67.81416	5.0
69.03418	15.7
69.07064	24.5
71.01353	6.5
73.02840	4.8
79.05496	57.6
81.03378	11.0
81.07058	100.0
83.04972	6.6
83.08591	12.0
85.02900	11.7
91.05481	41.3
93.07042	83.5
95.04952	20.7
95.08602	72.2
98.21523	10.8
105.07017	36.9
107.04925	8.3
107.08600	41.8
109.06509	16.8
109.10162	37.2
116.43631	4.9
117.06999	18.0
119.08591	39.1
121.10132	37.8
123.08039	10.1
123.11717	13.7
129.06995	8.8
131.08572	39.5
133.10147	25.1
135.08101	7.8
135.11716	30.6
137.13188	6.1
143.08560	10.3
145.10115	26.8
147.11655	14.6
149.09688	7.8
149.13255	18.5
153.61186	5.0
157.10065	7.5
157.82205	5.3
159.11737	33.7
161.13319	11.4
163.14807	14.8
169.10092	6.5
171.11652	5.8
173.13303	26.1
175.14806	9.2
187.14777	11.5
189.13013	5.7
201.12897	5.3
243.21082	19.1
261.22150	60.2
298.45340	5.7
309.49966	5.5
335.25806	14.1
345.24179	12.9
353.26770	17.4
379.74472	6.3
387.25201	7.2
497.30518	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96761	4.5
53.03946	7.1
55.01867	6.2
55.05510	20.3
57.03441	15.4
57.07034	4.5
61.02930	11.9
62.73695	4.8
67.05505	94.9
67.74562	5.3
69.03429	11.7
69.07077	27.3
69.52164	4.3
70.84557	14.1
71.01366	6.0
71.04996	5.8
73.02925	6.1
79.05490	66.1
81.03432	13.7
81.07062	100.0
83.04963	8.6
83.08617	11.3
83.24657	4.7
85.02908	13.4
91.05491	41.6
93.07043	75.8
95.04980	10.4
95.08604	86.5
97.02898	14.8
97.06544	6.6
105.07034	35.6
107.08611	41.6
109.02853	5.3
109.06526	11.6
109.10157	38.5
114.54169	4.6
117.07053	19.0
119.08544	24.2
121.10160	30.1
123.11717	17.9
129.07025	10.3
131.08566	20.7
132.75967	5.1
133.10138	19.5
135.07994	5.3
135.11710	21.9
135.38707	4.9
143.08597	7.8
145.10158	21.0
147.11696	20.0
149.09641	7.2
149.13171	23.1
157.06480	5.8
159.11713	19.7
161.13251	14.9
163.11217	5.3
163.14839	9.2
171.11707	8.5
173.11937	4.6
173.13350	13.8
184.41360	4.6
185.13257	6.8
187.14883	7.7
243.21133	14.1
261.22183	43.0
263.42499	5.5
303.23245	6.8
335.25815	13.1
345.24292	10.3
353.26874	16.8
369.24377	10.4
419.28021	5.6
479.30374	5.7
497.31058	9.7
498.95117	5.1
515.26300	96.9
516.26636	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01859	4.7
55.05507	22.6
57.03426	10.4
57.07065	4.9
61.02916	7.0
67.05502	90.6
69.03415	13.6
69.07072	18.9
69.96304	20.4
71.04985	4.5
71.08629	3.8
79.05502	61.4
81.03424	10.7
81.06573	6.9
81.07057	100.0
83.05028	7.7
83.08627	14.7
85.02911	11.5
91.05476	37.2
93.07043	73.7
95.04971	12.4
95.08607	69.5
97.02884	9.7
97.07548	3.3
97.10181	4.3
105.07037	37.9
107.08577	37.7
109.06518	10.7
109.10162	35.1
111.04423	4.0
111.08138	5.5
117.07031	16.8
119.08594	30.9
121.10135	41.6
123.11691	18.3
129.06982	6.1
131.08569	31.3
133.10103	22.8
135.08061	6.7
135.11693	29.3
137.13242	6.5
143.08543	5.3
145.06473	4.3
145.10139	23.8
147.04424	7.7
147.11720	17.8
149.09628	4.8
149.13269	20.7
157.10112	7.2
159.11713	23.1
161.13290	9.8
163.07489	3.9
163.14822	10.4
169.10176	6.9
171.11714	6.0
173.13245	12.9
175.14795	5.7
183.11603	3.6
187.14862	5.2
189.09042	7.8
201.16431	4.7
213.16350	3.7
236.76820	4.4
243.21103	15.1
261.22119	61.5
279.23148	4.2
291.23380	4.6
308.41125	4.5
313.21838	3.5
333.38727	3.2
335.25861	4.5
345.24075	4.5
353.26923	9.4
369.24042	10.6
375.31387	3.6
387.25653	5.2
395.17987	5.1
405.26260	9.1
515.37616	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05511	22.9
57.03420	14.7
57.07072	4.0
57.10220	2.9
61.02914	4.3
65.03901	3.2
67.05505	99.1
68.04081	2.8
68.91953	3.2
69.03416	9.0
69.07066	16.4
69.34504	33.0
73.02916	4.2
79.05491	55.1
81.03410	7.2
81.06588	5.9
81.07054	100.0
83.04955	5.3
83.08607	10.9
85.02886	9.4
85.06533	5.6
91.05476	40.7
92.37984	2.9
93.07039	62.9
93.81263	3.4
95.04955	10.5
95.08604	71.8
97.02881	7.6
97.06487	8.3
97.10136	4.8
99.08105	3.5
105.07019	29.2
107.08598	37.6
107.18356	2.8
109.06510	6.3
109.10166	34.3
117.06995	14.9
119.08591	16.7
121.10145	30.6
123.07977	3.6
123.11719	17.6
129.07002	6.2
131.08530	26.9
133.06529	4.8
133.10143	18.3
135.07968	3.2
135.11688	31.9
137.13213	3.1
143.08479	5.7
145.10115	18.4
147.11661	13.7
149.13261	16.1
159.11647	14.4
161.13264	11.6
163.14807	9.8
171.07959	3.8
171.11676	3.7
173.13275	15.9
183.11798	4.0
187.14816	8.3
191.14293	4.0
199.14810	4.9
234.90318	3.0
243.21066	18.5
261.22141	56.6
279.06955	3.1
279.23126	5.2
303.23105	6.9
320.99646	3.7
335.25912	19.5
351.23120	3.9
353.26700	12.3
363.25589	3.4
394.48438	3.1
419.28375	3.9
443.27914	4.2
461.28711	3.8
491.68762	3.2
497.30603	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	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.3
57.85997	0.3
67.05473	0.4
67.93279	0.3
71.59632	0.4
79.05466	0.3
81.07045	0.4
93.07036	0.5
95.08587	0.7
97.10202	0.4
109.10179	0.5
119.08557	0.4
121.10171	0.5
131.08572	0.4
145.26088	0.3
193.64653	0.3
313.21564	0.4
333.24426	0.3
358.10620	0.4
379.66223	0.4
515.31897	100.0
516.32147	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.7
59.70996	0.6
67.05482	2.1
69.07049	0.7
69.25904	5.9
69.26311	1.3
71.16575	0.6
79.05476	2.5
81.07049	1.8
83.08630	0.8
84.46449	0.7
91.05485	1.1
93.07051	1.2
95.08592	0.7
100.33159	0.7
105.07004	1.0
107.08567	0.8
119.08601	1.4
133.10115	0.8
135.11664	0.6
139.31911	0.7
145.10193	1.0
159.11766	1.0
176.16936	0.6
203.05255	0.9
214.25102	0.6
303.65906	0.7
347.56833	0.7
373.31689	0.6
423.32785	0.9
515.31836	100.0
516.32306	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46593	0.6
55.01846	0.7
55.05507	1.0
67.05505	0.7
69.03428	1.4
70.06590	3.5
71.58658	1.1
79.05453	0.8
81.03432	1.1
81.07037	1.3
84.04475	0.7
85.02908	1.2
86.09671	0.7
91.05473	1.7
95.08613	1.2
97.02895	1.3
105.07098	0.9
107.04945	0.6
107.08606	1.2
109.02837	0.7
109.06521	0.7
109.10155	1.0
119.01916	1.0
123.04483	0.7
123.08087	0.6
124.27103	0.7
127.03965	1.7
131.08699	0.6
133.10175	1.4
139.36658	0.7
141.49081	0.6
145.72131	0.7
151.07584	0.7
161.03018	1.4
165.05554	0.8
175.04424	0.8
177.00797	0.7
186.02229	0.7
191.24669	0.6
245.06444	1.0
267.15616	1.9
271.04202	0.9
289.05344	1.5
300.15170	0.8
309.15442	1.4
393.78586	0.6
411.19727	3.1
429.21213	4.0
435.19897	1.2
446.63269	0.7
453.21066	5.1
471.15182	1.1
471.22043	22.1
479.19055	0.9
497.19913	9.5
515.21027	100.0
516.21057	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	515.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05503	1.2
56.22322	0.5
57.03429	0.6
61.56651	0.5
67.05495	1.1
67.61128	0.5
69.03423	1.9
69.07057	1.1
69.41968	5.0
70.06575	1.5
79.05476	1.1
81.03418	1.5
81.07039	1.5
83.04987	0.8
84.04472	0.6
84.08147	1.4
85.02897	2.2
85.06539	0.7
86.09695	1.4
91.05473	1.0
93.07037	1.5
95.04950	0.7
95.08645	1.4
97.02882	1.2
97.06543	0.7
105.07026	0.8
107.04985	0.7
107.08590	1.6
109.02876	1.8
109.10189	0.9
111.08060	0.7
119.04919	0.7
121.10191	1.0
123.04451	0.7
123.08085	0.6
127.03876	0.9
133.10112	1.0
134.99684	0.8
135.08098	0.7
147.04472	0.9
159.98111	0.5
161.09598	0.5
177.00726	0.8
180.00089	0.6
186.02185	0.6
187.02458	0.6
197.06639	1.6
215.07784	0.8
215.90561	0.7
245.06372	3.7
249.14616	1.0
267.15680	5.8
271.04257	1.8
289.05286	11.8
309.15411	1.7
327.16458	1.3
413.46039	0.7
422.39783	0.6
429.20966	4.8
453.21048	1.2
471.22000	20.4
497.19739	0.9
515.20959	100.0
516.21252	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	514.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.05500	14.3
56.67051	4.5
63.45958	4.9
67.05490	18.7
69.03435	14.4
69.07055	5.7
70.06577	8.7
71.05028	5.2
71.58882	4.4
71.59344	10.5
72.08163	14.9
79.05495	13.2
81.03416	98.8
81.07056	19.9
83.04979	10.8
83.08621	30.3
84.08111	4.9
85.02905	17.2
86.09697	7.3
91.05505	23.7
93.07038	15.1
95.04967	36.7
95.08589	7.0
97.02904	5.6
97.56052	4.7
98.41247	5.8
102.05547	29.9
105.07039	16.9
107.04974	9.4
107.08595	15.7
109.02845	10.6
109.10161	7.9
111.04425	4.8
111.08073	15.5
119.04917	6.7
119.08583	20.0
120.08116	23.9
121.06538	5.5
121.10109	7.4
121.46802	5.1
122.06047	4.6
123.04428	11.3
127.03954	8.9
129.06984	7.2
131.08560	13.5
133.10130	13.2
135.36057	5.3
137.05994	4.9
140.07053	6.8
144.53642	5.4
147.04419	6.5
147.08020	7.8
147.11699	15.9
149.09567	5.3
152.14401	12.0
157.10159	16.6
160.09682	47.9
163.11182	6.6
166.08626	12.2
173.09631	6.2
175.11148	20.3
193.12250	90.5
200.74586	5.1
211.13249	10.4
235.13260	10.5
266.13937	8.4
267.15952	51.6
285.16937	100.0
286.17090	7.0
301.14484	11.6
309.16913	6.7
313.11868	9.1
319.15649	10.2
337.10596	5.1
337.16357	8.3
373.13849	33.1
389.69626	5.3
446.84747	4.8
453.48013	5.1
514.20313	18.0
514.31909	5.4
530.61505	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	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.8
55.05497	11.1
56.33204	5.6
57.03415	6.9
67.05503	16.7
69.03419	10.4
70.06559	4.7
70.94048	5.9
70.94386	11.0
79.05499	10.9
81.03416	100.0
81.07046	10.6
83.04990	10.2
83.08620	21.0
85.02915	23.1
86.04898	4.8
91.05487	12.6
93.07037	9.8
95.04948	31.1
95.08593	7.5
97.02899	15.6
105.07059	13.6
107.04929	10.2
109.02888	8.0
110.06039	4.9
111.04463	6.2
111.08083	11.0
119.08565	10.8
127.03925	12.7
129.07060	7.1
131.08623	7.4
133.06532	7.0
133.10112	5.1
136.07573	5.6
140.07121	9.4
145.04976	7.3
147.04424	7.1
147.07968	5.8
147.11693	9.2
149.09634	8.0
157.10133	15.5
161.13297	4.7
163.03639	5.0
175.11243	17.5
189.66504	5.4
193.12251	90.3
193.13896	9.3
211.13379	5.4
211.15291	5.1
267.15894	62.0
285.16946	85.1
309.16992	13.3
350.93637	5.2
429.20996	8.2
460.19440	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	514.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19326	0.4
51.71402	0.3
53.03943	0.8
55.27993	0.3
56.96569	0.7
61.30207	0.4
66.56856	0.4
70.06570	0.4
71.57580	0.4
71.57964	0.6
76.02261	0.4
85.02908	1.0
91.05473	3.8
93.07046	5.9
95.04448	0.4
95.04943	2.4
97.02878	0.7
98.97559	1.3
103.05468	4.2
116.98630	1.5
119.04928	0.9
121.06499	100.0
122.06838	1.6
128.98532	0.6
134.99663	0.8
135.04503	0.6
137.05978	1.4
138.09132	26.1
139.09602	0.4
146.99641	0.7
147.04393	1.0
154.08617	0.4
161.01184	0.9
163.03905	1.6
165.99007	0.4
177.00713	0.6
203.02260	0.5
219.01778	0.6
223.00600	1.5
237.02824	1.3
301.63580	0.5
318.11749	0.4
497.07892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29588	0.7
64.99470	0.7
69.03422	2.4
69.84438	3.9
70.06583	1.5
73.02903	0.8
73.20957	0.8
81.03408	3.2
81.07007	0.8
84.04963	0.7
85.02911	9.3
91.05484	1.2
97.02890	5.7
98.21609	0.9
99.04447	4.9
103.03939	8.6
103.05404	0.8
109.02859	2.5
118.06544	1.2
127.03917	10.0
128.04965	6.6
128.07060	4.4
134.05997	2.0
135.06795	0.8
137.05988	1.0
145.04968	5.2
146.06001	100.0
147.06337	2.8
148.03932	1.7
149.88361	0.9
163.03925	1.3
163.05995	3.0
177.05501	1.1
186.02176	1.5
190.04973	13.2
201.10277	1.8
208.06026	5.7
216.96443	0.8
352.11917	1.9
353.17108	1.7
441.99692	0.8
514.16785	0.9
515.22119	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	514.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
59.48041	0.5
65.03911	0.9
67.05493	1.1
69.03420	1.6
71.58273	0.6
72.22586	0.5
76.04013	0.6
83.04988	3.9
85.02895	1.2
93.03393	1.0
95.04969	3.4
111.04439	6.7
121.01066	1.2
129.05464	1.8
139.03864	2.2
146.05956	1.4
147.02570	0.6
147.04433	0.8
149.00508	0.8
157.04881	0.9
160.05185	1.3
163.02150	3.6
163.03856	1.9
163.82797	0.6
173.00586	1.7
177.00041	6.0
179.01610	3.3
188.01680	2.3
191.01595	3.3
195.01164	1.8
201.00046	6.8
203.01624	2.0
204.99550	14.6
206.02695	0.7
207.01173	2.2
217.07056	1.8
219.01106	19.3
221.02698	1.7
223.00592	100.0
224.00928	1.9
234.02184	12.5
237.02373	0.7
241.40015	0.6
247.00616	2.8
265.01654	28.6
280.02734	22.5
304.71561	0.6
375.05289	3.2
379.05029	0.6
393.06320	14.1
397.05750	1.4
411.07428	29.8
412.07773	1.1
421.05539	0.8
439.06879	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	513.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08824	4.9
52.65381	5.4
55.01867	15.7
55.05515	46.1
57.01028	5.3
57.03423	19.0
66.47783	5.1
67.01860	12.7
67.05504	100.0
69.03427	11.3
69.07070	34.9
71.04966	9.5
71.08624	5.7
73.02914	6.2
79.05490	52.9
81.03415	23.9
81.07063	97.1
83.01326	5.9
83.04988	11.6
83.08625	20.1
85.02892	15.0
85.06512	6.4
88.07652	6.1
90.00426	5.1
91.05479	42.0
93.07051	54.9
95.04981	14.6
95.08610	38.3
97.02874	5.7
97.06546	14.1
97.10173	19.0
99.08075	7.0
105.07054	35.6
105.10972	4.9
107.04956	24.3
107.08598	24.1
109.06530	7.5
109.10152	42.5
111.08051	7.1
115.05453	8.7
117.06984	6.8
119.04917	6.6
119.08578	22.9
121.06489	11.9
121.10129	21.8
123.08035	7.8
125.09619	14.8
127.03912	5.9
128.06146	6.9
129.05478	20.1
129.07002	9.3
130.07823	4.8
131.08566	23.0
133.10114	17.3
135.04370	5.6
135.08064	8.8
135.11702	13.3
137.09572	7.5
143.08577	11.4
145.10135	11.3
147.04390	7.5
147.11664	12.5
149.13290	7.4
151.07555	7.4
151.11232	7.0
155.08563	6.6
157.10091	10.1
159.08084	6.2
159.11667	9.9
161.05995	16.3
161.09665	6.3
163.07491	6.7
165.05504	21.5
167.07027	18.3
171.08044	9.3
173.06017	7.0
173.11755	13.3
175.07492	13.9
177.09061	6.3
179.07088	7.0
179.14265	16.6
181.10094	6.9
185.06128	7.0
187.07596	16.1
189.05470	14.7
189.09119	6.6
191.07037	20.0
197.06044	7.5
201.05507	7.5
201.09084	12.6
203.07120	12.1
203.10817	8.5
204.07848	10.1
205.08632	15.7
207.10072	6.7
211.07555	9.2
213.05414	6.4
213.09073	12.7
215.07111	12.8
215.10706	10.5
217.08589	15.5
218.74924	6.3
219.10146	18.5
221.09676	8.1
221.11668	12.6
225.09157	7.2
227.07104	6.9
227.10497	11.8
229.08669	8.6
229.14384	28.9
231.10143	9.5
235.13295	10.0
239.10701	9.8
241.08760	6.9
241.12334	7.0
245.11732	22.2
247.13322	10.5
255.10234	6.7
257.11813	9.7
259.13284	24.3
269.15207	13.0
271.13373	7.6
277.21619	22.5
279.13327	6.1
299.16299	11.1
301.18069	13.0
304.62723	6.0
313.17993	8.1
315.15909	9.0
327.15851	9.4
333.17105	9.1
341.17587	5.8
359.18454	30.0
370.17642	5.4
379.22717	8.1
407.22037	11.5
411.25543	13.1
421.23633	12.0
423.27475	5.9
425.22672	6.1
439.24734	56.3
457.25723	69.1
495.30804	23.7
513.31940	97.4
513.50598	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
54.65945	2.6
55.05508	13.4
57.03424	11.8
57.07074	2.8
59.69881	3.3
61.02924	19.1
63.59741	2.4
64.59454	2.4
65.03928	3.0
67.05510	40.3
69.03425	8.0
69.07067	18.2
71.05021	3.5
73.02907	7.5
79.05073	3.3
79.05498	42.7
79.20181	2.7
81.03410	8.2
81.07053	41.1
83.04960	3.0
83.08617	4.2
85.02917	14.4
85.06543	6.3
91.03954	9.3
91.05491	37.8
93.07047	53.3
95.04960	7.2
95.08617	29.6
97.02914	14.2
97.06501	3.9
98.20795	7.7
99.08057	4.2
104.31547	3.3
105.07027	37.9
107.04926	4.0
107.08605	28.0
109.06514	4.0
109.10160	17.8
117.07003	12.3
119.08578	36.0
119.51973	2.9
121.06541	2.8
121.10149	29.1
122.61991	2.8
123.04430	3.0
123.08016	3.5
125.06109	2.7
125.09661	4.4
129.06967	9.2
131.08559	17.2
133.10120	34.8
135.08092	3.9
135.11690	28.5
142.07837	2.8
143.08545	9.4
145.10121	20.6
147.11685	29.6
149.13257	16.6
151.11150	2.6
157.10147	11.7
159.11668	15.9
161.09604	2.6
161.13254	23.7
163.14815	6.7
171.11725	13.7
173.13284	11.6
175.14896	15.4
177.12732	4.2
185.13292	8.3
187.14799	4.0
199.14830	3.9
203.14337	3.4
208.68494	2.6
229.14655	2.7
231.17404	3.1
241.19516	23.1
259.20554	51.9
277.21640	15.4
333.24225	8.5
351.25311	100.0
351.29584	5.5
352.25546	5.8
441.26511	4.3
459.27167	4.0
495.29443	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
55.01863	12.4
55.05511	27.6
57.03434	20.9
57.07064	7.5
59.04994	4.4
59.25962	2.2
61.02922	41.4
65.03922	3.5
67.05505	84.0
69.03435	25.1
69.07062	23.6
69.47176	2.0
70.19509	9.6
71.01350	2.4
71.04987	7.5
71.08630	3.5
73.02912	19.7
77.02230	2.1
79.05492	44.9
79.55067	2.2
81.03429	15.4
81.07059	96.3
82.63645	2.0
83.04968	9.5
83.08626	14.8
85.02906	39.0
85.06524	5.9
86.31072	2.1
88.07626	2.1
91.03946	20.9
91.05479	44.3
93.06477	3.1
93.07043	52.8
95.04972	15.8
95.08604	58.4
97.02890	28.3
97.06541	13.0
97.10146	10.4
98.20799	2.7
99.04446	5.8
99.08060	7.6
101.02361	10.3
103.03903	3.9
105.07034	34.1
107.04934	6.5
107.08584	28.5
109.02867	9.1
109.06500	9.7
109.09465	3.2
109.10152	43.4
110.50855	2.2
111.04424	2.7
111.08083	6.6
116.04792	2.2
117.06997	6.9
117.47425	2.5
119.08577	27.6
121.06497	7.0
121.10141	21.5
123.08114	2.8
123.11690	7.3
125.09608	8.3
127.03919	19.1
128.06223	2.1
129.05450	9.3
129.06972	7.3
131.08562	10.4
133.06470	4.3
133.10121	25.8
135.08066	4.2
135.11708	22.8
137.09628	4.3
143.08530	6.1
145.04956	3.4
145.10109	5.8
147.04381	3.0
147.08020	3.9
147.11722	15.4
149.13280	18.6
151.11177	6.2
151.14725	3.0
157.10115	5.1
159.11656	7.9
161.13242	17.1
163.11151	3.1
163.14833	3.4
165.12708	5.3
171.11696	8.9
173.11717	6.9
173.13174	3.3
175.11189	3.4
175.14828	9.3
177.12709	3.8
179.14281	11.4
183.06358	4.2
185.11740	2.6
195.13853	4.6
207.13808	3.4
229.14334	14.6
231.21001	15.3
241.19560	6.1
249.22072	10.4
259.20541	11.9
269.17526	4.4
277.21613	100.0
278.21988	2.9
295.22665	10.0
301.20776	2.3
351.25226	49.5
351.51447	2.7
375.16119	2.7
423.27554	3.8
452.00882	2.3
495.29880	5.0
501.78696	2.3
513.30408	10.2
513.51221	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76282	6.9
53.03931	7.2
55.01865	16.1
55.05510	39.2
56.96568	7.8
57.03422	24.9
57.07067	6.3
61.02910	27.9
65.58700	5.5
67.05505	100.0
69.03414	19.3
69.07066	34.1
69.60577	25.9
69.61003	24.5
73.02883	17.1
79.05493	79.4
81.03400	20.1
81.07055	99.1
83.04986	11.8
83.08608	20.5
85.02904	32.0
85.06538	10.9
91.03925	12.8
91.05469	76.3
91.15291	6.2
93.07036	94.7
95.04952	7.2
95.08611	54.1
96.96229	6.3
97.02874	28.3
97.06511	12.2
97.10169	11.0
99.04441	9.0
100.13015	6.8
103.63319	6.9
105.07032	70.7
107.04935	7.9
107.08607	52.2
109.06486	12.6
109.10141	48.4
111.80106	7.4
117.07011	21.9
119.08593	67.1
121.10157	52.2
123.11674	11.2
127.03916	13.9
129.05406	10.4
129.06995	17.5
131.08566	37.5
133.10139	54.9
135.11679	32.9
143.08569	18.9
145.10118	38.2
147.11711	45.3
149.13240	29.9
155.08574	9.8
156.43199	6.8
157.10066	35.0
159.11685	32.9
161.13222	38.1
163.14848	9.2
171.11716	26.6
173.11864	9.4
173.13246	26.8
175.11307	7.8
175.14774	16.6
183.11688	8.4
185.13266	18.9
187.14828	12.1
197.13123	10.6
199.14824	7.1
229.14331	24.2
231.21100	9.9
238.01028	7.6
241.19528	22.1
243.21036	7.1
257.18906	8.7
259.20596	54.9
269.10611	8.7
275.20218	9.8
277.21643	62.4
282.49973	7.3
351.25348	75.4
365.98984	6.9
367.22635	13.3
385.23636	20.5
403.24762	23.2
421.25882	39.4
446.36719	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.7
57.03419	7.1
61.02912	14.8
66.36266	3.7
67.05510	31.3
69.03427	8.4
69.07059	15.1
69.34858	36.3
71.08627	7.3
73.02899	7.6
75.95553	3.4
79.05496	29.3
81.03391	5.8
81.07053	44.4
83.05003	4.0
83.08633	7.9
85.02894	17.0
85.06500	4.9
91.03940	9.0
91.05473	27.6
93.06540	5.0
93.07041	43.0
95.04974	6.3
95.08597	28.3
97.02890	18.5
97.06505	3.8
99.08074	4.7
105.07032	34.3
107.04975	5.0
107.08582	33.8
109.10130	10.9
109.69656	3.2
117.07035	6.2
118.43208	3.7
119.08583	28.8
119.49269	4.0
121.10163	25.2
129.06998	3.8
131.08551	15.9
133.10159	25.7
135.11671	34.1
143.08548	7.2
145.10124	17.1
147.11679	29.2
149.13283	21.9
157.10133	7.6
159.11684	14.9
161.13269	24.4
171.11653	6.6
173.13249	13.5
175.14815	12.1
179.14319	29.4
185.13246	5.2
189.12825	3.9
199.14815	5.9
231.21014	4.2
241.19537	19.1
259.20569	48.3
277.21634	21.1
283.90692	3.6
292.44128	3.7
351.25302	100.0
403.25342	3.7
431.70819	4.0
448.50320	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99578	5.7
53.03949	16.0
55.01866	17.9
55.05305	4.5
55.05514	47.2
57.03427	30.7
57.07083	10.0
61.02912	16.0
67.05502	99.1
69.03434	32.2
69.07061	39.3
69.82880	8.6
69.83289	21.7
71.04989	17.7
71.08625	12.7
73.02920	13.6
79.05489	59.4
81.03417	72.0
81.07056	100.0
83.04974	30.2
83.08151	4.9
83.08619	20.3
83.25018	4.6
85.02918	45.1
85.06544	8.9
87.04449	5.2
91.03929	9.2
91.05483	63.1
93.07033	62.1
95.04958	28.5
95.08611	51.8
97.02880	38.4
97.06531	11.7
97.10153	16.3
98.20818	5.9
99.04447	13.1
99.08102	13.7
101.02389	6.5
101.43237	4.9
103.03947	16.8
105.07024	44.3
107.08591	49.0
109.02880	16.3
109.06530	9.5
109.10155	33.4
111.04436	12.9
111.08070	9.3
115.03918	7.1
117.07033	13.6
119.04919	5.8
119.08562	36.6
121.06490	7.7
121.10146	33.8
123.08087	8.7
123.11717	16.0
125.09681	9.1
127.03898	27.2
128.91980	4.8
129.05452	9.5
129.07030	7.2
131.05022	4.9
131.08575	16.8
133.10136	34.4
135.11707	26.9
137.09630	9.1
145.04942	7.7
145.06447	7.7
145.10127	18.8
147.11714	30.0
149.09602	5.8
149.13264	22.8
151.11214	13.0
157.10129	8.8
159.11711	19.4
161.13213	23.3
162.74237	5.0
163.11110	6.0
163.14909	6.6
165.12749	7.8
171.11757	13.4
173.04445	5.8
173.11717	15.7
173.13177	8.7
175.14833	7.9
177.12779	9.4
179.14337	6.3
185.13181	5.4
195.13875	17.0
217.15697	5.9
219.13829	6.2
229.14345	19.0
231.21132	11.3
241.19485	11.7
249.22171	7.6
259.20599	30.8
269.17496	15.5
277.21609	66.1
339.17932	6.4
351.25351	73.8
385.24139	5.3
413.21832	18.3
467.66913	5.7
480.71100	5.9
490.39816	5.1
495.28986	9.5
513.30292	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01875	15.9
55.05513	29.3
57.03431	23.6
57.07071	3.4
59.04983	3.2
63.75665	3.0
65.03922	4.5
67.05505	100.0
69.03417	6.1
69.07081	16.8
71.04995	6.4
71.59216	6.1
72.83935	2.7
73.02908	7.9
79.05495	33.9
81.03414	8.0
81.07057	52.8
83.04984	7.8
83.08622	20.9
83.80788	3.1
85.02892	8.2
85.06544	6.7
91.05479	23.4
93.07037	31.5
95.04966	9.3
95.08614	19.3
97.06526	5.7
97.10165	13.2
99.08126	2.6
105.07056	13.9
107.07970	3.3
107.08581	18.4
109.10156	66.6
111.08068	10.3
116.04698	10.8
117.07028	7.1
119.08569	13.1
121.10136	10.6
123.11697	5.8
125.09631	12.4
129.05476	32.7
131.08582	6.7
133.10098	7.6
135.11668	8.3
137.09618	4.9
142.86705	3.0
143.07037	9.8
145.10168	3.5
147.04414	4.6
147.11745	4.1
149.13257	9.8
150.25705	3.0
155.10654	3.1
157.08578	7.3
159.11696	5.7
163.11176	3.3
173.11719	28.7
185.11749	10.1
195.13826	7.7
229.14336	44.1
256.26471	3.5
269.17438	12.8
283.26401	3.2
389.96252	3.2
423.27292	15.3
501.93387	3.0
513.30151	10.8
513.36566	5.0
513.50787	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	3.2
53.03947	21.9
55.01865	17.2
55.05309	3.3
55.05514	40.1
57.03428	27.1
57.07077	6.4
61.02920	8.7
65.03934	3.9
66.95744	3.0
67.05173	5.1
67.05503	79.6
69.03423	63.4
69.07069	31.4
71.04997	16.7
71.08630	13.5
73.02925	7.5
79.05492	47.5
81.03417	100.0
81.07056	99.8
83.04974	34.8
83.08614	23.8
85.02906	46.3
85.06546	6.6
91.05484	49.4
93.07036	59.0
95.04967	22.0
95.08609	49.6
97.02887	54.4
97.06516	16.7
97.10165	10.5
98.21509	7.3
99.04463	16.8
99.08080	20.5
99.74001	3.0
101.02370	5.2
103.03974	8.0
105.07034	39.4
107.04954	12.1
107.08592	44.8
109.02883	25.4
109.06519	8.0
109.10157	26.7
111.04427	9.8
111.08099	9.9
115.66209	3.3
117.07021	16.8
119.04952	3.5
119.08588	25.1
121.06528	11.5
121.10134	26.3
123.04404	5.6
123.08070	5.1
123.11694	9.3
125.09666	6.6
127.03915	29.5
129.05499	12.4
129.07002	10.6
131.08603	16.4
133.10135	19.9
135.08032	5.0
135.11710	16.1
137.06038	3.4
137.09587	6.5
137.13272	4.1
139.11134	4.0
143.08574	10.5
145.04939	6.3
145.10141	11.1
147.07928	5.4
147.11697	16.0
149.09610	6.3
149.13249	17.8
151.11183	17.3
155.08626	4.0
157.10115	7.6
159.11691	19.1
161.13260	14.6
163.11165	9.6
165.05469	3.9
165.12756	10.4
167.08649	3.2
167.10672	3.2
169.10126	3.2
171.11714	7.3
173.04449	13.7
173.13252	6.9
177.12785	9.5
179.14288	8.3
181.12288	4.1
183.06476	4.2
185.13309	5.5
187.10939	4.3
189.12825	5.0
193.12282	4.9
195.13797	18.5
201.07506	3.1
203.14392	4.7
204.02518	3.4
209.19232	3.1
213.14775	4.9
227.12688	6.4
231.21106	5.8
249.14905	5.4
249.22124	5.6
259.20557	7.3
267.15848	4.0
269.17441	16.6
277.21649	56.0
295.22556	4.0
301.64325	3.1
303.15958	3.5
339.18054	4.9
343.22314	3.6
346.69116	3.0
351.25226	36.2
359.22110	3.0
369.26318	3.6
413.21689	28.2
477.28931	3.6
495.29428	8.3
513.14215	15.4
513.30811	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67322	5.8
55.01874	6.7
55.05501	23.6
57.03439	14.1
60.27885	5.1
61.46914	5.6
65.03946	6.4
67.05175	8.8
67.05508	100.0
69.03426	20.6
69.07050	20.1
69.35493	6.1
71.01340	14.1
71.04995	7.6
71.59075	7.8
73.02927	15.1
73.10730	5.9
79.05495	56.3
81.07056	93.4
83.04945	8.2
83.08615	13.1
85.02895	32.6
91.05471	46.1
93.07043	68.7
95.01354	15.1
95.04979	14.9
95.08604	69.2
97.02900	13.5
97.06555	14.4
101.02324	6.9
102.09608	5.9
103.03975	6.3
105.07040	31.6
107.04959	8.6
107.08604	35.2
109.10165	38.2
113.02357	11.0
117.07027	18.1
119.08583	20.9
121.10144	28.1
123.11715	8.3
131.03436	9.4
131.08559	22.2
133.10132	22.8
135.11710	29.8
141.01833	16.1
141.06938	6.2
145.10114	14.0
147.11719	13.3
149.13228	14.3
159.11694	16.8
161.13268	13.0
173.13309	10.1
239.14279	6.3
241.88481	8.2
243.21086	12.9
261.22195	33.0
335.25735	24.1
339.12726	6.6
340.59229	6.9
493.27039	7.0
511.12497	6.6
511.28931	22.9
511.35077	11.3
539.08490	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	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01870	3.0
55.05505	7.0
57.03440	11.7
59.05006	1.7
61.02930	21.5
67.05508	23.3
69.03430	12.0
69.07064	6.4
70.07485	7.4
71.04999	4.9
73.02912	7.0
79.05499	22.9
81.03417	12.1
81.07049	22.9
81.80104	1.5
83.04980	5.4
83.08618	5.8
83.40519	1.7
85.02898	16.5
85.06538	2.7
91.03972	9.4
91.05479	26.8
93.07039	26.3
95.04980	4.4
95.08598	13.9
97.02911	12.3
97.06547	2.5
97.10191	2.1
99.04458	5.6
101.02403	3.6
105.07034	22.4
107.04977	3.5
107.08599	15.0
109.02869	4.4
109.06522	4.3
109.10168	6.9
115.03923	1.7
115.05460	1.8
117.07037	9.1
119.08585	18.4
121.06513	1.6
121.10125	7.7
123.08110	3.1
123.11689	1.8
127.03943	5.7
129.07007	5.3
131.08585	14.7
133.10133	12.9
135.08089	3.6
135.11682	5.4
143.08600	2.7
145.04929	1.9
145.10118	7.8
147.11713	6.4
149.13264	1.9
155.08569	1.8
157.10141	2.4
159.11723	4.5
163.11168	1.7
173.13313	2.5
183.11708	2.0
185.13268	4.1
191.10646	1.6
191.14352	1.8
193.12274	2.0
193.29955	1.5
197.13524	1.6
201.16357	4.7
203.14389	3.8
211.13376	2.6
219.17448	100.0
257.19098	2.6
275.20090	15.7
293.21570	1.5
349.23770	11.1
392.49054	1.6
419.35626	1.6
511.28845	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	2.2
53.03938	6.8
55.01865	7.3
55.05508	21.1
57.03440	13.3
61.02924	31.3
62.02056	1.9
65.03927	2.9
67.05170	3.6
67.05502	42.8
69.03432	19.5
69.07064	16.1
71.01334	2.0
71.03998	3.9
71.04979	7.6
73.02917	15.1
75.15186	2.0
79.05489	47.8
81.03424	22.1
81.07055	41.1
83.04970	13.2
83.08607	6.3
85.02902	31.0
91.03956	17.0
91.05479	57.2
93.07037	34.9
95.04954	8.8
95.08605	24.0
97.02889	28.5
97.06513	5.6
97.10178	6.7
99.04423	6.3
101.02371	8.2
103.03929	5.4
103.05486	2.3
105.07026	62.2
107.04942	9.0
107.08586	21.9
109.02885	9.1
109.06520	2.3
109.10152	17.0
111.04482	2.3
111.08073	4.1
117.07024	18.2
119.08582	43.7
121.06513	3.7
121.10132	17.1
123.08051	2.4
123.11716	4.8
125.09627	6.0
127.03899	9.6
129.06970	5.0
130.07774	2.0
131.08568	24.4
131.78300	2.2
133.10132	48.9
133.34880	2.3
135.08061	7.2
135.11691	8.1
137.09602	6.8
143.08588	3.0
145.04956	5.0
145.10121	21.0
147.11691	25.6
149.09624	15.7
149.13199	2.4
151.11137	2.9
155.08546	4.2
157.10138	4.6
159.08122	1.9
159.11673	15.3
161.13234	8.9
163.11128	4.0
169.10089	4.5
171.11542	4.2
173.13266	11.3
175.11160	2.7
177.12737	2.1
183.11771	2.5
187.11203	2.5
187.14742	3.1
189.11176	2.7
197.13260	4.3
199.59682	1.9
209.15175	2.0
229.19560	2.1
239.18050	4.1
247.20613	6.0
257.19037	10.2
265.66025	2.3
275.20047	100.0
281.66583	2.1
293.21448	3.1
349.23706	32.7
377.23288	3.8
457.25458	2.9
482.26154	2.3
493.27863	2.9
511.28403	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	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01864	14.8
55.05505	18.7
57.03430	13.0
61.02932	33.3
65.03949	2.6
66.24014	2.6
67.05504	39.9
69.03428	20.9
69.07072	37.2
69.91851	14.8
71.04989	6.1
73.02914	13.1
79.05494	37.7
81.03425	33.4
81.07053	60.2
83.04977	11.1
83.08620	13.0
85.02899	31.8
87.04460	3.4
87.91624	3.1
91.03963	17.1
91.05483	52.9
93.07046	38.6
95.01331	9.2
95.04431	2.4
95.04955	16.1
95.08603	34.8
97.02898	26.7
97.06522	29.9
97.10170	6.3
98.21389	3.6
99.04444	6.4
101.02379	9.9
105.07028	81.0
107.04948	22.4
107.08570	18.3
109.02879	9.9
109.06532	4.1
109.10167	10.2
111.08073	3.8
111.26244	2.7
117.07020	18.4
119.08568	39.3
121.06489	5.7
121.10139	10.7
123.08090	4.5
123.11689	3.9
125.09602	5.8
127.03922	18.5
129.07001	3.1
131.08586	25.5
133.10133	49.5
135.08076	3.8
135.11694	9.5
139.07574	4.4
145.04926	4.9
145.06499	3.0
145.10138	23.8
147.11679	21.9
149.09590	8.0
149.13234	6.0
151.11110	4.1
157.10168	3.3
159.11702	15.3
161.13239	4.9
162.15427	2.7
163.11156	3.3
165.12830	3.2
166.84499	2.9
169.10088	4.4
171.11665	3.8
173.04564	2.8
173.13272	3.1
177.12854	4.3
179.14302	21.2
183.06604	3.6
187.11089	4.3
193.12296	3.9
193.92500	3.1
205.12305	2.7
239.17979	4.1
242.01515	2.5
247.20618	4.0
257.19028	10.9
275.20056	100.0
293.21097	4.7
349.23740	33.4
399.26749	2.9
411.90369	3.2
511.29007	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	15.3
55.01861	10.9
55.05510	31.4
57.03438	31.6
57.07080	3.9
60.68340	3.3
61.02927	10.5
67.05503	87.1
69.03431	58.6
69.07066	32.7
70.04058	6.0
70.09324	9.4
70.09723	8.3
70.36469	4.0
71.04985	15.0
73.02911	8.2
76.21005	3.6
79.05489	71.4
81.02980	6.0
81.03419	78.1
81.07056	100.0
83.04979	24.5
83.08617	13.1
84.65326	3.8
85.02895	38.4
85.06522	5.9
86.88603	3.4
91.03943	3.5
91.05479	71.6
93.07041	60.1
95.04945	17.4
95.08035	7.0
95.08601	56.0
97.02885	44.7
97.06532	13.1
97.10168	6.7
99.04459	14.7
99.68030	4.4
103.03938	6.4
105.07030	65.4
107.04954	12.9
107.08591	36.9
109.02865	21.9
109.06503	17.3
109.10146	22.2
110.47546	3.8
111.04427	6.6
111.08083	7.5
115.05460	4.5
117.07022	29.1
119.08581	49.1
121.06515	8.5
121.10143	27.8
123.08075	8.1
123.11696	11.2
125.09685	4.8
127.03916	23.3
128.06258	5.3
129.05547	7.3
129.07011	11.9
129.76352	3.3
131.08568	31.9
133.06480	5.6
133.10118	37.8
135.08070	9.3
135.11688	19.5
137.09615	8.8
141.06985	4.2
143.08553	9.2
145.04971	6.1
145.10118	26.7
147.08035	3.8
147.11670	28.7
149.09618	9.9
149.13268	13.9
151.11121	6.9
157.10141	14.8
159.11649	24.7
161.09595	6.5
161.13312	8.9
163.11205	10.4
165.12798	7.7
169.10136	4.2
171.10077	3.3
171.11653	7.4
173.04477	18.6
173.09633	6.0
173.13289	9.1
175.11162	7.6
177.12752	7.0
183.11763	6.7
185.13327	4.9
189.12717	4.5
195.13838	9.1
211.11295	3.9
239.17819	4.3
247.20625	10.7
249.14961	3.4
257.19031	17.1
261.14697	5.1
269.17508	11.1
275.20038	63.0
293.21210	5.6
296.05865	9.6
331.22656	3.4
349.23752	53.5
350.04608	5.6
355.17575	4.2
367.24982	4.1
376.63562	4.2
413.21762	22.5
419.24292	4.5
493.28183	8.7
511.29056	18.2
527.14301	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	511.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02739	0.6
53.03922	0.5
55.05494	0.9
59.21451	0.6
59.49271	0.5
67.05488	1.7
69.03423	1.4
69.07060	0.7
70.85622	1.9
77.51329	0.6
79.05515	0.8
79.48142	0.5
81.03405	0.7
81.07047	1.3
83.04974	0.8
85.02916	0.9
91.05449	1.0
93.07059	1.8
95.08615	1.5
97.02885	0.6
99.04494	0.6
105.07017	1.7
107.08604	1.2
109.10144	1.1
116.72917	0.6
119.08596	1.2
121.10155	0.8
127.03721	2.2
147.11687	1.0
167.07019	1.0
176.04430	0.6
180.04350	0.6
185.04228	1.7
187.11148	0.9
201.05278	1.8
216.07585	9.3
217.08362	3.9
277.98508	0.6
317.08429	22.5
349.23859	0.6
379.13547	1.0
441.88235	0.6
481.17096	0.7
511.17883	100.0
512.17804	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	511.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01874	1.3
55.05484	1.1
69.03419	2.1
69.07045	1.4
70.06593	2.6
70.58512	3.4
70.87921	1.1
75.04492	1.7
77.75576	1.1
79.05479	1.5
81.07063	1.5
82.31635	1.2
85.02888	2.5
86.09620	1.2
87.04427	1.1
90.53354	1.1
91.05478	12.9
93.03413	2.8
93.07039	1.8
94.03725	1.2
105.06998	1.1
106.04159	4.1
119.01930	2.3
119.04932	2.1
121.06499	5.4
122.06849	2.3
123.07920	1.2
125.05978	1.3
126.54958	1.2
137.05969	2.3
145.03545	2.2
147.04410	3.9
149.05984	8.1
150.06323	3.5
153.09088	1.9
155.03194	1.6
173.02943	1.5
177.05472	3.8
178.05901	3.2
181.08655	2.9
182.08913	2.3
202.73148	1.1
209.08113	15.0
210.08430	12.0
223.87216	1.3
311.09827	4.0
341.08356	2.1
353.10837	4.1
359.09418	4.5
385.07263	2.4
401.08209	1.3
403.08572	3.9
407.13342	1.8
425.14206	7.5
449.14224	3.8
467.15256	96.6
511.14227	100.0
512.14423	1.7
523.77844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
57.03428	5.1
57.07077	24.4
60.08167	22.9
61.02904	4.2
61.28809	4.2
65.08466	4.1
67.05502	7.8
67.07660	5.4
70.55812	8.1
70.56192	9.0
71.08614	17.2
74.35793	5.1
81.07067	8.4
83.08585	5.6
85.10183	15.1
86.09702	47.5
95.08578	13.8
97.10150	6.3
104.10738	92.4
109.10148	6.9
111.11838	5.2
124.99984	31.5
141.01500	6.8
158.04138	6.2
184.07317	100.0
219.67189	5.3
239.23721	20.4
261.15451	5.9
313.27359	47.4
355.37927	5.3
492.34030	10.6
505.37686	5.1
510.35828	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	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.05513	13.9
57.03438	5.2
57.07077	91.2
57.33232	1.9
57.92781	1.9
67.00850	1.6
67.05504	29.9
69.03429	19.2
69.07069	19.5
69.53448	4.7
69.53863	9.4
71.04998	3.2
71.08633	69.5
79.05489	4.5
81.03423	13.1
81.07057	39.3
83.08616	26.2
85.02910	29.6
85.10183	38.3
93.07053	2.2
95.08610	57.8
97.02903	19.8
97.04655	1.7
97.10168	18.5
99.04477	6.4
99.11685	2.1
108.04463	2.8
109.02873	13.5
109.10173	24.8
111.11724	4.3
123.11701	15.4
125.13303	4.6
127.03919	28.8
127.04799	2.4
137.13245	7.1
145.04955	25.5
151.14830	2.9
221.22676	4.5
236.73430	2.0
239.23691	100.0
257.24698	5.4
313.27325	2.8
329.27084	4.5
341.26868	3.3
383.27939	50.1
401.28955	84.2
472.65323	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	510.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
54.10620	3.3
55.01881	6.2
61.41495	4.1
69.03415	9.3
69.07074	3.9
69.68179	3.6
70.06587	8.5
71.58820	6.0
72.08154	3.8
79.05491	9.5
81.03423	7.5
81.07061	7.6
83.04988	3.8
84.08105	3.5
85.02905	11.7
86.09695	4.8
89.06023	3.6
91.05489	45.5
93.03423	12.3
93.07050	11.2
95.04987	8.2
95.08614	10.1
97.02901	14.1
103.05467	16.3
103.51076	3.6
105.03410	6.7
105.07032	10.4
106.04187	19.4
107.04941	7.8
107.08577	7.0
108.04501	4.8
109.02872	4.1
109.06538	8.3
110.06086	4.9
119.04948	34.6
119.08603	4.7
121.06518	32.3
121.10164	5.0
123.04472	7.4
124.05173	4.1
125.06030	7.5
127.03912	7.3
131.04936	14.9
132.05737	4.1
133.06563	7.9
133.10063	5.3
134.03638	4.8
135.04446	4.5
135.07997	4.0
136.03943	36.9
137.05989	10.7
137.99161	4.4
138.05544	8.5
147.04361	17.2
147.08038	8.6
149.05998	32.9
149.13322	4.0
151.07561	20.9
153.05472	14.6
153.09114	11.7
154.05006	42.1
159.08014	5.5
161.05977	26.8
162.06821	5.2
163.03996	6.0
163.07475	4.9
165.05493	6.8
167.07024	50.1
173.13300	4.4
175.07573	11.4
177.05495	27.3
179.07004	17.0
181.08592	18.9
187.07597	16.1
190.06300	7.1
191.07059	15.6
192.07840	7.6
195.06598	6.1
205.08588	41.0
209.08101	100.0
209.15440	5.0
223.04289	10.1
235.09709	7.8
292.89569	3.9
298.09317	5.1
339.12411	4.6
341.13867	4.1
357.17157	3.8
391.46576	4.4
510.25195	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	510.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01866	2.4
59.68717	1.1
60.04528	2.7
65.03928	2.7
67.05502	2.7
69.03403	2.0
69.95313	6.3
71.04989	1.2
75.04469	3.3
78.04705	2.2
79.05462	3.4
81.03424	2.0
81.07026	1.9
85.02907	4.7
91.05483	23.7
93.03397	9.2
93.07056	6.1
95.04967	5.2
95.08565	1.1
97.02894	1.7
97.06525	1.7
97.79568	1.0
98.20901	1.5
99.04446	1.7
103.05493	5.6
105.07066	2.4
106.04173	28.8
107.04948	2.4
108.08083	1.3
109.06458	1.3
110.07150	1.2
115.25734	1.0
119.04916	5.2
121.06500	25.4
121.10133	1.5
122.07279	1.3
123.04394	1.8
123.08021	1.8
123.11687	1.1
125.05963	8.1
125.09626	1.3
127.03863	1.3
133.06480	1.2
134.03604	3.8
135.04422	1.9
137.05981	8.2
139.07523	2.7
145.02759	1.1
147.04391	4.8
148.05174	3.5
149.05983	42.7
151.07532	3.0
153.05513	1.4
153.09103	11.5
154.24374	1.0
161.06012	1.5
166.06245	1.6
166.08604	1.8
167.06931	1.6
168.99481	1.9
177.05472	23.9
179.06987	2.4
181.08598	20.6
191.07047	1.7
193.03186	7.6
209.08090	100.0
210.08507	1.3
236.74120	1.1
264.54813	1.1
294.24155	1.0
330.26428	2.0
335.22467	1.3
359.09351	1.4
398.64011	1.3
425.14307	3.2
467.15298	24.6
511.14215	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	510.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.47462	0.4
55.01843	0.6
55.17522	0.4
56.04650	0.5
57.03419	0.9
58.06751	0.5
66.57111	0.4
68.05046	0.6
69.03412	2.8
69.07048	0.5
71.05003	0.6
72.33977	0.4
80.04987	1.4
80.50936	0.4
81.03419	8.0
81.51659	0.5
81.59834	0.5
85.02914	2.8
91.05470	0.5
93.11473	0.4
95.01323	3.0
95.01850	0.6
97.02890	6.9
99.04449	4.4
107.08572	0.9
108.04500	3.1
109.02862	3.5
109.10165	0.6
110.06071	0.6
110.59344	0.5
121.10051	0.5
123.08065	0.5
124.92867	0.5
126.05474	1.3
127.03918	3.7
136.03938	100.0
145.05080	0.5
153.05447	9.0
154.04988	35.6
183.13908	0.8
195.06493	1.4
213.07535	0.5
227.16414	4.1
249.33176	0.5
280.08154	16.3
298.09232	9.4
325.11978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3838
Annotation	Omaezakianol
Peak:m/z	Relative Intensity
51.39918	4.5
51.62487	4.7
55.05511	46.2
56.22171	6.4
57.03423	5.4
57.07066	9.5
63.13348	5.3
67.05506	100.0
69.07074	39.2
70.65887	16.6
71.08638	12.3
71.91002	5.6
77.23296	4.7
79.05503	34.1
81.07070	68.6
81.43562	5.5
83.04989	7.3
83.08633	26.9
91.05470	26.3
93.07027	34.0
95.08609	55.2
97.06559	9.9
97.10172	31.4
105.07030	12.7
107.08569	19.1
109.10164	45.3
111.08112	8.4
119.08588	17.6
121.10138	15.7
125.09602	13.0
131.08534	7.0
133.10133	16.1
135.11734	8.3
145.10077	11.0
147.11705	10.0
149.13327	5.9
153.09190	6.2
158.00464	5.6
161.13197	8.2
173.11768	14.4
189.11098	5.7
195.10808	6.2
229.14395	14.3
232.39851	5.7
267.05573	5.6
291.22940	5.9
337.27292	9.9
399.32541	20.4
417.33530	18.5
422.13525	5.7
435.34583	14.5
473.36197	9.4
491.37448	34.7
509.38651	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	509.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28505	0.7
53.03934	2.0
55.01863	1.7
55.05513	12.9
57.03430	2.0
61.17976	0.8
65.03920	1.5
67.05505	10.6
69.03440	1.0
69.07056	2.6
70.84238	2.6
71.04985	2.3
72.08155	91.2
73.02881	1.0
79.05132	0.7
79.05499	8.7
81.03433	5.3
81.07054	8.4
83.04992	3.9
83.08609	2.9
85.02889	1.8
85.06528	1.0
87.28461	0.8
91.05474	17.5
93.07042	7.4
95.04970	3.1
95.08595	3.6
97.02848	1.0
97.06516	1.3
97.10130	1.9
103.03949	1.2
103.05460	2.9
103.40665	0.9
105.07021	4.1
107.04946	2.0
107.08596	4.6
109.02874	1.9
109.06494	2.1
109.10132	3.6
111.04467	1.4
112.96771	0.7
117.07031	2.5
119.04942	9.0
119.08563	2.2
120.08104	100.0
121.06490	1.8
121.08457	0.9
121.10161	2.5
123.04434	1.3
123.08089	1.2
125.09650	2.3
126.12808	1.0
129.06996	2.3
131.08533	2.4
133.06496	0.8
133.10120	4.0
135.08034	1.3
135.11685	2.6
136.07578	96.2
137.05952	1.7
137.07889	1.1
143.08588	0.8
145.10089	2.4
147.07974	0.9
147.11848	0.8
149.09618	1.3
151.11182	1.7
153.12650	1.0
156.03206	0.9
157.10100	1.0
159.08031	1.1
159.11652	1.6
163.11159	2.2
171.14922	10.1
173.04514	1.1
173.11732	0.7
174.12753	3.5
177.99567	0.7
181.12263	1.3
190.12238	1.9
191.10585	1.2
193.12218	1.2
199.14470	11.0
209.11794	1.8
216.30803	0.8
219.14923	26.5
220.15239	1.1
227.12784	2.6
235.14403	8.0
238.12297	2.6
247.14426	27.4
263.13974	9.7
273.19379	1.3
283.14389	18.7
284.14603	1.0
301.19107	3.0
311.13885	22.1
317.18604	1.6
334.84256	0.8
337.19131	1.4
346.21335	5.7
362.20807	3.6
365.18530	2.8
367.22552	1.2
372.73419	0.9
385.23633	2.3
410.20901	5.8
509.27594	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2744
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03949	18.7
55.01873	23.5
55.05264	6.2
55.05507	85.8
57.03436	32.2
59.04985	6.6
65.03928	4.0
67.05502	93.7
69.03087	5.8
69.03426	77.6
69.07071	23.9
69.52164	31.2
71.01343	5.1
71.04987	28.1
73.02917	5.6
79.05489	100.0
81.03413	99.7
81.07055	82.9
83.04973	24.4
83.08612	33.3
85.02895	31.9
85.06567	9.0
86.23125	4.4
87.04468	4.0
91.05475	69.5
93.07038	56.1
95.04967	45.4
95.08600	35.9
97.02879	35.0
97.06516	15.2
97.10163	57.1
99.04452	18.8
101.02368	5.7
103.03922	4.7
105.07021	52.4
107.04961	36.3
107.08586	39.2
109.02875	23.7
109.06515	26.3
109.10157	34.7
109.11703	3.5
111.04434	8.3
111.08054	5.9
113.06001	4.9
117.07037	24.7
119.08591	45.1
121.06490	20.1
121.10146	33.4
123.04405	5.0
123.08044	15.7
123.11708	8.9
125.09634	49.3
127.03921	43.6
128.06200	4.4
129.06990	12.8
130.07678	3.8
131.04842	4.8
131.08553	30.8
133.06503	6.8
133.10144	18.8
135.08064	24.3
135.11682	7.1
135.70146	3.6
137.05901	5.8
137.09605	8.0
139.94913	3.5
141.06975	5.7
142.07822	6.2
143.08542	15.4
145.06497	10.8
145.10133	31.5
147.08025	21.9
147.11685	7.8
149.09604	12.4
153.09081	8.2
155.08568	8.1
157.10100	13.6
159.08052	9.2
159.11722	12.9
161.09583	11.8
163.11189	16.3
165.09088	8.4
166.07921	3.9
167.10596	4.9
169.09976	4.2
171.07967	4.6
171.10263	8.2
171.11674	7.0
173.04457	38.7
173.09627	7.3
173.13152	5.2
175.11171	7.2
175.80527	3.8
177.12634	6.3
183.11667	4.5
187.11258	6.7
189.11203	64.1
189.12701	4.1
191.14322	6.2
193.12225	5.6
195.11681	3.8
196.63734	4.6
199.11186	6.2
199.13373	5.4
201.12605	4.3
205.12247	4.9
209.11693	4.5
219.13737	9.3
223.13281	11.9
227.12755	16.3
233.15327	8.7
245.19058	5.7
249.15239	4.1
273.15610	5.7
273.18518	54.4
291.19559	63.6
293.17535	5.6
327.19620	3.8
347.22134	13.6
365.23251	13.2
367.22675	15.2
385.23715	18.2
435.23480	6.7
437.24979	4.3
459.27304	11.6
465.24365	16.8
477.28140	5.2
491.26337	3.7
491.57288	4.0
509.23260	29.4
509.27606	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2741
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03935	14.4
55.01862	8.9
55.05511	36.3
57.03434	19.7
65.03928	7.8
67.05501	75.5
69.03422	41.1
69.07050	20.8
70.27127	18.5
71.04979	24.8
72.08157	8.1
79.05500	51.0
80.71195	4.8
81.03414	100.0
81.07059	69.9
83.04974	24.1
83.08599	13.5
85.02895	12.5
91.05482	65.3
93.07037	51.0
93.72440	4.6
94.77184	4.6
95.04961	19.1
95.08604	32.5
97.02898	31.2
97.06501	10.1
97.10191	8.0
98.20805	6.7
99.04446	17.4
105.07034	64.5
107.04935	16.3
107.08599	61.8
109.02876	15.9
109.06519	10.2
109.10137	55.8
111.04430	6.6
111.08092	9.1
117.07031	15.0
119.08590	17.1
120.08125	7.2
121.06541	8.0
121.10140	12.7
123.11731	11.1
125.09556	8.2
127.03886	15.3
127.86258	5.5
129.05501	6.9
129.06972	7.8
131.08559	17.4
133.10127	75.4
135.08063	9.0
135.11649	8.2
145.10118	10.4
145.46574	4.7
147.08067	5.4
147.11685	8.8
149.09579	5.3
151.03828	5.9
151.11186	58.4
153.12781	6.1
153.57397	4.6
158.10529	6.0
161.09650	7.3
163.11188	11.5
167.94177	5.1
169.12282	5.7
173.04451	87.2
175.11188	6.0
179.10715	8.8
181.12247	6.6
183.06508	5.6
208.66922	5.7
215.12746	16.4
227.12779	20.3
248.98505	6.2
253.14259	23.8
263.20120	6.7
273.18503	10.9
291.19528	8.8
385.23444	6.2
465.28403	9.1
509.26938	24.5
511.62982	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01870	2.3
55.05507	2.3
57.03429	4.1
59.98426	1.3
63.41893	1.4
67.05498	2.2
69.03420	11.6
69.07071	2.0
70.06596	13.6
71.04987	20.6
71.58235	2.6
72.08152	2.2
73.02895	3.4
79.05479	2.0
81.03406	12.8
81.07047	1.9
83.04990	3.1
84.04485	2.1
84.08131	4.3
85.02905	19.8
86.09701	4.4
87.04455	1.6
89.06028	100.0
91.05473	3.9
93.07023	4.1
95.04977	2.2
95.08585	2.4
97.02893	44.8
98.06017	1.6
99.04457	6.0
103.03947	6.6
105.07011	2.3
107.04998	1.9
107.08558	3.3
108.04486	1.9
109.02869	15.1
111.04427	1.7
115.03905	1.9
119.04945	2.7
119.08588	1.9
121.06481	9.9
121.10119	2.5
123.08051	2.1
127.03900	16.6
129.10240	5.7
133.10100	2.0
135.06540	12.2
136.07553	2.2
141.05473	2.0
145.04968	13.7
147.04387	4.7
152.06963	1.9
153.05458	25.9
159.04428	4.9
165.05548	2.5
167.07024	2.4
177.05464	27.5
186.02191	2.6
187.03862	1.5
191.07080	2.4
195.06531	8.8
197.08148	1.9
205.08525	1.7
207.06490	4.6
207.13855	2.3
213.05864	1.8
213.07545	9.9
215.07039	2.2
215.09155	1.5
219.06525	15.3
219.08684	4.8
229.05000	1.9
231.06670	1.6
237.07582	11.3
239.83914	1.7
243.06615	3.1
261.07397	9.5
261.09790	6.5
279.08603	9.6
303.08572	6.8
321.09750	3.4
437.14288	1.9
489.33557	1.6
508.29236	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	508.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47142	1.1
57.03429	1.5
60.95265	1.1
61.02929	1.2
63.10114	1.4
65.03922	1.6
68.73583	1.2
69.03425	3.5
71.58470	2.0
71.59176	1.4
81.03396	1.6
85.02896	11.1
87.70914	1.1
89.16406	1.0
91.69666	1.1
96.00381	1.2
97.02863	2.7
97.10777	1.2
126.61243	1.0
127.03919	3.4
138.05504	2.1
140.23247	1.0
145.04977	1.5
147.04465	1.8
148.03926	31.4
163.03931	2.8
166.04997	85.9
167.05405	1.2
177.05405	1.5
184.06053	100.0
212.74818	1.1
346.11310	13.5
483.64853	1.2
508.16800	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	508.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43517	0.4
58.06571	1.4
69.59233	1.5
69.59661	2.0
71.72514	0.5
72.35506	0.5
94.08426	1.7
100.11281	2.6
112.09461	0.9
122.11539	0.6
125.95670	0.5
154.99265	0.5
165.98805	0.9
166.08400	100.0
166.10390	5.2
167.08780	1.4
176.16980	0.5
182.07901	2.0
184.11530	3.3
202.09247	1.9
205.20337	0.5
226.09238	12.6
227.09584	0.9
238.09177	0.8
244.10391	5.4
256.10281	1.3
286.11401	1.6
349.13086	0.7
417.29370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.05502	18.8
57.03416	3.4
57.07075	43.7
65.03957	2.4
67.05502	53.3
69.07068	25.3
71.08625	33.0
79.05498	26.2
81.07055	67.9
83.05009	2.8
83.08625	23.5
85.06524	4.8
85.10178	17.7
91.05471	14.7
93.07037	42.3
95.04981	7.8
95.08602	44.8
95.52036	2.5
97.06528	7.6
97.10164	8.2
99.08086	3.6
100.56670	2.6
103.92938	2.3
105.07034	4.8
107.08589	16.2
109.10165	16.5
111.08120	4.2
111.11733	2.4
117.07018	5.0
119.08588	2.6
121.10130	12.2
123.11670	11.1
131.08572	6.7
133.10152	6.2
135.08023	2.3
135.11720	5.4
142.89812	2.1
149.09579	3.1
149.13245	33.1
153.97319	2.2
159.11720	9.9
168.23526	2.3
177.12761	5.1
195.13789	9.9
239.21519	2.7
239.23637	13.2
293.56787	2.2
303.71646	2.5
358.69696	2.6
371.27228	2.4
463.92062	2.3
491.44992	2.5
507.40430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.98368	1.7
55.05515	28.8
57.03432	6.9
57.07065	6.3
59.04985	5.4
61.73816	1.7
67.05507	100.0
67.43903	2.0
69.03434	1.9
69.07065	19.5
70.32483	3.9
70.32853	6.3
71.04990	5.1
71.08627	4.1
76.02335	1.9
79.05489	28.2
81.03405	2.6
81.07059	66.6
83.04986	3.2
83.08617	17.5
85.06561	2.8
85.10169	2.7
90.98259	1.8
91.05482	23.0
93.07042	38.0
95.04961	4.0
95.08611	48.0
97.06539	3.6
97.10175	20.1
99.08115	2.0
105.07042	15.4
107.08587	25.9
109.06470	2.5
109.10158	61.5
111.08092	2.7
117.07011	5.8
119.08572	15.4
121.10160	15.4
123.11700	10.0
125.09646	12.2
129.07077	2.2
131.08542	11.8
133.10124	13.1
135.08098	2.7
135.11676	11.9
137.09634	2.5
137.13232	2.8
143.08536	4.3
145.10143	9.9
147.11685	9.9
149.13271	10.4
155.10626	2.3
158.85106	1.8
159.11703	9.9
161.13251	5.8
163.14836	3.5
166.31270	1.9
171.11681	2.4
173.11748	15.2
173.13301	6.5
175.14780	2.3
185.13202	4.0
187.14845	5.7
189.11165	10.6
209.11481	7.4
227.12729	9.8
229.14345	31.4
231.15651	2.2
243.20982	4.6
249.14636	5.0
259.20642	2.2
261.22162	25.4
279.23288	3.0
280.78436	2.3
317.24884	2.4
335.25793	18.1
379.29840	2.8
397.31049	7.3
415.32016	8.9
433.32986	5.7
471.34723	4.7
489.35858	25.7
507.27271	6.5
507.36938	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.98368	1.7
55.05515	28.8
57.03432	6.9
57.07065	6.3
59.04985	5.4
61.73816	1.7
67.05507	100.0
67.43903	2.0
69.03434	1.9
69.07065	19.5
70.32483	3.9
70.32853	6.3
71.04990	5.1
71.08627	4.1
76.02335	1.9
79.05489	28.2
81.03405	2.6
81.07059	66.6
83.04986	3.2
83.08617	17.5
85.06561	2.8
85.10169	2.7
90.98259	1.8
91.05482	23.0
93.07042	38.0
95.04961	4.0
95.08611	48.0
97.06539	3.6
97.10175	20.1
99.08115	2.0
105.07042	15.4
107.08587	25.9
109.06470	2.5
109.10158	61.5
111.08092	2.7
117.07011	5.8
119.08572	15.4
121.10160	15.4
123.11700	10.0
125.09646	12.2
129.07077	2.2
131.08542	11.8
133.10124	13.1
135.08098	2.7
135.11676	11.9
137.09634	2.5
137.13232	2.8
143.08536	4.3
145.10143	9.9
147.11685	9.9
149.13271	10.4
155.10626	2.3
158.85106	1.8
159.11703	9.9
161.13251	5.8
163.14836	3.5
166.31270	1.9
171.11681	2.4
173.11748	15.2
173.13301	6.5
175.14780	2.3
185.13202	4.0
187.14845	5.7
189.11165	10.6
209.11481	7.4
227.12729	9.8
229.14345	31.4
231.15651	2.2
243.20982	4.6
249.14636	5.0
259.20642	2.2
261.22162	25.4
279.23288	3.0
280.78436	2.3
317.24884	2.4
335.25793	18.1
379.29840	2.8
397.31049	7.3
415.32016	8.9
433.32986	5.7
471.34723	4.7
489.35858	25.7
507.27271	6.5
507.36938	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	507.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27187	1.0
52.42165	1.0
55.01888	0.9
55.05489	3.0
57.27687	1.1
62.32202	1.0
65.03952	1.1
67.05511	6.7
68.22308	0.9
69.03429	2.3
69.07075	1.3
70.06594	2.1
71.04972	1.2
71.59601	1.2
79.05489	3.6
81.03404	2.6
81.07066	7.2
83.04965	1.8
83.08591	1.5
85.02926	1.6
85.06552	1.6
85.43549	1.1
91.05463	4.8
91.05974	1.1
93.07034	4.4
95.04951	2.6
95.08600	7.3
97.02857	1.7
97.06503	1.8
105.07027	3.6
107.04959	1.7
107.08574	2.9
107.42615	1.0
109.02876	1.6
109.10159	7.1
110.22162	1.0
111.04485	1.2
119.08584	5.7
121.06490	1.5
121.10153	3.5
122.07312	2.7
123.11697	2.3
125.09678	1.0
133.10143	1.7
135.08096	1.4
135.11716	2.3
137.05974	3.6
137.09613	13.1
145.06502	1.1
145.10147	1.8
147.04381	1.4
147.11740	1.8
149.09610	2.6
151.07474	1.8
165.09114	100.0
166.09476	4.0
167.07013	1.1
175.07503	1.6
179.25613	1.0
181.04932	1.1
184.43967	1.4
189.12639	1.3
205.12268	3.4
471.30862	1.6
507.32138	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	507.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27187	1.0
52.42165	1.0
55.01888	0.9
55.05489	3.0
57.27687	1.1
62.32202	1.0
65.03952	1.1
67.05511	6.7
68.22308	0.9
69.03429	2.3
69.07075	1.3
70.06594	2.1
71.04972	1.2
71.59601	1.2
79.05489	3.6
81.03404	2.6
81.07066	7.2
83.04965	1.8
83.08591	1.5
85.02926	1.6
85.06552	1.6
85.43549	1.1
91.05463	4.8
91.05974	1.1
93.07034	4.4
95.04951	2.6
95.08600	7.3
97.02857	1.7
97.06503	1.8
105.07027	3.6
107.04959	1.7
107.08574	2.9
107.42615	1.0
109.02876	1.6
109.10159	7.1
110.22162	1.0
111.04485	1.2
119.08584	5.7
121.06490	1.5
121.10153	3.5
122.07312	2.7
123.11697	2.3
125.09678	1.0
133.10143	1.7
135.08096	1.4
135.11716	2.3
137.05974	3.6
137.09613	13.1
145.06502	1.1
145.10147	1.8
147.04381	1.4
147.11740	1.8
149.09610	2.6
151.07474	1.8
165.09114	100.0
166.09476	4.0
167.07013	1.1
175.07503	1.6
179.25613	1.0
181.04932	1.1
184.43967	1.4
189.12639	1.3
205.12268	3.4
471.30862	1.6
507.32138	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	507.3291
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
50.74979	0.7
57.07065	0.7
67.05494	1.9
69.07065	1.1
69.57052	5.9
70.59941	0.7
71.08631	0.7
81.07056	2.1
83.01103	1.6
83.08620	1.1
85.10161	0.8
93.07050	0.9
95.08624	1.5
97.10188	1.0
98.20760	1.5
109.10149	1.1
111.04212	1.6
112.05907	0.6
118.56951	0.7
127.03664	2.2
155.06822	2.9
155.10182	0.7
165.88242	0.7
171.06325	2.2
195.00275	1.1
201.43567	0.7
209.11520	1.3
243.12067	1.9
251.60626	0.7
297.19135	0.7
359.24570	0.7
381.18774	2.2
421.21854	3.5
446.38425	0.7
507.32938	100.0
508.33173	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	507.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.8
57.07059	3.0
59.16377	0.9
67.05517	7.9
69.07053	3.0
70.42469	2.4
70.42792	1.2
71.08615	2.3
79.05479	2.2
81.03452	1.0
81.07054	6.4
83.08630	2.8
89.78042	1.2
91.05482	1.8
93.07046	4.7
95.08628	5.0
96.01874	2.4
107.08637	1.4
109.10128	2.5
121.10175	1.1
153.01569	9.6
160.68681	1.3
180.11307	1.9
195.09871	1.5
209.11487	100.0
210.11734	1.2
220.14357	5.3
235.13086	2.8
237.14699	2.7
249.14632	57.9
249.96477	1.0
265.14111	2.5
302.85349	1.1
311.14743	1.6
461.28680	1.9
507.28677	5.9
507.39990	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	506.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11947	1.2
60.04504	2.6
69.03412	2.3
70.06625	1.5
71.58187	1.3
73.06570	1.6
81.03406	1.9
83.46839	1.2
85.02898	7.0
87.04460	4.2
89.06034	100.0
97.02899	3.1
107.04939	1.7
107.07071	5.2
110.05976	1.4
119.04980	1.4
122.06030	1.6
123.04430	2.1
127.03876	3.1
130.08623	1.9
131.07062	1.4
133.08611	63.6
134.06053	1.9
134.08855	1.5
136.07547	2.6
141.60307	1.3
145.02818	1.8
147.04391	1.6
163.04030	1.4
177.05435	4.1
177.11227	22.4
202.74312	1.1
208.09686	1.4
221.13852	3.7
239.14906	3.5
249.07710	1.5
269.12726	1.5
283.17490	3.9
295.76486	1.2
315.13394	2.6
327.20145	58.6
369.05856	1.7
453.39764	1.3
507.19254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33204	4.4
63.91035	4.4
68.54789	5.3
69.03439	32.3
69.52979	31.8
69.53391	10.6
79.05479	8.4
80.24311	5.0
85.02921	23.7
87.04458	10.5
89.76619	5.6
91.05479	9.3
93.07030	5.6
95.08640	4.5
97.02904	20.5
103.05462	8.6
105.07054	17.0
107.04967	13.9
112.11234	6.1
115.03978	16.2
119.08624	5.8
127.03865	5.3
131.04987	4.9
133.04984	17.5
133.06485	100.0
137.05998	14.3
150.07652	6.8
154.06282	27.5
163.07570	17.6
165.09164	6.7
166.09512	5.2
166.78043	5.3
195.10159	57.4
235.39053	6.4
242.69830	5.1
311.28903	5.2
506.21747	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	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01868	3.3
55.05503	2.9
57.03436	10.1
59.04987	1.2
60.04523	2.0
61.02940	2.4
62.82733	1.0
62.83112	1.1
64.92372	1.1
68.99782	1.6
69.03429	52.7
69.35812	1.2
69.91962	6.9
71.04983	1.9
73.02912	3.5
81.03417	15.7
83.04975	4.2
85.02902	58.0
87.00829	23.4
87.04465	15.8
91.05479	100.0
92.65807	1.1
95.05004	1.3
97.02888	49.4
97.03523	2.4
99.04445	9.5
101.02413	1.3
103.03913	1.9
105.01865	42.5
105.06370	1.1
105.07034	3.5
107.04887	1.3
108.91521	1.2
109.02875	18.5
111.04444	3.3
115.03934	25.6
115.04752	1.4
116.65583	1.0
125.02355	2.2
127.03915	47.5
127.42816	1.2
129.05522	2.7
129.06963	1.3
133.04962	16.5
133.06502	2.8
139.03906	4.2
145.04977	20.5
145.06407	2.4
147.02892	2.1
149.06020	2.2
150.07596	16.8
151.03896	1.9
157.06480	2.2
159.02864	6.6
171.08046	2.6
177.05486	3.0
189.03972	3.4
195.06567	2.2
199.07535	4.8
201.03906	2.5
205.04898	1.7
213.03943	3.9
213.10196	1.3
217.08611	4.0
223.06004	4.0
231.04985	17.1
241.07047	6.9
249.06064	5.8
284.48108	1.4
301.09225	1.4
303.08875	1.2
309.06091	1.2
321.09662	3.1
327.06952	8.4
334.55740	1.2
334.91357	1.5
339.10779	2.1
345.08261	11.2
363.09109	2.5
436.96844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
55.01865	2.8
55.05508	11.6
57.03439	2.8
57.07075	47.9
59.94163	1.3
65.03938	1.8
67.05502	36.2
69.03446	1.8
69.07069	14.9
69.39574	6.8
69.40004	6.3
71.04988	2.2
71.08627	35.2
78.59871	1.5
79.05486	15.6
81.03416	100.0
81.07060	36.9
83.04968	4.3
83.08146	2.1
83.08616	31.2
85.10185	20.7
91.05476	20.6
93.07051	9.2
95.04967	27.3
95.08606	35.5
97.02876	3.5
97.10155	8.6
99.11744	1.5
99.41573	1.5
105.07031	14.5
107.04959	6.6
107.08566	5.4
109.06506	1.8
109.10165	16.7
111.08056	9.4
111.11744	3.4
115.05418	2.0
117.07009	1.6
119.08567	13.6
121.06532	3.8
121.10150	6.5
121.92251	1.2
123.04420	2.8
123.08054	2.1
123.11689	6.4
129.07013	9.1
131.08553	12.7
133.06494	3.9
133.10161	5.1
137.09630	2.2
137.13237	3.6
142.07788	3.3
145.10052	1.9
147.08038	2.6
147.11646	8.2
149.09624	5.2
157.10118	9.8
165.12692	2.1
165.16414	1.4
175.11172	11.1
191.06828	1.2
193.12233	63.1
239.23619	9.8
249.14795	6.4
396.26538	1.4
505.38913	89.8
506.39551	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01872	1.8
55.05509	15.8
57.03424	1.1
57.07075	46.0
65.03940	1.5
67.05505	32.7
69.03419	2.4
69.07065	13.3
69.95608	3.2
69.96017	1.8
71.04987	1.8
71.08232	1.6
71.08627	31.3
79.05481	14.6
81.03416	100.0
81.07056	35.1
83.04980	5.2
83.08619	32.0
83.09118	1.6
85.10184	19.4
91.05474	22.6
93.07048	10.5
95.04968	24.6
95.08602	33.2
95.09166	1.9
97.02888	2.6
97.06534	1.3
97.10169	9.0
99.08080	1.0
100.80004	1.0
105.07029	15.4
106.36452	1.0
107.04294	1.0
107.04944	5.8
107.08600	4.2
109.06510	2.4
109.10153	16.9
111.04417	2.2
111.08101	7.5
111.11689	1.9
115.05515	1.3
115.53032	1.0
117.07018	2.1
119.04961	1.9
119.08566	12.5
119.09235	1.1
121.06480	1.9
121.10129	5.0
123.04420	1.7
123.11707	6.2
125.13261	1.3
128.72278	0.9
129.07010	10.5
131.08546	10.5
133.06519	2.9
133.10112	2.6
135.11688	1.2
137.09648	1.4
137.13307	2.6
142.07806	1.8
145.10126	1.2
147.08066	3.5
147.11697	5.5
149.09628	5.3
157.10138	10.2
165.12737	1.8
175.11201	9.0
193.12236	61.2
221.22644	1.6
223.13249	1.1
231.13832	1.4
239.23663	8.5
249.14874	6.9
323.74832	0.9
505.38882	82.8
506.39258	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.1
55.05499	26.4
57.03419	14.5
61.02925	11.6
63.53350	7.0
66.94517	6.9
67.05509	42.9
69.03432	23.4
69.07074	36.0
71.05015	9.7
71.58840	11.7
75.22063	6.7
79.05496	39.6
81.03423	12.9
81.07071	86.4
83.08612	17.1
85.02912	45.0
87.00841	12.1
91.05448	42.7
93.07044	100.0
95.04987	10.8
95.08607	91.8
97.02887	27.0
97.10154	10.5
105.01874	28.5
105.07040	98.8
107.08589	79.2
109.02888	11.5
109.10156	83.6
111.11710	7.1
119.08595	77.9
121.06518	9.1
121.10135	53.4
123.11728	19.5
125.09623	24.9
125.98542	6.7
127.03937	37.8
132.26897	7.1
133.10133	41.5
135.11697	26.7
137.05989	11.5
139.11266	7.9
145.04955	21.0
147.11707	69.8
149.09731	7.2
149.13226	8.7
159.11691	7.5
161.13324	21.8
163.14868	13.0
165.12727	14.0
167.05626	7.9
174.53096	7.6
175.14825	16.9
177.05516	9.1
177.16437	11.6
203.17944	76.7
221.18994	9.9
231.04970	20.7
284.09940	7.9
305.02625	8.6
504.33783	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	503.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
54.24998	1.4
55.05510	18.2
57.03429	2.2
57.07071	3.4
59.04991	1.4
65.03934	2.7
67.05503	67.0
69.07072	12.9
70.12724	4.4
70.13131	2.6
71.04991	8.2
79.05492	42.3
79.05954	2.1
81.07055	100.0
83.04984	2.0
83.08620	6.4
85.06537	10.7
86.88144	1.2
91.05472	21.8
93.07040	34.1
95.04961	5.3
95.08597	22.0
97.10172	3.7
98.21417	1.7
104.88294	1.3
105.07022	15.7
107.08592	15.5
109.06514	1.3
109.10144	11.1
112.63148	1.3
117.07000	5.2
119.08559	12.0
121.10127	16.6
123.11677	14.1
127.65867	1.3
131.08557	8.1
133.10130	16.1
135.11671	8.7
136.43884	1.3
141.06905	1.3
145.10107	7.6
147.11664	5.0
149.13255	4.0
151.11156	6.0
157.10178	1.3
159.11684	4.6
161.13246	3.7
169.12210	2.2
173.13287	4.2
175.14806	2.3
187.13266	9.8
227.16394	1.5
231.39961	1.2
261.22144	2.9
310.11880	1.2
317.24667	1.7
393.31454	2.2
411.32556	3.2
485.36102	2.4
503.38309	56.9
504.37869	2.5
516.67407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66608	0.9
53.03947	3.4
54.16135	0.9
55.01860	1.4
55.05262	1.4
55.05511	18.8
57.03442	2.1
57.07069	2.8
59.04994	4.1
65.03931	2.8
65.81929	0.9
67.05508	67.0
69.03423	1.5
69.07071	11.1
69.31507	10.5
71.04996	6.6
71.08623	1.2
78.18935	1.0
79.05497	34.9
81.03410	2.6
81.07059	100.0
82.03426	0.9
82.07405	1.3
83.04996	1.8
83.08616	8.6
85.06541	9.1
88.50722	0.9
89.06064	1.3
91.05479	24.5
91.06011	1.6
93.07045	35.2
95.04972	6.5
95.08614	26.2
95.39426	0.9
97.06531	2.3
97.10184	2.9
98.20765	1.6
105.07032	18.1
106.07362	1.3
107.08598	15.0
109.06530	2.3
109.10159	11.7
111.08089	1.4
117.07006	5.3
119.08591	12.1
121.10150	16.4
123.08058	1.9
123.11706	10.9
125.09620	1.1
129.07005	2.0
131.08566	8.8
133.06511	1.4
133.08635	1.2
133.10129	16.8
134.07336	1.0
135.08069	3.2
135.11690	10.2
137.13322	1.0
143.08595	2.2
145.10074	5.0
147.11678	5.9
149.13313	3.7
151.11163	6.3
157.10143	1.8
159.11737	3.9
161.13278	3.8
165.03726	0.9
169.12273	2.5
171.11687	1.5
173.13278	4.1
175.14832	1.6
185.13370	1.6
187.13336	8.9
187.14818	1.9
199.14873	1.1
247.92638	1.1
261.22223	3.2
278.16782	1.5
295.17368	4.1
296.17599	6.2
299.06384	1.4
317.24628	1.7
377.44077	1.1
393.31781	2.5
411.32712	2.6
429.33817	1.8
485.36328	2.5
503.37418	60.8
504.37753	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01877	2.0
55.05514	21.1
57.03432	2.5
57.07075	2.6
59.05010	11.5
59.05275	1.8
65.03942	3.9
67.05506	72.1
67.74174	1.6
69.03432	2.4
69.07065	13.4
69.07372	1.4
70.94095	1.3
71.04985	8.7
79.05495	39.0
81.03390	1.4
81.07057	100.0
82.07370	1.6
83.04979	2.0
83.08622	4.3
85.06525	8.9
89.06024	1.9
91.05466	24.2
93.07043	36.7
95.04997	4.3
95.08619	23.3
97.06548	1.8
97.10177	3.9
98.21459	3.4
105.07037	18.7
107.04960	2.5
107.08598	22.4
109.06547	3.5
109.10161	17.1
117.07043	6.3
117.09163	3.0
119.08579	17.4
121.06544	2.1
121.10152	17.3
123.11702	14.6
129.07005	3.1
131.08571	11.3
133.10146	19.7
135.08154	1.8
135.11722	9.7
135.82391	1.8
145.10120	11.3
147.11732	6.5
149.09781	1.6
149.13309	4.4
151.11230	5.6
153.12805	2.3
155.08615	2.1
159.11685	7.5
161.13339	4.7
169.12267	1.5
171.11758	1.8
173.13281	4.7
185.13310	2.9
187.13333	10.8
187.14824	2.7
242.25243	1.7
243.21049	2.0
259.20776	1.9
261.22186	3.7
275.20181	1.7
299.06409	2.3
313.55594	1.8
319.73642	1.6
393.31625	2.9
411.32715	3.6
429.33823	2.3
485.36371	3.7
503.37482	57.0
504.37878	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36899	1.5
53.03941	2.4
54.18386	1.8
55.01862	5.0
55.05508	18.4
57.03418	3.3
57.07057	2.2
59.04986	5.6
65.03928	4.3
67.05505	100.0
69.03421	3.9
69.07075	15.0
71.05000	2.9
71.59286	3.5
75.74611	1.7
76.19181	1.8
79.05489	29.5
81.03422	4.4
81.07059	40.1
83.04955	3.7
83.08617	12.4
85.45782	1.6
91.05459	33.0
93.07043	26.8
95.04974	7.3
95.08601	25.5
96.00042	1.7
97.06515	7.3
97.10151	4.9
97.44901	1.6
99.20644	1.8
105.07030	31.1
107.04917	5.6
107.08592	21.8
109.06499	7.3
109.10152	59.0
111.08053	3.8
117.07023	12.5
119.08585	23.0
121.06448	4.5
121.10159	9.6
123.04429	3.8
123.08046	2.9
123.11665	2.3
125.09633	7.1
129.06996	5.2
131.08580	21.7
133.10132	20.9
135.08051	3.6
135.11674	4.8
137.09616	3.5
137.60985	1.9
143.08533	6.1
145.10120	25.6
147.07964	2.3
147.11697	14.5
149.09584	7.1
149.13213	2.5
155.08524	3.7
157.10083	6.0
159.11703	13.2
161.09563	2.2
161.13252	4.9
163.11172	6.0
167.05565	1.7
168.09213	2.2
169.10043	2.7
171.08267	1.9
171.11642	2.8
173.09567	2.4
173.11716	14.8
173.13173	4.2
177.12773	3.7
179.14325	4.6
183.11589	3.3
185.13237	2.0
187.11205	2.6
189.11154	2.2
191.14272	2.4
197.13255	2.0
201.12717	1.9
207.13823	1.6
227.12810	2.1
229.14337	4.5
229.19437	2.9
239.17905	4.1
247.08466	1.9
257.19009	15.9
259.20587	3.5
275.20102	36.3
293.21063	2.9
299.06195	3.3
331.22742	3.4
349.24118	2.2
485.32431	7.2
503.33774	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	503.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21169	3.4
53.03946	3.7
55.01876	4.1
55.05515	19.6
57.03440	5.6
57.07072	6.3
59.68418	3.2
67.01865	6.1
67.05512	32.5
69.03431	23.3
69.07067	46.2
70.06593	4.8
70.86172	10.3
71.04996	6.9
72.02152	3.4
79.05514	19.3
81.03413	13.3
81.07056	97.5
82.75291	3.2
83.04955	3.7
83.08638	10.5
85.02901	15.4
85.06552	10.2
91.05485	14.8
91.66308	3.4
93.07049	49.5
95.04977	9.0
95.08606	73.2
97.02887	11.6
97.06517	8.6
97.10175	17.5
98.83346	3.7
99.08067	4.5
103.05437	5.3
105.07011	28.8
107.04960	43.9
107.08598	43.8
109.06516	6.1
109.10141	30.8
111.04454	4.3
111.08080	15.0
111.11699	6.2
116.44465	3.1
119.08591	13.7
121.06567	6.1
121.10153	27.6
123.04439	4.4
123.11694	54.5
123.65717	3.6
127.03909	12.4
131.04927	9.6
131.08578	5.0
133.10150	9.9
135.04520	7.7
135.11674	15.5
137.05942	22.8
137.09653	3.9
137.13260	12.5
139.11177	13.7
140.47653	3.3
141.12785	6.1
145.10129	8.7
147.04367	4.7
147.11661	10.5
149.09534	4.1
149.13249	33.7
153.12715	5.1
157.12210	7.8
159.11676	8.8
161.06000	8.4
161.13257	7.2
163.11226	4.7
163.14925	6.1
165.05484	45.3
165.12790	6.1
167.05569	7.4
167.06985	5.4
169.12183	5.5
171.11603	4.9
175.07581	12.7
177.05547	3.6
187.07582	4.7
187.13312	16.0
189.09137	9.9
189.16441	5.2
199.07513	3.8
213.05403	4.2
217.08650	6.0
221.11710	47.9
255.10196	5.8
267.00012	4.3
285.10657	4.2
287.23703	5.2
293.24802	5.8
299.06305	5.8
300.47916	3.4
305.24680	36.6
311.13025	4.2
323.12708	14.4
323.25815	13.0
331.17465	5.4
341.13693	8.4
434.80850	4.1
449.28647	6.0
503.24561	100.0
504.24820	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	503.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01871	1.2
55.05497	1.6
57.03426	0.6
58.09196	0.5
61.02909	0.7
67.05498	1.9
67.39776	0.5
69.03428	1.3
69.07064	1.7
71.07695	0.5
71.59041	1.1
71.59438	0.8
74.50626	0.5
76.02220	1.1
79.05481	1.5
81.03413	1.2
81.07059	3.9
83.04962	0.9
83.08607	0.5
85.02900	0.9
91.05833	1.1
93.07036	2.3
95.04979	1.3
95.08620	2.3
96.04502	0.6
97.02917	0.9
97.06500	0.8
97.10149	0.7
105.07040	1.6
107.04951	1.3
107.08590	1.6
109.02879	0.8
109.06506	0.7
109.10175	1.9
111.08118	1.0
116.01693	0.8
117.06985	0.6
119.08582	1.2
121.06479	0.6
121.10135	1.4
123.04446	3.3
123.08081	0.6
123.11685	1.6
127.03940	0.9
133.06502	1.0
133.10136	1.1
135.11668	0.6
137.05983	3.3
139.11211	0.9
140.32516	0.5
145.10097	1.0
147.04495	0.9
147.11691	0.7
149.02289	0.6
149.13246	0.9
161.06030	0.9
165.09135	0.8
167.03365	0.9
167.05551	1.0
171.07890	0.5
175.07584	1.6
201.32645	0.5
203.07083	2.3
205.08728	0.9
219.10164	1.1
231.10155	1.4
259.07770	0.7
267.60135	0.5
268.13641	0.7
274.69678	0.6
285.07947	0.6
299.06122	1.1
323.12845	2.0
341.10318	0.5
341.13821	2.4
341.19455	0.9
352.58105	0.6
459.21970	1.2
467.21890	0.9
471.21921	1.6
503.24643	100.0
504.25085	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	503.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
59.04356	0.7
64.49118	0.7
66.31229	0.7
67.05511	1.7
69.03436	2.7
69.07066	1.8
69.63095	5.7
79.05488	2.1
81.03440	2.2
81.07066	3.9
83.04954	1.0
85.02902	2.0
88.44002	0.8
91.05439	1.5
93.07059	2.4
95.04996	1.1
95.08614	3.1
97.02900	0.7
99.58075	0.7
100.11274	0.8
105.07050	2.5
107.08604	1.7
109.02862	1.4
109.10172	1.9
114.07215	0.7
115.66718	0.7
119.08620	2.2
121.10153	1.4
123.04429	4.5
123.11751	1.3
125.09653	0.7
127.03883	0.9
131.04892	1.2
131.08601	1.0
133.10129	1.1
137.05968	4.5
139.11115	1.0
145.10220	1.3
147.04454	1.0
159.08049	0.9
159.11572	0.8
161.06052	1.5
167.05565	2.0
175.07591	2.2
177.05547	0.7
182.15421	0.7
219.10205	1.5
231.10217	1.8
299.06253	2.2
323.12726	2.0
341.13834	2.0
341.19632	1.7
401.20493	0.8
459.21817	1.7
471.22437	1.3
503.24695	100.0
504.25104	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	503.2464
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
55.01878	0.7
55.05518	0.6
59.04977	0.4
61.58346	0.3
62.88882	0.3
67.05508	1.3
67.38980	0.3
69.03434	1.2
69.07055	0.9
70.19344	1.0
70.19751	0.7
79.05495	0.9
81.03413	0.8
81.07073	2.1
83.08624	0.5
85.02921	1.0
85.06554	0.4
91.05429	0.6
91.62943	0.4
93.07049	1.2
94.95325	0.3
95.04974	0.5
95.08617	1.3
97.02895	1.0
100.11237	0.5
105.07050	1.1
107.04973	0.9
107.08617	0.9
109.02882	0.5
109.10175	1.0
110.32575	0.3
114.41983	0.3
119.08607	1.0
119.50079	0.4
121.10162	0.7
123.04427	6.1
123.11752	0.5
125.09667	0.3
127.03916	0.8
133.06512	0.7
133.10135	0.6
135.11688	0.5
137.05974	1.7
145.10136	0.5
147.04437	0.6
147.08142	0.4
147.11778	0.6
161.05962	0.8
161.13261	0.4
165.05537	0.9
165.09178	0.7
167.05627	0.6
174.56096	0.4
175.07623	0.6
177.05513	0.4
187.11223	0.4
203.05336	0.7
203.07062	1.1
204.07352	0.6
219.10208	2.8
219.17590	0.4
231.10170	3.0
255.06555	0.6
259.07849	0.6
285.07797	0.5
299.06134	0.8
321.07983	0.5
323.12885	1.6
330.71240	0.4
341.13867	2.1
341.19266	0.9
363.09174	0.4
399.16434	0.6
459.21985	1.2
471.22067	1.5
503.24704	100.0
504.24979	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
55.01867	0.8
55.05503	0.5
57.03448	0.5
65.03923	0.6
67.05479	0.6
69.03412	0.6
79.05480	1.1
81.03407	0.8
81.07059	2.2
85.02904	2.8
88.75341	0.4
91.05433	2.2
93.07017	0.9
95.01302	0.9
95.04965	0.4
95.08595	1.0
96.35230	0.5
97.02889	1.1
103.93614	0.4
105.07010	1.5
107.04938	0.6
107.08598	0.7
109.06516	1.6
115.05446	0.5
117.06936	0.5
119.04926	3.1
119.08593	2.4
123.00843	0.6
127.03925	0.8
128.06145	0.5
129.06995	1.8
131.01282	0.5
131.08534	1.0
133.02876	1.0
133.06461	1.2
135.04431	1.1
137.06026	1.0
144.05670	0.8
145.06505	0.5
147.04419	6.4
147.08046	4.9
149.02327	2.9
151.03912	2.2
157.06454	1.1
159.04317	0.5
159.08040	0.8
160.05156	0.9
161.02345	11.2
161.05988	5.5
163.03876	2.1
167.03406	7.8
167.05542	0.6
175.03938	1.7
175.07530	3.6
185.05975	6.1
188.04720	0.6
193.77126	0.5
203.07031	100.0
204.07373	1.6
212.54318	0.6
221.08125	1.2
229.61076	0.5
255.06688	0.5
323.12775	73.9
324.13080	1.9
341.13715	2.1
341.17630	0.5
372.96515	0.6
397.66910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69493	1.0
61.02916	1.3
67.05490	1.0
69.03436	6.1
70.06636	5.2
71.93776	1.0
73.09525	1.0
79.05506	2.4
79.48592	1.1
81.03406	3.5
81.07059	2.2
85.02902	12.6
86.09689	1.4
87.01294	1.1
91.05486	3.9
93.07034	1.6
94.04172	3.3
95.04984	1.5
97.02903	3.7
97.06470	1.5
98.21400	1.5
99.04450	1.8
103.05457	3.8
105.07031	6.0
107.04935	3.5
107.08595	1.2
109.02887	2.5
109.06493	3.4
115.03952	1.2
115.05447	4.1
119.08635	2.6
121.06474	1.2
121.10181	1.0
122.03642	7.1
127.03925	3.0
128.06181	2.0
129.06987	1.9
131.04935	3.6
132.05745	2.3
133.06476	2.5
133.10132	1.5
137.05978	100.0
138.06273	1.3
147.04387	1.6
147.08043	4.6
149.05960	2.2
151.03947	1.6
157.27916	1.2
159.08118	1.3
160.05246	1.3
161.05989	16.4
163.07545	3.7
167.05574	2.1
171.08098	1.1
175.07550	37.1
184.05238	1.5
187.07477	6.3
188.90376	1.1
191.08571	5.0
192.09251	1.1
193.04933	6.2
199.07576	11.4
202.07880	2.4
203.08540	6.7
218.07298	1.9
219.08060	8.1
220.08791	2.2
231.08075	8.0
232.08966	1.5
235.07611	1.6
235.11145	1.6
237.09082	1.2
247.07506	4.5
248.08286	5.2
251.10648	9.5
255.06602	1.4
259.07553	5.9
260.08304	1.6
263.10736	5.3
276.07883	3.3
277.08572	3.9
279.10187	7.8
291.10156	9.4
292.10864	4.0
293.08139	1.8
295.13147	2.3
299.06036	1.9
311.12778	19.6
323.12762	18.4
459.18140	3.1
485.19766	6.0
503.17865	4.2
503.20847	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	503.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.0
58.99575	1.5
67.05510	0.9
69.03429	3.1
70.06591	2.0
70.88212	1.7
72.75821	0.6
74.16962	0.5
76.02226	4.7
76.04012	3.0
79.05494	1.7
82.06580	1.8
84.04501	7.2
85.02872	0.8
86.06052	1.7
86.09702	1.4
87.04450	1.9
91.05811	0.9
93.07050	0.7
94.06570	2.6
97.01134	0.8
97.02887	1.3
98.06047	0.6
99.05589	0.7
105.07053	1.3
107.08602	1.4
110.06025	7.9
112.04011	0.7
116.01658	1.3
120.08132	1.0
122.06027	27.0
122.09658	3.1
126.03689	0.9
126.09193	0.7
130.05011	2.9
132.08121	0.8
133.08894	1.6
134.09633	0.7
135.06744	1.0
140.05312	3.2
142.03229	2.0
144.01125	0.9
145.06047	0.7
147.04349	0.6
148.07509	0.7
149.07379	0.9
150.09138	89.9
151.09468	1.9
152.10747	1.0
160.07503	0.7
162.02222	2.5
163.03888	0.7
167.05533	1.6
168.04773	2.4
170.02681	0.8
177.03308	3.6
178.08633	100.0
179.04846	5.2
179.08986	1.7
182.06351	2.1
185.03769	4.6
186.02217	1.5
187.02565	1.2
196.09694	38.6
210.05879	3.6
228.06902	1.5
231.04359	10.6
233.05927	1.5
240.26311	0.8
243.07910	2.0
288.06503	1.0
298.83401	0.7
299.06100	1.2
306.07748	0.7
308.09079	6.9
337.12207	1.2
374.13785	10.6
497.64133	0.7
503.18884	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	502.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40052	2.9
53.03937	4.6
55.05503	8.1
56.96558	6.6
57.06865	2.4
57.07079	26.2
62.15440	2.6
67.05503	13.6
69.07053	4.9
69.35551	2.7
71.08630	49.6
71.59515	3.6
71.59882	4.2
79.01531	2.6
79.05481	9.2
81.07059	14.3
83.04966	4.6
83.08646	5.0
85.10175	33.7
87.04456	12.7
89.06033	100.0
90.54116	2.9
91.05458	21.8
93.07053	20.4
95.04967	9.2
95.08609	4.2
97.02891	3.7
97.10167	3.7
103.05493	5.1
105.07005	6.2
107.04984	3.9
107.07063	4.6
107.08593	8.7
109.10174	8.2
117.07023	4.0
119.04972	4.1
119.08562	10.0
121.06497	59.3
124.54064	3.5
125.09618	3.9
127.09587	2.5
131.08549	5.0
133.08598	59.4
133.10161	3.8
135.08066	6.4
147.08044	8.9
149.09641	5.8
149.13199	4.1
162.99147	5.8
163.11197	4.7
165.09099	28.2
177.11240	23.0
191.10628	3.4
209.11780	13.9
247.20554	19.6
271.15424	6.4
275.11768	5.7
291.23196	35.2
359.20639	46.2
485.34702	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41382	2.6
52.60050	2.7
53.03942	6.2
55.01868	8.6
55.05513	58.5
57.03411	4.7
59.05009	7.5
66.78224	2.9
67.05506	100.0
69.03419	6.2
69.07069	19.7
71.04986	4.6
73.02908	5.0
79.05495	34.4
81.03429	17.4
81.07056	62.1
83.04975	11.9
83.08614	32.9
85.02914	21.0
85.06540	6.6
87.04465	7.7
91.05470	25.3
93.07040	37.9
95.04980	4.6
95.08602	20.4
97.02892	3.0
97.06534	10.8
97.10168	44.6
103.61680	3.3
105.07024	14.6
107.08590	22.6
107.35838	2.8
109.06509	3.6
109.10152	66.7
110.10500	2.8
111.08066	6.2
117.07035	7.7
119.08586	13.0
121.06515	5.8
121.10165	6.9
123.08102	4.5
123.11699	2.8
125.09629	47.1
129.06924	4.3
131.08560	10.9
133.10149	16.3
134.40045	2.7
135.08055	4.5
135.11708	15.2
137.09674	6.4
143.10689	4.9
145.10118	8.1
147.11629	4.1
149.13217	15.7
153.12749	6.7
155.10666	7.5
157.12268	3.7
159.11705	9.5
163.11183	17.7
172.87308	3.0
173.11734	53.6
177.12663	7.1
187.13278	20.1
191.10704	5.4
193.12260	8.7
195.13779	29.9
209.11736	10.0
213.14934	4.0
227.16425	3.4
344.37943	3.5
512.08521	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	502.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
53.52695	2.5
55.01868	8.0
55.05513	80.0
57.03435	6.2
57.07077	2.7
59.05000	6.5
62.81089	2.1
65.03944	3.5
67.05506	100.0
69.03436	4.2
69.07072	16.9
69.30769	22.8
71.04994	5.0
73.02894	5.9
77.08678	2.4
77.39803	2.4
79.05500	33.6
81.03418	19.0
81.07061	52.1
83.04983	13.8
83.08624	36.4
83.98251	2.5
85.02896	22.5
85.06543	5.8
87.04473	9.6
91.05493	26.8
93.07042	28.4
95.04955	11.3
95.08625	19.2
97.02895	5.6
97.06522	8.4
97.10171	53.2
98.21521	5.4
103.03922	3.7
105.07024	9.7
106.36636	2.4
107.04961	5.2
107.08590	24.1
109.06493	2.7
109.10162	62.7
111.08023	6.1
117.07025	5.9
119.08567	10.1
120.61221	2.5
121.10145	8.6
123.08064	5.3
125.09637	62.7
129.07060	3.2
131.08588	8.0
131.47662	2.6
133.10106	12.9
135.08054	4.6
135.11671	12.7
137.09625	5.0
143.10661	8.6
145.10143	6.8
147.08038	3.4
147.11720	3.1
149.09511	3.1
149.13266	17.2
153.12743	6.2
155.10718	8.4
157.12251	4.7
159.11627	11.1
163.11221	14.8
173.09657	4.3
173.10107	4.6
173.11743	51.9
175.11185	3.1
177.12747	7.3
181.12378	3.6
187.13306	5.5
191.10669	5.8
193.12297	4.4
195.13799	34.0
199.13298	4.7
209.11766	15.6
213.14894	6.0
227.12823	3.9
262.29742	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	502.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	11.1
55.05513	70.1
56.96560	16.5
65.03938	10.2
67.05503	100.0
69.07056	29.0
71.04684	27.5
71.08627	16.2
72.64874	9.7
79.05487	61.4
81.03412	49.8
81.07056	94.0
83.04975	27.9
83.08605	34.5
85.02898	23.2
87.70826	9.2
89.06067	14.3
89.30593	10.9
91.05489	43.7
91.59911	9.8
92.45879	10.2
93.07039	69.6
95.04964	30.0
95.08598	39.8
97.02898	13.2
97.06538	17.0
97.10165	54.1
99.35742	12.0
105.07030	22.7
107.04923	24.6
107.08599	52.9
109.06503	18.6
109.10143	36.4
111.04444	10.4
117.07036	18.9
119.08578	25.3
121.06461	13.7
121.10150	16.6
123.08103	21.3
125.09609	38.2
131.08571	41.2
133.10135	15.3
135.08049	16.5
135.11688	36.2
145.10123	36.7
147.08026	20.3
149.09602	10.9
149.13260	23.4
153.12686	13.5
157.10159	16.2
159.11723	18.3
163.11172	32.6
173.09622	31.3
188.48119	14.8
191.10683	36.0
195.13780	44.5
201.18826	10.2
203.12781	35.4
209.11716	58.8
223.13243	68.3
227.12865	34.8
227.16396	36.3
233.15617	15.3
241.14352	21.9
275.11526	17.7
293.12482	11.4
345.37738	13.4
417.26178	26.7
449.29117	65.2
459.05927	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	502.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01865	1.1
55.05507	0.9
57.03437	4.1
58.11233	0.4
59.05003	0.6
61.02912	1.6
69.03433	14.1
69.03813	0.7
70.06577	1.0
70.65308	0.7
70.65640	0.7
71.04993	0.5
73.02907	1.0
75.04465	0.7
77.82269	0.4
81.03406	1.5
83.04976	0.8
83.10584	0.4
84.08137	0.4
85.02905	11.8
86.09740	0.6
87.04468	7.3
91.03941	0.6
91.19560	0.4
97.02893	9.3
99.04447	1.1
103.03947	0.7
109.02886	1.1
115.03929	7.6
120.08164	0.5
123.04433	1.6
127.03918	1.8
133.04964	5.4
145.05002	0.7
147.04497	0.5
148.05049	2.5
150.85765	0.4
165.05441	0.7
169.03461	0.4
169.04987	0.5
175.03865	0.5
176.04555	71.3
177.04942	1.0
178.04990	2.3
180.10321	0.4
186.02203	0.6
206.04498	2.5
208.07179	100.0
209.07481	0.8
370.12476	12.9
502.16669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51061	1.1
69.88434	6.7
91.80400	1.2
94.06565	28.6
94.83020	1.4
96.88979	1.4
116.04736	65.2
121.16921	1.3
160.03685	100.0
189.82872	1.5
196.04572	5.0
201.82629	1.3
220.04539	46.7
232.04517	3.8
238.05524	6.4
365.10492	2.4
502.14746	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.05516	31.8
55.53216	2.8
57.03437	21.5
57.07083	18.8
61.02928	60.0
67.05170	3.8
67.05506	39.6
69.03430	28.9
69.07069	45.9
71.01338	5.8
71.05002	6.3
71.08627	12.2
71.59361	3.9
73.02913	23.4
79.05499	18.6
81.03417	21.9
81.07059	44.2
83.08623	34.3
85.02904	58.7
85.10168	3.7
87.04498	6.5
91.03957	37.6
91.05482	7.0
93.07047	20.0
95.04994	5.4
95.08604	39.1
97.02895	53.0
97.06550	6.1
97.10169	19.8
99.04462	9.3
101.02378	10.5
103.03942	4.9
105.07037	7.1
107.08570	17.3
108.54133	2.9
109.02875	12.2
109.10176	22.5
111.08081	3.1
111.11743	6.8
111.16474	2.7
117.05503	4.5
119.08603	7.2
121.10149	25.2
123.11747	9.4
125.09698	4.0
127.03926	23.0
129.05527	4.6
135.11664	19.7
139.11201	4.8
145.04991	11.4
145.10118	4.4
149.13257	6.8
151.14835	4.9
163.14838	3.9
183.06532	4.9
201.07599	4.0
211.04526	3.9
217.05821	3.6
247.24283	9.8
265.25247	32.1
283.49500	3.4
297.59705	3.0
339.18396	9.6
339.28958	100.0
339.68274	3.9
367.28543	3.6
483.32825	3.3
501.34134	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	501.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	33.0
56.96553	7.6
57.03420	23.3
57.07080	9.8
61.02927	74.1
67.05512	37.1
69.03416	27.9
69.07063	47.9
70.27429	15.1
70.27821	14.0
71.01347	7.7
71.04988	10.4
71.08613	16.0
71.33058	5.7
73.02896	25.9
79.05481	19.4
81.03399	19.5
81.07053	48.8
83.08626	37.4
85.02904	61.7
87.04443	6.9
88.51890	6.6
91.03970	39.3
91.05446	13.5
92.23347	5.5
93.07040	21.9
95.08599	39.1
97.02901	47.3
97.10157	30.3
97.83362	6.2
99.04464	9.5
101.02387	16.9
103.03921	8.3
104.52956	5.6
107.08586	27.8
109.02874	14.4
109.10156	10.5
111.08064	8.3
111.11726	8.2
115.03925	9.0
121.10098	21.3
127.03911	30.9
127.77367	7.0
135.11673	15.4
142.39548	5.6
149.13231	12.3
162.99231	9.8
265.25214	25.4
275.11560	9.2
294.26663	6.6
295.17184	11.0
339.28918	100.0
501.35303	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72179	0.6
55.05498	1.0
55.93019	0.7
67.05502	1.5
69.07058	1.0
70.03303	2.7
75.94246	0.7
81.07067	1.0
87.38643	0.6
95.04962	0.8
95.08615	0.8
105.07008	0.9
109.10137	0.9
119.08575	0.9
131.08585	0.8
145.10109	0.9
157.10118	0.9
158.13539	0.7
159.11627	0.8
163.43292	0.6
183.11748	1.2
196.63570	0.6
204.29057	0.6
351.18378	1.2
380.38300	0.7
382.75220	0.6
443.64264	0.6
445.25494	1.9
470.41028	0.6
501.28198	100.0
502.28748	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	500.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03930	0.2
55.01863	0.3
57.03426	1.0
59.04999	14.8
61.02925	0.6
62.46485	0.3
65.03912	0.3
69.03426	3.3
69.07051	0.2
70.31324	0.9
71.04977	0.3
71.71081	0.2
73.02919	0.4
75.98547	0.2
78.03450	1.5
81.03416	0.9
85.02901	6.4
87.04456	0.5
88.50636	0.2
91.03960	0.3
91.05492	0.5
95.04952	0.4
96.04488	100.0
97.02877	1.6
97.04829	0.6
99.04463	0.7
99.08088	0.3
101.02377	0.3
105.07011	0.4
107.04949	0.5
109.02879	1.5
115.05460	0.4
115.07546	0.5
117.03416	0.2
117.07007	1.2
117.09128	4.9
119.04911	0.3
121.06564	0.3
127.03915	1.7
128.06242	0.4
131.04944	0.3
133.06470	0.3
135.08073	0.7
135.10078	0.2
136.07570	1.6
137.07056	0.2
145.04961	0.8
145.06531	1.4
149.05989	0.8
157.06516	0.7
173.05962	2.6
175.13274	1.6
201.05449	4.2
233.17465	0.5
243.10178	1.0
250.96805	0.3
272.98322	0.2
319.27701	0.3
338.14020	0.3
500.19156	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	500.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03941	0.5
55.01880	0.4
56.83013	0.2
57.03438	1.1
59.04992	0.4
61.02923	1.5
65.03955	0.2
69.03427	5.2
69.04305	0.2
69.40731	1.0
69.41154	0.6
71.01342	0.2
71.04998	0.4
73.02907	0.7
73.71071	0.2
78.03450	1.6
81.03413	2.5
83.01373	0.2
85.02902	10.9
87.04453	0.6
91.03967	0.5
91.05476	0.3
93.07022	0.2
95.04977	0.3
96.04488	100.0
97.02885	3.6
97.04824	0.9
99.04436	0.8
103.03949	0.2
105.07030	0.4
107.04950	1.2
108.89172	0.2
109.02875	3.2
112.03951	0.7
117.07014	0.7
119.04927	1.2
121.02868	0.2
122.12604	0.2
127.03923	2.4
129.06927	0.2
131.04910	0.2
133.06531	0.3
134.07274	1.6
135.08043	1.7
135.41106	0.2
136.07582	1.5
145.04979	1.2
145.06500	0.8
149.05994	0.5
154.71684	0.2
173.06009	0.4
184.04996	0.2
201.05461	3.5
227.10718	0.2
243.10150	4.3
255.76381	0.2
279.52628	0.2
338.13855	19.4
339.14255	0.4
500.19266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.2
51.02369	0.6
53.03951	0.4
55.01860	0.6
55.02110	0.2
57.03439	1.2
59.39957	0.2
59.43341	0.2
61.02921	1.2
63.20990	0.2
63.89073	0.2
65.03932	0.5
67.05478	0.5
69.03426	5.0
69.84607	0.5
69.84998	0.4
71.01334	0.2
71.04993	0.3
72.75878	0.2
73.02934	1.1
73.15296	0.2
78.03442	2.0
79.05488	0.3
81.03416	2.1
83.04984	0.3
85.02905	11.7
87.04462	1.1
89.08659	0.2
91.03963	0.5
91.05476	0.6
95.04969	0.5
96.04488	100.0
97.02892	2.7
97.04269	0.2
97.04794	1.1
99.04453	0.9
101.02368	0.4
103.03935	0.9
103.05480	0.4
104.93533	0.2
105.07012	0.7
107.04949	1.7
108.04488	0.2
108.08138	0.3
109.02880	4.6
111.04451	0.4
115.03908	0.3
115.05415	0.4
117.07010	2.8
119.04910	0.5
121.06497	0.2
127.03920	3.1
128.06216	1.0
129.07018	0.3
131.00186	0.2
131.04936	0.6
133.06511	0.5
134.07280	0.7
135.08052	1.1
136.07571	19.5
137.07907	0.3
145.04929	1.1
145.06502	1.9
149.05968	1.0
155.04987	0.2
157.06444	1.3
173.05977	5.7
186.06680	0.2
201.05455	6.7
202.05888	0.3
226.09862	0.2
243.10208	1.9
313.19662	0.2
338.13855	1.6
363.10938	0.2
394.45993	0.2
405.15356	0.8
500.19135	9.3
501.19467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01864	1.8
55.05508	3.2
61.04049	73.2
67.05507	2.0
67.46594	0.7
69.03426	4.9
69.07048	1.8
69.50008	6.0
69.50418	1.1
71.04967	0.8
72.08158	12.6
73.06561	3.5
79.05476	1.5
81.03431	4.1
81.07066	4.4
83.04984	0.8
85.02906	4.6
87.00829	2.2
90.09196	8.2
91.05473	2.1
92.05022	1.6
93.07066	1.8
94.06567	36.1
95.04961	1.2
95.08623	1.5
96.04485	1.7
97.02874	4.5
97.06574	1.1
98.20812	1.4
99.04461	1.7
102.65909	0.9
105.01863	1.1
105.07042	1.9
107.08601	1.5
109.02890	2.4
111.08060	1.0
115.08698	3.0
117.07741	0.9
119.08569	1.1
120.04459	6.4
121.10152	1.0
125.98229	0.8
127.03944	4.5
136.07571	2.2
137.07097	41.9
145.04974	1.7
159.07623	1.4
163.03862	1.0
163.05081	3.9
168.06599	1.4
175.07651	1.3
177.12685	1.3
180.07681	95.1
181.08046	1.1
203.06985	4.3
207.06613	1.9
235.16904	0.9
252.13434	100.0
253.13731	3.3
271.05994	0.9
271.18115	1.2
337.10654	1.2
338.10846	1.6
338.14377	1.8
339.12421	1.3
500.28674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.2
55.01865	6.2
55.05511	28.5
57.03436	47.1
57.07063	5.4
61.02930	19.3
67.05505	96.4
68.05836	2.1
69.03429	48.8
69.07069	36.9
69.51250	18.1
69.74213	2.0
71.01361	5.3
71.04994	17.0
71.08627	5.6
73.02933	14.2
75.04469	3.9
77.80967	2.0
79.05058	3.5
79.05492	33.1
81.02930	2.6
81.03417	79.1
81.07056	100.0
83.04973	9.9
83.08617	22.2
85.02907	46.6
85.06561	4.5
87.04462	2.5
91.03953	15.4
91.05473	22.1
93.07038	37.0
95.04978	4.1
95.08604	77.0
97.02895	44.5
97.06518	6.4
97.10177	16.3
98.21480	3.5
99.04457	29.5
101.02393	3.9
103.03945	46.7
103.04628	2.3
105.07029	19.5
107.05007	2.3
107.08599	20.2
109.02872	43.3
109.06506	4.3
109.10158	27.9
111.04432	6.0
111.08094	3.5
111.11720	4.1
115.03938	6.6
117.05477	6.9
117.07020	2.3
119.08572	14.2
121.10142	20.0
123.08098	2.2
123.11703	13.1
124.13528	2.2
125.09640	4.0
127.03915	49.3
129.05492	6.0
131.08592	5.4
133.10127	14.9
135.11696	12.9
137.09564	2.4
137.13249	6.9
141.12724	3.4
145.04993	6.3
145.10130	3.8
147.11723	10.6
149.13293	9.9
151.11182	2.3
151.14874	3.8
155.06990	2.4
157.10040	2.7
159.06465	2.6
161.13266	10.9
163.14833	6.4
167.14427	2.4
171.06514	2.8
173.13338	3.3
175.14821	7.9
183.06528	18.7
185.13271	2.8
189.16461	2.3
201.07565	9.6
201.60852	2.2
234.74222	2.5
245.22620	13.5
263.23724	16.2
303.23297	3.1
329.25156	3.1
337.27353	50.5
339.28796	2.7
353.24551	4.0
371.25644	3.1
389.27060	3.5
407.27734	15.4
431.63611	2.5
439.35519	2.7
481.31461	4.8
499.32883	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	499.2684
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
55.05510	1.4
57.03428	1.3
61.02915	1.4
67.05498	3.1
69.03417	1.0
69.07082	1.1
71.58925	1.4
79.05482	1.9
81.07045	2.4
85.02885	1.8
91.05481	1.9
93.07050	1.8
95.04952	0.9
95.08600	2.9
97.02915	1.5
103.40181	0.8
105.07037	1.4
107.08612	1.7
108.08906	0.8
109.10153	2.1
119.08622	0.8
131.08577	0.9
135.11650	1.2
144.45558	0.9
154.04613	0.9
193.83861	0.8
197.54605	0.8
204.67715	1.0
239.83868	1.0
300.85483	0.9
355.75909	1.1
443.23935	2.2
449.93826	0.9
499.26630	100.0
500.27042	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	499.2152
Annotation	Conivaptan
Peak:m/z	Relative Intensity
55.05503	1.0
56.72548	0.6
58.12376	0.7
67.05510	1.5
69.03442	0.7
69.07069	1.4
70.72002	0.8
70.72352	2.5
78.53336	0.7
79.05510	1.1
79.16337	0.7
81.07050	2.3
82.07355	0.7
85.02914	0.9
86.09682	0.9
88.95899	0.7
93.07048	1.6
95.04982	1.1
95.08595	2.1
105.07038	1.2
107.08588	1.5
109.10168	2.3
110.28525	0.7
111.08055	0.8
117.09102	1.0
119.01906	1.0
121.10144	1.3
127.00071	0.7
133.10159	1.2
135.08022	0.8
135.11728	1.2
138.96181	0.8
139.48352	1.0
149.13365	0.7
157.10033	0.7
163.03943	1.9
168.22281	0.7
169.08688	0.7
177.05623	1.0
178.27284	0.8
191.86220	0.8
227.05318	1.1
233.15221	1.0
239.98386	0.8
245.06305	5.1
251.16386	1.9
271.04343	3.4
285.59476	0.8
289.05298	23.5
398.80646	0.8
413.21375	1.7
437.21298	1.1
455.22632	14.9
481.20334	4.9
499.21518	100.0
500.21774	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	499.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.2
64.07285	1.2
67.05505	1.6
68.82674	1.2
69.03432	5.6
69.07057	7.2
70.06595	2.6
71.58717	1.9
75.34817	1.2
79.05506	1.8
81.03431	4.2
81.07040	1.5
85.02904	7.9
87.04436	1.3
94.06565	8.1
95.04982	2.1
95.30931	1.3
96.04528	1.4
97.02903	5.7
98.97559	1.3
109.02943	1.5
110.06029	2.4
112.03984	1.3
112.07579	1.9
119.04871	1.4
120.08154	1.7
122.06035	36.6
123.04440	3.2
123.06803	2.7
124.07588	3.9
128.07089	2.1
130.06555	1.6
135.04448	1.9
137.06004	3.0
138.05502	1.4
138.09167	3.8
140.07066	54.6
147.04387	1.1
150.05516	2.4
151.06273	6.7
152.07063	30.0
157.07593	3.2
158.05960	1.9
160.09758	1.3
162.09160	2.9
163.03912	3.4
175.08725	1.6
178.05037	3.0
179.05769	5.0
180.06567	1.9
180.10228	2.3
188.07101	1.6
228.10164	4.8
237.78784	1.3
245.12866	1.6
246.11278	27.1
247.52715	1.4
259.14404	1.2
273.12350	14.4
274.10739	16.0
277.15509	2.3
279.53021	1.3
291.13394	47.9
293.08432	1.7
296.10846	1.4
301.11853	8.3
302.70886	1.2
313.11832	4.1
314.12219	7.6
319.12915	41.0
319.16528	3.6
320.13443	1.6
322.78424	1.2
337.13943	100.0
337.17441	5.2
338.14288	2.5
340.10275	1.6
359.49051	1.3
379.08255	5.7
413.07230	2.3
481.17224	2.1
499.19766	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17030	0.8
55.29395	0.9
55.93515	0.9
57.03433	1.6
61.02919	1.6
67.05487	1.7
69.03432	4.6
69.07063	9.1
70.06561	1.5
71.04946	1.0
71.58447	1.5
72.08131	0.9
72.93790	1.0
73.02901	0.8
76.90267	0.8
79.05500	1.4
81.03407	2.1
84.08152	0.9
85.02906	8.6
87.04463	0.9
90.80307	0.8
91.05444	1.5
91.83663	0.8
94.06567	11.0
95.04980	1.8
96.04453	1.1
97.02890	3.5
98.05995	1.2
99.04417	1.5
105.07028	1.1
109.02892	1.7
109.06442	0.8
110.06018	3.5
110.07117	0.9
112.03947	1.5
112.07578	2.7
122.06023	38.6
123.04420	1.4
123.06812	2.5
124.07614	2.4
127.03916	1.8
130.06505	1.3
135.04381	1.2
136.07671	0.9
137.06003	1.4
138.05486	1.4
138.09171	2.3
140.07057	56.8
141.07358	1.1
146.05945	1.0
147.04454	1.2
148.07574	1.5
150.05478	2.7
151.06258	9.0
152.07059	34.4
152.08290	1.8
157.07671	1.4
159.07899	1.2
162.09094	1.7
163.03903	2.6
164.07076	1.2
178.04985	4.1
179.05757	4.2
180.06494	1.7
180.10158	1.8
188.07068	1.2
200.07074	1.3
200.10759	1.5
201.86905	1.0
202.08624	1.3
204.06479	1.2
207.00940	1.4
213.03850	1.2
217.06699	1.0
228.10168	5.0
237.02727	1.1
246.11247	29.3
256.09692	3.0
259.14404	1.1
268.11761	1.1
273.12354	14.8
274.10693	14.8
274.13452	1.0
275.07248	2.6
291.13370	48.1
293.08313	8.2
296.76239	1.0
301.11835	8.1
302.10355	1.4
313.11874	2.8
314.08990	1.1
314.12045	6.2
319.12878	43.8
320.13300	1.2
325.07077	1.1
337.07245	4.6
337.13919	100.0
338.14120	2.8
340.10065	1.1
379.08350	11.4
391.08282	1.9
481.17615	1.2
485.72714	1.0
499.19580	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	499.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05499	1.0
59.04982	0.5
61.02900	0.5
64.51940	0.3
65.24928	0.4
67.05489	1.4
68.99789	0.4
69.03413	1.6
69.07066	1.9
71.04988	0.6
71.59254	0.4
77.03946	0.5
79.05494	2.0
81.03398	1.3
81.07046	2.8
83.04973	0.5
83.63198	0.3
85.02905	1.7
85.06500	0.6
91.05484	3.7
93.07001	1.7
95.01304	1.2
95.04959	0.9
95.08601	1.2
97.02892	0.9
97.06509	1.3
97.10159	0.5
99.04398	0.8
100.21615	0.4
103.05444	0.4
105.03394	2.4
105.07021	3.0
107.04916	0.7
107.08559	1.8
109.02863	0.6
109.06488	2.0
109.10144	0.6
111.08021	0.4
115.05420	0.7
117.07021	1.3
119.04932	0.8
119.08582	3.1
121.06504	1.5
121.10195	0.5
123.00784	0.6
123.04395	0.9
123.11670	0.4
125.05949	1.1
127.03902	1.2
128.06233	0.7
129.01839	0.6
129.06996	3.1
131.04845	0.3
131.08536	1.1
133.06467	1.0
133.10081	0.9
135.04378	0.4
135.08073	0.8
135.11678	0.5
141.07042	0.6
143.06992	0.6
143.08528	0.5
144.05743	0.6
145.06459	0.7
145.10146	2.7
147.04362	0.6
147.08052	5.3
147.11655	0.4
149.02336	2.0
149.09584	0.4
151.03893	2.7
157.06439	1.0
157.10071	0.4
159.08061	0.8
159.11713	1.2
160.05208	0.8
161.02336	18.0
161.05972	5.7
163.03912	2.5
163.11174	0.9
167.03387	5.2
173.09573	2.1
175.03893	2.7
175.07545	3.4
177.12703	0.4
185.05974	5.3
187.11142	2.1
188.04628	0.5
191.10553	0.6
203.07025	100.0
204.07349	1.3
205.12248	1.2
215.10670	1.7
221.08096	1.5
233.11659	1.2
295.05917	0.4
337.10684	62.7
338.11096	1.0
421.57089	0.5
447.91519	0.4
455.22369	0.4
499.20786	1.4
499.29120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.8
53.67957	3.7
54.99679	3.4
55.01861	6.7
55.05507	33.4
57.03432	19.8
57.07075	5.7
57.73830	3.5
61.02924	35.6
67.05505	92.2
69.03434	27.5
69.07066	44.2
71.04991	8.9
71.31188	3.7
71.58948	3.6
71.59363	5.6
73.02927	20.3
79.05491	50.0
79.94965	3.5
81.03419	27.3
81.07054	100.0
83.04974	10.0
83.08617	20.3
85.02909	38.1
85.06551	6.9
91.03978	21.1
91.05474	33.9
93.07043	49.3
95.04960	9.7
95.08607	66.8
97.02878	34.4
97.06506	12.4
97.10145	12.4
99.04458	8.0
101.02382	7.9
103.03918	7.4
105.07030	28.1
107.04956	26.9
107.08587	37.3
109.02905	10.6
109.06511	6.4
109.10145	26.0
111.08070	6.6
117.07029	12.1
119.08561	18.3
121.06474	4.6
121.10146	28.6
123.11712	13.7
123.19154	4.2
127.03909	8.3
129.05428	4.6
129.07040	5.9
131.08577	10.7
133.10124	14.5
135.08086	9.4
135.11641	10.8
137.05750	3.7
145.05019	5.0
145.10173	7.8
147.11731	7.7
149.09596	12.7
149.13232	13.5
159.11679	9.9
161.13170	5.3
163.14899	4.5
177.12794	6.0
191.21593	3.9
195.13834	13.1
245.22607	10.8
263.23715	11.4
269.17474	34.5
273.18463	8.3
289.75604	3.9
291.19495	58.8
337.27399	48.9
371.25891	8.9
389.26694	5.7
445.29480	6.4
456.45831	4.6
463.30597	49.7
464.30872	9.0
499.32486	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	498.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.1
57.03430	10.1
57.35673	1.9
61.02940	3.2
67.05507	41.9
69.07064	6.8
70.72243	4.1
70.72612	4.7
71.05005	10.4
77.35416	1.8
79.05502	16.1
81.03432	2.3
81.06583	3.8
81.07059	66.6
83.04985	3.1
83.08621	6.1
84.91567	2.3
85.02888	3.1
85.06558	7.1
85.40468	2.0
86.84457	1.9
91.05499	16.6
93.07050	25.7
94.56179	1.8
94.93192	1.9
95.08618	10.8
97.06541	8.2
97.10191	2.4
100.50941	1.9
104.08315	1.9
105.07042	6.3
107.08612	9.3
109.10178	4.4
109.95326	1.9
111.08086	4.3
117.07053	5.9
119.08611	2.6
121.06483	3.3
121.10136	4.7
123.11719	9.8
125.09578	2.0
125.12421	1.9
131.08582	6.0
131.18794	1.9
133.10144	13.2
135.11714	3.4
149.09743	2.5
149.13289	12.8
151.11232	5.2
159.11685	31.4
171.68495	2.1
177.12755	37.3
179.14375	9.2
187.13336	10.4
195.13811	5.7
213.14816	2.5
243.15935	37.1
251.16351	13.4
269.17477	100.0
270.17889	2.5
301.20087	16.7
313.16516	4.6
445.24417	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	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
54.98598	1.2
55.01879	1.5
55.05507	8.9
57.03435	7.4
57.07063	2.3
60.47575	1.3
61.02907	3.8
67.05499	43.3
69.03413	4.9
69.07068	9.0
70.04531	6.7
71.04987	17.6
73.02908	1.8
75.50108	1.2
79.05481	14.2
81.03405	7.9
81.07051	68.1
83.04945	4.7
83.08624	6.8
85.02882	5.0
85.06544	8.0
87.04469	1.9
91.03925	1.7
91.05467	17.7
93.07036	24.1
95.04980	6.9
95.08598	9.6
96.42578	1.2
97.02874	5.0
97.06519	6.7
97.10164	3.0
98.21468	1.9
99.04430	1.7
99.08077	5.2
105.07009	7.5
107.08584	10.9
109.02876	6.7
109.06537	2.8
109.10138	6.0
111.04404	2.3
111.08086	3.2
117.07004	4.9
119.08585	3.0
121.06482	1.6
121.10115	4.8
123.04431	1.3
123.11696	12.2
125.09570	2.0
127.03878	7.1
128.06259	1.4
131.08542	5.0
133.10118	15.1
135.11671	5.8
141.12457	1.2
147.08044	1.8
149.13280	10.6
151.11172	5.7
159.11690	18.5
160.03874	1.3
161.02318	3.8
161.13223	4.7
167.06987	1.6
169.10133	4.9
169.12212	2.2
175.07571	1.7
177.12750	27.4
179.14311	12.5
187.13310	12.0
193.12279	1.5
195.13806	5.2
203.07025	20.2
213.14836	2.1
233.15337	2.8
243.15915	44.9
249.14885	2.0
251.16399	3.8
269.17468	100.0
270.17746	2.8
295.15396	1.9
301.20126	4.9
309.16815	1.3
313.16470	26.4
321.17072	1.7
337.10733	11.3
339.17960	5.0
371.20544	7.4
395.89682	1.5
458.21207	1.3
499.21402	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	498.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96466	0.4
57.03418	0.6
67.05507	1.0
69.03423	1.3
69.07073	3.2
69.91531	1.4
69.91953	1.7
70.06594	1.0
75.07301	0.5
79.05481	0.7
81.07056	1.7
83.04980	1.1
85.02894	1.6
86.29771	0.5
87.70283	0.6
93.07027	1.1
95.04943	1.1
97.02887	1.8
97.06522	0.7
97.07628	0.5
107.08537	0.6
110.06057	0.5
115.03927	1.0
122.06028	1.0
126.09162	0.6
133.02856	1.2
133.04959	0.8
133.06477	0.5
133.10115	0.8
137.05972	1.0
138.05486	3.7
140.07072	1.1
147.06792	0.7
148.07538	1.9
150.05484	2.1
151.05812	1.2
166.04988	3.2
169.04956	0.8
174.05424	0.6
180.00771	0.6
181.08887	1.3
193.05017	1.5
194.09666	0.9
196.09891	2.0
196.11469	0.9
197.10666	0.7
198.09270	0.7
209.08478	1.1
211.06013	2.1
211.08675	1.8
211.12328	1.4
212.09325	1.3
213.10324	0.8
221.10797	1.6
222.09140	1.8
223.08594	0.9
224.07423	0.6
224.11043	3.1
225.10176	4.6
226.10773	0.6
237.10213	3.6
239.08154	1.1
239.11818	9.5
240.08907	1.2
241.09671	0.7
249.10120	1.2
250.08688	1.5
250.11099	0.8
251.08122	1.2
252.09007	1.9
253.09724	5.7
254.10368	1.3
255.11282	1.4
265.09784	2.8
266.10254	0.8
267.11288	16.5
268.11935	0.8
269.12808	1.0
270.11176	1.6
277.09644	1.1
279.07492	1.1
280.08566	0.9
281.09119	1.1
285.12274	0.9
287.10367	0.8
293.09210	1.8
295.10757	19.8
300.10675	0.7
311.10211	2.0
313.11813	100.0
314.12408	3.2
318.11621	1.7
321.08652	3.6
335.12344	1.3
336.12549	2.9
339.09769	16.6
356.12399	0.6
357.10620	1.2
454.19800	6.2
480.17435	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33354	0.5
55.05501	0.7
57.03410	0.5
57.07386	0.5
65.03931	0.5
65.77071	0.4
67.05490	0.8
69.29381	1.8
69.29800	3.7
70.06596	1.0
72.08155	2.5
81.03396	0.6
81.07067	0.5
84.04491	0.9
85.02901	1.4
94.06598	0.6
94.99796	0.4
95.04951	0.7
97.06560	0.6
115.08691	5.9
119.04900	0.6
120.04456	0.6
120.08078	0.6
122.06026	0.7
124.07602	0.6
125.79881	0.4
136.07578	0.6
137.06078	0.7
138.05489	4.7
140.07080	0.8
141.06537	2.7
146.06030	0.8
147.04384	0.6
147.06758	1.8
148.07567	3.3
148.09752	0.5
150.05548	1.1
153.01822	1.1
160.09679	2.5
163.03922	1.3
166.04985	3.8
167.07111	3.4
170.19899	0.6
174.05577	1.4
181.08878	0.9
189.44348	0.5
194.09631	0.9
195.09119	0.9
196.09818	0.7
197.10654	0.6
211.08633	2.5
211.12254	1.2
212.09328	1.0
217.30629	0.6
221.10736	1.3
222.09132	1.9
223.08681	1.1
224.09264	1.6
224.10857	2.1
225.10188	4.4
226.11023	1.0
237.10168	3.7
239.08148	0.7
239.11784	9.8
241.09651	1.4
249.10219	1.2
250.08623	1.7
251.08167	1.4
252.08965	2.7
253.09698	7.0
254.10428	1.7
255.11264	1.4
265.09717	4.5
266.10486	1.1
267.11292	16.6
268.12137	0.6
269.12848	1.1
277.09750	0.8
279.07675	1.2
280.08374	0.8
281.09167	1.4
285.12286	1.2
293.09158	2.7
295.10767	21.4
296.11334	0.9
297.08667	0.6
311.10364	2.7
312.10968	0.6
313.11813	100.0
314.12332	2.8
321.08582	4.1
322.14880	0.6
336.12784	0.7
339.09750	21.5
340.09964	1.0
347.09549	1.0
357.10852	1.3
436.18607	0.9
441.03210	0.5
454.19717	5.7
480.17896	2.8
498.16119	2.8
499.13443	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01868	7.0
55.05511	23.7
57.03182	3.4
57.03438	35.2
57.07061	9.4
61.02928	63.0
65.03954	2.9
67.05505	88.1
68.54585	2.6
69.03081	3.1
69.03431	44.9
69.07067	22.5
69.30684	8.8
69.31100	16.0
69.51945	2.3
71.01347	7.0
71.04985	9.2
71.08634	4.8
73.02915	38.9
79.05059	4.8
79.05498	62.5
81.03419	25.9
81.07056	100.0
83.04995	12.5
83.08635	17.2
85.02427	4.4
85.02909	65.8
85.06528	5.6
87.04472	3.9
91.03963	32.3
91.05479	47.4
91.06071	2.3
93.07046	82.2
95.04990	14.9
95.08612	75.1
97.02894	55.6
97.06519	8.2
97.10149	5.0
98.21600	2.8
99.04442	9.2
99.08096	3.1
101.02393	6.7
103.03950	9.0
103.05378	2.4
105.06394	4.1
105.07041	47.7
107.04961	11.7
107.08594	43.3
109.02902	6.2
109.06503	6.2
109.10154	32.1
111.04441	3.9
111.08115	5.1
113.06011	2.4
115.03928	3.2
117.07033	26.3
119.08575	38.1
121.06490	5.7
121.10146	33.3
123.08056	5.9
123.11681	12.1
125.09586	3.7
127.03917	15.3
128.06206	4.1
129.05470	8.3
129.06978	12.4
130.07825	2.6
131.08571	36.2
133.06496	8.0
133.10143	28.5
135.08089	7.6
135.11684	17.5
137.13258	3.8
139.11224	3.2
141.06975	4.6
142.07805	3.9
143.08594	11.8
145.04990	8.8
145.06444	4.1
145.10147	26.0
146.78362	2.4
147.08057	8.4
147.11714	15.9
149.09621	6.7
149.13251	18.4
151.14854	2.9
153.12761	2.5
155.08574	5.2
157.10129	12.3
159.08023	5.1
159.11729	18.7
161.09641	4.4
161.13274	13.3
163.03969	8.3
163.14815	10.3
169.10115	3.1
171.08011	5.0
171.11722	7.4
173.09612	3.7
173.13239	18.3
175.11247	4.7
175.14799	6.0
177.12782	5.3
177.16341	4.2
181.10172	3.0
183.11726	6.6
185.13243	8.8
187.11115	2.9
187.14798	6.3
189.12746	3.3
191.14211	3.5
193.12265	4.6
197.13251	3.9
199.11168	4.3
199.14864	4.9
201.12682	2.8
201.16399	5.6
203.14336	2.8
213.12801	2.9
213.16388	3.5
215.14375	2.6
219.13548	2.6
219.17355	3.0
233.22600	2.9
241.19499	3.8
243.21043	14.3
259.20462	4.9
261.22147	26.6
273.22104	7.6
275.23566	5.7
277.21759	3.5
279.23364	3.9
285.22052	6.2
287.23816	2.6
297.22198	4.1
299.23792	2.7
303.23132	12.2
315.23169	7.5
317.24698	6.6
319.22708	4.4
327.23123	6.9
333.24390	4.8
335.25787	36.3
339.43530	3.0
345.24023	4.0
347.18793	2.9
347.25928	5.3
351.23251	7.3
363.25473	3.9
365.26874	3.7
369.24329	17.8
377.26868	8.5
387.25366	5.5
389.26886	3.8
401.26889	3.6
405.26254	4.4
419.27814	8.6
431.27924	11.7
443.27982	33.3
461.28915	18.7
465.19049	8.6
479.30008	10.8
497.31158	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	497.3108
Annotation	Lesterone
Peak:m/z	Relative Intensity
52.86044	3.6
53.03952	7.7
55.01879	12.3
55.05505	30.1
57.03166	5.7
57.03435	33.0
57.07080	8.1
61.02923	52.8
63.18499	2.9
63.45506	2.9
67.05506	95.3
69.03430	39.2
69.07071	22.8
69.29501	17.9
69.29925	15.1
71.01356	4.5
71.05017	9.5
71.08642	5.3
73.02915	32.5
75.04510	4.1
79.05492	61.5
79.05911	5.0
81.03420	34.6
81.07057	100.0
81.07523	5.0
83.04991	9.8
83.08635	14.6
85.02898	58.0
85.03354	3.5
85.06558	5.0
87.04462	4.6
91.03960	29.7
91.05484	47.1
93.07041	86.8
95.04973	15.1
95.08601	82.5
97.02885	43.4
97.06528	19.3
97.10193	6.7
99.04501	7.3
99.08118	5.4
101.02392	11.5
103.03991	8.6
105.07034	47.6
107.04994	6.2
107.08595	45.3
107.09270	3.5
109.02895	8.9
109.06547	7.0
109.10159	27.9
111.04439	3.6
111.08112	3.2
115.03941	7.8
117.07008	28.0
119.08589	34.3
119.09348	3.7
119.92142	2.9
121.06550	4.5
121.10139	31.4
123.08125	3.7
123.11732	12.4
127.03935	15.5
129.05482	6.8
129.07051	12.9
131.08572	36.6
133.06467	6.6
133.10149	23.9
135.08090	7.6
135.11723	16.7
137.09703	5.1
137.13316	6.8
143.08636	10.8
145.04982	5.4
145.06480	4.4
145.10091	20.1
147.08064	6.5
147.11630	16.6
149.09700	4.9
149.13310	14.0
151.11267	5.1
155.08598	6.0
157.10175	11.2
159.11684	16.1
161.09544	4.2
161.13272	15.6
163.11214	5.8
163.14861	12.4
165.12724	4.0
169.10194	7.3
171.08139	6.6
171.11749	10.2
173.09676	3.3
173.13277	15.2
175.11295	4.4
175.14879	8.3
177.12889	4.0
177.16437	4.8
185.09706	5.3
185.13249	8.1
187.11191	3.4
187.14873	11.6
189.12791	4.5
191.14320	4.5
193.12338	6.1
195.11909	3.9
195.13911	9.8
197.09642	4.3
199.14848	5.8
201.16551	3.7
211.13271	7.2
215.14366	4.8
217.19553	3.0
221.13521	3.9
243.21190	15.0
259.20609	5.5
261.22116	24.3
273.22217	6.2
277.21606	4.4
295.13297	3.3
303.23193	12.8
313.21655	3.5
315.23245	6.5
323.23511	5.6
327.23285	8.0
333.24158	5.1
335.25739	36.1
339.23535	3.8
341.25073	4.7
345.24274	5.0
347.25601	3.7
351.23276	9.5
369.24396	12.0
377.27042	10.9
387.25500	7.2
389.27090	4.9
405.26242	6.4
419.27811	5.9
425.26608	4.6
431.28027	12.1
443.27994	38.2
461.28909	19.0
479.29773	18.7
497.31140	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	497.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04705	0.5
53.03954	1.1
57.03434	1.1
61.02903	0.9
63.05849	0.6
65.03925	1.1
67.05513	3.2
69.03419	4.2
69.07069	58.6
69.54856	2.6
69.55292	2.7
69.82935	0.7
79.05500	0.9
79.96888	0.6
81.03416	1.8
81.07064	3.5
85.02905	7.8
91.05478	0.9
92.04990	1.6
93.07040	0.8
94.06569	3.0
95.04944	1.7
97.02901	4.3
97.06527	10.6
98.21479	1.2
99.04484	0.6
103.46158	0.5
108.04487	0.7
108.08066	0.9
109.06500	1.5
121.05186	0.8
122.06020	6.7
124.07635	1.6
125.05961	1.2
127.03923	0.8
137.05977	3.0
138.05493	4.6
140.07066	5.9
144.08098	1.3
145.08849	2.3
145.10060	1.4
146.09639	3.2
147.06767	1.3
150.05511	72.3
151.05975	0.9
155.08568	0.7
157.08875	1.6
158.09607	0.7
161.08368	4.5
162.09186	3.0
164.03427	1.1
166.05003	17.4
168.06592	1.5
172.07532	1.1
172.11223	2.8
173.08363	1.5
174.05556	0.8
174.09146	1.4
174.12796	4.8
176.03497	4.3
178.04988	2.4
182.09683	0.7
185.08406	1.9
186.07646	2.0
188.10678	1.4
190.08594	1.1
190.12291	6.8
192.02824	1.1
194.04526	2.9
200.10748	6.2
202.12274	6.7
208.10562	0.6
213.10214	1.0
215.11777	0.7
216.10217	4.7
218.08498	1.0
218.11769	21.8
225.10208	0.6
226.08844	1.1
227.11722	1.2
228.10214	14.1
228.12239	0.5
229.13437	1.0
234.11374	3.0
241.09703	1.1
241.64140	0.6
243.11400	1.2
244.09673	2.2
245.12943	1.2
246.11279	19.2
247.11559	0.9
253.09708	1.0
255.11375	1.0
256.09662	1.7
257.09183	1.0
261.12595	1.0
262.10773	0.7
271.08154	0.5
271.10818	4.8
272.09128	3.5
273.12408	2.6
274.10733	2.8
285.82852	0.7
287.10309	9.2
289.11813	9.8
290.10266	1.4
291.13400	0.7
299.10306	6.3
317.11310	32.4
318.06256	0.6
318.09531	1.6
319.60385	0.8
335.12378	100.0
336.12610	1.7
348.78799	0.7
393.58649	0.6
411.19800	1.9
453.20944	7.7
497.19968	13.2
518.16571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10918	8.4
53.03940	8.9
55.05505	13.7
56.96559	21.1
60.93466	7.8
65.00072	7.7
67.05495	22.7
69.03426	22.0
69.07055	15.5
71.59612	10.3
79.05479	17.5
81.03421	18.6
81.07036	20.8
84.08169	9.6
85.02905	20.8
91.05498	11.0
93.07043	21.3
95.04974	20.1
95.08604	19.7
97.02903	19.8
97.10181	9.1
98.97588	29.4
99.04467	9.0
105.07024	16.0
107.08585	16.4
109.02850	17.3
109.10163	14.4
116.98608	28.4
119.04898	10.0
119.08606	11.7
121.10082	12.9
123.04413	12.3
125.09554	8.3
127.03923	11.9
128.98633	12.0
131.08559	11.9
133.10117	13.3
134.99638	13.2
135.08040	17.0
137.05994	11.7
137.09592	9.1
145.10123	21.2
146.99641	16.0
149.05972	10.8
158.99585	7.9
163.03889	13.9
167.07039	13.9
175.07500	13.7
177.00699	13.4
189.00827	10.0
202.04710	9.0
219.01758	19.7
237.02719	46.2
249.14587	12.2
411.16553	14.2
429.17899	13.1
453.20538	12.5
497.13611	100.0
497.21002	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38917	3.2
57.06824	4.6
57.07076	72.1
57.45897	3.3
59.04980	6.0
67.05484	6.6
69.07058	5.1
70.10305	3.5
71.08627	61.9
71.59857	4.9
71.60212	4.0
73.06550	13.9
83.08579	4.9
83.80424	3.1
85.10181	33.5
87.04480	6.1
89.06030	100.0
97.10146	5.6
99.11703	5.6
104.10742	4.0
117.09072	6.3
119.36468	4.2
124.50420	3.3
131.10663	6.0
133.08554	5.8
169.19479	7.5
184.07368	4.3
213.22127	5.7
257.24811	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	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80166	0.3
54.65847	0.3
55.05499	0.7
56.05020	0.5
57.07055	0.8
58.06602	0.7
60.07885	0.5
60.08164	6.6
67.05489	0.9
69.03419	0.6
69.07054	0.7
71.07368	4.1
71.59277	0.8
71.68270	0.3
79.05462	0.6
81.07059	1.8
82.07353	0.5
85.02847	0.3
86.09703	32.7
91.05476	0.6
93.07026	1.1
95.08617	0.7
96.64387	0.4
97.02863	0.5
98.98465	2.9
104.10733	2.9
105.06990	0.6
107.08598	0.4
109.10121	0.6
121.10168	0.3
125.00000	21.1
133.10123	0.4
143.01021	0.6
149.13162	0.4
184.07335	100.0
185.07635	0.8
343.12665	0.4
360.28854	0.4
478.33047	1.1
496.34033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42331	0.2
53.03325	0.2
55.05500	0.7
56.05025	0.8
57.03428	0.7
57.07077	3.8
58.06604	1.1
59.07362	0.3
60.08163	17.2
66.65664	0.2
67.05500	1.1
69.07055	0.7
71.07372	7.7
71.08630	2.4
71.09446	0.6
71.09788	0.4
81.07040	1.3
83.08626	0.6
84.08127	0.3
85.10173	1.2
86.09705	52.7
87.10028	0.5
91.05486	0.3
93.07065	0.3
95.08601	1.3
98.98466	4.6
104.10744	100.0
105.06981	0.3
105.11079	0.7
109.10155	0.3
109.96729	0.2
117.06956	0.3
125.00004	28.3
131.08562	0.3
143.01062	0.5
147.15128	0.3
161.81000	0.2
162.65634	0.2
163.01573	0.7
184.07341	98.7
185.07678	1.0
199.03624	0.3
211.14899	0.3
258.11108	0.9
280.43134	0.2
313.27362	1.7
395.72653	0.3
419.25284	0.4
478.32935	7.2
496.33969	19.4
497.34460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01861	6.5
55.05500	2.2
57.03438	2.6
61.02927	2.4
61.49610	1.9
67.05486	4.9
69.03435	11.6
70.06590	4.9
70.32629	8.6
72.41633	2.1
79.05489	7.6
79.36134	2.0
79.55918	2.5
81.03407	6.2
81.07031	5.0
84.08125	2.4
85.02898	23.1
88.75996	2.1
91.05470	9.1
93.07030	11.5
95.04971	3.3
95.08620	2.4
97.02886	8.1
99.04472	2.9
103.05486	3.3
105.07034	20.9
107.04950	100.0
107.08595	12.2
109.02878	4.2
119.08566	4.6
121.06541	9.9
121.10123	4.1
127.03886	6.3
129.07008	4.1
131.08553	17.4
133.06488	79.7
133.10159	3.3
135.08054	6.8
137.05945	2.4
145.06445	5.4
145.10098	2.7
147.04424	2.9
147.08041	4.3
147.11664	2.7
149.09608	28.9
157.06529	4.4
159.08055	2.7
161.09607	2.4
167.06993	2.7
171.08002	3.3
173.09627	2.9
175.11055	2.9
183.07909	2.8
187.11128	6.3
201.09087	2.5
203.06895	2.2
207.08041	4.8
220.94527	2.2
221.09615	4.5
233.11703	5.6
234.07674	2.3
235.11299	2.8
249.11319	3.1
255.13837	5.8
263.14346	12.4
281.15363	35.5
299.16431	25.1
300.81516	2.1
314.54810	2.0
452.19965	5.1
478.15552	2.7
496.22568	18.3
496.28265	3.7
497.19791	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.6
55.01867	15.1
55.05513	40.6
57.03441	38.0
57.07066	3.7
57.34877	3.5
60.91358	3.5
61.02925	45.9
62.04092	3.6
65.03932	7.9
67.05506	82.2
69.03432	40.1
69.07061	30.8
71.01336	8.1
71.04990	11.7
73.02912	45.7
79.05058	7.2
79.05493	84.9
81.03425	36.7
81.07054	96.1
83.04986	17.5
83.08618	17.3
85.02907	70.1
85.06544	5.4
87.04494	6.8
89.09653	4.2
91.03951	26.4
91.05478	95.1
93.07043	87.8
95.04963	26.9
95.08602	59.4
97.02892	50.0
97.06542	7.8
97.10178	12.6
98.20670	8.7
99.04474	11.4
99.08138	4.0
101.02374	10.1
101.05947	3.7
103.03965	12.9
105.07032	100.0
107.04976	11.5
107.08603	55.7
109.02894	9.1
109.06516	13.2
109.10155	24.7
111.04481	7.1
111.08089	9.7
115.03965	9.9
115.05451	7.8
117.07012	43.3
119.04906	4.7
119.08581	71.5
121.06522	12.2
121.10157	38.2
123.04442	27.3
123.08067	9.7
123.11741	4.7
127.03923	18.0
128.06227	10.8
129.05522	7.9
129.07022	35.9
131.08549	60.3
133.06491	11.1
133.10144	49.1
133.25563	3.6
135.08067	9.5
135.11716	30.7
137.09584	4.1
141.07014	7.7
142.07857	8.0
143.08578	34.3
145.04944	9.8
145.06477	11.9
145.10121	47.3
147.08075	7.3
147.11685	35.4
149.09642	10.4
149.13264	15.9
151.29790	3.9
152.58746	4.2
155.08554	16.6
157.06532	4.9
157.10138	29.4
159.08095	9.5
159.11691	42.5
161.09625	10.2
161.13300	26.4
163.03864	4.4
163.11249	4.7
163.14780	4.8
165.06992	4.3
167.08545	5.2
169.10115	16.9
171.07953	7.9
171.11694	31.5
173.09685	12.1
173.13188	25.7
175.11209	10.7
175.14862	11.0
179.08539	6.7
181.10181	8.9
183.11699	13.7
185.09602	8.9
185.13277	30.7
187.11247	9.9
187.14810	7.8
195.11768	11.2
197.09575	4.1
197.13232	12.1
199.11249	6.5
199.14841	8.4
201.12778	8.4
203.14369	5.5
209.13338	11.0
211.11252	7.8
211.14943	5.3
213.12767	5.3
213.16251	5.1
219.13773	4.9
224.93648	4.2
225.16324	4.0
227.12634	7.3
231.20903	6.1
237.12880	5.4
239.18063	5.4
241.19604	9.2
257.18915	9.7
259.20621	20.9
271.20609	8.2
275.20059	8.4
277.21701	7.0
283.20627	6.4
287.20221	5.2
301.21732	8.9
313.21628	11.8
315.23318	7.7
321.22070	6.0
323.09180	7.5
325.21686	9.6
331.22754	8.7
333.24246	48.1
337.21609	5.6
339.23407	7.0
343.22562	5.4
345.24207	7.6
349.21307	5.9
357.24249	7.6
361.23773	9.0
363.25259	7.9
367.22714	18.7
375.25369	5.2
385.23715	12.5
386.01913	3.8
387.09995	3.8
387.24939	4.4
403.24921	8.5
417.26425	11.1
423.24734	4.1
429.26385	12.6
432.21570	4.6
441.26312	30.8
459.27237	26.2
463.17542	22.0
477.28461	26.1
495.20251	4.5
495.29709	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1841
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
59.59497	0.8
69.03461	0.9
69.07098	1.0
71.12535	1.9
81.07037	1.4
85.02922	1.8
91.05478	1.1
93.07038	1.9
97.02888	1.2
100.91045	0.9
105.07033	1.9
107.08611	1.7
119.08572	1.5
131.10370	1.0
145.10086	1.2
203.05295	1.2
222.04005	1.0
229.09912	1.0
229.11908	4.4
231.13684	1.4
245.06403	2.7
247.13118	5.2
271.04431	1.5
282.02792	0.9
287.03735	1.5
289.05319	26.6
333.19067	1.5
345.10828	1.5
409.18298	6.9
433.18433	2.3
451.19449	22.2
452.19531	1.2
477.17352	2.8
495.18320	100.0
496.18619	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
53.31936	1.7
55.05519	14.6
56.96563	2.1
57.03421	2.7
57.07075	5.1
60.13891	1.9
67.05517	16.8
69.03432	9.4
69.07072	13.7
69.99852	2.9
70.00253	10.3
70.06589	7.0
70.45510	1.9
71.04971	4.3
72.08162	19.3
79.05494	9.8
81.03413	7.1
81.07064	24.1
82.59695	2.4
83.04966	3.6
83.08617	4.9
85.02911	14.5
86.09713	19.5
87.00833	6.2
91.05482	13.8
93.07048	19.1
95.04965	6.0
95.08606	41.7
97.02886	7.3
97.06521	3.1
97.10157	2.3
98.21417	2.2
99.08088	2.6
105.01875	12.1
105.07033	22.8
107.04953	2.4
107.08604	32.4
109.02889	5.5
109.06529	4.8
109.10160	70.0
111.08084	7.8
115.08721	2.1
117.06992	2.7
119.08585	61.4
121.10144	61.2
123.04380	2.3
123.08049	12.2
123.11703	39.0
125.09608	5.1
127.03928	11.3
127.08678	2.2
130.06531	1.8
131.08585	2.7
132.08072	2.8
133.10133	43.9
135.11694	41.4
137.05954	7.3
137.08649	3.5
137.09618	37.3
137.13245	12.9
138.06364	2.3
139.11192	5.6
143.07053	2.4
145.04967	4.2
147.11679	6.3
149.06009	2.8
149.13245	25.9
151.11183	2.6
151.14836	5.3
153.05493	2.4
155.10670	2.8
159.09172	7.4
163.07578	2.6
165.16388	9.0
167.14378	2.8
175.14838	100.0
185.16496	9.5
193.15889	75.4
193.17665	3.6
211.16939	14.6
213.15979	4.0
231.05025	5.3
249.05959	3.6
284.09814	4.9
314.17929	2.5
331.20605	2.1
332.21201	3.3
408.82190	2.0
489.27222	2.4
494.26572	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93349	4.3
53.24544	4.5
55.05502	9.2
62.86583	4.2
67.05507	17.8
69.03442	10.0
69.07066	21.6
71.04967	4.5
71.13552	6.8
71.13859	5.7
81.07069	24.8
83.08604	6.5
85.02892	22.2
85.06560	6.5
87.00824	9.8
91.05469	15.8
93.07038	24.0
95.08607	49.0
97.02885	4.9
105.01857	25.8
105.07045	26.2
107.08617	32.8
109.02911	7.5
109.06506	11.3
109.10149	62.8
111.08090	10.0
119.08579	66.8
121.10134	95.7
123.08073	17.4
123.11714	15.9
127.03925	11.5
133.10136	54.6
135.11699	37.6
137.09636	21.3
137.13229	9.3
139.11168	13.5
147.11673	10.2
149.13263	63.1
151.14812	8.7
165.14952	4.2
165.16405	10.3
175.14818	100.0
193.15884	94.3
211.17033	6.1
231.05086	7.2
275.88739	4.8
302.11255	4.9
314.11505	9.7
361.39838	5.0
403.75513	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	494.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03923	0.5
55.01856	0.6
55.05506	0.8
57.03417	1.4
60.39663	0.5
65.03943	0.6
66.04703	0.7
67.05479	1.3
68.79820	0.5
69.03419	1.4
69.07061	0.8
70.18341	2.0
77.03919	0.5
79.05485	5.0
79.97623	0.5
81.03402	1.6
81.07066	1.3
85.02905	2.4
87.00807	0.7
91.05476	5.5
93.07035	1.4
95.04942	1.5
96.04488	20.0
97.02888	0.9
98.20929	0.7
103.05465	4.7
104.06269	0.5
105.07029	12.8
107.04917	2.2
107.08590	0.8
108.05753	0.8
109.02888	3.0
109.06512	1.8
115.05440	1.9
117.06986	0.8
118.04156	13.5
119.04950	5.8
120.05693	1.2
121.06484	1.9
122.07258	1.2
123.04433	0.5
124.05215	7.7
127.03881	1.4
131.04941	1.4
132.05630	0.6
133.02850	0.9
133.06488	21.5
134.07233	1.6
135.04390	1.9
135.08052	3.5
137.05975	6.8
147.04422	5.7
149.06013	0.8
150.05696	0.7
150.06769	7.1
151.07549	4.4
155.08391	0.5
161.05981	4.4
163.07480	0.5
165.09103	12.0
178.06271	1.1
179.07016	3.3
193.03189	5.0
193.08601	100.0
194.08954	1.2
246.11366	0.7
246.23535	0.5
250.50206	0.5
323.12781	2.4
494.16821	0.8
494.27975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01864	5.6
55.05493	4.7
57.03439	2.4
57.89345	1.7
60.04526	2.8
65.03939	2.6
67.05507	9.9
69.03411	4.3
69.07063	3.1
71.04985	2.5
71.59288	2.8
75.04493	2.2
79.05493	15.2
81.03414	6.4
81.07045	8.6
83.04967	2.6
83.08585	2.7
85.02908	5.4
89.03947	2.4
91.05485	21.6
93.03403	7.2
93.07034	8.9
95.04961	15.1
95.08588	2.6
96.04469	5.8
97.02890	2.8
97.06550	4.4
97.10174	2.6
103.05473	10.0
105.07031	6.4
106.04180	18.1
107.04956	100.0
107.08581	6.2
109.02847	2.1
109.06550	2.7
109.10137	3.1
114.88996	1.8
115.05421	7.6
117.06999	6.3
119.04926	3.4
119.08589	3.8
121.06506	29.3
121.10127	3.6
122.10475	2.7
123.04465	5.0
125.05952	5.4
127.03896	4.2
128.06224	2.7
129.06985	6.2
131.04939	5.5
131.08516	4.2
132.05734	2.1
133.02824	2.2
133.06459	2.5
133.10112	2.7
134.03671	4.2
135.04417	2.1
135.08029	7.0
135.11713	2.6
136.07507	2.0
137.05969	8.0
139.07506	4.3
145.06546	3.3
145.10138	2.6
148.05173	4.4
149.05974	37.5
151.07532	4.6
153.05504	2.3
153.09062	11.2
157.06462	5.3
160.05098	3.1
161.05995	15.7
161.09592	9.5
163.07542	65.9
165.05495	2.1
167.07050	47.5
168.06592	2.7
173.06004	3.4
174.06772	13.7
177.05467	25.2
177.09134	2.4
179.07047	3.5
180.07806	6.1
181.08621	16.6
189.09113	67.4
191.07053	18.0
191.10608	1.8
192.07732	7.9
193.12347	2.8
201.09094	3.8
209.06061	4.3
209.08092	92.6
219.10146	12.1
223.04248	8.3
244.81737	1.9
272.14224	2.0
323.12735	5.7
332.27896	3.9
343.15344	8.6
355.15317	5.0
451.79819	2.0
466.19714	4.2
476.27496	3.7
494.28119	3.6
502.11459	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.6
57.03440	9.4
57.07074	60.4
63.52747	5.8
64.05532	6.2
67.05514	37.8
68.05888	5.2
69.07059	21.9
70.13070	31.6
71.08636	54.7
79.05507	9.2
81.07063	30.2
83.04930	7.5
83.08607	19.8
85.10176	25.5
89.81401	5.9
91.03979	6.4
91.05453	10.3
93.07047	9.3
95.08610	46.5
96.52769	6.0
97.10181	8.6
105.07040	6.9
107.04906	5.9
107.08592	6.7
109.10145	26.6
109.20684	5.4
112.19888	5.4
123.11657	16.6
123.30171	6.8
182.10014	5.5
206.31248	6.1
209.11491	19.4
220.01797	5.8
239.23711	46.7
240.91620	5.8
257.24808	6.1
313.27396	100.0
341.17429	7.2
493.32462	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	493.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40167	3.5
55.05520	8.7
57.06824	5.2
57.07078	52.9
60.45592	4.2
67.05517	21.7
69.07062	10.9
70.91476	10.9
71.08628	40.9
79.05506	8.6
81.07055	24.9
83.08602	14.6
85.10184	23.2
91.05485	5.7
93.07010	7.9
95.04940	4.6
95.08609	36.7
97.10151	7.1
100.15891	3.5
102.61763	4.6
105.07037	7.7
106.54886	3.5
109.10144	20.6
121.10138	4.1
123.11726	8.6
131.08583	6.7
142.70049	3.9
152.20241	3.7
156.03662	7.0
221.22577	4.3
232.49512	3.7
234.53534	4.7
239.23711	34.5
248.83754	4.1
262.01038	3.8
299.28860	4.1
313.27344	100.0
347.17145	22.3
347.67230	5.4
383.55896	4.0
493.32492	6.0
513.99805	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	493.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.8
55.01876	5.3
55.05513	10.2
57.03430	6.4
67.05504	30.1
69.03426	19.9
69.07072	9.0
71.59819	8.4
73.98998	4.1
79.05504	17.1
80.65469	3.6
81.03425	23.4
81.07059	29.9
83.04982	8.7
83.08619	7.0
85.02908	9.4
91.05477	22.0
93.07039	21.8
93.22038	4.2
95.04965	18.5
95.08616	33.2
96.08947	5.6
97.02902	8.0
97.10198	5.1
99.08091	7.6
105.07025	16.9
107.04922	8.4
107.08588	15.1
109.06532	9.7
109.10134	22.4
111.04456	6.1
116.50332	3.9
117.07011	8.3
119.08579	10.1
121.06507	7.0
121.10139	13.7
123.04464	4.8
123.08070	19.9
123.11660	8.3
125.09622	6.6
127.03922	6.5
129.07004	6.5
131.08604	9.6
133.10143	9.5
135.04420	4.5
135.08035	8.5
137.05984	17.2
137.09633	7.7
143.08592	4.3
145.06517	4.3
145.10165	7.9
147.08115	4.5
147.11728	5.8
151.07544	100.0
154.88895	4.1
159.11737	6.0
161.05930	4.2
163.07555	5.1
163.11168	7.5
165.09116	33.0
166.09489	5.9
177.09090	11.4
183.06651	4.9
187.11143	5.7
189.09244	6.1
191.07042	9.5
191.10660	32.5
191.94131	4.3
193.08496	5.0
193.12407	7.2
199.07634	5.0
205.12273	17.4
227.12776	5.5
229.08659	6.8
303.19409	4.1
401.23090	5.2
475.26877	5.7
493.18158	7.6
493.28003	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	493.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01870	8.8
55.05504	53.6
57.03423	12.9
59.05004	6.1
61.25885	3.1
65.03933	4.4
67.05501	100.0
69.03440	4.8
69.07063	30.0
71.04976	13.7
71.59012	4.2
77.03924	3.4
79.05061	5.2
79.05492	73.6
81.03416	20.6
81.07052	90.8
83.04977	11.6
83.08617	28.9
84.74924	3.6
85.02890	5.5
85.06546	8.2
91.05477	97.5
93.07038	77.3
95.04965	25.7
95.08600	58.2
97.02872	4.1
97.04501	3.4
97.06551	16.4
97.10172	17.7
103.05442	8.9
105.07026	74.9
107.04951	18.6
107.08585	38.4
109.06519	10.6
109.10170	20.2
111.04440	4.1
111.08092	11.5
115.05456	6.9
116.06207	3.6
117.07027	54.1
119.08574	44.7
121.06498	16.8
121.10143	28.0
123.04336	3.4
123.08063	13.0
123.11668	4.9
125.09631	15.3
128.06236	16.9
129.06996	62.3
131.04900	5.8
131.08556	78.6
133.06482	14.1
133.10136	29.7
135.04462	4.0
135.08046	16.9
135.11685	11.3
137.05994	4.0
137.09579	5.6
141.06999	24.2
142.07805	7.7
143.08553	42.6
145.06496	18.9
145.10103	30.4
147.08057	14.2
147.11679	13.4
149.09625	13.9
149.13255	9.2
151.11197	6.0
153.06992	3.8
153.09161	4.2
154.07809	3.8
155.08540	35.0
157.06541	5.2
157.10112	31.6
159.08054	7.0
159.10532	3.3
159.11679	16.6
161.09607	10.5
161.13220	6.2
163.07854	3.1
163.11163	9.3
167.08577	14.8
169.10138	14.4
171.11684	13.7
173.09648	7.1
173.13255	3.2
175.09602	4.3
175.11200	9.3
175.14722	5.4
177.12767	7.5
179.08585	8.1
181.10129	14.6
183.11674	16.8
185.09686	7.8
185.13252	16.9
187.11115	4.9
187.14828	6.2
189.11145	7.2
189.12747	5.4
193.10307	4.6
193.12248	13.2
195.11734	13.2
197.13284	11.1
199.14824	9.4
201.12704	9.2
203.14330	8.6
207.11732	6.5
209.13281	11.4
211.13150	4.7
211.14915	6.1
213.12737	6.7
215.14389	6.6
217.15956	7.4
221.13251	9.2
221.15390	6.7
223.14848	11.1
227.12674	5.0
227.14653	4.0
229.15898	5.3
231.13838	4.9
233.13222	4.5
235.14830	6.9
239.14404	7.2
241.15942	4.7
249.16615	5.2
253.15970	5.1
257.15436	7.9
259.16864	4.1
271.16943	4.4
305.22629	5.3
323.23642	8.2
333.22083	16.5
341.24792	9.9
351.23141	44.0
369.24158	54.5
383.25757	9.6
387.25266	13.0
401.27155	20.1
419.28088	3.7
437.29010	4.6
443.27991	21.0
461.28918	22.8
475.30862	9.5
493.32529	30.0
498.74985	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	493.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01860	11.0
55.05511	54.8
57.03421	9.2
58.67828	2.5
65.03938	6.1
67.05502	100.0
69.03416	7.7
69.07065	35.3
69.89011	14.5
69.89421	5.2
71.04636	2.7
71.04996	11.2
73.06525	2.6
79.05492	80.3
81.03416	23.4
81.07052	92.3
83.04978	15.1
83.08614	37.2
85.06529	9.0
91.05474	95.6
93.07041	75.6
95.04958	25.3
95.08602	52.7
97.02884	4.4
97.06528	15.1
97.10169	18.3
99.00838	5.1
99.08086	5.2
103.05451	7.9
105.03426	3.3
105.07028	72.4
107.04958	15.8
107.08586	39.2
109.02884	3.6
109.06516	12.7
109.10158	26.0
111.04450	5.6
111.08086	12.5
115.05436	9.2
117.07019	51.2
119.04932	4.1
119.08579	36.6
121.06497	14.8
121.10141	24.3
123.08082	11.4
123.11708	3.5
125.09654	8.6
128.06216	15.6
129.07008	63.7
131.04967	4.5
131.08559	70.9
133.06488	10.7
133.10138	39.3
135.08057	9.0
135.11697	11.9
137.05981	5.7
137.09625	6.6
139.11183	6.8
141.06972	25.5
142.07755	6.2
143.08562	47.1
145.06494	11.9
145.10104	30.7
147.08038	11.4
147.11690	12.1
149.09613	12.9
149.13261	9.3
151.11133	6.1
153.07005	4.1
155.08546	35.8
157.06508	5.9
157.10143	27.9
159.08070	10.4
159.11661	21.9
161.09602	11.2
161.13164	3.1
163.11186	12.4
165.12762	4.0
167.08562	14.2
169.10136	18.4
171.08070	8.1
171.11726	10.3
173.09578	5.0
173.13300	5.1
175.11151	8.2
175.14815	4.1
176.88857	2.8
177.12718	9.5
179.08534	6.7
179.10732	4.6
181.10100	15.9
181.12248	7.8
183.11732	10.6
185.09642	5.4
185.13257	6.8
189.09184	3.0
189.11255	6.7
189.12807	6.0
191.10600	6.0
193.10187	5.4
193.12260	14.0
195.11713	15.7
195.13724	5.2
197.13286	9.2
199.11169	5.8
199.14879	5.5
201.12628	3.7
203.12669	3.4
203.14372	4.1
205.12228	4.2
207.11708	4.8
209.13232	9.2
211.13173	4.8
213.12695	6.8
219.11765	4.1
219.13852	3.4
221.13242	12.7
221.94032	3.0
223.14841	7.9
225.16327	5.3
227.12779	12.5
231.13832	3.5
233.15291	6.3
235.14925	5.5
237.16306	3.9
239.14281	6.1
241.15860	4.4
247.16885	4.3
253.15840	7.1
257.15442	6.6
267.16022	5.2
271.16858	8.7
285.18536	3.3
315.20856	3.8
323.23819	8.3
333.22061	16.5
341.24765	8.9
351.23102	43.0
352.23529	3.1
365.24796	3.9
369.24252	36.6
383.26056	4.8
387.25345	7.1
401.27069	29.6
443.27875	12.8
461.28973	13.0
475.30328	10.0
493.26523	26.7
493.31970	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	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.6
53.95568	2.4
55.01871	9.3
55.05511	46.1
57.03433	9.0
57.07074	3.1
65.03933	6.3
67.05505	79.0
69.03426	4.3
69.07068	35.1
69.78507	18.6
71.04992	10.0
79.05061	4.8
79.05495	72.7
81.03422	12.8
81.07054	89.6
83.04967	10.7
83.08627	33.4
85.06535	6.4
91.05479	100.0
93.07043	71.6
95.04965	20.2
95.08607	50.1
97.02922	2.9
97.06538	16.2
97.10159	12.8
99.08077	5.4
103.05482	5.7
105.03375	3.2
105.07034	70.8
107.04963	12.8
107.08594	32.0
109.06521	13.3
109.10136	14.3
111.04485	3.4
111.08071	11.4
115.05443	14.0
116.06226	3.7
117.07015	48.8
119.04961	5.7
119.08578	37.1
121.06535	8.6
121.10137	22.6
123.08062	10.0
125.09675	7.1
128.06226	21.6
129.06999	68.8
131.08572	90.2
133.06522	14.6
133.10117	27.8
135.08076	11.9
135.11688	11.5
137.09575	5.5
139.11165	4.5
141.06984	25.6
141.08994	2.8
142.07774	6.0
143.08551	59.0
145.06511	16.5
145.10127	36.7
147.08051	11.6
147.11703	16.3
148.16963	2.9
149.09612	14.5
149.13246	5.6
151.11121	3.4
153.06982	7.1
154.07779	6.2
155.08542	44.5
156.09282	4.7
157.06491	4.1
157.10121	31.4
159.08095	8.8
159.11693	20.9
161.09642	8.1
161.13223	7.3
163.11218	8.4
165.07050	6.5
165.12743	3.2
166.07716	3.0
167.08536	19.4
169.10115	23.6
171.07993	3.2
171.11702	21.2
173.09660	5.8
173.13248	9.0
175.09691	2.8
175.11188	8.3
177.12769	8.2
179.08568	9.4
181.10095	19.6
183.11705	16.9
185.09689	3.6
185.13229	13.6
187.11136	5.4
187.14981	2.9
193.10161	10.5
193.12198	4.8
195.11702	20.8
197.09656	4.5
197.13255	11.7
199.14853	5.8
201.12764	4.2
203.14322	3.1
205.10236	4.2
207.11665	8.7
207.13795	4.4
208.12466	2.9
209.13251	9.7
211.11333	4.8
211.14827	11.3
213.12773	5.6
215.14336	8.3
221.13301	19.5
223.14879	16.2
225.12836	5.5
225.16281	4.0
227.14537	3.6
229.16051	3.1
235.14828	10.4
239.14316	10.7
241.15848	7.4
249.12488	3.8
249.16510	5.2
253.15958	6.8
257.15350	6.9
267.17407	3.9
269.15411	3.5
271.16855	8.5
285.18579	3.2
289.17877	4.3
307.19000	4.4
315.21136	3.2
323.23706	10.9
333.22183	22.1
341.24640	10.9
351.23190	61.6
369.24222	39.1
383.25876	6.9
387.25153	8.0
401.26923	24.0
443.27838	12.4
461.28748	4.6
475.31046	15.7
493.27628	4.8
493.32608	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	493.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.01873	3.9
55.05508	46.2
57.03431	10.6
65.03933	3.4
67.05499	80.3
69.07069	38.1
69.80677	20.1
71.04994	6.5
73.06529	4.0
79.05486	65.8
81.03421	11.2
81.07050	75.9
83.04982	6.3
83.08609	28.1
83.09030	4.3
85.06554	10.5
91.05476	100.0
93.07042	64.3
95.04945	17.0
95.08601	51.2
97.06535	13.7
97.10182	11.7
102.99345	3.4
103.05500	3.9
105.07029	67.4
105.07684	5.6
107.04956	13.0
107.08598	38.3
108.26939	3.1
109.06504	8.1
109.10153	14.0
109.27226	3.2
111.08080	14.0
115.05463	11.7
117.07013	63.5
119.04889	4.6
119.08578	41.4
121.06495	8.4
121.10132	19.7
123.08092	5.8
123.11741	4.7
125.09662	9.4
127.07594	4.3
128.06219	17.7
129.07002	67.9
130.09056	3.9
131.08571	88.1
132.08913	3.9
133.06470	12.8
133.10123	29.1
135.08078	10.4
135.11714	9.4
137.09662	5.3
139.11128	5.5
141.06990	27.0
142.07768	9.8
143.08556	52.4
144.09465	3.8
144.69653	3.1
145.06474	12.4
145.10080	32.2
147.08043	11.6
147.11685	8.0
147.96260	3.1
149.09596	13.6
153.07133	4.9
154.07718	9.0
155.08559	45.4
157.06512	7.0
157.10144	34.8
159.08028	12.9
159.11661	23.5
161.09671	6.1
163.11192	10.8
165.06998	6.7
166.07683	4.3
167.08575	19.5
168.09361	5.9
169.10112	23.4
171.08055	4.2
171.11766	21.5
173.09634	9.1
173.13284	8.3
175.11174	12.0
177.12735	11.8
179.08620	7.8
181.10101	20.1
183.11606	16.4
185.09616	4.1
185.13252	16.6
187.11223	5.7
187.14781	4.8
189.11153	5.3
189.12808	4.8
193.10178	5.6
193.12183	4.7
195.11682	21.6
197.13290	13.8
199.14888	5.2
203.12703	5.5
207.11658	9.8
209.13283	14.0
211.11295	4.5
211.14986	7.6
213.12859	5.6
213.16377	6.6
215.14395	4.8
221.13220	15.5
223.14835	19.8
225.12781	6.0
225.16417	4.9
227.14507	5.7
235.14777	10.6
237.16678	4.1
239.14333	5.7
243.13783	3.7
247.16974	9.6
253.15845	7.4
257.15347	9.1
271.16840	10.0
285.18353	4.7
315.21094	4.2
323.23682	10.5
333.22174	23.0
341.24701	8.0
351.23138	63.4
352.23560	3.6
369.24219	45.6
383.25922	9.1
387.25461	6.3
401.26920	37.8
418.01947	3.8
443.27960	8.0
461.28979	5.8
475.31171	16.5
493.31720	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2807
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05510	4.4
57.05820	0.7
66.62933	0.3
67.05494	0.8
69.07075	0.4
70.43570	0.9
72.08152	47.5
79.05495	0.9
81.07044	0.9
83.08609	0.5
91.05476	1.9
93.07035	1.2
95.04975	0.4
95.08585	0.4
103.05464	2.7
105.07035	0.8
107.08613	0.5
117.06967	0.4
118.06584	0.4
120.08100	100.0
121.08382	0.8
121.15382	0.3
123.19756	0.3
129.06944	0.3
145.06546	0.3
145.10129	0.5
147.41823	0.3
157.10204	0.3
166.87132	0.3
168.06154	0.3
171.14917	6.6
173.11067	0.3
174.12784	3.0
199.14407	6.1
219.14923	15.6
220.15059	0.4
222.12724	0.6
247.14409	20.9
248.14601	0.3
264.90338	0.3
267.14923	8.4
273.19525	1.3
295.14410	11.8
301.19098	2.7
321.19547	0.8
346.21332	5.0
349.18988	2.3
352.47388	0.3
369.24091	1.1
394.21268	3.2
401.26620	0.6
465.28549	0.5
475.30771	0.4
493.27255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.1
57.03433	7.5
67.01887	5.4
69.77252	12.2
69.77663	21.0
85.02911	31.7
93.03329	6.2
97.02905	8.5
109.02872	10.2
119.81678	5.0
121.02864	22.7
122.06007	8.6
123.04408	10.4
124.07619	5.8
140.07051	18.1
145.06537	5.1
146.06006	14.4
147.04387	14.9
151.03896	8.9
157.06479	7.5
159.04445	9.5
161.06085	12.3
163.03928	9.2
165.05507	6.7
171.04413	19.3
172.03879	6.3
173.05965	9.5
175.03909	31.3
177.05492	22.6
181.04906	17.9
185.05962	10.8
187.03911	24.4
189.05478	19.2
190.04967	26.5
192.06517	7.3
193.04974	43.8
199.03943	12.8
201.05565	12.6
203.07045	13.0
205.04932	50.2
211.05960	9.7
213.05507	12.6
215.07140	5.3
217.04990	47.4
219.02852	13.0
219.06456	21.0
221.04411	19.2
222.98766	5.7
223.05997	41.0
225.05399	8.4
227.07045	8.5
229.04904	20.0
231.06509	36.1
235.05981	46.3
237.05479	9.2
241.04967	14.8
243.06499	22.5
245.08156	12.6
247.05980	89.8
250.87511	6.1
253.04849	12.0
255.06488	9.5
257.08170	7.8
259.06006	86.9
271.03317	6.1
271.06012	31.7
273.07553	15.5
277.07022	51.7
283.05923	22.2
285.07666	15.8
287.09653	7.0
289.07071	100.0
297.07480	9.1
301.04041	6.4
301.07111	75.6
307.08109	26.5
310.41129	6.6
313.06979	52.2
319.08139	22.3
325.06555	17.3
325.09158	52.2
331.07971	10.8
331.12863	7.9
337.09262	29.7
343.08026	47.0
355.08237	17.5
361.09036	30.0
367.07986	10.4
373.09097	29.0
379.10315	15.3
385.09177	18.1
391.10251	37.8
403.10080	23.2
421.11249	18.2
439.12128	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.7
57.03436	7.7
59.67489	3.5
60.04513	4.0
67.05485	6.7
69.03432	18.8
69.07064	10.2
70.12360	13.6
71.05000	8.7
74.10918	3.8
79.05481	9.7
81.03416	11.3
81.07039	14.1
83.04954	5.5
83.08627	9.6
85.02900	26.7
86.09698	14.2
87.00819	15.3
88.35028	3.7
91.05475	12.6
93.07025	10.2
95.04974	19.5
95.08605	12.2
97.02890	13.1
97.06524	14.7
99.04447	6.3
99.08089	9.1
105.01843	14.7
105.07014	24.6
107.08588	22.9
109.02865	8.4
109.06528	38.2
109.10152	14.3
110.07198	8.0
111.08104	4.2
111.19434	3.8
115.07581	9.7
116.73208	4.0
119.08575	17.0
121.10160	27.9
123.08065	13.4
123.11710	5.9
127.03889	19.1
131.08571	15.0
133.10130	77.7
135.08070	10.4
135.11734	6.2
137.05974	5.0
137.09695	4.7
145.04968	6.6
145.10120	9.2
147.11688	35.8
149.13222	6.3
153.09114	10.8
156.16158	3.6
157.07826	4.1
165.09076	8.4
165.12782	14.3
167.07112	4.6
171.10112	6.0
173.13255	42.9
175.14775	4.6
177.05368	4.7
191.14293	73.4
209.15375	100.0
227.16414	96.1
231.04993	5.3
310.11798	4.4
492.16687	4.3
492.30695	5.1
493.26120	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	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
53.34669	2.5
54.62453	3.1
55.01877	5.0
55.05503	10.9
57.03424	5.7
60.04520	3.0
67.05497	6.0
69.03438	17.9
69.07058	8.8
70.69241	4.7
70.88151	2.4
75.22752	2.7
79.05497	8.8
81.03427	13.0
81.07049	15.7
83.08619	10.9
85.02901	39.0
86.09687	5.1
87.00832	17.5
91.05480	9.7
93.07042	12.3
95.04967	25.6
95.08588	10.4
97.02876	9.4
97.06548	24.3
99.04477	13.0
103.59315	3.0
105.01878	20.1
105.07030	21.0
107.08591	17.0
109.02877	10.1
109.06522	36.3
109.10167	13.5
116.38859	2.9
119.08600	13.9
121.10136	22.8
123.08049	12.6
123.11727	5.7
124.09180	2.8
127.03912	24.6
131.08588	7.3
133.10129	33.4
135.08061	6.5
135.11688	2.9
139.11157	5.0
145.04945	8.5
147.11699	37.9
149.13206	3.6
151.11145	4.9
153.09073	17.3
158.10957	3.7
159.02930	3.6
163.14925	6.6
165.09079	6.7
165.12764	14.9
173.13252	14.6
191.14302	34.7
209.15369	100.0
227.16435	64.7
231.04980	3.4
284.06363	5.0
287.91788	2.8
307.80817	3.0
338.60428	3.4
427.70538	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	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	15.9
58.58626	1.5
59.05001	3.6
60.04524	3.1
69.03430	47.2
69.03807	2.2
70.00966	1.5
70.06588	2.5
70.14687	7.9
75.04488	2.8
81.03432	2.2
85.02905	33.6
87.04475	35.5
91.03989	2.7
91.05463	2.0
94.13619	1.7
94.99183	1.6
97.02896	42.4
103.05456	4.2
107.04956	31.2
108.26207	1.7
109.02907	3.3
115.03927	45.0
117.07026	3.8
121.06490	7.8
127.03905	4.9
131.04950	4.7
133.04970	44.2
135.08072	6.5
139.03909	2.4
145.04973	4.6
145.06483	23.7
148.05208	6.4
149.05925	8.8
150.07629	10.6
154.04993	8.0
162.06696	4.1
163.07520	12.4
177.09102	37.1
181.08591	100.0
182.08994	2.3
186.02208	7.8
191.07047	2.7
201.93973	1.7
203.99889	2.1
205.08566	12.3
217.08540	1.9
223.09610	9.7
247.09717	3.1
259.09641	5.1
272.06314	2.7
277.10864	3.2
330.92010	1.8
430.64487	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31820	1.7
53.03954	1.9
57.03433	6.9
57.34083	2.0
59.05019	2.7
60.40409	1.7
69.03428	27.0
69.85693	10.8
70.06583	3.2
81.03411	4.2
84.88007	1.8
84.91791	1.8
85.02911	23.9
86.09737	2.1
87.04458	13.2
94.56449	1.8
95.04984	2.9
97.02892	17.9
99.04444	2.2
103.05467	31.6
107.04943	8.7
109.02889	3.9
110.06049	2.4
115.03932	19.5
115.26580	1.8
117.07081	2.1
118.09679	2.2
119.05028	2.2
121.97587	2.2
122.06034	2.1
123.04431	2.4
127.03918	6.5
131.04930	100.0
133.01640	2.0
133.02797	2.8
133.04950	16.6
135.04483	2.7
137.05977	2.5
138.05537	2.2
139.03964	4.0
145.04982	2.5
145.06467	4.2
147.04391	3.3
148.07608	2.2
149.05971	2.0
150.07687	4.1
154.04982	4.5
161.05965	2.6
163.03954	9.0
163.07545	49.1
177.05446	3.0
177.09134	3.5
181.08636	12.4
193.04980	2.1
205.08665	2.3
223.06136	2.6
243.06573	3.1
271.06003	3.4
272.06500	4.8
289.07028	3.9
299.05591	4.0
300.05707	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	491.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01863	1.4
55.05511	14.2
55.97804	1.1
57.03438	2.9
57.07071	3.3
59.04993	2.6
61.30435	1.0
65.03925	3.3
66.26253	1.1
67.05502	100.0
69.07066	11.5
70.80515	1.0
71.04996	2.7
79.05493	16.5
81.07051	48.0
83.05016	1.7
83.08619	9.5
85.06548	2.5
85.10150	1.0
91.05474	14.0
93.07043	18.4
95.04967	2.3
95.08606	32.1
96.04499	1.0
97.06534	2.3
97.10176	2.4
98.20672	1.4
105.07050	7.0
107.08586	10.9
109.06511	1.9
109.10147	52.0
111.08057	3.5
117.06995	2.1
119.08570	10.3
121.10146	9.9
123.08028	1.4
123.11684	5.3
125.09658	1.2
131.08583	3.2
133.10117	7.0
134.67267	1.0
135.07996	1.1
135.11671	5.1
137.09634	2.7
137.13255	2.4
139.11115	1.1
145.10121	3.2
147.11678	4.4
149.09712	1.2
149.13257	3.0
151.14911	1.2
155.10680	2.7
159.11690	2.2
161.13214	2.6
162.95998	1.0
163.14790	2.0
173.11748	13.3
173.13203	2.6
175.14877	3.1
177.95255	1.1
229.14308	1.5
229.38042	1.3
245.22577	1.2
263.23679	3.5
287.23499	1.3
381.31415	1.2
399.32727	6.2
417.33365	2.3
445.25800	1.1
473.36496	5.2
491.29892	11.0
491.37204	43.4
492.37585	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05510	24.4
57.03429	4.7
57.07069	4.7
58.47324	2.0
59.05006	4.1
64.68420	2.1
65.03928	5.1
67.05502	100.0
69.03446	2.7
69.07067	19.1
69.89558	12.5
71.04988	3.7
71.43923	1.9
79.05490	21.9
80.33153	1.9
81.07057	64.0
83.04985	2.5
83.08601	13.8
89.26533	2.0
91.05492	17.9
93.07043	35.5
95.08606	46.4
97.10179	3.8
98.20726	3.0
105.07021	25.6
107.08589	15.6
109.10152	55.9
109.42581	1.9
111.08096	3.9
117.07037	5.4
119.08568	20.7
121.10121	17.9
123.11684	9.7
125.09591	2.7
131.08569	9.6
133.10117	12.5
135.11700	6.6
137.09671	2.2
139.61403	2.1
143.08467	2.5
145.10130	8.2
147.11681	6.3
149.13240	4.2
159.11694	7.5
161.13225	4.3
163.14809	5.6
171.11740	3.2
173.11751	10.7
173.13193	4.8
175.14828	3.0
185.13280	3.2
201.16452	2.7
216.62114	2.4
239.31364	2.7
245.22658	3.4
247.52310	2.1
263.23801	4.3
266.19635	2.4
272.47675	2.4
381.31775	3.9
393.30188	2.7
399.32431	13.1
417.33514	4.2
473.36432	15.7
491.29837	48.4
491.37250	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
54.19283	0.7
55.01870	1.3
55.05260	1.2
55.05510	15.3
57.03436	3.4
57.07077	3.5
59.05003	3.6
59.79045	0.7
60.44808	0.8
65.00410	0.7
65.03930	4.0
67.05502	100.0
68.05810	0.9
69.07063	13.1
69.92616	3.0
69.93029	1.7
71.04989	2.3
71.08646	1.3
79.05491	15.7
81.07053	49.1
83.04978	1.1
83.08612	8.4
84.63087	0.7
85.06532	2.4
91.05476	14.3
93.07046	16.5
95.04975	2.0
95.08604	33.1
97.06527	2.2
97.10164	3.3
98.21398	1.0
99.08069	1.0
105.07031	8.8
107.08576	11.7
109.10152	54.7
111.08051	3.5
111.11701	0.8
113.09588	0.9
117.07030	1.9
119.08562	10.6
121.10149	8.6
123.11720	5.2
125.09595	1.0
129.06960	0.8
131.08571	3.8
133.10110	5.7
135.11674	3.9
137.09618	2.8
137.13234	2.3
143.08495	1.3
145.10091	3.9
147.11711	4.7
149.13240	2.2
151.14896	1.0
155.10680	2.3
157.10078	1.7
159.11710	2.5
161.13248	3.1
163.14845	1.9
171.11664	1.0
173.11758	13.0
173.13165	1.3
175.14851	2.2
185.13336	1.5
187.14850	0.9
189.16397	1.0
199.14745	1.1
203.17976	1.0
217.34911	0.8
229.14316	1.3
245.22668	1.0
263.23691	2.8
269.22833	0.7
301.25098	1.0
319.26169	0.8
379.28476	1.0
381.31360	1.2
399.32639	5.2
417.33594	1.2
421.08566	0.8
433.18988	0.8
434.02130	0.8
451.94482	0.7
473.36270	6.3
491.30038	6.0
491.37213	49.5
492.37640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.05509	19.1
56.61095	1.0
57.03413	4.7
57.07050	3.5
59.04984	2.7
65.03948	3.1
67.05502	100.0
69.07066	14.6
70.03510	6.0
71.04991	2.4
71.08606	1.6
79.05067	2.0
79.05492	26.4
81.07054	60.3
83.04963	1.5
83.08614	10.9
85.06515	3.2
91.04972	1.9
91.05481	23.4
93.07042	26.1
95.04947	3.4
95.08601	42.6
97.06510	2.1
97.10168	2.4
99.08074	2.2
105.07039	15.2
107.08598	18.0
109.06493	2.4
109.10152	43.9
111.08066	3.3
113.09718	1.4
117.07041	3.3
119.08566	13.8
121.10132	12.8
122.70644	1.2
123.11706	5.5
125.09611	2.0
129.07004	2.1
131.08530	7.2
133.10133	11.3
135.11667	6.2
137.09581	2.3
137.13229	1.9
139.06941	1.1
139.11215	1.3
143.08498	2.0
145.10103	7.3
147.11679	6.8
149.13216	3.5
149.14386	1.2
155.10576	2.1
157.10127	2.3
159.11707	3.4
161.13248	2.6
171.11684	3.1
173.11740	8.2
173.13184	2.6
185.13187	1.7
187.14728	1.7
189.16364	3.0
191.17903	1.4
201.16238	1.5
237.19423	1.1
257.22528	1.7
263.23587	2.3
265.25400	1.1
289.58435	1.3
301.25034	1.4
304.67062	1.2
308.05817	1.2
381.31329	2.2
399.32431	7.3
417.33398	2.9
461.70901	1.3
473.36108	8.5
477.17990	1.2
491.29965	7.0
491.37222	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.1
57.07067	7.0
67.05510	34.3
69.03425	6.7
69.07077	25.1
70.55502	6.6
70.55897	7.6
71.87130	3.8
79.05489	17.8
81.07061	27.1
83.04976	6.1
83.08598	6.0
85.06554	5.4
90.97666	3.8
91.05487	37.9
93.07043	54.5
95.04966	13.2
95.08622	33.9
97.06526	7.8
105.07034	47.4
107.08601	43.6
107.47034	3.1
109.06500	8.0
109.10151	28.6
110.78219	3.2
111.08056	5.1
117.07042	8.9
119.08585	65.5
121.10147	54.9
123.08060	8.2
123.11710	4.6
125.09582	3.7
129.06917	4.1
130.07755	4.5
131.08568	26.8
133.06566	5.1
133.10130	42.5
135.08066	6.1
135.11679	11.5
137.09630	7.1
139.11217	5.3
140.31572	3.1
141.06972	4.7
142.07803	11.4
143.08528	24.4
144.09377	5.1
145.10143	31.4
147.11691	14.5
149.09612	12.7
149.13222	4.0
154.06252	3.2
155.08583	12.1
155.10634	5.8
156.09369	11.0
157.10147	31.6
159.08054	7.6
159.11728	18.8
161.09514	5.1
161.13187	5.4
163.11229	4.5
165.09149	5.7
167.08603	6.8
167.10689	73.7
169.10144	15.6
170.10841	5.4
171.11713	28.9
173.09659	6.6
173.13316	21.1
175.11234	5.3
175.14870	20.4
179.08466	6.7
181.10103	9.9
181.12108	4.2
182.10910	5.2
183.11679	30.3
184.12379	4.0
185.13257	11.6
187.14835	14.1
189.12744	11.4
191.14351	6.9
193.10173	9.1
194.10838	6.8
195.11751	10.1
197.13275	14.3
199.14824	7.3
207.11789	7.9
209.13235	17.9
211.14830	7.9
213.12845	4.1
215.14342	5.3
219.11606	5.0
221.13271	11.1
221.15297	6.7
223.14882	8.1
225.16327	4.5
227.14403	4.2
227.17905	3.7
233.13278	5.8
233.15338	22.3
235.14868	9.8
237.16644	4.5
239.17802	5.2
249.16362	7.0
251.17767	5.8
257.18979	27.2
261.16254	4.2
265.19489	6.3
271.20538	5.7
273.18625	16.6
283.20566	6.2
285.18585	7.5
291.21075	5.2
299.20151	4.7
309.21857	5.0
311.23535	4.6
427.48102	3.9
473.34006	15.3
491.35641	100.0
492.35703	5.7
509.49628	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	491.3
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03945	7.0
54.58078	4.5
55.01862	8.7
55.05506	66.5
57.03428	13.1
67.05502	70.2
69.03413	7.4
69.07071	24.5
69.15872	4.1
71.58816	5.1
79.05498	68.3
79.64770	4.5
81.03417	41.3
81.07053	68.8
83.04985	10.9
83.08618	36.1
91.05482	100.0
93.07051	51.8
95.04984	26.4
95.08604	32.4
95.46194	5.6
97.10186	38.3
99.08070	6.6
103.05440	5.3
105.07049	56.8
107.04950	18.2
107.08580	34.2
109.06504	6.1
109.10169	20.2
111.04400	5.9
111.08081	9.1
117.07011	27.5
119.04871	5.5
119.08607	29.7
121.06535	6.1
121.10135	8.2
123.08088	7.2
123.11707	16.6
125.09634	35.2
128.06219	8.2
129.06999	21.6
131.08553	37.4
133.06540	6.4
133.10130	23.1
135.04276	5.2
135.08061	13.3
135.11697	6.4
137.05975	6.5
141.07016	6.2
143.08559	22.3
145.06491	11.1
145.10143	21.0
147.11679	22.9
149.09654	11.6
153.09102	6.5
157.10162	14.6
159.11678	7.2
163.11198	5.0
165.09085	11.5
171.08067	8.7
171.11668	15.9
173.13231	6.1
181.10164	6.7
183.08047	5.5
185.13261	7.4
187.13310	8.2
189.11217	13.2
189.12808	6.5
193.12166	10.7
207.13786	14.1
215.14307	12.5
219.13622	5.0
223.11024	5.4
227.12651	10.2
243.15791	7.3
249.14821	9.7
267.15912	18.6
281.17404	22.9
305.17328	7.5
317.20935	7.1
359.32895	5.0
363.23392	7.0
367.22614	8.8
381.24225	8.3
385.23672	9.1
399.25317	17.4
455.28464	7.0
473.23291	5.3
473.29187	63.2
491.22525	28.4
491.29733	25.1
501.47690	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	491.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90480	11.4
53.03933	18.1
53.19960	10.5
55.05516	69.2
57.03430	18.6
59.26617	12.1
59.34622	10.8
59.76904	12.3
63.22923	11.2
67.05509	69.2
69.03424	15.1
69.07056	42.3
69.07420	13.6
69.37254	28.6
69.37677	91.1
71.04990	33.4
79.05495	89.3
81.03387	39.4
81.07069	100.0
83.04961	13.3
83.08616	30.3
91.05488	64.2
91.44547	12.3
93.07042	84.6
95.04988	33.0
95.08622	47.0
97.02899	12.5
97.06507	16.1
97.10173	40.5
103.12645	11.9
105.07040	43.5
107.04965	61.4
107.08599	46.0
109.02867	12.9
109.06536	22.5
109.10135	29.9
117.07004	26.0
119.08595	34.6
121.06505	42.9
121.10144	33.9
125.09630	40.2
129.06967	22.9
131.08551	45.0
133.06577	12.2
133.10098	14.2
135.08075	19.3
143.08578	17.7
145.06467	21.6
145.10129	20.9
147.07976	19.8
148.75774	11.5
149.09657	17.2
155.08521	20.5
157.10178	15.2
171.11772	15.8
187.88731	15.6
189.11255	26.9
192.53484	12.7
217.90997	12.7
219.13773	19.8
349.21652	24.4
367.22653	27.5
385.23651	48.5
403.25018	23.4
459.27509	82.3
491.30673	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2996
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
67.05495	7.0
70.64186	7.1
78.77132	1.8
81.07064	3.1
95.08602	3.7
104.53159	1.8
109.10147	4.1
146.53050	2.0
149.51216	2.0
165.21046	1.8
168.76648	1.7
192.28258	1.9
491.29999	100.0
491.36716	3.7
492.30222	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	491.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.7
55.01881	20.0
55.05513	100.0
57.03428	8.4
65.03940	3.4
66.58234	2.7
67.05505	69.2
69.03426	13.2
69.07065	22.5
71.05006	15.3
71.05315	2.6
71.58722	2.5
71.59094	4.6
73.02954	3.0
79.05498	67.2
81.03426	21.5
81.07056	62.3
83.05015	15.2
83.08620	44.0
85.06549	8.2
87.04460	3.4
89.49615	3.2
91.05481	51.3
93.07043	64.5
95.04974	34.0
95.08612	35.9
97.02898	6.0
97.06547	5.4
97.09541	4.9
97.10175	93.5
101.06071	3.1
103.05462	5.0
105.07025	31.2
106.51645	2.9
107.04946	54.2
107.08595	52.1
109.02877	9.5
109.06516	26.1
109.10174	19.3
111.04429	4.4
111.08096	8.7
115.05453	6.4
117.07029	25.1
119.04984	3.9
119.08601	25.8
121.02863	7.0
121.06524	43.0
121.10152	23.0
123.04412	6.0
123.08076	9.4
123.11726	8.1
125.09639	81.7
128.06233	3.8
129.07008	12.7
131.04951	10.8
131.08549	29.3
133.06467	9.9
133.10104	18.2
135.08058	18.6
135.11667	15.7
137.05948	8.8
137.09660	9.8
141.06990	4.4
143.08566	11.0
143.10712	5.7
145.06491	11.4
145.10118	20.6
147.04419	6.3
147.08072	9.0
147.11659	9.0
149.02361	6.4
149.05966	3.2
149.09624	8.8
151.03949	4.5
151.11165	3.5
151.88773	2.8
153.05489	3.5
153.09167	8.1
155.08557	5.9
157.10167	8.6
158.87457	3.2
159.08047	8.0
159.11674	8.2
161.05951	6.3
161.09608	10.5
163.03897	3.2
163.11198	21.1
165.09114	54.3
167.10645	5.9
169.10167	4.2
171.08136	5.0
171.10202	5.6
171.11661	4.6
173.09660	6.4
173.13251	14.5
175.11194	6.9
177.05653	4.3
181.12375	3.1
185.09615	5.1
187.11255	4.0
189.09103	10.4
189.11203	65.7
189.12730	3.8
191.14313	16.4
193.04909	4.4
193.12213	11.5
199.13380	5.1
201.12735	5.0
203.10661	4.4
205.12213	4.5
205.44287	3.2
209.11736	3.3
217.12198	4.2
219.13806	80.7
221.11787	3.5
225.11101	5.6
227.12750	51.4
229.12195	3.8
233.53735	3.3
237.12714	3.4
237.14861	3.2
247.13330	5.2
249.14915	3.5
255.13673	3.0
259.13492	4.3
263.12833	15.0
265.14529	4.9
271.16803	3.5
273.14877	7.2
275.16464	4.8
281.13589	5.8
301.17877	4.6
311.28317	2.8
339.23154	4.1
349.21619	8.0
353.21161	4.8
367.22672	13.8
371.22083	8.5
381.20322	6.9
385.23572	15.4
389.23114	13.4
399.21533	11.1
403.25012	4.1
407.24292	3.4
445.25613	17.3
447.27280	5.0
459.27472	23.9
463.26910	13.6
473.25339	13.2
491.26431	67.5
491.31705	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	490.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.2
58.17057	3.3
63.40532	3.6
67.05519	5.4
69.03438	23.1
69.07048	8.0
70.06579	16.0
71.04987	12.6
71.51015	8.2
72.01123	3.9
72.08153	5.4
74.45673	3.5
79.05491	11.7
81.07075	6.1
84.08135	7.7
85.02891	23.5
85.49965	3.1
86.09696	6.3
91.05500	12.2
93.07050	6.7
95.04958	10.0
95.08591	3.7
97.02888	16.3
97.06520	5.9
99.04436	6.3
105.07031	6.7
107.04963	15.9
107.08595	6.6
109.02881	7.9
109.06531	6.5
109.10216	7.0
116.48734	3.5
117.07015	3.8
119.04973	6.6
119.08577	8.2
121.02885	5.4
121.06503	5.2
121.10140	8.7
123.04423	8.1
123.08107	5.6
123.11716	4.7
125.05997	11.1
125.09618	5.5
127.03942	7.7
131.08595	4.3
133.04999	8.7
133.10101	4.7
133.52345	4.3
135.04434	7.8
137.05972	32.5
143.08545	8.0
143.10698	11.8
145.04977	4.4
145.06502	3.9
147.04425	13.3
147.07944	4.1
148.02158	9.6
149.05966	7.7
151.03976	3.8
151.07516	8.1
151.11201	8.5
153.05476	68.4
159.08006	4.4
161.09633	14.7
166.03218	12.0
171.08034	13.3
174.06790	8.0
176.04597	6.0
177.05508	5.8
177.09203	8.8
178.05228	4.3
187.07518	9.0
187.11198	8.4
189.09111	31.5
189.12827	5.0
193.08537	4.3
197.07971	3.8
205.12277	18.8
223.11520	5.8
243.06627	5.0
257.15381	18.6
271.06143	6.1
275.16437	100.0
293.17499	13.4
299.05569	12.8
310.14633	4.4
408.15796	3.4
490.10294	15.8
490.21664	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	490.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24990	0.5
55.52986	0.4
56.05045	0.5
57.03427	0.4
61.02923	1.1
69.03435	3.7
69.69071	2.1
70.06618	0.4
73.02930	0.5
80.05010	0.8
81.03402	0.9
83.06104	14.4
85.02899	6.0
86.86667	0.4
87.04478	1.0
91.03972	0.6
91.05484	0.6
93.28471	0.4
95.06053	0.5
97.02887	2.7
97.07639	1.4
98.06059	1.5
98.20841	0.8
106.30676	0.5
109.02869	1.0
111.05564	48.4
111.09193	4.0
112.06380	3.5
125.07117	18.9
125.08038	0.8
127.03899	1.2
130.06531	1.5
139.08664	15.4
140.09444	79.8
141.09818	0.9
145.04974	0.5
157.08859	0.7
167.07063	0.7
172.11227	1.6
179.42673	0.4
279.91190	0.4
280.18130	0.8
292.18051	0.7
310.19067	4.1
328.20187	100.0
329.20477	4.1
490.18481	0.4
490.25525	7.1
493.23206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47226	2.5
51.10387	3.2
53.03925	2.6
57.14505	2.5
58.33361	2.6
61.02902	2.5
64.18941	2.8
65.03954	3.3
67.05482	2.6
69.03410	8.6
70.88451	6.6
76.97818	2.5
79.05501	4.1
81.03411	7.3
81.07037	10.7
84.04485	3.3
84.08125	2.9
85.02908	31.1
86.09709	3.0
87.04447	3.2
91.05472	6.7
95.04993	3.2
95.08635	3.3
97.02866	4.0
98.27411	2.8
105.01853	3.8
105.07028	17.0
107.08574	7.6
109.02876	5.4
109.06551	2.8
110.06059	5.4
119.08569	15.9
121.02932	3.2
123.11727	24.3
127.03935	6.7
128.03415	3.5
130.06448	3.1
131.08569	3.1
133.06448	8.4
134.04388	2.7
145.10138	22.7
147.04459	3.6
147.11691	30.6
156.09378	5.5
171.11668	6.4
189.12752	100.0
195.11411	3.2
196.11536	3.1
207.13832	34.4
214.06937	4.1
215.07359	9.7
225.14839	8.4
242.08876	3.3
315.08633	3.7
380.64584	2.9
476.74493	3.3
490.16187	3.3
519.74304	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63586	2.5
53.03946	7.4
55.05514	22.3
57.03431	6.9
57.07082	3.5
65.01163	2.8
65.03928	3.5
66.68923	2.7
67.05506	85.7
69.07076	24.0
70.08537	13.8
71.04990	4.7
71.08660	3.1
79.05496	37.2
81.07058	49.1
83.04977	3.2
83.08630	13.4
85.06547	3.1
87.80318	2.7
91.05479	33.0
93.07046	42.7
95.04978	6.2
95.08613	37.0
97.06541	5.5
97.10195	8.2
98.21510	3.2
105.07020	33.4
105.07591	3.1
107.08591	25.9
109.10157	51.3
111.08100	4.6
117.07034	11.5
119.08585	38.5
121.10146	22.9
123.11737	6.0
129.07005	4.4
131.08569	23.0
133.10143	22.1
135.11702	9.8
139.11147	2.7
141.06862	3.0
142.07671	3.2
143.08591	8.5
145.10144	24.3
147.11720	19.7
149.13258	4.6
155.08621	4.6
157.10158	6.6
159.11688	17.4
161.13292	11.8
163.14816	4.5
169.10133	4.7
171.11690	13.4
173.11749	11.8
173.13295	15.0
181.99458	3.2
183.11713	6.6
185.13295	5.4
187.14842	9.8
197.13362	4.5
199.14908	6.2
211.14958	3.9
239.17970	3.5
243.17102	3.9
285.22134	4.8
346.54553	2.8
379.29984	12.8
397.31183	16.7
415.32175	4.5
471.34674	14.1
489.29321	3.3
489.35794	100.0
490.36215	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	489.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01874	2.3
55.05510	25.4
57.03438	3.3
57.07064	3.4
59.05005	3.5
60.84327	1.5
65.03939	4.7
65.87814	1.2
67.05505	100.0
68.05827	1.9
69.03423	2.4
69.07069	17.2
71.04991	3.9
71.33089	3.2
71.33420	1.8
79.05495	39.4
81.07057	47.3
83.04958	1.5
83.08617	11.4
85.06558	4.6
91.05480	35.3
93.07041	41.5
94.07400	1.6
95.04977	7.3
95.08604	30.3
97.06526	4.8
97.10176	6.1
105.06378	2.7
105.07029	28.2
107.08597	20.2
109.06535	2.3
109.10156	54.0
111.08100	4.8
116.06233	1.6
117.07025	10.2
119.08585	29.5
121.10129	17.6
123.11723	4.1
125.09633	3.2
128.06247	1.5
129.07005	6.1
131.08575	18.7
133.10121	20.7
135.11699	11.1
137.09628	3.8
139.11122	2.1
143.08588	6.1
145.10118	16.9
147.11682	15.5
149.13298	5.3
155.08542	3.6
155.10689	1.5
157.10139	8.3
159.11678	13.0
161.13254	6.4
163.14822	1.9
169.10129	4.2
171.11676	7.9
173.11732	12.4
173.13304	7.6
175.14809	3.4
177.12706	1.4
183.11699	5.0
185.13281	5.1
187.14859	4.7
193.10562	1.4
197.13278	1.7
199.14821	2.6
201.16475	2.4
211.14841	2.0
213.16429	2.6
225.16335	1.7
253.19606	2.4
259.20618	2.1
261.22247	3.2
271.20529	2.0
289.21594	2.4
299.23810	2.0
317.24649	1.8
377.26807	2.9
379.29922	9.7
391.28427	1.7
397.30981	14.0
407.11612	1.8
415.31885	5.0
433.33176	2.0
471.34848	10.0
474.24643	1.4
489.28564	5.8
489.35745	78.0
490.36203	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	489.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76770	0.4
53.03937	0.6
54.98709	0.4
55.01867	0.8
55.05511	1.9
55.59026	0.4
57.03416	0.5
57.07051	0.6
65.03918	0.5
67.05506	8.0
69.03442	2.0
69.07047	1.8
70.19594	1.5
70.20017	0.6
71.04974	0.6
72.91304	0.4
76.02231	0.8
78.01802	1.4
79.05489	2.3
81.03406	1.2
81.07059	6.3
83.04980	0.9
83.08619	0.7
84.04500	0.6
85.02908	1.3
85.06551	1.9
87.04499	0.5
91.05453	2.0
93.07044	3.4
95.04951	1.6
95.08607	14.9
96.35725	0.4
97.02850	0.5
97.06528	1.0
97.10120	0.5
97.14139	0.4
99.04441	1.2
105.07028	1.8
107.04919	1.2
107.08578	2.9
109.02869	0.4
109.06523	1.0
109.10159	10.9
111.04459	0.7
111.08101	1.1
112.22885	0.4
113.06021	1.9
113.09649	0.8
119.04987	0.6
119.08588	5.0
121.10152	1.9
122.07289	2.1
123.04428	0.9
123.08083	2.8
123.11681	2.5
125.05953	0.4
125.09624	0.7
127.03945	0.6
129.07053	0.4
129.09119	0.9
131.04913	0.6
133.02847	0.5
133.10141	1.1
135.04515	0.4
135.08028	0.5
135.11693	0.8
137.05992	1.4
137.09613	13.5
139.07544	0.7
141.09105	3.4
143.08548	0.4
145.10165	1.0
147.08064	0.5
147.11685	0.9
149.09627	3.2
149.13298	0.5
151.07556	3.3
151.11119	0.7
152.15152	0.4
153.09164	0.4
155.10645	1.0
157.08607	0.5
159.11700	0.8
161.09590	0.6
163.03874	0.5
163.11087	0.5
164.01727	0.8
165.09114	100.0
166.09464	1.0
167.07057	2.2
169.08739	0.8
173.13174	0.4
175.07617	0.5
175.11198	1.1
177.05513	0.7
177.09039	0.9
177.12776	0.4
179.10675	0.8
180.14684	0.5
181.04689	1.3
182.04791	0.4
187.07573	0.4
187.09636	2.3
187.11180	0.7
187.13309	0.5
189.09129	0.8
189.12785	1.0
191.10667	0.9
201.11086	0.5
203.10689	3.1
203.14415	0.7
203.17761	0.6
205.12239	4.6
207.10135	0.7
213.12840	0.5
227.14316	0.5
229.12378	0.5
241.08577	1.0
245.15207	0.4
291.23172	0.8
307.22961	0.5
325.23737	0.8
337.23669	1.9
425.30380	0.6
443.31686	1.0
471.30942	0.8
489.18259	1.3
489.31894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.01881	9.0
55.05503	27.4
55.75919	5.9
57.03433	35.0
57.07073	100.0
67.05502	81.2
67.56097	6.1
69.03412	17.1
69.07064	31.9
71.01349	42.6
71.08629	88.7
71.59506	9.1
71.59869	6.5
73.02915	53.7
79.05470	20.0
81.07054	88.6
83.01318	8.5
83.08622	48.0
84.19462	5.3
85.02431	7.5
85.02908	98.2
85.10172	39.9
91.05470	14.8
93.07028	26.3
95.01326	19.8
95.04951	9.6
95.08607	93.3
97.02881	36.5
97.10170	23.4
99.00819	13.1
101.02390	15.7
103.03954	14.3
105.07058	13.0
107.08574	16.9
109.10153	65.2
109.37956	5.8
111.08038	5.8
113.02372	38.5
117.07028	8.7
119.08556	27.6
121.10168	14.4
122.09271	6.2
123.11679	30.2
125.13298	8.7
131.03410	30.7
131.08592	7.9
133.10133	16.2
141.01823	42.5
145.10095	13.7
147.11609	9.6
149.13358	6.3
159.02875	11.2
161.13184	7.7
168.79926	5.9
169.05008	14.4
197.04453	10.2
215.05353	14.3
239.23668	70.5
313.27396	96.6
355.28275	6.7
394.75430	5.9
412.61237	6.1
453.28357	8.0
489.29666	15.0
489.36771	45.3
513.73969	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	489.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.3
61.44159	6.9
63.06622	6.0
65.58202	7.1
67.05496	28.5
69.07062	13.0
71.43652	5.7
71.59313	9.6
75.29355	5.8
76.05979	6.5
76.76781	5.6
78.75556	5.5
79.05474	15.0
81.07059	26.0
84.70927	6.0
85.02835	6.4
91.05485	19.0
93.07033	17.1
95.08591	13.4
100.31965	6.1
105.07046	16.3
107.08574	14.3
109.10152	20.7
119.08635	12.3
121.10149	8.9
123.08092	6.9
130.55765	5.8
131.08583	15.3
145.10112	6.9
185.95258	8.1
308.87909	6.9
369.59982	7.5
471.34445	9.5
489.26938	100.0
489.35345	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60540	0.7
55.01861	1.2
56.96556	0.9
57.03438	4.7
59.05000	100.0
61.02922	1.0
66.92650	0.8
67.05518	1.2
69.03436	4.0
69.07060	1.1
69.46668	2.5
69.47089	4.5
70.06570	2.3
72.08140	0.8
79.05496	1.2
81.03403	2.6
81.07030	1.4
82.49762	0.8
84.04440	0.8
84.08130	1.1
85.02895	6.6
86.09704	1.3
87.04470	0.8
89.00419	0.8
89.03922	1.4
91.05467	2.1
93.07022	2.1
97.02889	2.8
97.45179	0.8
99.04496	0.9
99.08076	1.5
101.09634	1.2
105.07026	1.2
107.04950	1.0
107.08511	0.8
109.02846	1.1
115.07574	1.4
117.03378	1.7
117.09135	37.6
119.08591	1.5
122.48101	0.8
123.04410	0.9
127.03927	1.1
135.10147	1.7
136.07558	1.4
137.05968	1.2
138.06406	0.8
145.02823	4.8
145.04932	0.9
147.04449	1.2
149.05997	1.5
151.03899	1.0
170.37697	0.8
175.13292	15.4
177.05457	7.8
191.10788	1.3
193.14366	3.3
201.05359	1.2
212.06697	0.9
233.17517	1.8
244.07149	1.2
251.18532	1.9
290.10144	0.9
303.13080	1.0
309.22708	31.1
317.11240	0.9
332.67877	0.8
337.10544	1.4
445.20325	1.5
470.18759	1.1
488.21875	24.5
489.15912	1.3
489.22729	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	488.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.2
55.01860	11.9
55.05500	3.1
56.96555	5.9
57.03427	6.9
58.99584	3.5
61.02916	9.6
67.05502	6.3
68.99798	2.9
69.03431	33.3
69.07053	3.1
71.04974	9.5
71.59086	3.7
73.02914	10.2
79.05485	4.1
81.03423	29.2
81.07044	10.6
83.04970	3.2
85.01111	2.9
85.02905	100.0
85.06575	2.8
87.00835	39.4
91.05467	6.2
93.07042	3.8
95.04935	3.1
95.08598	9.4
95.46638	3.1
97.02287	4.8
97.02891	68.5
98.97610	5.7
99.04478	16.3
105.01865	63.1
105.07024	5.6
107.04957	25.6
107.08586	4.0
108.05292	5.8
109.02872	25.6
109.10170	7.5
112.02203	3.2
114.37922	2.7
117.01848	5.5
119.08556	5.1
121.02885	14.9
126.03704	3.4
127.03920	93.7
127.04913	5.1
129.01842	3.7
137.07079	3.5
139.03899	12.1
140.71864	2.5
145.04965	60.0
146.99588	2.8
149.06004	4.9
153.85339	3.0
159.02913	20.9
165.09180	4.0
193.08563	3.6
206.39424	2.9
210.99152	4.8
211.99492	6.7
213.03816	4.8
219.10216	8.0
220.10606	6.7
226.12038	2.7
229.00362	4.0
231.05016	22.8
237.02754	8.8
249.06049	4.5
285.12817	4.3
286.12790	4.4
315.10547	4.2
325.14127	4.7
326.14636	9.9
326.18353	4.1
362.62024	3.2
393.54391	2.9
416.35999	3.5
455.15518	3.6
488.24402	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	487.215
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.26636	0.5
55.05510	0.7
69.03424	1.3
69.07061	0.9
70.06581	1.8
70.90324	1.6
71.46262	0.5
81.03417	0.8
81.07061	1.5
85.02909	1.4
86.09660	0.5
87.04444	1.4
88.66835	0.6
91.05475	0.9
93.07040	1.3
95.04944	0.9
95.08630	0.8
97.02856	1.5
105.06993	0.7
107.04970	1.2
107.08559	1.2
109.02878	0.7
109.10119	0.6
119.04916	0.6
121.06569	0.8
121.10120	0.7
123.04441	0.6
127.03910	1.1
131.04941	0.8
135.04430	0.7
141.98898	0.6
145.02870	1.9
147.04492	0.9
154.05023	3.7
158.51846	0.6
163.03841	1.1
177.05505	3.3
189.09123	1.0
193.05057	0.9
209.32652	0.5
212.07353	3.2
240.12354	1.6
253.08038	0.6
307.13232	2.2
320.67609	0.6
333.08008	1.3
355.17435	1.8
414.69406	0.5
427.16519	0.6
455.63220	0.7
487.21487	100.0
488.22141	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	487.1964
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03928	1.2
55.05505	0.7
57.03441	0.7
67.05494	1.9
69.03424	3.3
69.07054	1.3
69.86128	3.0
71.05008	0.7
79.05478	1.7
81.03407	1.0
81.07069	2.8
83.04982	1.0
83.29286	0.6
84.04485	0.8
85.02918	5.3
85.06559	0.6
91.05476	1.6
93.07039	1.5
95.04956	2.1
95.08597	2.7
97.02876	2.8
97.06561	0.9
105.07011	1.9
107.04955	100.0
107.08587	1.8
108.05268	0.8
109.02891	1.3
109.06512	1.1
109.10151	0.9
119.08582	2.0
121.06502	1.2
121.10156	0.8
123.08085	0.7
127.03931	1.9
131.04927	1.7
131.08559	0.8
133.06502	0.8
135.04401	1.1
135.11723	1.0
137.05989	1.3
145.04939	0.8
147.04466	1.9
147.08057	0.9
149.06021	1.9
159.08081	1.2
161.05998	1.5
165.05499	5.1
165.09132	3.1
175.07593	0.7
177.05522	2.2
177.09084	2.7
188.73885	0.6
191.07051	0.7
191.10747	0.7
201.09120	2.8
203.07228	0.7
219.10165	33.2
220.10417	0.7
221.19008	0.8
273.07626	0.5
307.13297	2.2
325.14340	47.5
326.14749	0.8
340.17621	0.7
375.87292	0.6
382.95956	0.6
451.22739	0.6
453.79303	0.6
487.17673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01872	2.9
62.06845	1.6
69.03435	17.7
70.06592	2.5
70.65382	4.1
70.65729	2.5
71.04993	3.8
74.83180	1.6
79.49911	1.7
81.03415	14.6
83.11891	1.8
84.04475	3.0
91.05494	2.9
97.02911	2.0
99.04456	6.5
110.52319	1.9
118.06552	3.2
120.24564	1.6
133.02803	2.3
133.32843	1.8
145.07626	3.5
147.09203	11.3
173.07037	10.4
175.08682	7.3
188.47598	1.9
191.08154	100.0
301.11807	1.9
307.12891	34.2
325.13901	61.3
325.17694	3.9
439.67264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.70119	1.3
57.03433	2.8
69.03424	16.6
69.07035	1.4
70.06580	3.6
71.04979	6.4
71.06895	1.6
71.59116	1.6
73.02919	2.2
75.16131	1.5
79.05524	1.8
81.03422	17.6
84.04498	2.3
84.08124	2.7
85.02894	3.6
85.22376	1.3
86.09700	2.2
91.05482	3.3
97.02875	3.1
99.04461	6.8
100.07624	1.8
103.05456	2.1
114.37132	1.5
114.84549	1.6
117.05526	3.0
118.06538	3.5
127.03876	1.6
139.03879	2.6
145.02859	2.0
145.07626	5.3
147.09151	8.4
161.07088	1.8
173.07130	12.5
175.08643	6.2
178.04977	3.9
186.02235	4.5
187.02502	2.5
191.08154	100.0
206.02657	1.8
206.04553	5.4
289.11945	3.3
307.12881	27.3
325.13916	59.8
388.30731	1.6
405.98035	1.9
444.50101	1.9
487.21988	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40003	0.5
62.48397	0.5
69.03391	0.7
69.50078	0.4
69.67307	2.1
69.67723	1.3
70.06563	0.6
74.00656	0.5
76.04004	1.7
84.04515	5.3
85.02956	0.5
85.04020	1.6
86.06059	1.1
87.04472	15.7
92.01746	0.6
93.05786	3.1
94.06553	1.1
99.02668	0.7
106.06532	0.8
107.07320	0.5
120.08092	0.6
125.03005	0.8
126.03741	12.5
127.02153	0.6
130.05011	3.0
131.04510	1.4
132.08087	2.9
133.08882	1.7
134.09677	1.1
135.02655	0.6
138.03731	1.8
145.06059	0.7
150.09138	0.7
152.05307	2.1
160.07590	1.7
161.08391	3.5
162.09166	1.1
166.06874	10.6
166.08267	0.6
168.04800	1.2
172.77802	0.5
176.05350	1.1
176.42934	0.5
177.03273	4.0
178.08699	0.8
179.09506	2.4
180.04774	1.1
180.10196	5.0
182.11812	1.3
184.07904	1.9
185.03770	1.8
190.04979	0.6
194.06361	14.2
196.07962	0.7
198.32419	0.6
212.07407	100.0
213.07701	1.5
214.08978	0.9
220.07928	0.9
231.04349	4.7
238.08948	5.9
248.07404	2.0
255.11597	4.7
256.06635	0.5
265.10104	2.7
266.08450	8.4
283.11096	4.5
288.06485	0.7
288.14676	0.7
306.07693	0.6
321.12659	1.7
358.14307	7.8
394.14294	0.9
412.15289	0.9
487.18762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64275	1.0
55.01891	1.2
56.96567	1.2
57.03418	1.7
69.03421	6.2
69.61370	4.0
69.61781	5.2
70.06598	2.4
72.08149	1.7
74.32067	1.1
79.01844	1.1
81.03413	1.4
83.04990	1.5
84.04528	2.0
85.02898	5.5
91.05479	1.8
97.02891	3.3
105.07076	1.5
109.02898	2.1
113.28233	1.7
115.03924	2.6
116.07084	1.6
133.02827	1.3
134.99672	1.4
137.06009	1.7
139.04045	1.4
146.51932	1.1
147.04424	2.1
149.05991	2.8
161.05971	1.4
163.03912	3.9
163.94101	1.2
165.05515	4.4
177.05515	4.5
178.06282	2.6
181.05038	3.2
186.02319	1.6
188.72615	1.4
189.05461	2.5
193.04938	13.0
194.00410	1.6
205.04961	54.8
206.05760	25.6
207.03159	1.3
207.06450	2.4
209.02678	6.4
217.04976	11.9
219.06587	8.7
229.04971	2.5
230.05721	2.5
231.06493	4.1
231.71684	1.5
233.04468	4.7
235.06003	100.0
236.06424	1.7
245.04390	2.1
245.08116	13.7
247.06067	2.6
259.06018	27.2
261.03973	2.2
265.07065	3.1
273.07611	5.0
289.07053	17.4
301.07050	10.8
319.08139	20.4
337.09131	20.8
355.10226	96.5
356.10727	2.4
365.78464	1.3
487.13797	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	487.1446
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
53.03938	1.5
53.68455	0.6
55.01866	1.7
57.03440	5.2
61.02920	2.6
68.26950	0.7
68.99800	0.7
69.03078	1.4
69.03427	16.1
70.06568	1.5
71.01360	0.7
71.04986	2.3
71.59256	1.4
72.08147	0.6
73.02901	1.7
75.04475	1.1
81.03413	2.9
84.08125	1.6
85.02899	15.5
86.09707	2.1
87.04466	5.4
87.39582	0.6
88.03978	1.0
91.05501	0.7
97.02901	7.9
99.04448	2.1
107.04989	1.0
109.02887	1.6
115.03943	2.6
117.79617	0.6
118.06519	0.7
123.04468	0.6
127.03899	1.8
133.04948	1.4
135.04436	0.8
137.06024	1.0
145.04904	1.1
145.07603	2.9
147.04407	1.0
147.09166	55.6
151.03818	1.3
159.09169	2.4
161.05913	0.7
163.03914	3.2
163.07420	0.7
167.03430	1.1
169.04936	0.9
177.05463	1.2
182.85622	0.7
188.06805	0.8
189.05473	12.1
189.10330	0.8
191.08150	55.9
192.04031	0.7
192.08592	0.8
193.04982	4.6
194.00313	1.9
201.05386	0.7
203.07071	5.5
205.04958	60.1
206.05743	5.3
209.02675	4.0
216.68680	0.7
217.04994	8.9
217.08501	0.8
219.06586	0.9
227.07048	1.9
229.04951	2.4
230.05849	0.9
231.02914	1.4
231.06516	14.8
235.06007	63.6
236.06351	1.9
243.06450	2.0
245.08092	6.7
245.16298	0.8
247.06192	1.2
255.06587	2.3
259.06003	25.2
263.13879	2.0
271.06113	6.4
273.07632	1.7
281.12488	0.6
281.14932	31.5
283.05960	7.0
289.07071	16.9
301.07086	11.2
307.12878	6.0
319.08127	10.0
325.13937	100.0
326.14026	0.8
337.05435	1.2
337.09219	13.2
355.10226	21.3
435.74023	0.7
443.20172	3.2
487.19589	3.5
508.72861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15662	4.2
54.31208	4.5
55.05512	16.4
56.96575	5.6
57.03434	6.1
67.05499	54.9
69.03419	12.5
69.07060	35.6
71.05000	6.8
79.05498	31.0
81.03445	7.5
81.07061	32.1
83.04964	8.0
83.08645	6.3
85.02895	8.8
91.05478	37.8
93.07047	36.1
95.01312	14.1
95.04980	11.3
95.08606	43.5
97.02889	9.1
97.06519	12.8
97.10160	11.7
98.20685	11.2
105.07028	39.1
107.08595	17.8
109.10175	15.4
110.90068	4.5
111.04384	4.6
117.07008	12.3
119.08561	16.1
121.10137	30.9
123.04449	8.0
123.08057	5.4
128.06223	6.8
129.07004	12.7
131.08559	21.9
132.00269	5.0
133.10126	25.1
135.04402	5.0
135.08061	8.1
137.09633	15.3
139.11191	13.8
141.06984	7.8
143.08600	4.8
143.80252	5.0
145.10098	11.7
147.11685	7.5
149.05963	5.6
149.09630	9.2
157.10240	6.8
159.11717	14.1
161.09622	4.6
165.05481	6.9
169.10173	6.4
170.94904	4.9
171.11690	6.4
173.09590	5.2
173.13277	7.3
177.04041	6.1
193.64900	5.0
194.10732	4.7
197.13345	8.6
199.11380	5.2
203.10701	26.8
203.12762	17.9
205.08597	41.6
212.36082	5.9
217.12186	5.4
221.11673	32.9
239.17967	15.1
257.19098	10.9
269.10629	7.8
275.17239	5.4
275.20026	12.1
279.12454	7.7
287.91501	6.3
333.20676	6.6
349.16980	5.4
367.18695	16.0
379.19186	8.0
387.21664	100.0
397.20016	13.1
405.22742	66.6
415.21274	9.8
423.23758	13.2
433.22415	16.1
451.23062	12.9
454.93170	11.5
486.32040	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	486.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01881	1.9
55.05513	10.7
56.05029	2.2
57.03432	2.9
57.07071	1.6
58.99583	19.0
59.42258	0.9
60.28912	1.2
60.44514	1.1
67.05508	41.5
69.03437	3.8
69.07073	7.1
70.72592	3.1
71.04994	1.9
72.08150	2.9
73.01136	1.1
73.06554	4.8
74.00665	1.5
76.02230	78.6
76.04002	3.6
79.05487	11.6
81.03418	1.2
81.07054	32.6
82.07424	1.2
83.04940	1.2
83.06100	3.1
83.08620	4.0
84.04506	26.2
85.01115	2.2
85.02894	4.5
86.99051	4.7
87.02676	2.1
88.02217	1.9
91.05488	10.3
93.07036	12.3
95.04955	6.1
95.08611	58.4
96.08933	1.4
97.02911	1.5
97.06519	2.3
99.05605	1.2
105.07042	12.6
106.06573	2.6
107.08606	9.1
109.06509	4.4
109.10155	36.2
113.04174	1.3
116.01676	28.9
117.07037	2.1
119.08575	16.5
121.10140	4.3
123.08055	3.8
127.03916	1.2
129.06633	3.5
130.05000	7.6
130.06879	2.7
130.08629	1.7
132.04776	1.5
133.10141	6.5
134.04358	2.7
134.09666	3.3
135.08098	1.8
135.11713	2.9
137.09622	4.7
137.13237	1.1
139.05800	2.9
141.07426	1.2
142.03197	7.3
144.01141	17.5
145.05072	1.2
145.06096	1.4
149.09570	1.2
151.14832	22.1
161.13261	15.6
162.00833	1.8
162.02206	55.3
170.02690	3.3
179.04855	100.0
179.14319	33.8
180.05237	1.6
187.05396	3.8
203.14397	1.8
215.04904	1.7
216.06805	1.8
219.11978	1.6
233.05913	20.5
233.09454	2.4
236.14677	6.8
237.13077	5.4
245.05928	3.5
254.15559	1.2
271.44272	1.4
290.17581	1.3
291.06488	2.2
308.09125	12.1
339.17438	12.9
393.18414	2.6
402.05228	1.2
411.19550	12.2
468.21851	5.6
486.21887	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.8
57.03432	6.9
57.07068	19.3
60.28661	4.7
62.12044	4.3
65.21295	4.1
67.05513	9.9
69.07059	9.1
70.84716	12.3
71.08617	15.0
74.09940	3.7
74.22040	4.0
81.07044	10.4
83.08613	6.3
85.10171	6.1
86.60887	4.6
89.25262	4.0
91.05495	4.7
95.08607	13.7
103.64938	5.3
109.10172	8.6
125.19763	4.6
272.44763	4.5
281.53485	4.6
313.27390	100.0
346.65601	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	18.2
71.59880	3.0
87.04466	28.4
90.40288	2.7
91.05489	21.8
119.04942	9.6
119.08599	3.5
121.06505	23.4
133.05156	2.5
147.08058	8.5
164.10698	9.1
165.07948	2.6
165.09065	11.9
177.12782	28.5
220.16956	13.6
221.15350	3.3
242.15222	13.2
264.16013	7.7
286.14139	15.7
300.15717	3.1
328.18817	97.8
329.39511	3.1
349.25964	2.7
384.72604	2.5
486.20645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	27.0
67.05517	3.9
69.07092	2.0
69.72540	10.2
71.95240	2.1
73.34741	1.9
79.05496	2.4
81.07059	4.0
89.06054	4.6
91.05489	3.7
93.07041	3.1
95.08603	3.4
102.92595	3.3
105.89886	1.6
107.08513	2.8
108.15416	1.8
109.10156	3.4
113.51044	2.0
119.08607	2.8
123.01193	2.0
128.98595	3.8
129.42328	1.9
136.93126	5.9
146.99638	6.3
150.95580	7.1
154.94139	17.0
161.01201	2.5
168.95709	10.6
172.95235	46.5
186.96788	93.0
190.96284	29.1
195.96880	3.4
204.97856	95.6
209.98422	7.6
210.96782	4.2
224.98413	3.2
227.99440	5.8
228.97830	11.9
231.26649	1.7
242.99484	18.4
245.01112	2.9
246.98955	2.7
261.00378	3.5
266.01035	2.9
317.17877	100.0
333.17490	2.0
335.18903	47.8
358.20514	19.5
373.20633	5.1
411.16031	9.8
425.17688	12.3
453.17154	21.9
467.18719	15.4
471.18188	45.5
485.19788	20.4
485.32727	4.3
494.19586	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	485.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82841	0.3
53.03931	0.3
55.01856	0.8
55.05494	0.8
57.03408	0.5
61.02923	0.3
65.03908	0.3
67.05488	1.1
69.03408	0.9
69.07053	0.9
69.82407	1.6
73.57056	0.3
77.03908	0.4
79.05481	1.3
81.03398	0.6
81.07060	2.2
83.04956	0.4
85.02876	0.9
85.06524	0.3
87.01973	0.3
91.05477	3.4
93.07047	1.5
95.01311	0.9
95.04955	0.5
95.08591	1.4
97.02855	0.6
97.10165	0.3
103.05451	0.7
105.03347	0.7
105.07018	1.5
107.04940	0.8
107.08567	1.2
109.02814	0.3
109.06526	1.6
109.10156	0.9
115.05457	0.3
117.07025	0.6
119.04942	2.8
119.08573	2.2
119.14204	0.3
121.02822	0.5
121.06522	1.0
121.10125	0.6
123.00739	0.6
123.04424	1.3
123.08086	0.4
123.11663	0.4
127.03878	0.7
128.06213	0.5
129.07004	3.0
131.04964	0.4
131.08542	1.0
133.02824	0.8
133.06506	0.7
133.10097	1.1
135.04430	0.4
135.08018	0.5
135.11650	0.3
139.03976	0.3
141.07079	0.3
144.05673	1.0
147.04413	6.8
147.08064	4.4
147.11702	0.4
149.02333	2.2
149.13231	0.4
151.03879	2.3
157.06528	0.8
159.11592	0.4
160.05193	0.7
161.02353	12.1
161.05966	4.7
161.13264	0.3
163.03902	2.1
165.12910	0.3
167.03421	5.3
174.11932	0.3
175.03937	2.5
175.07541	3.0
175.52022	0.3
185.05971	5.4
188.04752	0.8
203.07027	100.0
204.07344	1.2
221.08093	1.5
241.72604	0.3
273.20493	0.3
281.08057	0.4
281.11417	0.4
287.16388	0.3
323.12766	63.5
324.13159	2.1
448.78156	0.3
485.22330	3.3
485.31146	0.9
514.07263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.09038	1.2
57.07077	14.8
57.15000	1.1
58.06596	2.0
63.59268	1.2
65.13097	1.0
65.36292	1.0
67.05492	2.3
68.16450	1.2
69.07047	2.4
70.06596	14.0
70.90652	1.2
70.91003	3.8
71.08630	6.2
73.02923	1.7
81.07050	2.5
83.08605	3.3
85.10172	3.5
88.07632	16.3
95.08610	4.1
97.10176	1.6
102.09184	14.7
143.51691	1.1
151.17877	1.1
228.20941	2.2
228.23230	50.3
246.24361	3.5
255.23271	5.0
256.26413	3.7
283.26337	52.3
403.29709	1.5
484.47269	100.0
485.47574	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	484.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
53.19219	0.5
55.01852	2.1
55.05260	0.6
55.05509	7.9
56.49862	0.5
57.03434	3.9
59.57448	0.5
59.99109	4.9
61.02643	0.7
61.02927	7.0
61.85420	0.5
63.77696	0.6
65.66187	0.5
69.03078	0.8
69.03428	13.0
70.65727	0.7
70.66064	1.3
71.04978	2.1
71.18056	0.6
72.08147	6.4
73.02901	2.0
73.06553	42.0
79.05492	0.7
81.03413	6.3
85.02902	59.6
85.07655	1.6
86.06057	3.2
87.04456	1.6
89.04243	1.3
91.03960	3.6
95.04992	1.0
95.21549	0.6
97.02884	18.3
99.04453	3.7
102.00124	0.7
102.03746	1.1
102.99628	1.2
104.31118	0.5
106.06550	38.0
109.02876	5.3
115.08702	4.6
116.07091	1.6
127.03912	13.4
127.04807	1.0
132.04784	100.0
134.06010	3.4
141.06577	1.5
145.04993	19.8
157.13322	4.2
163.06015	3.0
175.05385	5.3
188.40941	0.7
191.11824	1.6
208.05386	2.1
214.29349	0.6
217.10062	13.6
250.10104	1.6
280.10959	2.6
364.47510	0.5
379.15277	18.8
439.39929	0.6
484.21213	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
53.53755	2.2
55.01854	7.8
55.05521	2.3
56.98277	2.6
57.03446	14.2
59.05005	2.5
59.13504	2.6
61.02917	6.2
61.75935	2.9
63.38698	2.6
67.05502	8.0
68.99801	3.1
69.03428	89.5
69.07063	20.4
69.82813	15.6
70.06606	5.3
71.04985	5.6
72.08134	2.9
73.02918	8.2
75.56512	2.5
79.05470	4.9
81.03412	26.0
81.07058	6.2
83.04993	7.5
83.08639	3.3
85.02902	100.0
86.09701	9.4
87.00823	46.5
87.04465	19.9
91.05494	6.8
93.07046	6.5
95.04963	6.3
95.08591	5.4
97.02888	86.9
97.03512	4.9
97.06537	2.8
98.21513	4.1
98.97581	3.2
99.04449	20.3
104.10726	3.2
105.01864	62.1
105.02569	3.7
105.07047	3.9
107.04957	6.0
107.08615	3.5
109.02877	27.8
109.10182	6.3
111.04476	5.5
111.08087	6.5
113.25182	2.5
115.03915	25.5
119.04936	2.7
119.08501	4.4
120.04211	3.0
122.06017	9.4
123.04421	7.0
125.09647	3.7
126.09132	3.0
127.03918	62.4
129.05457	2.6
131.04881	2.9
133.04970	16.8
136.07585	4.7
137.05969	3.7
139.03906	12.7
145.04942	36.1
147.04401	9.2
148.07526	3.2
150.07631	11.9
153.05379	3.4
159.02930	12.4
162.20116	2.7
165.05481	4.7
165.09142	2.6
173.11668	3.3
176.07205	2.7
177.05405	3.4
189.03983	3.3
191.03471	5.6
192.03799	3.6
205.04994	4.5
213.03883	5.6
215.05649	2.8
223.06088	4.7
231.02806	3.6
231.04890	19.0
237.72073	2.7
241.07138	7.8
249.06133	11.8
259.08127	3.0
287.14191	3.1
301.09055	5.3
325.11771	7.4
327.07040	12.4
343.12769	3.2
344.13419	3.0
345.08179	21.5
484.20816	4.1
484.28198	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	483.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	14.0
61.26846	2.4
67.05448	3.7
69.07059	3.0
69.28230	8.6
69.28648	26.8
71.08628	9.3
81.07030	5.8
85.10168	3.5
89.06017	15.1
107.42169	2.7
113.47520	2.8
133.08598	8.2
141.06993	5.4
143.01799	2.7
143.08588	4.3
152.06226	11.7
153.06998	16.3
158.40828	2.9
164.63864	3.0
168.08110	4.6
169.06464	3.2
169.08890	4.7
170.09642	64.3
177.11252	3.4
181.07578	7.6
182.08405	4.5
184.07576	16.7
191.09395	2.9
198.09241	30.5
199.09908	17.2
213.10182	3.3
271.45770	2.8
310.12140	3.5
322.12347	11.7
333.11060	4.7
333.14377	3.5
337.13150	3.8
349.13699	13.8
350.11661	18.7
350.14603	9.9
353.16467	3.3
365.16592	24.6
366.13596	3.8
376.15869	3.8
381.15762	6.9
382.16684	22.8
396.18356	16.9
397.19080	100.0
423.16867	4.8
440.17178	8.2
441.17929	16.8
483.23022	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	483.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
54.03537	0.6
55.03280	0.7
55.05501	2.8
61.55877	0.8
67.05508	2.4
69.03421	1.6
69.07066	1.3
70.06589	0.8
70.88441	1.9
70.88803	1.1
79.05465	1.9
81.03411	1.4
81.07053	3.2
83.04978	1.1
85.02888	0.9
85.06533	0.7
91.05473	1.4
93.07042	3.1
95.04948	1.3
95.08608	3.0
97.02894	0.9
97.06503	1.0
97.10143	1.5
105.07021	1.7
107.08580	3.2
109.06557	0.9
109.10139	2.1
111.08060	0.8
119.01924	2.3
119.08565	2.0
121.10143	1.7
123.04388	0.8
123.11766	1.1
133.10153	1.4
135.11725	1.2
143.01869	0.8
149.09779	0.7
151.03946	1.1
153.05484	2.0
156.05815	0.7
159.11699	0.8
164.84450	0.7
171.49762	0.6
187.00894	1.0
205.47890	0.9
227.05270	1.1
271.04208	1.3
289.05374	2.5
289.12051	0.7
303.23325	1.0
379.20200	1.0
397.21582	2.7
421.22061	1.6
439.22998	16.6
439.28638	1.1
465.21051	7.7
480.89682	0.8
483.22028	100.0
484.22305	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.05492	0.8
56.49780	0.3
59.04992	0.7
64.54556	0.4
64.84650	0.4
67.05497	0.7
69.03416	0.7
69.07064	0.8
69.34843	0.8
69.35236	3.1
71.16935	0.3
79.05492	0.6
81.03408	0.9
81.07064	2.2
83.04975	0.5
83.08643	0.4
84.74289	0.3
85.02892	0.5
91.05502	0.5
93.07045	1.2
95.08620	1.6
97.02883	0.6
97.06550	0.5
97.10168	0.7
99.04489	0.3
105.07047	0.7
107.08599	0.8
109.02914	0.5
109.06514	0.4
109.10154	1.0
111.08041	0.3
119.08602	0.6
121.10161	1.1
123.04441	0.7
123.11722	0.4
127.03918	0.6
131.08548	0.4
133.10092	0.3
135.11673	0.4
139.11192	0.4
147.11685	0.7
148.07518	0.3
149.13222	0.4
199.34488	0.3
203.05296	0.9
259.07935	0.7
282.78104	0.4
293.21414	0.4
303.23276	0.4
321.16672	1.1
455.77734	0.3
483.22037	100.0
484.22488	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	483.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05515	4.2
67.05496	3.3
69.03409	2.6
69.07064	3.6
69.97981	1.7
69.98390	2.4
70.06593	1.2
71.05009	0.9
72.08156	0.8
79.05497	2.1
81.03404	2.0
81.07057	6.0
83.05006	1.0
83.08624	1.3
85.02909	2.5
85.06554	1.4
86.09672	1.6
91.05465	1.7
93.07058	3.4
95.04977	1.8
95.08631	4.9
97.02892	1.3
97.06535	3.2
97.10182	3.7
104.10702	0.7
105.07045	4.0
107.08598	4.3
109.02887	2.1
109.10199	3.6
111.08116	1.3
119.01954	2.1
119.08594	2.2
121.10152	3.0
123.04459	1.9
123.11736	1.5
124.99968	0.9
125.09589	0.9
127.03922	2.2
133.10133	2.5
135.11714	1.9
137.09657	0.7
139.11201	1.0
143.01912	0.9
143.10689	1.7
147.11732	1.8
149.09575	1.0
149.13254	1.3
153.05484	2.7
156.95668	0.7
159.11729	1.0
159.49863	0.6
161.02965	1.4
163.03906	2.5
165.05486	0.8
167.03313	0.7
173.02388	1.4
174.19923	0.8
175.04555	0.9
184.07352	3.2
187.00871	1.6
187.11235	0.9
215.06992	4.7
217.15941	2.6
235.16855	1.8
241.08981	0.7
245.06404	2.8
255.91597	0.7
259.09714	1.4
263.96082	0.7
271.04263	1.2
276.48892	0.8
287.03638	1.1
289.05316	17.8
291.12439	2.1
295.17572	0.9
303.23248	1.5
321.24445	1.3
397.21964	5.1
439.23071	24.3
465.28366	1.2
483.22058	100.0
484.22186	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	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.2
55.01858	7.0
55.05503	17.0
57.03431	9.4
61.02913	4.3
64.82271	4.2
67.05504	21.1
69.03413	16.8
69.07072	34.3
71.04970	5.9
71.58955	4.7
79.05495	29.3
81.03412	13.2
81.07056	39.4
82.63648	3.7
83.04980	9.6
85.02904	10.3
85.06532	6.7
90.55313	3.8
91.05460	13.4
93.07041	20.8
95.04959	15.7
95.08625	26.9
97.02868	15.1
97.06522	57.6
97.10138	7.6
97.76015	4.2
105.07014	19.3
107.04961	5.1
107.08583	19.0
109.02827	5.7
109.06494	7.1
109.10143	18.0
111.08064	15.4
119.08574	17.7
121.10187	21.5
123.04404	9.7
123.11730	6.4
125.09596	7.5
127.03929	10.8
131.08609	7.7
133.02878	6.0
133.10123	18.1
135.04309	8.4
135.08090	4.8
135.11682	8.5
137.05948	11.2
137.09599	8.9
139.03951	7.3
139.11171	4.6
143.08582	5.7
143.10649	5.6
145.02852	5.4
145.10126	11.5
147.11644	12.4
149.09619	8.0
149.88943	4.0
151.03801	4.4
151.11191	5.8
153.05452	8.2
159.04457	7.8
159.11728	5.4
161.02341	9.3
161.13362	4.6
163.03922	34.6
165.05441	8.3
173.02356	81.4
173.13258	7.5
175.04063	4.8
175.07608	7.0
177.05414	5.8
187.07631	6.0
191.03438	11.9
215.07010	82.6
217.15781	7.3
235.16949	37.0
241.08572	50.0
259.09656	56.8
273.11206	100.0
291.12485	5.6
321.24240	5.0
388.05231	4.8
465.18140	4.8
483.21161	6.1
483.31308	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	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05514	11.9
57.03425	7.5
61.02919	4.6
67.01875	2.4
67.05517	11.5
69.03439	12.9
69.07067	30.7
70.29858	9.4
70.30202	3.4
71.04976	4.9
72.08154	2.1
79.05492	18.4
80.53638	2.8
81.03403	6.6
81.07065	19.0
83.04983	6.6
85.02891	7.2
85.06535	6.8
86.09693	3.6
87.04453	2.4
89.03914	5.2
91.05477	8.3
93.07040	9.3
93.47014	2.5
95.04961	8.8
95.08595	15.7
97.02886	4.6
97.06531	87.3
97.10162	9.1
105.07027	10.6
107.04938	13.3
107.08615	14.5
109.02891	4.1
109.06518	2.9
109.10165	10.7
111.04440	3.2
111.08060	14.6
117.07018	3.5
119.04939	3.7
119.08585	11.3
121.06472	4.4
121.10152	7.8
123.04432	7.6
123.08050	3.6
123.11720	7.2
125.09659	3.1
127.03924	4.2
129.06990	3.3
129.09134	4.4
131.08595	5.0
133.02817	7.4
133.10143	8.7
135.04422	10.3
135.11690	3.7
137.05936	2.8
137.09575	2.6
139.03833	3.0
139.11189	2.8
145.02853	8.4
145.10130	3.7
147.04437	4.9
147.08086	2.7
147.11659	4.9
149.13164	4.6
151.11194	3.8
153.05447	10.0
157.06523	4.0
159.04417	9.7
159.11717	4.7
161.02347	29.9
161.06001	4.0
163.03912	61.8
163.11163	2.7
165.05537	15.7
173.00937	4.8
173.02347	62.0
173.13205	2.4
175.07533	20.6
176.08356	3.1
177.05458	3.7
184.07271	3.5
185.06009	4.8
191.03395	9.0
195.06448	2.7
200.11420	2.6
203.07071	2.9
207.10098	5.9
215.07024	100.0
217.08653	5.2
233.08142	2.5
235.09647	18.0
241.08578	17.0
259.09680	35.8
273.11322	14.9
275.12503	4.8
291.12283	95.6
303.23245	5.1
317.10098	2.9
321.24261	5.0
327.75174	2.5
335.14725	14.4
373.18402	2.7
379.13684	11.2
434.13226	2.6
439.15793	5.9
483.14713	32.6
483.21689	4.8
483.29401	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	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
57.03431	2.0
57.07066	1.9
67.05505	6.9
69.03416	4.5
69.07069	8.0
71.04999	2.0
71.59277	1.8
71.59674	1.6
72.08128	1.8
79.05488	5.2
81.03394	4.4
81.07045	12.5
83.04973	3.1
84.27100	1.4
85.02918	2.7
85.06536	3.2
91.05473	5.9
93.07041	8.2
95.04986	3.2
95.08595	9.5
97.02901	3.2
97.06519	10.4
97.10167	5.6
97.70403	1.3
105.07034	7.7
107.04938	2.0
107.08587	5.6
109.02884	2.7
109.06537	1.4
109.10162	8.0
111.04491	1.5
111.08079	4.3
116.17139	1.2
119.04981	2.8
119.08589	5.1
120.08156	2.0
121.10136	4.0
123.04440	19.0
123.08092	2.3
123.11675	4.0
125.09632	1.9
127.00066	3.3
127.03867	3.1
131.08533	1.6
133.10117	3.9
135.11699	3.3
137.05904	2.1
139.11230	2.9
143.08574	1.8
143.10718	2.2
145.10127	2.8
147.04422	6.3
147.11707	3.0
151.11313	1.4
153.05478	5.4
157.10077	2.0
159.04504	1.8
159.11652	3.3
161.02365	2.3
163.03912	6.1
165.05424	2.1
165.09088	2.0
165.12773	1.6
173.02335	4.3
185.05937	1.7
191.03415	2.3
203.03343	7.3
204.92619	2.1
205.98462	1.5
215.03462	1.6
215.07051	8.9
229.05026	10.4
231.13548	2.5
239.97580	1.5
245.04422	15.5
254.10413	1.4
257.04453	100.0
258.05106	5.0
259.09653	3.8
269.04404	3.8
271.05957	2.9
273.11182	2.2
275.12518	6.0
287.05554	10.1
291.12320	7.7
291.15738	7.1
299.05511	4.0
303.23306	2.4
321.16724	1.4
331.08170	6.0
335.14676	30.6
353.15689	2.8
379.13614	15.4
391.08356	2.2
395.16977	2.8
397.14581	4.0
409.09241	50.0
410.09235	2.6
439.15750	14.3
483.14719	53.2
483.21341	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	482.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03008	7.3
50.43934	8.2
55.05502	31.4
57.03437	9.4
57.07072	23.1
61.97570	8.8
67.05483	35.8
69.07074	43.5
70.17915	45.8
71.08630	10.0
79.05484	35.2
81.07043	38.6
83.08625	19.5
87.49182	9.0
89.05992	9.6
91.05465	29.4
93.07030	42.3
95.04961	21.2
95.08605	27.4
97.10194	18.4
98.21590	7.8
105.07015	26.3
107.04947	34.7
107.08559	19.1
109.10156	14.7
117.06960	9.2
119.08566	23.5
121.10141	20.9
125.09653	18.9
133.08569	20.3
133.10112	25.3
135.08002	18.5
147.11652	8.2
189.11288	13.0
237.14873	8.3
275.20108	100.0
293.21118	64.8
313.32828	9.6
482.26477	21.2
483.17874	19.9
483.36655	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.7
57.03433	14.5
57.07060	12.6
67.05508	17.1
67.06200	7.3
69.03419	33.0
69.07081	64.6
71.59129	8.6
71.59522	11.6
73.02914	16.8
73.06539	14.4
79.05492	13.2
81.03418	22.5
81.07047	18.9
85.02900	59.1
87.00817	25.3
89.06033	31.5
91.05495	14.0
93.07048	13.8
95.04972	9.0
97.02898	40.2
99.04434	13.3
105.01861	35.0
105.07058	8.8
107.04955	12.0
109.02892	13.1
111.04424	8.9
111.11722	90.3
115.03885	9.2
119.08613	7.6
121.29695	7.9
126.05502	13.7
127.03854	41.8
129.12761	100.0
133.10106	8.0
138.05475	18.5
145.04996	23.7
147.04366	13.6
153.05388	7.4
159.02852	11.7
188.89131	7.6
198.41367	7.7
199.16907	15.8
204.08731	15.3
217.18069	9.0
231.04909	13.2
431.55203	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	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.7
57.03433	14.5
57.07060	12.6
67.05508	17.1
67.06200	7.3
69.03419	33.0
69.07081	64.6
71.59129	8.6
71.59522	11.6
73.02914	16.8
73.06539	14.4
79.05492	13.2
81.03418	22.5
81.07047	18.9
85.02900	59.1
87.00817	25.3
89.06033	31.5
91.05495	14.0
93.07048	13.8
95.04972	9.0
97.02898	40.2
99.04434	13.3
105.01861	35.0
105.07058	8.8
107.04955	12.0
109.02892	13.1
111.04424	8.9
111.11722	90.3
115.03885	9.2
119.08613	7.6
121.29695	7.9
126.05502	13.7
127.03854	41.8
129.12761	100.0
133.10106	8.0
138.05475	18.5
145.04996	23.7
147.04366	13.6
153.05388	7.4
159.02852	11.7
188.89131	7.6
198.41367	7.7
199.16907	15.8
204.08731	15.3
217.18069	9.0
231.04909	13.2
431.55203	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	481.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.0
55.01869	14.8
55.05509	39.4
57.03437	36.2
57.07061	7.8
63.07755	2.3
65.03936	4.0
67.05504	84.2
69.03426	55.4
69.07069	33.5
71.01359	4.5
71.04990	10.7
71.08611	6.1
71.14723	6.3
73.02908	11.3
79.05492	47.3
81.03410	44.1
81.07052	100.0
83.04973	15.6
83.08623	17.0
84.21824	2.5
85.02905	28.3
85.06548	6.7
85.10185	2.7
91.05476	44.8
93.07040	54.2
95.04967	17.8
95.08601	65.5
95.09167	4.5
97.02905	20.2
97.06534	9.2
97.10163	6.3
99.04440	15.7
99.08089	5.6
101.02360	3.5
103.03959	7.7
103.05457	3.9
105.07027	36.3
107.04960	8.1
107.08584	31.4
107.97204	2.4
109.02889	28.3
109.06509	8.3
109.10166	27.9
111.04443	8.6
111.08097	5.3
115.03937	3.5
117.07019	18.6
117.40723	2.7
119.04911	2.7
119.08588	26.4
121.06493	8.7
121.10113	20.4
123.04376	4.5
123.08106	6.5
123.10832	2.6
123.11716	8.4
125.09573	2.8
127.03920	28.6
129.05473	7.8
129.06999	9.9
131.08562	23.4
132.05739	2.4
133.06516	5.7
133.10132	19.0
135.08032	4.2
135.11667	18.3
137.05971	3.6
137.09599	4.3
137.13301	4.9
141.06967	3.2
143.08556	7.1
145.04974	8.3
145.06450	6.1
145.10107	18.1
147.08064	7.8
147.11668	13.3
149.05933	3.3
149.09628	4.8
149.13277	10.3
151.11206	4.4
155.08546	5.1
157.10132	7.3
159.08076	4.7
159.11710	9.4
161.09619	4.6
161.13261	8.1
163.11237	3.4
163.14832	7.2
169.10350	3.0
171.11673	6.3
173.13217	4.2
173.48630	2.7
173.50153	2.7
175.11163	3.1
175.14894	9.5
177.12791	5.3
177.16498	2.6
183.06551	10.8
185.09578	4.5
187.14842	7.6
188.31927	2.6
189.12700	5.7
189.16345	6.1
195.13716	2.4
201.07614	5.1
201.16371	4.1
205.15956	3.5
213.16391	3.3
217.15948	2.8
241.15913	3.9
243.17502	2.8
245.22647	4.2
261.22064	3.6
263.23734	8.2
273.22028	3.3
275.23718	5.5
285.22198	2.4
285.76678	2.8
287.23404	4.2
289.25186	2.3
293.24982	3.0
299.23633	3.1
303.23111	3.2
305.24689	4.9
317.24850	7.1
329.24750	4.8
336.98483	2.7
337.27545	5.6
343.26483	5.6
347.25961	4.7
353.24783	9.6
361.27106	3.0
371.25693	23.2
389.26797	10.5
421.39352	2.8
427.28226	3.9
433.29089	2.8
445.29666	16.1
451.30438	8.1
463.30417	31.2
481.31610	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53745	0.4
53.03930	0.7
55.05492	0.5
56.05019	0.6
56.06331	0.3
57.03405	0.9
57.07043	1.2
58.06593	2.3
60.77003	0.4
61.02936	1.8
67.05491	0.6
68.05022	2.2
69.03086	0.3
69.03423	5.1
69.25470	4.5
69.47696	0.4
70.06571	0.8
71.04980	0.5
72.08116	0.5
73.02885	1.5
79.05477	0.9
81.03413	2.2
81.07066	0.5
83.05639	0.5
83.06100	9.4
85.02428	0.5
85.02905	6.3
86.06066	5.8
87.04440	0.9
91.03910	0.4
91.05476	3.6
92.70288	0.4
93.07010	0.8
95.06082	4.0
96.04507	2.9
96.06851	0.7
96.08141	2.2
97.02895	3.0
97.07643	0.7
98.06030	0.7
99.04452	0.9
99.67677	0.4
100.07590	1.3
105.06994	1.0
106.40608	0.4
107.04928	0.7
107.08600	0.8
109.02855	1.2
109.03960	0.5
111.05558	16.9
111.09202	11.3
112.06322	2.1
113.07099	1.8
115.05427	0.4
119.04929	2.3
119.08539	0.4
119.69551	0.4
121.06464	0.9
123.09203	2.8
124.03898	0.4
124.07582	1.0
125.06258	0.5
125.07117	7.0
127.03876	1.6
127.05016	1.1
129.37352	0.4
131.04936	2.7
133.10106	0.6
137.06111	0.5
137.07063	2.5
138.89653	0.4
139.08662	5.9
140.09441	20.0
141.10248	5.8
145.04996	0.7
145.06496	0.6
145.10107	1.0
146.07259	0.4
150.96880	0.4
159.08006	1.0
163.11197	2.9
166.08568	0.4
173.09528	0.6
177.09091	5.9
179.10652	0.8
185.10764	0.5
213.13899	0.7
229.13249	0.9
241.17015	0.8
255.18593	1.4
272.18903	0.7
283.18033	3.4
301.19092	43.9
302.19507	1.7
319.20151	100.0
320.20486	3.4
372.00549	0.4
463.24429	1.5
481.25452	21.6
482.25803	1.2
490.23181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.168
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
57.03422	0.5
63.99092	0.4
67.05511	0.9
69.03419	0.9
69.07066	1.0
70.06582	0.5
71.59367	0.8
79.05471	1.0
81.03408	1.0
81.07047	1.8
85.02900	1.0
86.09692	0.9
91.05444	0.6
93.07035	1.6
95.04941	0.8
95.08605	1.2
97.10150	1.2
99.04444	0.5
105.07032	1.7
107.08556	1.1
109.06554	0.8
109.10147	0.7
119.08560	1.0
120.08057	0.5
121.10101	0.6
123.04428	3.0
123.07973	0.4
125.09614	0.6
125.13511	0.5
127.03739	1.8
130.06537	0.7
133.10152	0.7
135.11708	0.7
137.05966	1.9
145.10095	0.7
147.04388	0.6
151.07513	0.7
155.03146	0.6
158.06082	0.4
167.07108	0.6
171.04243	0.5
185.04236	1.2
185.05835	0.4
186.06506	5.1
241.04945	1.2
269.04437	3.4
282.05261	0.6
297.04028	3.2
317.08398	7.6
329.06467	1.0
341.06601	1.8
349.12650	2.0
422.73785	0.5
481.16791	100.0
482.17416	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	481.1681
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
52.86456	0.3
67.05492	0.4
69.03428	0.6
70.11124	1.4
79.05496	0.4
81.07052	0.7
81.78531	0.3
82.34750	0.3
85.02901	0.6
91.05473	0.5
93.07024	0.4
95.08601	0.9
97.02872	0.5
99.63512	0.3
105.07059	0.4
106.39775	0.3
107.08590	0.5
127.03677	1.4
135.08022	0.5
137.05991	0.5
139.03735	0.4
155.03093	0.3
169.04761	0.5
169.13680	0.3
181.44026	0.3
185.04201	1.1
186.06555	1.7
187.07343	0.6
233.11557	0.4
317.08401	8.7
329.06775	0.4
349.12637	1.7
481.16779	100.0
482.16974	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1113
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
50.04496	3.7
53.03926	5.7
55.01865	4.2
55.05504	13.9
56.96555	13.1
67.05489	12.6
69.03416	13.4
69.07060	15.1
70.28667	3.8
71.04997	8.8
71.58872	4.7
71.59271	6.4
73.02875	4.2
79.05485	11.9
81.03405	12.6
81.07052	23.4
83.04982	4.5
83.08637	3.5
83.16116	3.8
84.96067	4.9
85.02895	8.0
91.05459	9.3
93.07039	20.7
95.04977	12.4
95.08610	18.6
97.02883	6.9
97.06539	5.2
97.10159	12.9
98.97573	16.4
103.84313	3.9
105.07020	14.5
107.04953	4.3
107.08569	14.7
109.02868	6.1
109.06548	8.3
109.10152	19.6
110.97554	6.7
111.08083	4.9
116.98652	23.9
117.52627	3.6
119.08608	6.6
120.82462	3.6
121.06522	5.8
121.10120	9.4
123.04405	20.8
123.11700	3.9
125.09647	5.6
127.03954	9.5
128.98633	10.2
133.10170	7.7
134.99641	17.5
135.07999	5.3
135.11731	5.2
136.97847	3.6
137.05969	24.7
137.09608	4.7
145.10146	8.5
146.99687	18.2
147.11647	6.3
149.01192	4.5
149.05910	4.6
149.13258	5.1
151.07558	5.6
153.00827	3.8
158.99677	4.2
159.11646	6.7
161.09561	4.1
163.11214	4.1
167.07033	5.2
177.09177	5.2
187.07501	6.3
191.10663	4.2
219.01698	15.7
237.02812	32.2
238.09621	5.8
254.04651	23.0
272.05789	19.1
297.03690	4.1
311.08008	16.1
395.10327	18.8
413.11212	30.9
437.12027	16.1
437.21011	4.1
458.82156	4.6
463.17252	12.2
481.10983	100.0
481.19284	18.4
481.26901	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	480.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28042	1.6
55.05507	7.0
56.05040	3.0
57.03439	2.6
67.05505	6.1
69.03439	2.3
69.07080	2.5
69.46870	7.6
69.47297	7.5
72.08150	4.3
79.05493	9.0
81.03393	2.1
81.07065	8.4
83.04984	2.8
83.08625	2.5
84.08148	2.8
85.02905	2.1
85.25471	2.1
86.15268	1.7
87.07190	2.3
91.05482	3.1
93.07056	12.5
95.04964	4.3
95.08606	19.0
97.02880	3.9
99.04458	3.5
105.07021	3.0
106.06563	51.3
107.04985	3.3
107.08612	11.0
111.04427	3.1
116.07092	50.4
117.06969	5.3
119.08604	4.1
121.02883	1.8
121.06561	2.9
121.10149	6.9
127.08650	9.4
130.78194	1.8
135.11708	24.7
145.10135	14.0
150.28044	1.7
153.01927	1.8
163.03946	3.3
163.11183	34.7
169.13338	3.5
181.12225	7.2
227.12781	47.3
246.12372	5.4
247.02216	1.7
272.66080	1.7
283.15414	100.0
288.17020	12.1
318.06906	2.3
382.92947	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01855	0.7
55.05518	2.9
56.96560	0.7
57.03425	1.7
61.02929	0.7
61.95321	0.6
67.05499	2.6
69.03410	2.5
69.07072	1.0
70.06611	0.6
70.27081	1.2
70.27495	2.0
71.04981	0.9
79.05506	3.2
81.03414	0.9
81.07057	4.9
83.04984	1.1
83.08615	2.0
85.02917	4.4
87.00856	0.7
87.04453	1.1
91.05471	1.6
93.07034	5.5
95.04982	1.9
95.08607	5.9
97.02883	3.1
97.06514	0.6
97.10180	0.5
99.04452	1.3
105.07026	1.5
107.04961	0.9
107.08576	4.0
108.04464	0.7
109.06503	1.0
109.10149	1.8
111.05547	0.6
116.07121	0.6
117.07015	1.4
119.08574	1.8
121.06509	1.1
121.10161	2.3
123.04420	1.1
125.05997	0.7
127.03794	2.3
131.06580	0.5
133.10162	0.7
135.08084	0.7
135.11703	6.9
137.05975	1.5
140.09445	0.7
145.10133	4.9
149.01180	0.8
163.11195	11.5
179.21527	0.5
181.12236	2.1
186.06531	1.6
187.07376	0.7
227.12785	17.0
241.02188	0.7
241.04942	0.8
241.17015	0.7
251.08632	2.1
268.61008	0.6
271.17990	0.8
272.18402	1.9
283.15411	34.2
297.03949	1.2
300.17670	0.7
317.08478	6.7
317.18704	1.9
318.18985	4.8
349.12601	1.4
358.74414	0.6
462.16666	0.8
480.18704	0.8
480.29984	0.9
481.16846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3378
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03938	2.3
55.01862	2.6
55.05510	19.2
57.03432	2.9
57.07059	2.7
59.04988	0.8
65.03938	1.0
67.05502	25.7
69.03417	1.3
69.06723	1.3
69.07068	18.6
71.03963	1.9
71.04990	2.1
71.32835	0.6
72.08492	0.7
79.05063	1.2
79.05491	17.3
81.03419	5.1
81.07055	44.6
82.07357	1.2
83.01332	1.0
83.04975	2.3
83.08624	10.5
85.02910	1.2
85.06533	3.3
86.09493	0.7
91.05479	17.8
93.07042	13.3
95.01308	1.0
95.04964	6.9
95.08605	27.1
96.43981	0.8
97.06526	5.2
97.10174	7.6
99.00819	7.1
99.04440	3.1
99.08083	1.7
103.05466	1.2
105.07033	14.1
107.04948	3.3
107.08588	7.7
107.68939	0.7
109.06513	3.5
109.10153	10.8
111.08072	1.5
113.02386	2.0
115.05441	1.8
117.01842	2.1
117.07021	7.1
119.08564	8.6
121.06510	2.5
121.10136	6.2
123.04424	0.9
123.08062	2.8
123.11713	5.1
125.05982	0.9
125.09614	2.2
128.06201	2.0
129.06995	8.8
131.08565	12.2
133.06490	2.8
133.10129	6.1
135.04422	1.2
135.08038	2.5
135.11674	1.6
137.05951	1.7
137.09523	1.2
137.13223	2.4
141.06995	2.8
142.07729	1.8
143.08548	7.0
145.06439	1.6
145.10129	5.5
147.08018	1.8
147.11664	4.4
149.06001	2.3
149.09604	3.3
149.13245	2.1
151.07555	1.0
153.05489	2.6
155.07158	1.4
155.08568	4.9
157.06548	0.9
157.10155	3.8
159.08049	1.7
159.11736	4.0
161.05988	1.5
161.09598	1.6
161.13225	1.0
163.03957	2.0
163.07556	2.0
163.11147	2.5
165.12776	1.3
167.08546	1.4
169.10121	2.3
171.08040	2.7
171.11743	2.1
173.09734	0.8
173.13229	1.7
175.07564	2.1
175.11163	2.0
177.05487	3.9
177.09103	1.3
177.12718	1.9
181.04964	13.4
181.10173	2.2
183.06473	3.6
183.07957	1.1
183.11659	1.7
185.13229	2.1
185.25133	0.8
187.11140	0.8
189.09099	12.8
189.11116	1.3
189.12776	1.4
191.07045	2.0
193.12276	1.9
195.06529	27.1
195.11678	2.3
197.13284	2.3
199.11188	1.0
203.10622	2.5
205.08624	2.1
205.12352	0.9
207.06494	1.8
209.08105	13.1
209.13266	1.5
211.11290	0.9
211.13199	1.5
215.14375	1.2
217.15929	1.5
218.11736	0.9
219.13754	1.0
221.08194	1.1
221.13246	1.6
223.09650	17.4
223.11668	1.5
223.14717	1.5
227.12659	1.2
233.15388	1.1
235.09613	3.1
237.11182	17.0
239.14288	1.5
249.11229	10.4
251.12790	5.1
253.15868	1.3
257.15350	1.7
263.12827	4.1
265.14319	2.0
267.15900	1.4
271.17023	1.1
277.14273	1.3
279.15881	1.4
291.15808	1.4
293.17517	2.0
305.17395	1.1
307.19022	4.5
319.18942	2.9
323.23651	1.2
333.21765	1.5
341.24817	1.9
343.22568	1.4
351.23193	6.7
354.02878	0.9
359.25873	1.1
361.23688	1.6
369.24203	6.4
387.25269	5.7
405.26535	1.5
443.32343	6.0
461.32776	100.0
462.33124	7.9
479.28217	3.1
479.33521	16.2
480.34308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25467	2.7
53.03937	3.8
55.01869	8.7
55.05508	42.0
57.03436	6.9
65.03937	3.2
67.05502	81.6
69.07065	32.6
69.69726	10.5
69.70155	10.1
70.07413	2.7
71.04977	7.5
72.74458	2.6
79.05493	62.6
80.12126	3.0
81.03413	6.4
81.07055	78.7
82.43584	2.6
83.04973	9.8
83.08609	27.5
85.06531	5.1
87.51779	2.9
91.05476	100.0
91.43118	2.7
93.07043	63.2
95.04964	22.3
95.08601	46.6
97.06512	11.9
97.10173	12.5
103.05469	8.6
105.07029	58.1
107.04963	20.0
107.08590	31.0
109.06509	12.3
109.10160	16.5
111.08088	7.3
115.05470	4.1
116.06218	3.8
117.07017	45.6
119.04879	5.6
119.08575	37.4
121.06481	9.4
121.10144	19.8
123.08036	7.4
123.11737	6.0
125.09562	5.6
127.36101	2.6
128.06206	12.5
129.07007	49.5
131.04958	4.6
131.08566	77.6
133.06503	9.1
133.10133	20.4
135.04372	3.8
135.08049	7.2
135.11702	9.0
137.09586	5.6
139.11125	5.0
141.06976	19.5
142.07739	4.9
143.08568	36.3
145.06485	14.4
145.10109	24.7
147.08073	13.0
147.11685	10.3
149.09630	10.2
149.13219	6.5
151.11127	3.1
153.06932	5.6
155.08551	27.0
157.06503	5.8
157.10110	23.6
159.08067	9.6
159.11644	17.8
159.78595	3.2
161.09637	8.7
161.13194	4.1
163.03893	7.3
163.11125	3.7
165.06987	4.7
167.08511	15.5
168.09288	3.3
169.10107	20.7
171.08020	4.1
171.11668	15.2
173.09669	5.1
173.13284	5.6
175.11179	5.8
177.12758	8.2
177.73277	2.9
179.08571	7.7
181.08673	2.7
181.10088	14.3
183.08025	2.7
183.11676	10.7
185.13205	9.6
187.11163	4.1
187.14804	4.7
189.09071	3.0
189.12773	4.5
191.14345	2.9
193.10124	4.9
193.12164	4.3
195.06546	4.0
195.11676	14.6
197.13284	12.2
199.14828	6.5
201.12805	3.8
203.12573	3.2
203.14281	5.3
207.11710	6.3
209.07982	3.7
209.13284	9.6
211.14810	5.3
212.08635	3.3
217.15919	2.9
219.13965	3.4
221.13249	11.3
223.14902	11.9
225.16461	4.3
229.16002	3.4
231.14052	3.7
233.15361	4.9
235.14720	6.8
237.11108	3.6
239.14304	11.0
243.13852	3.5
245.15303	3.3
247.17015	3.0
249.11240	3.2
257.15298	8.2
259.17072	3.2
271.16940	8.0
274.32251	2.9
285.18527	3.2
323.23572	6.6
325.48456	3.2
333.21951	15.5
341.24792	13.6
351.23105	50.8
369.24216	59.0
387.25266	32.3
425.26843	3.8
443.27866	11.5
447.18265	15.0
461.28021	17.3
479.30374	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33047	2.2
53.03948	16.3
55.01865	11.2
55.05510	40.8
57.03183	4.0
57.03436	51.4
57.07068	5.8
57.18590	2.7
60.82030	2.1
61.02919	4.2
61.39878	2.3
65.03939	5.2
66.07900	2.5
67.05503	96.6
69.03426	59.3
69.07069	29.5
71.01343	8.8
71.04994	13.7
73.00463	2.2
73.02907	10.1
75.04475	4.6
79.00894	2.8
79.05491	67.8
80.55190	2.3
81.03416	50.8
81.07053	100.0
83.04985	18.9
83.08620	17.8
83.09029	2.9
85.02900	31.1
85.06532	5.3
87.04463	6.7
91.04897	3.9
91.05473	80.5
93.07042	79.2
95.04973	28.5
95.08604	66.9
97.02871	18.6
97.06537	13.2
97.10171	7.0
98.21503	6.8
99.04457	17.5
99.08072	3.4
103.03941	11.0
103.05454	2.3
105.07026	63.2
107.04935	12.5
107.08595	49.0
109.02882	19.0
109.06509	11.5
109.10149	31.1
111.04429	8.8
111.08109	5.3
115.03925	5.3
115.05389	5.6
117.05491	2.9
117.07014	33.2
119.04934	3.3
119.08572	51.7
121.06498	9.2
121.10138	32.0
123.04453	3.8
123.08060	10.6
123.11671	8.8
125.09639	6.0
127.03897	25.7
128.06223	6.0
129.05487	11.1
129.06996	19.8
131.04976	3.2
131.08568	48.5
133.06494	8.6
133.10127	38.9
135.04341	3.3
135.08070	8.9
135.11696	15.6
137.05972	6.2
137.09624	4.8
139.07481	3.4
141.06985	8.6
142.07779	4.3
143.08568	18.1
145.04971	10.4
145.06470	9.5
145.10130	30.5
147.08054	9.9
147.11679	24.9
149.06000	4.9
149.09637	6.1
149.13231	12.4
151.11142	5.3
155.08553	9.9
156.09351	3.3
157.10130	17.3
159.08003	7.9
159.11682	28.7
161.09598	6.7
161.13264	12.1
163.11165	3.6
163.14804	3.9
165.12813	4.0
167.08458	4.1
169.10123	7.7
171.07970	3.2
171.11714	14.1
173.09641	6.3
173.13248	21.6
175.07558	3.7
175.11232	8.0
175.14839	9.9
177.12769	3.9
179.10609	2.8
181.10152	5.5
183.06540	8.7
183.11700	9.5
185.09587	6.6
185.13217	10.4
187.11237	5.2
187.14832	8.3
189.11266	2.9
189.12776	3.0
191.14331	3.3
193.12234	4.9
195.11734	3.6
197.09557	2.6
197.13266	7.5
199.11304	2.7
199.14807	8.5
201.07561	3.2
201.09221	4.4
201.12753	4.2
203.10696	4.2
203.14276	4.7
207.11810	3.1
209.13266	4.9
211.14891	3.3
213.12772	2.6
215.14258	2.7
217.12370	4.2
217.15863	3.8
223.14922	2.7
227.14317	2.9
239.14304	2.7
241.19690	3.2
243.21278	2.8
259.20547	6.5
261.22156	8.3
271.20496	4.2
273.22122	9.0
275.23837	4.1
283.20331	3.4
285.22104	6.5
289.21472	3.0
299.23669	3.9
303.04889	3.0
303.23196	9.0
309.22256	3.8
315.23044	7.5
317.24576	3.6
323.23758	5.7
325.21454	3.5
327.23212	8.3
335.25723	6.5
339.22913	3.8
341.24744	6.4
343.22809	3.3
345.24081	7.8
351.23059	11.9
359.26010	4.0
369.24185	28.9
387.25293	18.0
405.26141	4.6
422.16949	2.7
425.26727	3.6
431.27893	3.4
443.27951	20.8
461.29037	42.4
479.29980	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	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.6
55.01856	12.6
55.05510	32.9
57.03440	28.7
57.07074	6.1
58.66084	3.4
65.03935	8.0
67.05504	100.0
68.05840	3.4
68.15859	3.4
69.03442	32.0
69.07063	29.1
69.69724	20.7
69.70148	4.8
71.01345	5.7
71.04976	11.3
73.02894	4.7
78.70454	3.3
79.05490	71.4
81.03417	38.7
81.07053	97.7
83.04974	10.2
83.08620	15.7
85.02906	14.1
85.06556	7.1
91.05482	70.3
93.07044	74.7
95.04975	24.5
95.05463	3.9
95.08604	54.6
97.02885	15.2
97.06522	15.1
97.10165	10.1
99.04442	8.1
99.53183	3.9
101.49116	3.6
103.03954	4.8
105.06390	6.6
105.07030	70.1
107.04951	8.9
107.08587	35.6
109.02874	12.9
109.06516	9.1
109.10177	18.6
111.04430	11.3
111.08085	5.8
117.07009	31.5
119.08581	36.2
121.06509	11.2
121.10127	33.0
123.04396	9.8
123.08065	7.0
123.11698	8.6
125.09624	5.4
127.03960	9.6
128.06230	6.1
129.07004	23.3
131.08562	39.1
133.06499	11.4
133.10146	27.0
135.08038	11.4
135.11699	17.0
137.09657	4.4
141.07025	8.0
142.07780	6.2
143.08569	20.2
145.06453	6.5
145.10130	27.7
147.08038	11.4
147.11722	17.7
149.05907	4.4
149.09622	7.1
149.13240	12.2
155.08556	14.4
157.06508	4.1
157.10162	21.1
159.08008	6.5
159.11665	18.8
161.09555	6.1
161.13258	9.1
163.11186	7.6
165.12663	4.0
169.10133	7.5
171.11710	11.4
173.09622	8.9
173.13252	11.4
175.11275	9.2
175.14856	6.8
177.12755	5.7
181.10115	5.1
183.06511	5.7
183.11685	8.0
185.09573	4.8
185.13255	11.2
187.14835	5.9
189.12691	4.7
193.12273	9.7
195.11725	4.4
197.13307	5.8
199.14865	4.1
201.12697	8.4
205.12344	5.2
209.13278	6.5
211.13112	6.6
211.14909	5.7
225.12727	4.3
261.22052	4.3
315.23239	6.8
315.89508	3.6
317.96570	3.6
323.23599	4.2
327.23251	4.5
341.24768	8.0
351.23099	18.3
359.25671	6.4
369.24237	24.8
387.25250	15.4
405.26385	4.4
431.27823	5.8
443.27835	23.3
449.29062	4.9
461.29025	37.9
479.30002	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38601	0.7
53.03939	1.1
55.01865	1.5
55.05510	1.8
57.03439	1.6
61.02928	2.9
67.05502	2.8
69.03430	7.9
69.07069	1.5
70.06579	1.0
70.06900	2.9
71.04972	2.2
73.02897	1.9
79.05498	2.7
81.03424	4.2
81.07056	2.7
83.04998	0.8
83.06103	7.4
83.08607	1.2
85.02914	13.2
85.03414	0.7
87.04451	2.1
91.03931	1.2
91.05476	3.2
93.07049	2.7
95.04967	1.2
95.06095	1.2
95.08591	3.6
97.02869	6.3
97.10152	0.8
99.04439	2.6
105.07038	2.5
107.04951	1.0
107.08596	3.2
109.02896	3.9
109.06506	1.1
109.10151	2.1
111.05560	21.4
111.09196	5.7
112.06322	1.7
117.06991	1.4
119.08591	1.8
121.10175	2.0
123.04397	1.0
123.09200	2.3
125.07110	8.5
127.03943	4.9
127.04778	0.8
131.08545	1.7
133.10139	1.4
135.04446	1.5
135.08063	1.2
135.11682	2.4
137.06000	1.2
137.07059	1.4
139.08618	5.1
140.09439	16.7
140.10561	0.9
145.04955	1.6
145.10147	1.8
146.07310	1.1
149.09558	1.1
151.07466	0.7
159.08025	1.5
161.09608	2.8
163.03923	1.3
163.11194	2.5
165.09114	1.1
177.09099	1.9
189.09145	1.5
197.10835	2.2
199.12329	3.5
212.13118	1.9
213.13857	3.9
219.54555	0.8
225.13919	5.6
227.12733	3.0
231.13818	1.0
239.15190	0.9
240.16229	11.8
241.16954	14.6
243.14919	1.0
253.16963	2.9
271.18045	36.1
283.15427	3.7
299.17502	19.6
317.06625	1.8
317.18579	100.0
318.18933	3.7
340.45166	0.9
433.23227	6.9
461.16217	1.3
461.22586	2.0
479.17947	2.0
479.23935	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03947	0.9
55.01876	1.1
55.05505	1.2
57.03442	1.4
59.05019	0.7
61.02924	1.6
67.05508	1.3
68.95353	0.5
69.03430	6.5
69.07079	1.1
69.53538	0.6
70.00438	3.2
70.06596	1.4
71.04994	0.7
73.02924	0.8
77.49226	0.5
79.05503	2.4
81.03419	5.0
81.07066	2.1
83.08636	0.8
85.02910	10.2
86.09706	1.5
89.78742	0.5
89.89001	0.5
91.03988	1.0
91.05487	1.6
92.02625	0.9
93.03401	0.9
93.07055	1.8
95.04986	2.3
95.08633	1.6
97.02899	3.9
97.10199	0.7
99.04494	0.6
105.07027	1.1
107.04967	1.7
107.08609	1.5
109.02901	2.3
109.06494	0.8
109.10177	0.6
110.88373	0.5
114.05533	0.7
119.08588	1.0
120.08163	1.3
121.02863	1.4
121.06511	0.9
121.10132	1.2
123.04478	1.3
127.03970	2.7
131.08574	1.2
133.10150	1.0
135.04411	0.6
135.11707	0.9
137.05977	1.4
139.03915	0.8
143.08549	0.8
145.04961	1.2
147.04361	0.7
147.11642	0.5
149.09578	0.6
151.03893	1.4
153.01820	8.6
160.19476	0.5
161.06056	0.6
163.03905	36.1
165.01949	0.6
177.05453	0.9
177.16359	0.8
179.03406	0.5
181.04961	37.2
193.12270	1.8
203.03397	1.1
206.15471	0.8
213.05452	0.6
217.04915	1.2
228.04227	1.8
229.04973	2.4
245.04482	1.6
245.31633	0.6
246.05280	1.4
257.04507	2.4
267.16025	1.5
273.03973	2.3
274.04718	3.6
281.08176	4.4
285.04022	3.7
285.17047	1.3
299.09149	5.8
302.00836	0.9
302.04224	13.9
312.40585	0.6
317.06577	100.0
318.06934	2.1
326.56882	0.8
378.57727	0.6
395.23288	0.7
443.23740	0.8
461.24838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42702	14.1
69.50475	15.2
69.87522	24.1
69.87934	65.3
81.64264	15.3
94.93012	50.6
114.89381	20.9
136.94025	90.0
148.93970	19.5
166.95081	60.4
167.41057	15.6
196.95177	35.0
214.96272	19.7
215.00018	21.2
221.74800	16.3
248.89568	57.3
256.98077	28.9
275.12387	15.5
381.08087	100.0
398.87958	17.4
419.03467	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	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01863	1.1
55.05509	6.5
57.03454	1.3
60.88472	0.9
62.06085	1.4
65.41155	0.7
67.05504	8.7
69.03436	2.1
69.07069	5.9
79.05499	2.5
81.03434	1.3
81.07056	9.4
83.08617	2.6
85.05295	2.3
91.05469	1.9
93.07040	2.8
95.08604	4.9
98.06056	12.2
98.98473	2.8
105.07048	1.9
107.08614	1.8
109.10152	2.3
112.07607	1.6
117.07012	0.9
119.08567	2.6
121.10161	1.0
131.08568	1.0
133.10144	0.8
140.10815	1.0
147.11765	1.0
159.11716	0.9
199.58871	0.8
306.27890	100.0
307.28271	3.8
337.27197	0.9
479.29913	1.4
499.39941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.50217	0.5
53.03944	1.2
55.01858	1.1
55.05269	1.0
55.05514	13.8
57.03193	0.7
57.03445	8.7
57.07061	2.4
62.06059	0.6
64.33685	0.5
65.03918	0.9
67.05507	28.1
69.07069	17.7
69.65414	2.2
69.65847	2.2
71.08610	1.1
72.46542	0.6
79.05489	7.4
81.06583	1.4
81.07060	27.7
83.04980	1.1
83.08629	8.1
85.06519	0.9
91.05482	4.2
93.07049	7.9
95.04946	0.7
95.08611	21.6
95.09226	1.1
97.06525	1.5
97.10175	3.7
98.06052	1.9
98.20815	0.9
98.98448	0.9
105.07031	4.5
107.08603	4.5
109.10159	8.0
111.08067	1.0
111.11701	1.0
115.66230	0.6
115.85381	0.6
117.07019	0.7
119.08592	3.0
121.10146	2.9
123.11700	2.8
131.08566	0.7
133.10173	2.9
133.57396	0.6
135.11690	2.2
137.13219	1.4
147.11653	1.4
161.13248	0.9
171.95657	0.6
175.14815	1.1
216.06400	0.9
263.23767	1.3
306.27933	20.3
337.27374	100.0
338.27713	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	478.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.05505	10.5
57.07079	2.8
67.05490	6.5
69.03422	1.8
69.07061	14.6
69.29106	18.9
70.06573	5.6
72.08137	2.2
79.05473	7.1
81.07064	13.9
83.08640	12.1
83.17471	1.6
85.02904	5.7
91.05476	6.5
93.07053	21.2
95.08601	48.2
97.02884	4.4
97.10173	4.0
105.01853	6.2
105.07020	8.7
107.08589	46.6
109.10166	14.5
116.10732	4.7
121.10143	85.6
123.11699	28.3
125.09604	2.1
127.03924	4.3
135.11681	13.6
137.05975	2.2
137.13252	20.0
139.11179	6.6
143.54523	1.8
145.04939	2.3
149.13219	7.9
165.09105	2.7
176.22757	1.8
177.16388	100.0
178.16631	2.0
195.17455	17.0
231.05011	1.8
255.80266	1.7
278.65073	1.8
299.58444	1.9
374.51599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01860	4.5
55.05510	9.7
57.03429	3.2
57.07078	1.6
61.02915	3.1
67.05512	7.2
68.99736	1.6
69.03427	19.5
69.07066	14.8
69.95792	6.9
70.06586	1.7
71.04993	3.4
73.02921	2.2
79.05485	5.8
81.03410	13.0
81.07060	14.5
83.08620	10.5
85.02903	49.4
87.00836	18.2
91.05476	4.5
93.07039	21.5
95.08607	40.8
97.02890	15.8
97.10181	4.3
99.04448	6.7
105.01872	27.9
105.07046	6.5
107.08594	46.1
109.02873	14.7
109.10156	9.7
116.83776	1.2
119.08594	2.3
121.10140	71.3
123.11731	3.0
127.03915	30.2
135.11681	18.4
136.03897	1.3
137.13245	10.8
145.04955	14.6
145.06088	1.8
149.13239	6.1
159.02875	7.0
177.16383	100.0
178.16640	1.8
189.04068	1.6
195.17426	18.3
231.04962	5.9
249.06142	2.7
261.43494	1.4
295.62103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33102	0.8
53.03928	1.0
55.01871	1.8
55.05514	5.6
57.21323	1.0
59.05256	0.8
65.03911	1.0
67.05498	5.3
67.40291	0.8
69.03416	2.6
69.07058	3.4
70.06576	3.1
71.04977	2.6
71.58862	1.4
71.59251	1.0
72.72407	0.9
79.05492	16.6
80.45257	1.0
81.03407	2.6
81.07056	21.9
82.07373	1.2
83.04977	3.3
85.02870	1.3
85.06535	3.0
91.05467	10.7
93.07043	42.8
93.46174	0.9
95.04449	1.0
95.04962	5.8
95.08611	8.7
97.02851	1.0
97.06533	4.8
99.04450	10.0
101.06047	2.3
105.07027	18.7
107.04942	7.4
107.08589	21.4
109.02878	1.5
109.06520	17.5
109.10158	3.0
111.04428	1.0
111.08073	2.5
113.06039	1.5
116.10726	1.8
117.07022	2.6
119.08583	14.7
121.06503	25.7
121.10136	4.9
122.06011	2.2
123.04400	1.4
123.08066	4.0
125.05952	1.8
127.07561	7.5
128.06192	1.3
129.07014	3.2
131.08572	6.8
133.06496	4.0
133.10117	10.1
135.04428	6.3
135.08052	15.1
135.11684	3.2
137.05948	5.7
137.09648	4.9
139.07544	2.2
141.06960	1.3
142.07686	2.4
143.08566	7.9
145.06447	2.0
145.10126	9.1
147.08012	4.0
147.11693	25.7
151.07524	5.6
153.09087	3.9
156.09386	2.6
157.10146	12.1
159.08031	1.2
161.05931	1.5
161.09605	2.0
161.13283	5.3
161.14432	0.9
163.07608	1.2
163.11150	2.7
163.75365	0.9
165.09119	2.2
166.07733	1.3
166.09612	0.9
171.08080	1.2
171.11691	17.7
173.09616	6.2
173.13261	2.5
175.11188	15.2
181.10127	1.9
184.08986	1.1
189.09160	2.2
189.12738	16.7
191.10678	2.3
193.12270	3.3
199.11174	15.8
201.50871	1.0
207.13808	20.4
217.12251	47.0
218.12613	1.1
230.25513	1.0
235.13289	100.0
253.14352	30.2
321.13397	2.0
339.14465	7.5
386.24167	1.6
460.27618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35194	0.6
55.01863	1.0
55.05497	0.6
67.05494	1.3
69.03417	1.6
69.44087	1.6
69.44478	6.1
70.06583	1.0
71.32470	0.8
79.05479	3.1
81.03424	0.9
85.02904	1.6
86.09683	0.8
88.09744	0.7
91.05466	5.2
93.07024	0.8
94.04192	1.8
95.04948	1.7
95.08659	0.7
97.02886	3.3
105.07057	1.2
107.04951	33.0
109.02892	1.2
115.05399	0.9
117.07053	0.9
118.04199	1.3
119.04944	4.9
120.05725	17.0
121.06501	2.0
123.04434	1.3
124.05156	1.5
127.03837	1.0
131.04918	10.3
132.05719	1.3
133.06477	4.0
135.04436	5.2
135.08051	2.0
136.05214	9.7
137.05962	2.8
139.07545	1.1
145.06454	1.9
147.04396	9.2
149.05980	3.6
150.06721	1.8
151.03909	0.8
151.07559	1.5
152.04689	6.0
153.05525	3.8
157.06509	0.9
159.04370	0.8
159.08083	1.0
161.05945	0.7
163.03918	10.0
163.07547	1.8
164.04688	16.3
165.05499	5.9
166.06270	1.5
167.07056	1.6
173.05902	1.7
176.04630	3.2
177.05470	5.8
178.06270	5.1
179.07036	27.5
180.07417	0.7
181.04959	5.4
183.08080	1.2
185.05933	1.3
187.07545	1.0
189.05446	1.9
191.07008	2.9
192.07761	5.1
194.07256	0.9
196.07300	11.6
197.08093	29.6
203.07037	1.5
209.08099	2.4
210.08827	9.7
211.07521	1.5
222.08713	0.8
225.09138	1.0
230.09241	1.0
239.06969	1.8
239.10799	1.0
249.09059	0.9
253.08607	3.3
255.10075	1.7
265.08551	1.4
266.09402	2.3
267.06888	0.8
267.10165	4.1
271.09714	2.2
281.11682	4.6
283.09662	9.2
284.10272	3.7
285.11200	2.3
297.11298	2.5
298.11960	4.5
299.12805	2.9
316.13055	100.0
317.13400	2.8
396.13150	0.7
478.20502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01873	8.9
55.05501	0.9
57.03437	4.9
58.99580	1.2
61.02925	4.0
63.53145	0.8
68.99783	2.1
69.03428	20.1
70.83292	1.9
70.83633	0.8
71.04992	4.2
73.02911	5.6
81.03414	19.8
81.07029	1.3
83.77644	0.6
84.04491	2.9
85.02901	54.5
85.94486	0.8
87.00822	21.5
87.04464	1.2
91.03950	1.5
91.05516	1.1
93.64883	0.7
95.04952	0.8
96.04494	3.3
97.02891	19.2
99.04436	10.2
104.44424	0.7
105.01865	16.3
108.04455	2.0
109.02876	19.9
110.16304	0.7
114.14400	0.7
115.03883	0.9
116.01671	1.0
117.01839	3.2
119.04958	1.9
123.04426	0.7
125.05979	2.4
127.03912	33.0
129.01836	2.9
130.05035	1.1
135.04448	1.6
136.03943	2.7
137.05962	0.9
141.05409	0.8
145.04958	12.4
147.02957	1.7
147.04405	4.4
153.05458	100.0
154.08618	3.2
156.06526	0.7
156.08466	0.9
159.02876	12.0
159.04391	4.3
162.03165	0.9
163.03883	1.7
163.07526	0.8
167.07063	1.3
169.04927	0.9
174.09412	1.0
177.05460	32.6
187.03828	0.9
189.03905	2.2
191.07040	2.2
194.11752	1.0
195.06512	26.7
205.05054	1.8
207.06625	1.3
213.04147	1.0
213.07567	23.3
219.03169	1.2
219.06520	16.7
220.03302	1.3
229.04842	1.6
231.04906	4.8
236.09167	0.9
237.07552	10.6
237.47498	0.7
238.04314	1.3
243.06560	2.4
259.11240	1.8
261.05136	0.9
261.07559	6.3
279.08643	4.9
285.07202	1.1
303.08640	6.4
331.13153	1.5
334.42273	0.7
384.69025	0.7
407.09714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10480	2.1
53.03931	6.5
55.01852	7.1
55.05512	33.6
56.08088	2.2
57.03420	10.3
57.07053	5.2
65.03910	7.7
67.05504	96.0
69.03456	2.5
69.07060	31.0
69.61674	11.7
69.62078	4.7
71.04991	6.3
73.06545	2.5
73.60349	2.0
79.05492	86.1
81.03391	5.6
81.07057	93.9
81.21804	2.2
82.33283	2.2
83.04967	9.5
83.08625	13.9
83.09044	2.6
85.06529	9.9
91.05481	100.0
93.06477	3.8
93.07046	76.7
95.04961	23.9
95.08607	60.5
97.06519	7.8
97.10174	11.4
103.05479	4.6
105.04554	2.4
105.07029	95.8
107.04934	7.1
107.08590	36.4
109.06503	9.8
109.10143	24.6
111.04458	2.4
111.08104	3.7
115.05425	6.0
116.06205	2.2
117.07010	40.0
119.08578	63.1
121.06498	10.8
121.10139	29.5
123.08051	8.6
123.11704	6.2
125.09579	4.4
128.06209	6.4
129.06996	33.6
131.08566	79.4
133.06482	7.0
133.10127	34.6
135.08032	8.1
135.11691	17.7
137.09636	6.3
139.11154	3.0
141.06960	9.3
142.07739	4.6
143.08568	27.0
145.10127	45.9
147.08073	8.9
147.11690	10.4
149.09605	9.2
149.13248	6.0
151.11224	5.3
155.08563	20.8
157.10110	21.9
159.11671	20.1
161.09567	8.1
161.13242	5.8
163.11174	5.4
167.08554	6.3
169.10089	13.4
171.08093	3.4
171.11688	18.8
173.13274	9.7
175.11148	5.2
175.14755	3.7
177.09172	2.9
177.12694	4.8
181.10078	7.7
183.11635	14.4
185.13290	12.4
187.11139	3.5
187.14842	6.8
189.12674	3.3
191.14258	3.7
195.11728	9.4
197.13263	13.4
199.11336	2.9
199.14832	9.0
201.12781	6.1
201.16554	4.1
203.14374	4.0
205.15939	3.8
209.13208	7.6
211.11261	2.2
211.14799	9.2
213.12752	3.4
213.16425	3.3
215.14191	5.3
221.13361	3.4
223.14836	3.0
225.16379	5.1
227.12566	4.2
227.14478	4.0
231.13858	3.2
233.15347	5.2
237.16293	3.7
241.15837	7.3
243.17354	2.9
245.15341	3.3
247.16946	6.5
255.17357	4.7
259.16922	6.8
261.18576	4.0
263.25854	2.4
273.18399	7.8
275.19763	2.8
287.20203	2.5
307.23932	3.1
325.25259	11.4
335.23480	11.2
343.26202	20.2
353.24725	43.9
357.27814	2.6
371.25732	42.7
385.27429	14.8
389.26898	13.7
403.28455	53.1
424.07788	2.6
427.28296	3.1
439.77020	3.0
445.29733	11.3
477.32175	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	477.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.3
53.03940	5.6
55.01860	6.0
55.05508	38.7
57.03434	12.5
57.07068	2.5
57.37807	2.1
58.00979	2.2
60.45026	2.2
65.03934	3.8
67.05504	94.5
69.03432	3.3
69.07066	38.0
69.63356	17.9
71.04976	6.5
71.69003	2.2
74.97388	2.2
79.05492	77.2
81.03400	7.1
81.07055	90.8
83.04986	7.3
83.08619	18.9
85.06541	10.0
91.05476	94.7
92.05806	2.5
93.07040	74.8
95.04967	18.4
95.08607	57.1
97.06529	8.6
97.10145	7.9
103.05477	5.7
105.07030	100.0
107.04944	13.1
107.08585	45.2
109.06507	10.2
109.10138	19.1
111.08070	5.9
115.05433	7.5
117.07024	43.6
119.08576	54.9
121.06484	12.5
121.10137	24.6
123.08051	7.0
123.11714	5.5
125.06097	3.4
125.09615	5.2
128.06174	6.4
129.07004	29.4
131.08553	62.7
133.06480	3.3
133.10110	30.4
135.08054	4.5
135.11681	19.0
137.09642	5.2
141.06996	9.4
143.08557	28.6
144.09401	2.8
145.06485	3.4
145.10130	39.7
147.08051	8.6
147.11694	14.0
149.09596	7.4
149.13249	6.1
155.08568	16.0
155.09651	3.0
157.10141	17.5
159.08047	3.9
159.11674	22.2
161.09644	4.5
163.11151	16.8
167.08580	5.6
169.10141	14.7
171.11702	15.9
173.09702	2.6
173.13196	6.6
175.11293	3.6
175.14777	2.7
177.12801	3.7
181.10138	15.8
183.11760	11.5
185.09634	2.4
185.13264	8.5
186.89377	3.0
187.11159	5.1
187.14738	5.3
189.11227	2.9
195.11714	4.7
197.13307	11.5
199.11209	3.9
199.14862	3.4
201.12663	5.7
201.16295	3.4
209.13393	5.5
211.14819	7.4
213.12894	3.6
215.14203	3.8
217.15996	3.0
223.14693	4.2
225.16426	4.7
227.12688	26.0
233.15349	6.7
247.16931	4.4
259.16940	4.0
261.18567	6.5
269.15207	2.6
273.18491	5.0
293.18936	2.8
295.86679	2.6
325.25162	17.9
335.23755	10.9
343.26297	18.9
353.24744	43.9
357.27985	2.7
371.25766	37.9
385.27560	15.3
389.26947	14.2
403.28470	39.1
427.28467	4.0
445.29565	16.8
459.31592	3.1
477.33127	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.3
55.01861	5.2
55.05517	38.5
57.03448	16.9
57.07080	3.5
62.67413	2.7
63.29979	2.6
65.03925	4.8
65.19600	3.0
67.05503	93.8
69.07065	32.6
69.99261	5.7
69.99667	10.7
71.04975	5.0
79.05071	3.9
79.05492	65.9
79.71305	2.6
80.87891	2.9
81.03402	6.6
81.06583	5.2
81.07052	86.4
83.04968	7.9
83.08619	17.7
85.06528	9.4
91.05479	99.4
93.07040	77.4
95.04964	18.3
95.07988	3.2
95.08598	59.9
97.06519	9.9
97.10147	8.8
103.05453	6.3
105.07027	100.0
107.04951	10.7
107.08591	31.9
109.06504	10.7
109.10165	16.4
115.05450	5.8
116.06243	3.1
117.07009	44.2
119.08588	60.6
119.78366	3.0
120.22343	3.0
121.06467	10.5
121.10132	25.4
123.08054	6.5
125.09625	3.4
128.06224	9.0
129.06998	39.3
130.07780	3.2
131.08563	69.8
133.06479	5.3
133.10127	34.3
135.08044	10.7
135.11681	12.4
137.09578	5.2
141.06956	11.9
142.07680	3.4
143.08565	35.2
145.06474	6.5
145.10123	49.0
147.08057	9.5
147.11670	11.6
149.09592	8.3
149.13278	7.5
151.11041	3.6
155.08549	17.0
157.10120	23.8
159.08104	3.3
159.11703	22.5
161.09586	5.0
161.13246	8.3
163.11171	5.0
167.08437	5.7
169.10127	21.0
171.11661	17.0
173.09573	4.4
173.13281	8.5
181.10107	9.5
183.11656	16.4
185.09641	4.4
185.13272	10.8
187.11259	3.7
187.14833	4.5
189.12732	3.5
195.11700	6.4
197.13245	10.4
199.11205	4.9
199.14813	10.7
201.12724	5.3
207.13840	3.1
209.13281	6.0
211.14832	7.1
215.14296	5.9
219.13808	3.1
223.14781	5.7
225.16270	4.6
233.15311	6.4
237.16322	3.0
241.15887	3.8
247.16882	8.8
255.17349	5.2
259.16946	3.2
261.18423	5.4
273.18475	5.0
307.24374	3.4
325.25134	8.8
335.23590	10.1
343.26212	17.0
351.33646	3.3
353.24704	39.4
371.25821	42.6
385.27731	14.6
389.26682	12.1
403.28323	45.1
445.29523	15.6
459.30774	3.9
477.32574	28.5
478.32996	3.6
501.18829	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	477.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.7
53.03955	7.0
55.01869	10.2
55.05515	49.0
57.03438	11.3
57.07071	3.7
57.10616	2.1
59.04993	3.7
65.03928	5.1
66.76469	2.1
67.05506	95.2
69.03414	2.6
69.07069	33.8
69.25486	29.4
71.04993	5.1
79.05138	1.8
79.05493	72.9
81.03413	8.2
81.07056	92.6
83.04974	7.0
83.08619	26.6
85.02921	2.4
85.06551	10.3
86.15391	2.4
90.05630	2.3
91.05481	100.0
93.07046	82.2
95.04981	23.2
95.08605	55.9
97.06501	11.1
97.10177	13.3
98.21541	5.0
103.05470	4.0
105.07030	93.3
107.04952	9.9
107.08598	36.1
109.06509	11.9
109.10149	21.7
111.08078	5.5
115.05460	7.3
115.38212	2.3
116.06229	3.4
117.07024	38.6
119.04980	3.5
119.08578	56.0
121.06508	10.9
121.10134	30.6
123.08070	7.3
123.11726	7.0
125.09636	9.1
128.06250	8.7
129.07007	29.1
130.07790	3.4
131.08566	71.0
133.06529	6.8
133.10150	35.0
135.08064	8.9
135.11662	13.6
137.09641	6.1
141.07004	11.0
142.07761	5.0
143.08569	30.2
145.06514	8.2
145.10123	49.1
146.74098	2.3
147.08063	9.8
147.11688	10.7
149.09665	10.2
149.13319	4.6
151.11217	3.7
152.61710	3.4
153.85582	2.2
155.08537	17.3
157.10132	20.9
159.08104	4.4
159.11707	19.4
161.09644	5.8
161.13199	4.7
163.11240	8.2
167.08575	4.9
169.10156	14.0
171.08070	3.4
171.11662	12.8
173.09576	4.0
173.13280	10.1
175.11200	2.6
175.14850	2.9
177.12640	3.1
181.10173	6.1
183.11710	6.8
185.13266	8.2
187.11145	3.1
187.14851	8.6
189.09479	2.5
189.11226	5.9
189.12787	2.7
189.16420	2.6
193.12253	3.4
195.11716	8.2
197.13181	12.8
199.11198	3.1
199.14888	6.7
201.12856	5.8
209.13229	7.0
211.14885	6.6
213.12740	4.3
215.14444	7.7
219.13792	3.4
223.14938	4.6
225.16287	5.2
227.12569	4.8
227.14520	3.9
227.17633	2.5
233.15359	13.0
235.16937	3.9
243.17496	4.4
245.15398	3.1
247.16934	4.1
255.80991	2.4
259.16980	5.1
261.18570	5.3
271.16922	2.4
273.14789	2.8
306.27866	6.6
307.24072	2.7
325.25241	8.2
335.23715	15.7
343.26282	13.1
349.21530	3.3
353.24768	33.3
354.25479	3.3
367.22754	7.5
371.25812	34.9
385.23404	6.0
385.27921	12.3
389.26840	8.9
403.28632	40.1
404.28769	3.0
445.29556	10.1
459.27255	7.1
477.26996	4.8
477.31882	33.7
477.39236	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.0
51.43657	2.5
53.03950	13.2
55.01857	10.8
55.05503	41.9
57.03433	14.1
65.03917	5.2
67.05502	94.7
69.03423	4.5
69.07063	27.2
71.04974	7.6
71.58884	4.2
79.05488	80.9
81.03406	11.7
81.07053	100.0
83.04974	16.3
83.08623	20.4
85.02915	4.0
85.06538	7.7
89.08546	2.6
91.05479	83.8
93.06473	6.3
93.07040	85.1
93.07625	4.6
95.04960	27.7
95.08600	60.9
97.02891	3.9
97.06515	15.9
97.10160	14.3
99.04462	2.5
103.05498	3.5
104.28670	2.5
105.07028	68.5
107.04958	17.1
107.08591	58.1
109.06510	9.3
109.10147	16.9
109.10815	2.9
111.04450	4.2
115.05429	8.1
117.07007	42.9
119.08574	45.7
121.06516	16.6
121.10140	32.3
123.08073	5.8
123.11737	3.9
125.09634	11.4
128.06244	5.2
129.06979	21.9
131.08562	47.8
133.06436	6.8
133.10118	28.0
135.08037	9.1
135.11707	30.2
137.09573	4.9
141.06929	8.2
142.07787	3.4
143.08589	21.9
145.06444	5.9
145.10117	35.9
147.04439	3.5
147.08028	7.2
147.11664	9.7
149.09549	6.5
149.13251	10.7
153.12723	5.2
155.08542	12.4
157.10112	15.6
159.11674	18.0
161.09575	3.7
161.13202	5.3
163.11169	40.7
167.08548	6.0
169.10127	8.8
171.08102	3.9
171.11674	10.0
173.09615	4.9
173.13199	6.6
175.11182	5.4
177.12729	5.3
181.10175	4.0
181.12126	6.8
183.11725	6.3
185.13181	5.3
187.11145	3.9
187.14902	3.6
189.11194	6.6
189.12794	3.9
191.10571	3.3
193.12152	3.2
195.11743	7.5
195.13895	2.9
197.13268	5.2
199.14839	3.9
199.62865	2.7
202.25902	2.5
209.11624	6.4
211.14825	4.8
215.14435	4.3
225.16412	5.0
227.12746	52.4
231.13754	3.9
233.15308	12.3
243.17229	3.0
259.16870	4.9
273.14767	3.7
293.25290	2.7
325.25223	5.2
335.23856	6.6
343.26254	7.2
349.21387	5.5
353.24619	22.1
357.24323	4.0
367.22696	12.0
371.25748	15.8
385.23242	15.7
385.27893	6.1
403.28961	13.5
430.92236	4.1
445.29352	10.8
459.27130	16.4
477.27707	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	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.4
55.01871	20.7
55.05509	86.0
56.58039	3.1
56.69753	2.8
57.03416	9.4
60.44061	3.3
63.96896	2.9
65.03906	3.4
66.85684	3.0
67.05505	63.7
69.03411	10.2
69.07054	14.4
71.04971	4.8
79.05066	5.2
79.05490	77.1
81.03414	16.7
81.06644	4.8
81.07057	55.6
83.04948	6.7
83.08628	41.8
91.05483	50.0
93.07037	36.6
93.07571	5.6
95.04957	23.7
95.08591	20.6
97.06524	8.8
97.10167	63.9
98.21619	5.5
105.07027	28.9
107.04957	50.4
107.08591	39.6
109.06510	14.0
109.10165	12.1
111.08057	7.0
115.05432	3.9
117.07017	21.3
119.08546	17.1
121.06498	28.4
121.10155	9.0
123.04436	3.2
123.08119	15.1
123.11693	3.5
125.05970	6.2
125.09637	49.8
128.06187	3.6
129.06979	15.5
131.04916	7.1
131.08519	21.9
133.06448	13.9
133.10110	9.5
135.08026	12.0
135.11644	5.5
141.07034	7.3
143.08569	11.1
145.06479	28.1
145.10110	10.7
147.04419	8.2
147.08057	15.3
147.11685	15.1
149.09567	8.1
151.11197	3.8
153.09087	10.9
153.12711	4.9
155.08522	9.6
157.06541	7.6
157.10135	9.8
159.08078	8.8
159.11694	4.3
161.06007	6.1
161.09550	4.6
163.11166	4.5
169.10104	7.8
171.08081	7.4
171.11609	7.7
173.09613	6.9
175.11148	6.5
177.12782	3.7
181.10074	7.0
183.11673	3.4
185.13275	4.2
187.11249	5.6
189.11215	32.8
189.12741	6.5
193.12259	12.1
195.11725	3.7
197.09697	5.5
197.13225	4.1
199.11214	7.0
203.14397	4.0
205.12299	4.3
211.13126	4.5
213.12752	3.6
215.14229	9.0
217.12221	6.0
223.11218	4.8
223.13232	6.5
225.12823	4.0
227.12665	6.7
233.15373	20.1
235.13306	6.1
237.12700	7.7
241.14417	4.8
243.13765	3.7
245.15468	7.5
255.13838	5.6
269.15317	4.1
271.16910	4.0
273.14874	26.7
275.16458	4.5
291.15894	5.8
339.23154	11.1
349.21719	27.2
357.24173	11.5
367.22708	66.5
368.23303	3.9
385.23721	100.0
386.24042	7.6
403.24884	24.9
441.26065	8.4
443.19168	3.8
459.27353	50.5
477.28415	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.0
54.25388	5.1
55.01864	23.0
55.05513	86.7
57.03423	18.8
57.07056	10.5
58.57402	5.3
59.04988	5.8
67.05508	92.4
68.99816	5.8
69.03432	41.1
69.07082	33.1
70.54421	9.6
70.54834	16.3
71.04988	10.1
79.05494	87.9
81.03434	48.2
81.07057	100.0
83.04988	47.2
83.08621	46.8
85.02908	19.0
85.06530	18.4
85.07010	5.4
87.00845	6.7
91.05484	65.6
93.07044	75.3
95.04958	44.0
95.08596	43.5
97.02914	8.1
97.06525	18.6
97.10174	54.7
98.20863	7.8
99.04443	5.5
99.08076	10.9
101.09685	4.9
103.05447	6.6
105.07019	51.8
107.04960	60.1
107.08586	66.2
109.02907	10.6
109.06506	25.3
109.10139	54.3
111.04455	11.8
111.08065	11.5
115.05443	10.3
117.07005	34.7
119.04887	9.1
119.08579	33.9
121.06519	39.1
121.10149	26.7
122.70602	5.3
123.04417	10.3
123.08061	20.8
123.11713	19.6
125.09624	53.0
125.32497	5.0
127.03920	10.3
127.11162	7.6
128.06194	9.5
129.06992	21.9
131.04904	7.9
131.08540	28.5
133.06461	16.8
133.10117	36.1
135.08084	16.5
135.11710	26.1
137.05891	9.3
137.09607	10.3
139.11293	5.6
141.06946	6.4
143.08539	15.0
145.06493	19.8
145.10143	26.8
147.08075	13.5
147.11679	16.2
149.06012	44.5
149.09697	7.8
149.13306	12.5
150.06335	18.9
151.03928	10.6
151.07532	11.5
151.11179	8.7
153.09135	17.2
153.12718	11.6
155.57864	4.9
157.06441	8.0
157.10117	12.5
159.08023	9.5
159.11682	10.6
161.06027	7.4
161.09598	9.0
161.13211	6.0
163.11159	16.3
165.09079	14.9
165.12779	6.5
166.06279	5.6
167.14383	13.6
169.10147	6.9
169.12233	38.0
171.08080	8.2
171.11757	8.1
173.09622	9.7
173.13235	5.1
175.11195	7.3
175.14786	5.4
181.04941	6.4
181.12282	7.3
183.01103	21.5
184.01436	14.7
185.13315	6.9
185.15285	9.6
187.11205	8.0
187.14928	7.4
189.09148	6.7
189.11226	28.7
189.12816	8.5
193.12222	25.5
193.15872	10.2
193.62842	6.0
197.02652	13.0
197.13219	9.1
202.02528	5.0
206.02705	9.7
211.13252	9.2
211.16937	75.1
215.14236	9.7
217.12152	6.4
223.12988	9.4
227.12726	11.0
229.18028	82.6
231.13937	7.4
233.15416	18.3
239.07307	6.3
273.14853	25.0
275.16464	6.8
291.75333	6.1
329.12485	8.1
332.23138	5.7
339.23135	7.5
341.12122	6.5
349.21591	27.2
357.24277	9.8
367.22766	54.5
385.23694	99.0
403.24988	29.9
441.26376	14.5
459.27325	53.8
477.28580	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	26.6
61.02930	6.4
66.77709	4.3
69.03076	7.7
69.03426	93.5
69.47920	42.9
77.67663	5.7
81.03400	7.5
85.02907	70.6
87.03991	6.9
87.04475	66.5
97.02899	88.1
98.06095	6.0
115.03930	100.0
127.03924	7.9
133.04968	98.9
133.06509	6.9
137.06024	11.7
145.04932	9.6
150.07617	17.3
165.09108	21.5
201.09143	7.3
328.49896	5.7
429.19843	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	477.139
Annotation	7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside
Peak:m/z	Relative Intensity
53.03939	1.1
55.01867	0.8
55.05500	1.3
57.03437	0.8
61.02921	0.9
67.05491	1.2
69.03429	5.1
70.00745	2.0
71.04984	0.6
73.02907	0.5
77.03951	0.6
79.05493	4.5
81.03423	1.1
81.07045	1.7
81.55086	0.4
83.08630	1.0
85.02907	5.1
87.04433	0.4
89.03896	0.8
90.01910	0.5
91.05473	1.1
93.07043	1.3
95.01288	0.4
95.04938	1.7
95.08595	1.2
97.02896	2.1
97.10151	0.6
99.04469	0.5
100.11261	0.4
105.03384	0.7
105.07033	1.3
107.04984	2.2
107.08627	0.9
109.02827	0.5
109.10149	0.9
119.08594	0.9
121.06576	0.5
121.10131	0.6
123.11773	0.4
127.03921	1.7
128.10721	0.4
131.08606	0.5
133.10117	1.1
134.10439	0.9
135.04404	1.0
135.11728	0.5
137.05988	0.7
137.09572	0.4
145.02844	1.5
145.04922	0.8
147.08070	0.5
151.07516	1.2
161.02338	4.9
163.03908	100.0
164.04254	1.1
165.09062	0.5
175.14818	0.9
176.15114	0.9
180.11754	0.4
181.04959	26.0
182.15437	0.5
191.10715	0.6
191.69604	0.4
205.04941	0.8
211.16895	0.5
253.34428	0.4
297.07578	27.6
298.07977	0.5
315.08624	33.3
385.23746	0.9
459.27271	0.7
477.28070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.6
57.03425	25.4
67.05531	8.1
69.03426	99.3
69.47668	69.0
69.67879	7.3
79.05508	7.6
81.07014	8.0
81.31971	7.3
85.02495	8.0
85.02911	77.2
85.03381	10.8
87.04466	57.5
90.40639	7.2
91.05457	12.7
95.04959	14.1
97.02893	80.4
99.04432	12.0
102.02058	8.0
105.07051	17.4
105.86327	9.2
107.04934	22.1
115.03918	89.9
123.04420	14.8
127.03896	11.2
131.82768	11.6
133.04961	100.0
133.06494	14.9
137.05974	33.4
147.04498	12.9
151.03882	30.5
165.09113	40.2
181.04938	7.5
207.10219	12.7
214.58339	10.1
221.11774	8.1
303.08627	9.5
319.05630	9.0
336.10748	10.0
338.30685	7.4
429.87427	8.1
476.32916	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01864	1.5
55.50166	1.2
57.03438	20.9
57.08089	1.1
59.05015	5.9
60.04521	3.8
61.02922	2.1
67.77180	1.0
69.03429	69.9
69.47178	10.6
73.02928	2.1
75.04485	2.6
78.26336	1.0
79.05526	1.2
81.03406	2.4
85.02907	55.1
87.04468	51.3
91.05441	1.1
93.31266	1.2
97.02892	60.0
99.04458	2.3
103.05510	1.6
105.07028	6.1
109.02868	3.9
114.17974	1.0
115.03931	90.8
121.10026	1.2
123.04387	1.6
124.05212	11.7
127.03925	6.7
129.07051	1.7
133.04965	100.0
133.06555	4.6
137.05978	13.7
144.06638	1.5
145.04980	7.9
150.07623	14.1
151.03899	2.5
157.06569	1.7
157.09067	1.1
162.07689	2.1
163.03911	16.3
163.06078	1.5
165.09123	33.2
169.04999	2.4
177.09105	1.7
180.08643	1.8
181.04962	4.4
189.09158	3.3
199.07611	1.7
201.09192	4.6
207.10202	2.7
223.05986	1.4
231.10210	2.9
241.06985	1.7
243.10115	2.4
259.08148	2.7
261.11227	1.5
277.09311	2.0
284.70129	1.1
297.07547	4.0
315.08722	5.8
329.22943	1.2
369.13318	1.5
400.62268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68696	2.2
64.65459	2.1
69.03425	3.5
69.95341	9.3
69.95747	4.3
73.99554	2.1
74.02442	43.5
76.60096	2.0
77.77280	2.5
79.70036	2.1
83.88624	2.0
85.02916	13.7
88.03991	49.1
97.02893	3.5
98.21406	3.7
101.48751	2.2
109.02894	2.9
115.45255	2.0
116.03453	23.0
116.98616	2.4
127.03920	5.4
134.04492	100.0
145.04959	3.4
148.19644	2.6
163.03917	22.4
169.03297	2.2
169.07622	3.6
182.27324	2.2
191.03844	2.6
213.00092	10.1
215.08232	7.1
231.01144	2.9
254.23328	2.2
312.11786	2.4
395.52814	2.4
432.33359	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	476.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74579	2.5
55.01858	3.5
55.54700	2.5
69.03416	6.3
70.00901	12.0
70.06573	4.6
79.05479	4.3
81.03404	3.6
84.04495	4.0
85.02912	8.8
86.09679	2.8
87.02648	2.7
87.04466	3.7
91.05463	2.8
95.04982	4.1
97.02890	6.1
98.20869	3.7
103.05434	4.1
105.07029	51.8
110.06046	2.5
115.05421	8.2
116.07091	5.4
118.04163	5.1
129.10222	3.7
131.04958	2.7
133.06487	53.3
135.04385	2.5
140.01653	16.2
140.07016	2.8
143.05989	3.7
147.04378	9.0
161.05972	100.0
162.09062	2.8
163.03912	10.9
165.05481	2.5
166.03296	3.3
167.01575	7.3
167.07036	5.9
175.03951	2.8
182.04959	5.4
193.04970	3.4
193.08611	74.4
211.07474	2.5
229.06409	4.7
247.05852	2.9
248.06282	5.1
251.08598	3.2
262.10046	2.6
290.07504	5.9
314.11105	5.0
320.08359	2.9
326.09827	2.9
332.30002	2.5
392.10712	3.9
476.12213	4.4
497.78201	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.63981	0.5
55.01878	1.1
55.05507	5.6
55.79555	0.5
57.03437	0.9
57.07074	1.1
59.04990	0.8
67.05499	10.7
67.29525	0.6
69.03423	1.0
69.07063	6.3
69.18552	0.5
71.04980	3.8
71.32813	0.8
71.33140	0.7
71.49833	0.5
73.06575	0.6
76.56713	0.5
77.03933	0.6
79.05492	9.0
81.03403	4.2
81.07052	13.1
83.04979	2.1
83.08611	3.4
83.28294	0.5
85.06542	1.2
88.31721	0.5
91.05478	9.7
93.07041	13.4
95.04967	3.2
95.08604	15.5
96.48578	0.5
97.06526	1.0
97.10175	1.6
99.08079	1.4
105.07021	7.8
107.04954	1.8
107.08585	12.5
109.06538	1.9
109.10147	8.3
111.08092	1.4
111.11725	0.7
117.07023	2.5
119.08573	9.7
120.72604	0.5
121.06518	5.9
121.10143	11.6
123.08090	1.6
123.11711	3.8
125.09630	2.3
127.11182	2.5
129.07008	2.3
131.08569	3.8
132.84084	0.5
133.06488	1.0
133.10138	7.1
135.08046	4.1
135.11691	7.8
137.09567	0.5
137.13235	0.6
139.07594	0.8
141.06960	0.6
143.08580	2.1
145.06470	0.6
145.10120	3.6
147.08040	1.3
147.11685	4.5
149.09628	5.3
149.13255	5.6
153.12721	1.5
157.10097	1.7
159.08051	0.9
159.11697	3.5
161.09618	1.3
161.13254	5.2
163.11203	3.3
163.14827	1.7
171.11711	2.0
173.09694	0.9
173.13293	2.0
175.11220	1.5
175.14844	1.9
177.12758	0.6
177.16478	0.7
181.12300	0.7
183.11644	0.5
185.13254	1.0
187.14833	1.7
189.12776	1.6
189.16435	1.0
191.10733	0.8
193.12279	1.8
199.14879	1.1
201.12819	1.2
201.16414	1.0
203.14357	1.6
203.17969	1.2
205.15857	1.4
207.13910	0.7
213.16478	1.0
213.30508	0.5
215.14285	0.7
215.17934	0.9
217.15932	1.6
217.19559	0.6
227.12796	2.9
231.13864	0.7
231.17488	1.5
243.17477	1.5
271.20584	0.8
275.19870	0.6
321.24240	1.0
335.25723	3.5
365.87042	0.6
383.22174	1.5
457.36667	0.9
475.26764	3.0
475.37851	100.0
476.38116	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50905	0.7
53.03939	2.6
55.01868	1.5
55.05267	0.8
55.05510	9.9
56.96558	0.7
57.03429	2.9
57.07067	1.3
59.04984	0.7
63.59700	0.5
65.03922	2.1
67.05506	29.8
68.05815	1.0
69.03416	0.8
69.06725	0.9
69.07069	12.5
71.04990	4.8
71.58942	0.8
73.06534	0.7
79.05495	32.7
80.05817	0.8
81.03416	6.1
81.07059	32.7
82.07375	1.0
83.04993	5.8
83.08623	7.7
85.06516	2.3
91.05480	22.8
93.07046	33.7
93.09427	0.7
94.07365	0.8
94.13474	0.6
95.04974	10.1
95.08610	21.2
97.06531	3.0
97.10164	2.5
99.08080	2.3
100.58325	0.6
103.05448	0.7
105.04481	1.1
105.07031	15.9
107.04941	3.5
107.08596	22.9
108.08865	1.0
109.06524	3.1
109.10154	8.3
111.04450	0.6
111.08077	3.7
111.11706	0.7
117.07030	5.6
119.08581	14.5
121.06511	6.1
121.09319	1.1
121.10144	14.7
123.08073	3.8
123.11704	3.3
125.09629	1.8
127.07514	0.6
127.11176	2.5
128.06215	1.3
129.07019	5.0
131.08560	4.1
133.06482	0.7
133.10136	9.9
134.10454	0.7
135.08080	5.0
135.11685	9.7
137.13242	0.8
139.11218	1.0
141.06992	0.7
142.07826	1.2
143.08533	3.1
145.06503	0.7
145.10121	5.9
147.08005	1.2
147.11700	15.3
149.09619	4.8
149.13261	11.9
153.09109	0.6
153.12755	2.6
155.08554	0.7
157.10114	1.5
159.08035	1.1
159.11699	7.5
161.09628	2.3
161.13261	6.3
162.98509	0.6
163.11206	2.3
163.14781	2.7
171.11694	8.0
173.09711	0.8
173.13281	2.4
175.11137	1.5
175.14827	2.1
177.12741	2.5
177.16367	1.0
179.14238	0.7
181.12227	1.1
183.11548	0.8
187.11148	1.2
187.14888	1.5
189.12738	4.0
189.16380	2.0
193.12192	0.9
195.13844	2.7
201.12726	1.3
201.16533	0.9
203.14278	1.1
203.17886	1.2
205.15860	1.5
207.13782	8.2
213.12859	0.6
213.14830	1.5
215.17918	0.9
217.15971	1.2
225.14813	1.4
227.12772	1.7
243.17459	2.5
269.17410	0.8
304.26407	2.3
321.24365	1.0
335.25674	3.6
351.44809	0.7
383.21997	1.3
401.22858	1.0
457.25824	0.7
457.36487	1.5
475.30682	11.4
475.37759	100.0
476.31244	1.4
476.38098	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	22.0
54.11757	2.3
55.01872	7.9
55.05517	17.3
57.03440	55.2
57.07080	79.3
61.02928	14.6
67.05506	37.5
69.03429	63.9
69.07061	23.7
69.40880	5.5
69.41299	18.7
71.01379	5.7
71.04995	19.7
71.08238	3.6
71.08633	60.3
73.02908	11.0
75.04462	3.6
79.05492	9.3
81.03421	100.0
81.07056	40.3
83.04976	5.7
83.08619	28.7
85.02907	58.5
85.10172	28.3
86.09045	2.2
87.04469	12.4
91.03966	8.3
91.05467	4.5
93.07037	5.8
95.04956	4.0
95.08611	60.4
97.02893	51.4
97.06519	2.2
97.10175	14.2
98.20782	4.7
98.98466	8.5
99.04462	38.9
99.11735	3.2
101.02386	4.3
103.03944	44.4
105.07041	6.1
107.08562	2.5
109.02888	60.2
109.10164	29.0
111.04440	2.6
111.11691	5.0
115.03905	4.3
117.05485	5.8
119.08626	3.7
121.06523	22.6
121.10120	6.5
123.11732	15.9
125.13288	2.6
127.03916	63.3
129.05482	4.6
131.08577	2.5
133.10139	2.6
134.16972	2.4
136.99947	2.8
137.05972	3.4
137.13283	6.8
145.04962	9.2
151.14810	3.7
152.96547	3.0
155.00940	3.1
159.06577	4.7
171.06549	3.2
180.62445	2.6
183.06509	16.4
201.07634	9.9
207.10257	5.0
221.22734	3.2
239.23700	43.1
259.98489	2.3
265.14822	2.5
313.27380	69.0
328.23016	2.3
339.28973	3.6
340.64423	2.4
349.81235	2.7
383.27979	54.4
457.31448	4.1
475.32983	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	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15230	1.6
53.03939	4.2
55.01863	3.8
55.05511	13.0
57.03440	21.1
57.07074	59.2
59.04990	3.6
59.06086	1.7
61.02926	64.4
67.05506	26.5
69.03429	25.6
69.07075	16.6
71.01344	3.7
71.04973	4.6
71.08236	2.5
71.08629	40.1
73.02918	25.0
79.05495	14.8
79.23976	2.0
81.03409	20.1
81.06579	2.7
81.07056	40.0
83.04958	5.0
83.08614	20.8
85.02902	60.3
85.10181	22.3
87.04462	2.3
91.03949	42.3
91.05483	11.3
93.07046	14.3
95.04948	6.0
95.08046	3.4
95.08604	39.8
97.02895	50.4
97.10138	9.4
98.20709	3.8
99.04437	8.2
99.11745	1.9
101.02385	10.7
103.03917	9.8
105.07017	7.2
107.04996	3.1
107.08589	6.8
107.94661	1.8
109.02873	13.3
109.10175	19.3
111.11713	3.2
115.03928	4.6
117.05522	2.6
117.06972	2.9
119.08567	3.3
121.10141	4.1
123.11682	6.7
127.03932	24.2
129.05460	3.5
131.08592	2.4
133.10110	2.6
135.11711	3.4
137.13234	3.5
143.08398	2.4
145.04962	9.5
145.10063	2.3
147.11658	3.4
149.13271	4.6
159.06593	2.1
159.11700	3.3
171.06613	1.9
171.11641	2.5
183.06506	6.1
201.07542	4.5
207.13747	2.3
221.22615	2.2
223.96628	1.9
239.23647	28.4
247.85371	1.8
257.24686	3.4
305.59076	1.9
313.27362	100.0
314.27563	2.2
341.26929	4.2
457.31561	3.0
475.30792	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38553	1.3
57.07067	1.7
62.41635	1.3
69.26984	7.7
69.27405	10.5
98.21571	3.2
110.94707	1.3
128.25337	1.5
251.04822	1.9
261.79062	1.7
316.92007	1.5
475.32581	100.0
476.33011	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28224	0.8
53.03935	1.3
54.03685	0.8
55.01864	1.6
55.05511	6.6
57.03423	2.0
57.07067	1.1
65.03962	0.9
66.70164	0.8
67.05505	20.7
69.03431	4.1
69.07050	3.3
70.77924	0.7
70.79571	1.3
71.04969	2.6
71.23362	0.7
75.77440	0.7
79.05502	6.1
79.74690	0.7
81.03410	2.4
81.07058	13.7
81.48824	0.7
82.06571	1.3
83.04975	2.1
83.08611	2.2
85.02892	1.7
85.06545	11.0
86.72811	0.7
91.05476	7.8
93.07048	8.6
95.04973	3.8
95.08607	62.8
96.08932	0.9
97.06494	1.7
97.10168	2.6
99.04462	4.9
99.08081	3.0
101.05990	1.4
105.07034	5.9
107.04974	1.9
107.08587	4.4
108.05759	1.0
109.02843	1.5
109.06499	1.7
109.10158	15.8
111.04379	1.0
111.08081	1.7
113.06008	8.8
113.09634	3.5
117.06999	2.0
119.08597	4.1
121.06476	2.2
121.10141	4.4
123.04418	1.0
123.08060	19.5
123.11674	2.5
125.09621	1.5
128.07068	1.9
129.06975	1.4
129.09163	1.2
131.08537	2.4
133.10132	2.8
135.08029	5.3
135.11703	2.2
137.05963	1.6
137.09610	9.4
139.07550	2.4
139.11261	0.9
141.09105	16.3
143.08554	1.3
145.10141	2.4
147.08003	1.4
147.11693	2.0
149.09631	2.9
151.07542	100.0
152.07883	3.2
153.09058	1.0
155.08528	1.2
155.10674	2.0
157.08646	1.3
157.10072	1.2
159.08051	1.8
159.10254	1.9
159.11665	2.1
161.05930	0.8
161.09601	1.5
163.07507	1.2
163.11203	3.0
165.09119	39.3
166.09441	2.1
169.08636	3.8
170.08037	1.4
173.09596	2.8
173.11742	0.9
173.13319	1.1
175.07523	0.9
175.11209	2.6
176.08286	1.1
177.09096	12.3
183.10181	1.2
187.09610	16.4
187.11070	2.6
188.09216	3.0
189.09126	2.3
189.12764	1.9
191.10675	32.5
192.10995	1.5
193.08598	1.9
199.11244	1.4
201.09341	0.8
201.11163	2.0
201.12834	1.1
203.10669	3.6
205.12254	9.9
215.10571	1.7
217.12173	1.6
229.12202	1.0
247.13229	0.9
259.16953	1.3
275.20026	0.9
285.18466	1.8
303.16309	1.0
303.19534	4.4
335.09259	0.9
353.59973	0.7
383.22156	2.7
411.29114	1.7
421.27408	0.9
429.30069	2.2
475.26917	4.4
475.32553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.2
53.03946	9.5
55.01873	7.1
55.05516	29.3
57.03431	6.5
57.07066	2.8
58.46093	2.0
65.03948	3.3
67.05506	90.3
69.03445	2.1
69.07069	29.0
69.71136	13.5
70.74068	1.9
71.04993	7.6
73.06545	3.4
79.05495	99.6
80.53753	1.8
81.03416	26.0
81.07057	100.0
83.04991	16.9
83.08635	22.3
85.06549	3.5
91.05483	75.7
93.07046	94.5
95.04973	37.5
95.08607	49.4
97.02915	2.5
97.06554	10.6
97.10194	5.1
99.08083	4.2
105.04492	1.8
105.07034	49.4
107.04973	9.3
107.08593	43.2
107.09294	3.7
109.06531	8.6
109.10152	6.7
111.04437	3.6
111.08089	6.4
115.05512	2.0
117.07027	18.5
119.08585	27.5
121.06526	8.6
121.10144	22.2
123.08069	6.9
123.11726	2.9
125.09615	3.3
128.06271	3.4
129.07019	19.0
131.08597	17.8
133.06465	2.7
133.10127	18.8
135.08060	3.1
135.11699	11.6
142.07788	2.5
143.08537	10.1
145.10155	12.6
147.08090	4.8
147.11691	31.9
149.09596	2.3
149.13286	20.7
153.12698	3.7
155.08528	2.5
157.10107	3.4
159.11688	13.0
161.09627	5.6
161.13261	12.6
163.11212	4.5
169.09979	2.5
171.11705	23.7
173.09680	2.1
175.11256	2.7
177.12791	5.7
181.12305	2.5
189.12769	8.4
193.12228	5.4
195.13834	5.7
207.13809	24.0
213.14833	2.0
225.14822	2.4
227.12746	5.3
304.26526	4.6
323.24014	2.8
341.24768	1.8
351.23181	2.6
383.21899	3.1
401.27100	3.0
456.43997	2.3
457.25882	2.6
475.31522	38.5
475.37878	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01874	7.2
55.05513	17.4
57.03427	3.1
57.03996	1.3
62.98080	1.3
65.03922	1.7
67.05508	32.0
69.03429	3.5
69.07069	8.7
71.04993	2.9
79.05058	2.9
79.05495	38.2
81.03422	70.1
81.07062	26.1
83.04992	7.8
83.08624	21.3
87.68270	1.4
91.05481	27.4
93.07048	38.1
95.04974	21.4
95.08612	37.6
96.52353	1.5
97.02898	6.6
97.06532	4.4
97.10159	2.6
98.20776	3.0
99.04463	4.6
105.07020	17.8
107.04958	16.0
107.08601	25.3
109.06504	6.6
109.10166	6.0
111.04443	3.3
111.08085	4.0
113.37992	1.4
115.05451	2.2
117.07014	13.0
119.04962	2.2
119.08595	18.0
121.06503	9.1
121.10150	16.0
122.60574	1.7
123.04448	1.7
123.08091	3.3
125.06027	3.7
125.09638	2.4
129.07019	9.0
131.08562	6.0
133.06499	3.1
133.10133	7.4
135.08072	3.5
135.11694	44.2
142.07755	3.0
143.08588	3.5
145.06499	2.5
145.10130	23.5
147.08000	2.6
147.11702	4.8
149.09641	4.7
153.12746	3.9
157.10138	8.2
161.06084	1.6
163.11186	56.5
165.06937	1.6
175.11182	7.4
181.12250	10.6
187.11125	1.6
191.10629	2.0
193.12247	20.3
201.12665	1.5
209.11697	3.3
227.12782	100.0
229.35573	1.8
247.13403	2.7
249.14922	2.5
268.21353	1.7
289.14172	1.8
348.83719	1.6
355.22726	2.1
365.21103	3.6
365.48102	1.5
383.22147	7.2
401.23245	2.5
457.25720	4.0
475.26901	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.2
54.08521	5.0
55.01869	6.2
55.05513	25.7
56.43486	5.1
57.03440	6.1
59.04984	5.9
67.05518	27.7
69.03429	38.6
69.07055	9.9
70.06570	7.4
71.04998	8.3
71.32218	10.9
72.08144	7.8
73.02917	9.0
74.06068	4.7
78.03799	6.3
79.05473	14.3
81.03399	39.1
81.07063	19.2
83.04980	78.7
84.04484	7.6
84.08147	7.4
85.02900	70.7
85.06528	11.1
86.09704	16.3
87.00834	22.5
87.05563	6.5
88.03979	6.4
91.05487	13.3
93.07040	10.5
95.04957	15.1
95.08620	37.8
97.02882	30.8
97.06484	7.4
99.04449	18.0
102.03776	10.8
105.01871	13.0
105.07054	12.6
107.08600	22.6
109.02883	34.4
109.06524	6.9
109.10149	81.4
111.08079	5.9
115.03976	5.3
119.08563	13.3
121.06520	6.4
121.10141	10.9
123.04417	94.0
123.08064	20.9
124.07551	6.5
125.09629	16.0
127.03915	49.0
130.99007	4.8
131.06354	6.0
131.08572	5.7
132.04758	7.1
133.10118	15.6
135.08041	6.0
135.11674	9.3
137.05989	10.0
137.09634	17.6
145.04932	20.4
149.07422	56.0
149.09474	8.9
149.13243	6.1
153.09142	10.7
159.02861	14.8
161.05899	8.2
161.13216	8.4
163.03973	6.3
163.11285	12.1
165.05464	42.1
173.13213	8.9
179.14323	86.1
191.14291	24.1
197.15274	6.2
209.15355	100.0
227.16425	21.1
389.17810	8.5
409.19006	7.8
431.19073	24.6
475.17438	53.6
475.24173	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67681	1.6
55.01849	3.2
61.94393	1.7
62.12189	1.9
65.27113	1.9
65.62626	2.2
67.05490	3.0
69.03412	7.3
69.07059	5.3
70.11673	7.2
70.12094	3.6
71.04987	3.4
71.25969	1.5
79.05462	2.8
81.03419	6.4
81.07050	7.5
85.02901	14.8
86.09672	1.8
87.00806	6.3
91.05467	4.9
93.07056	9.4
95.04945	2.7
95.08613	12.1
97.02890	5.9
97.06516	6.9
105.01840	4.2
105.07010	9.7
107.08551	10.0
109.02872	5.3
109.10155	4.0
119.08576	3.3
121.10126	12.7
123.04356	2.0
123.08079	2.1
127.03915	7.9
129.06963	2.0
131.08565	9.5
133.10127	100.0
134.10475	2.5
135.08069	4.5
135.11673	5.1
136.03926	3.8
145.10112	4.5
147.11691	3.0
149.09636	4.8
149.13205	3.1
151.11162	3.4
154.04985	2.4
158.10896	6.3
159.02823	2.6
163.14781	10.2
173.13264	38.5
179.03375	4.3
182.65878	1.8
191.14290	27.5
209.15408	10.4
227.16479	3.0
239.06996	2.2
249.41393	1.8
306.61218	1.8
475.25110	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	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67239	3.4
53.03935	6.1
55.05499	16.4
57.03425	5.7
58.27721	3.6
67.05509	7.6
69.03436	21.1
69.07062	10.0
69.36623	21.3
69.37050	15.3
71.04987	10.9
73.02929	4.5
73.96532	3.5
79.05513	5.4
81.03423	16.9
81.07059	9.6
83.04980	43.6
85.02908	25.9
85.06554	4.2
86.09686	10.4
87.00834	12.5
91.05478	12.7
93.07049	14.8
93.90126	3.6
95.04954	7.1
95.08613	23.0
96.20071	3.7
97.02896	11.8
97.06521	21.5
98.20665	7.1
99.04449	6.5
105.01902	8.2
105.07053	12.6
107.08575	23.0
109.02885	12.2
109.06500	7.1
109.10162	11.0
115.07549	5.1
116.26734	3.2
116.98570	5.0
119.08586	8.9
121.10169	19.6
123.08051	4.0
123.11718	6.2
125.09641	6.9
127.03903	23.2
131.08549	12.1
133.10129	100.0
135.08015	10.4
135.11681	10.8
139.11188	8.6
145.04961	5.9
145.10101	6.3
147.11726	5.5
149.09656	8.8
149.13268	6.2
151.11180	12.1
153.09138	5.3
158.10904	5.5
161.05980	4.6
163.14819	19.8
165.12755	3.9
173.13261	40.7
187.27945	3.5
191.14319	49.0
201.12291	4.2
209.15366	51.0
227.16420	11.0
231.05043	4.7
239.12569	4.2
284.68347	3.3
295.06021	4.1
313.07004	31.9
475.24854	13.2
502.20074	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05496	3.8
57.03415	4.5
67.05487	7.4
69.03413	9.6
69.07069	5.0
69.50726	20.7
70.06583	12.2
71.04991	35.4
74.06077	3.5
76.97823	2.2
79.05482	4.9
81.03396	6.4
81.07032	9.1
83.04981	5.0
85.02907	13.5
85.06523	2.7
86.09687	5.2
87.00804	5.9
91.05470	6.1
93.07024	8.5
94.90811	2.4
95.04979	4.0
95.08594	15.3
97.02866	6.8
97.06483	5.1
98.97552	4.4
99.04447	5.1
99.08035	2.4
99.60627	2.4
103.05442	2.9
105.01846	2.6
105.07008	7.2
107.08572	6.5
109.02853	7.1
109.06498	8.0
109.10141	7.0
119.08544	4.6
120.08105	5.1
121.06522	3.0
121.10142	39.9
123.04404	3.8
123.08073	4.3
125.09624	2.5
127.03883	9.7
131.08571	4.8
133.10083	17.5
135.08064	5.3
135.11684	2.5
137.05901	2.6
137.13239	2.4
139.11174	46.7
145.04912	3.2
147.11627	2.9
149.13275	4.8
151.03848	4.9
151.11133	4.8
152.04250	2.9
153.09085	3.8
157.12184	4.3
163.14859	5.1
173.13187	10.1
177.00833	2.6
191.14302	24.2
198.55255	2.4
209.15364	23.5
219.10017	3.3
220.10390	4.0
227.16417	10.9
229.15417	4.3
313.07062	3.0
475.25235	10.2
475.32419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.8
56.96563	5.0
57.03436	8.8
58.55532	4.8
58.60835	5.1
59.00808	5.1
61.46021	4.9
64.93759	4.2
69.03426	8.4
70.02074	28.6
81.03425	10.7
84.04492	5.3
85.02919	34.6
95.01342	5.1
97.02876	13.6
101.07146	9.1
105.03340	5.7
107.04978	7.3
109.02879	15.6
111.04441	5.4
121.02865	22.6
123.04431	14.2
124.07558	26.5
131.04854	5.4
135.04427	13.4
147.04442	7.8
151.03879	8.0
157.06485	5.4
159.04405	8.2
161.05959	6.3
163.03896	22.7
165.10616	4.7
173.05977	11.0
175.03954	28.9
177.05469	19.0
181.05037	26.5
181.06323	5.0
183.50255	4.7
185.06096	5.7
187.03899	19.1
189.05504	8.7
191.03419	5.1
193.04985	52.9
197.05879	8.2
201.05461	22.5
203.03552	6.5
203.07188	7.5
203.22292	4.5
205.04979	40.9
211.03865	6.2
211.05949	7.3
213.05521	12.6
215.03383	5.2
217.04933	25.9
219.02818	10.4
219.06517	19.1
221.04494	18.5
223.05930	43.9
225.05469	13.4
227.03261	5.7
228.22115	5.0
229.04932	19.7
231.06554	13.1
233.04413	7.1
235.06029	20.1
241.04947	17.6
243.06541	17.4
247.06042	91.2
253.04971	15.8
255.06511	6.5
257.04337	6.6
259.06036	100.0
261.07639	5.1
271.06021	38.8
273.07492	6.0
277.07083	34.9
279.06400	8.7
283.06018	21.0
285.07468	14.0
287.05612	7.3
289.07068	87.4
297.07520	10.4
299.09326	7.5
300.44000	5.0
301.07016	45.0
307.08389	42.0
309.07779	7.8
313.06931	49.6
319.08334	23.1
325.09750	70.2
331.08121	9.7
337.09009	16.8
343.08237	43.0
349.07336	6.0
355.07797	38.8
361.09058	20.2
367.08112	11.5
373.09109	45.2
379.10294	8.6
385.09164	20.4
391.10364	48.8
393.45755	5.4
403.10379	26.4
421.11423	25.9
439.12192	18.8
457.13358	6.7
475.12262	17.2
475.18466	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27421	2.1
53.82287	2.1
55.01881	12.3
57.03430	8.1
61.02927	2.8
67.01841	3.0
69.03435	5.6
70.85266	2.2
71.05547	6.0
71.88170	1.8
80.80624	2.3
81.03433	6.6
84.80307	1.9
85.02428	3.0
85.02903	35.0
93.03414	3.4
95.01330	3.0
97.02895	13.2
103.03944	5.5
103.05485	2.3
105.07021	3.2
107.04959	5.2
108.09827	2.5
109.02870	11.1
115.05475	3.2
117.07053	2.3
121.02859	23.5
123.04422	6.2
128.06226	2.4
129.07002	4.9
130.89719	2.4
131.04932	3.8
135.04393	3.8
137.02361	2.7
139.03976	5.2
140.07126	2.8
141.06915	2.5
145.06467	5.8
147.04399	9.1
149.02274	3.7
149.05917	3.2
151.03926	8.4
157.06505	4.8
159.04422	8.2
161.05972	6.8
163.03926	16.0
165.05492	3.1
169.06473	3.1
171.04396	9.2
173.02367	2.5
173.06018	7.7
175.03912	23.8
177.01935	3.0
177.05453	17.2
181.04971	26.5
185.05984	8.5
187.03925	21.8
189.05487	11.6
191.03281	3.4
191.06947	4.6
193.04968	45.6
197.05974	8.6
199.03941	6.7
199.07509	3.0
201.01813	2.6
201.05453	21.8
203.03366	6.1
203.07092	9.8
205.04956	44.5
205.06721	3.6
211.04204	3.0
211.05991	5.6
213.05421	13.9
215.03384	3.1
215.06982	6.1
217.04939	34.8
219.02983	13.2
219.06500	21.9
221.04413	18.8
223.06001	37.1
225.05426	12.7
227.03342	2.2
227.07083	7.4
229.04959	21.8
231.06544	22.7
233.04385	3.8
233.08116	2.2
235.05930	20.3
237.05437	3.4
239.07034	5.0
241.05014	19.3
243.06509	21.4
245.04309	3.7
245.08064	11.6
247.06009	100.0
251.07108	3.3
253.04961	12.2
255.06416	14.3
257.04639	4.5
257.08105	4.7
259.06021	98.6
261.07629	5.1
261.59723	2.7
265.04819	4.0
265.07278	3.1
266.05606	2.3
267.06534	10.0
271.05994	45.0
273.07629	13.7
277.04352	3.7
277.07092	39.7
279.06479	6.9
281.04251	2.8
283.05988	21.4
285.07489	14.5
287.05557	5.9
289.07059	86.9
295.05832	5.2
297.07538	11.9
299.05734	3.1
299.09018	4.3
301.07047	59.6
307.08200	32.3
309.07547	6.7
311.09109	5.0
313.06906	63.2
315.08624	3.3
319.08301	23.3
325.06564	18.3
325.09198	62.1
327.08502	3.6
331.07971	8.9
337.09152	16.0
339.08688	4.0
343.08075	47.6
349.06863	3.4
355.07614	30.4
361.09210	29.3
367.08102	15.6
373.09171	38.1
379.10300	19.2
385.09198	19.7
391.10202	42.5
403.10199	29.7
409.11444	5.5
421.11285	27.0
439.12311	19.3
457.13455	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	473.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64445	1.5
55.05494	6.5
57.03434	2.8
57.07073	2.8
58.08441	1.6
67.05508	11.4
69.07063	8.8
69.39643	9.6
69.40071	3.8
71.04996	7.6
79.05483	7.7
81.07050	14.2
82.70249	1.5
83.04980	1.8
83.08590	4.6
85.06563	2.0
91.05471	4.8
92.35748	1.5
93.07038	14.0
95.04967	1.9
95.08602	19.9
96.47498	1.4
97.06536	2.2
97.10159	1.7
98.21446	3.4
98.98436	2.7
105.07024	12.1
107.08587	22.4
109.06496	1.8
109.10145	19.6
111.08076	3.9
113.09629	10.9
117.06984	2.9
119.08567	18.4
120.28208	1.8
121.06519	11.4
121.10136	24.9
122.92562	1.4
123.08042	3.6
123.11727	3.7
125.09637	4.2
131.08575	3.8
133.10127	14.4
135.08041	9.7
135.11707	11.0
139.07567	1.6
143.08565	2.8
145.10146	8.7
147.08078	4.9
147.11693	11.3
149.09630	10.4
149.13213	3.5
155.01047	2.6
157.10110	4.1
159.08058	7.5
159.11703	9.7
161.09586	5.8
161.13242	12.9
163.11150	5.4
163.14842	2.9
165.12790	1.4
169.10269	1.6
169.99594	1.4
171.08154	2.2
171.11729	3.6
173.09619	2.8
173.13260	6.4
175.11180	9.1
175.14818	3.3
177.12735	2.7
185.09593	1.6
185.13197	3.3
187.11172	6.6
187.14900	2.8
189.12752	13.9
189.16251	3.4
190.50157	1.4
199.11218	2.1
199.14777	3.1
200.40326	1.8
201.12753	4.1
201.16315	1.7
203.14319	4.1
205.15883	2.6
213.12914	1.9
213.16341	2.4
215.14169	1.8
217.15907	3.1
225.16490	1.9
227.17964	2.4
229.15895	4.1
229.19334	1.5
235.17076	3.0
243.17435	10.8
255.08658	1.5
255.17371	2.7
259.16891	3.1
261.18420	8.5
269.19028	1.9
273.18570	9.8
275.20029	2.0
287.20074	5.2
288.20862	4.0
289.21384	1.7
291.19638	2.9
301.21622	4.2
313.21524	2.2
315.22983	8.3
329.24719	35.0
333.24380	1.8
337.27451	2.0
355.26187	2.5
356.99939	2.0
357.27878	5.9
413.30612	2.6
439.35678	26.5
441.33649	31.1
445.25659	1.8
455.35019	3.6
473.28629	30.4
473.36087	100.0
474.29083	3.1
474.36502	3.3
480.53973	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.01876	18.3
55.05512	100.0
57.03432	8.4
61.83158	3.3
65.03953	4.4
67.05502	73.2
69.03417	9.3
69.07066	25.5
69.44250	28.2
71.04991	5.1
79.05495	90.8
81.03389	3.4
81.07053	59.4
83.04984	10.7
83.08624	35.0
84.41559	2.9
91.05480	38.5
93.07053	36.4
95.04984	5.9
95.08588	18.6
97.10178	71.6
98.20755	4.9
103.05495	16.4
105.03391	4.9
105.07027	30.1
107.04950	9.7
107.08596	49.3
109.06497	7.4
109.10168	24.4
111.08083	7.3
115.05462	8.7
117.07020	32.0
119.08578	21.5
121.06487	5.0
121.10144	5.6
123.08065	7.3
125.09635	69.9
128.06213	9.5
129.07016	36.9
131.04910	9.6
131.08606	22.7
133.06503	6.4
133.10133	7.8
135.08066	17.7
135.11659	7.6
141.06978	9.2
142.07768	3.9
143.04886	4.9
143.08559	13.8
143.10725	4.0
145.06540	17.7
145.10146	12.3
147.11687	8.5
149.09563	6.4
153.09103	9.8
155.08557	10.3
157.10143	10.6
159.08087	8.0
159.11690	11.1
161.13284	4.7
165.06952	4.8
165.09140	3.5
167.08528	8.9
169.10150	10.9
171.10237	7.9
171.11711	10.3
173.13264	3.9
183.11726	5.0
185.09460	4.4
185.13283	6.6
187.14915	5.0
189.11240	77.5
189.12897	7.2
195.11743	8.0
197.13286	10.1
213.12781	13.3
215.14297	52.8
221.13211	3.9
223.11165	4.0
225.12782	5.3
227.12706	4.9
241.12172	10.2
247.16945	11.8
265.01767	3.5
273.14893	18.1
285.18539	3.8
291.16028	7.0
321.91565	3.7
339.23001	4.4
349.21729	19.4
367.22668	45.3
371.25745	6.7
381.24225	16.3
399.25323	85.2
417.26300	7.7
441.26230	5.9
473.28687	16.9
473.35535	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.7
54.64459	1.2
55.01856	6.5
55.05507	34.6
56.48764	1.1
57.03427	3.7
57.38625	1.2
64.99022	1.2
65.03931	4.5
67.05502	58.1
69.03420	4.3
69.07066	14.2
70.35076	2.8
70.35463	3.3
71.04971	3.9
77.03888	1.4
77.46153	1.4
79.05491	69.5
81.03414	100.0
81.07053	50.8
83.04974	12.5
83.08614	24.0
84.16967	1.2
85.06534	2.9
91.05474	64.1
92.05827	1.4
92.06570	1.2
93.07040	49.7
95.04963	40.7
95.08602	24.6
97.02899	5.0
97.06520	4.3
97.10155	12.5
103.05476	4.3
105.07026	46.2
107.04957	12.7
107.08591	19.5
109.06502	8.3
109.10160	8.1
111.08056	9.4
115.05465	4.2
116.06230	1.5
117.07021	11.4
119.04961	2.1
119.08578	29.9
121.06522	6.0
121.10149	8.5
123.08092	5.3
125.09646	8.2
128.06244	3.6
129.06999	27.1
131.08551	17.3
133.06506	4.5
133.10138	13.3
135.08031	3.8
135.11694	3.4
137.09613	3.0
141.06979	3.3
142.07805	4.0
143.08545	11.0
144.97940	1.3
145.06494	3.1
145.10089	9.6
147.08066	4.3
147.11674	31.5
149.02325	1.8
149.09631	5.0
149.13199	1.6
153.09082	2.0
155.08571	3.1
157.10150	10.3
159.08054	2.2
159.11716	2.8
161.09637	4.8
161.13258	7.3
165.09174	2.4
165.12831	1.6
167.08647	1.4
169.10176	2.9
171.11664	18.2
175.11186	8.4
183.11780	1.7
185.09665	1.4
185.13197	1.8
189.11198	5.0
189.12791	6.3
193.12221	24.3
202.77052	1.4
203.12669	1.7
207.13809	14.8
215.14357	4.9
225.14783	2.0
249.14879	3.6
271.16925	1.8
349.21738	1.6
363.23291	2.1
367.22855	4.0
381.24286	4.2
399.25497	6.6
409.17487	1.6
455.27927	2.5
455.35153	4.5
473.14621	5.4
473.29010	55.0
473.35428	3.1
474.29562	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	473.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
58.73544	0.3
67.05505	0.8
67.29960	0.3
71.50710	0.5
71.51052	0.4
74.85452	0.3
74.87776	0.3
79.05473	0.7
81.07059	1.1
85.21221	0.4
85.76394	0.4
91.42369	0.3
93.07027	0.7
95.08597	1.0
98.98449	0.7
105.07031	0.6
107.08591	0.4
109.10130	0.9
121.10143	0.6
133.10074	0.4
135.11729	0.4
137.00174	0.4
150.54933	0.4
155.01076	0.4
170.17140	0.3
209.11501	0.7
210.85432	0.4
226.01198	0.4
251.38379	0.3
253.92966	0.4
287.15976	0.4
324.88977	0.3
473.28726	100.0
474.29019	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.6
57.03439	10.2
57.44528	4.8
67.05493	10.6
68.01030	5.0
69.03417	32.3
69.07066	5.9
70.02065	26.4
70.06588	18.2
70.54591	4.8
71.04990	9.0
73.02906	6.2
79.05502	10.4
81.03416	46.7
81.07054	20.4
84.08156	6.7
85.02907	100.0
86.09718	11.5
87.00820	14.7
91.05482	33.8
93.07039	14.5
95.04960	12.0
95.08625	14.3
97.02901	20.4
99.04467	17.7
105.01870	10.4
105.07034	16.3
107.04999	5.8
107.08591	17.7
109.02848	31.0
109.06590	7.5
109.10155	21.8
119.01908	5.5
119.08573	9.5
121.06556	6.6
121.10122	15.8
122.06041	5.5
123.08059	8.9
123.11706	68.2
125.05978	16.8
127.03918	39.2
131.08578	6.0
133.06532	6.6
133.10170	13.0
136.03935	19.3
137.05980	7.3
137.09566	7.2
137.13261	5.9
139.54991	4.8
145.04999	11.6
145.10139	5.6
147.11693	13.2
149.09546	6.8
151.07481	12.5
154.05028	8.6
159.02919	9.4
161.02963	7.1
163.03914	21.0
165.12833	5.6
167.10724	10.3
172.94481	4.9
176.04581	12.3
181.12167	7.1
189.12762	13.0
207.13806	72.1
225.14804	55.6
225.16568	5.4
273.14908	6.6
293.16077	7.9
302.94598	6.0
417.31967	6.1
473.23264	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.2
56.71009	5.0
61.02917	5.9
67.05503	10.4
69.03421	28.6
69.07033	7.9
69.88687	6.5
70.06585	12.6
70.19836	25.0
79.05457	7.9
81.03412	38.4
81.07038	20.7
83.08603	7.5
84.08129	6.5
85.02436	6.8
85.02900	85.8
86.09681	10.3
87.00835	12.0
90.04146	5.4
90.86214	6.6
91.05472	35.2
92.67587	5.0
93.07039	10.1
95.04990	9.6
95.08608	11.8
97.02897	20.6
99.04433	16.9
105.01859	11.3
105.07034	10.7
107.04932	12.4
107.08576	10.2
109.02869	24.9
109.06483	9.9
109.10155	15.3
112.75643	5.4
119.08566	16.5
121.10149	15.8
123.08041	6.4
123.11720	61.2
123.45437	5.5
125.05955	9.4
127.03931	38.0
130.06509	6.2
133.10123	15.7
136.03958	9.3
143.01846	7.3
145.04958	12.5
147.11638	11.6
151.07541	16.1
154.04961	8.5
161.02930	18.9
163.03909	17.4
163.11139	6.9
165.12744	5.7
167.10732	8.3
176.04533	7.1
189.12735	22.7
190.13129	9.9
207.13849	57.1
225.14810	47.7
452.58194	7.0
473.23019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.3
65.97003	2.9
68.05038	3.1
70.02959	17.6
70.06593	4.0
71.58907	3.8
81.03428	4.9
84.46866	3.0
85.02888	5.2
85.04044	3.5
87.05593	20.0
88.04002	10.0
94.06612	3.0
95.04953	6.2
96.63966	3.2
98.02423	5.9
100.02219	9.7
106.06543	8.3
107.04966	10.2
110.06098	6.9
118.06555	6.6
119.04977	7.4
119.07334	27.4
122.06020	14.9
123.04418	9.2
130.06577	5.0
131.04865	3.4
132.04442	21.2
132.32065	3.5
133.02872	17.6
133.05302	5.5
134.03740	7.0
134.06012	32.5
135.04433	11.5
135.06796	49.1
136.07585	6.1
138.05489	9.5
146.02711	12.8
146.06012	10.4
147.03108	5.5
147.04401	5.3
149.02339	10.2
150.05513	50.1
151.06274	15.2
152.07083	8.6
154.03096	3.3
162.05492	5.6
162.71381	3.4
163.03915	11.3
166.04976	5.1
167.70735	3.5
174.05530	3.2
176.03540	4.1
195.00992	6.5
195.08089	4.1
211.07500	4.5
223.07629	8.7
239.06975	23.1
240.10202	3.7
247.07135	6.2
251.07047	12.1
253.08470	3.7
255.06668	5.7
256.09689	11.1
268.09695	62.7
278.08151	9.9
285.12375	45.2
292.09540	6.4
295.10864	10.1
296.09180	9.0
313.11765	6.8
314.10284	6.6
317.07501	4.6
323.10202	4.5
331.12820	35.9
341.11356	5.6
365.11252	9.3
369.10956	10.4
382.14041	6.3
383.12457	8.9
393.10696	9.2
404.45633	3.8
410.13394	10.7
411.11823	46.6
421.10361	5.2
428.14496	100.0
439.11389	14.2
456.14075	25.7
473.16269	17.8
473.20712	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	473.1294
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.02385	0.2
53.03948	0.4
55.01867	0.5
55.05490	0.3
57.03440	1.7
60.88464	0.2
61.02920	0.6
67.05479	0.4
68.99803	0.2
69.03078	0.4
69.03433	5.9
69.07088	0.3
69.85917	0.4
69.86327	0.8
70.06577	0.7
72.08133	0.3
73.02908	0.6
75.04469	0.3
77.03955	0.2
78.74237	0.2
81.03408	0.9
83.04996	0.3
84.04494	0.5
84.08144	0.5
85.02911	4.9
86.09701	0.8
87.04469	2.9
87.83369	0.2
89.03902	0.6
91.03962	0.3
91.05479	0.3
95.04968	0.6
95.89365	0.2
97.02899	4.7
98.20757	0.4
98.97539	0.2
99.04458	0.4
105.03371	0.5
109.02902	0.5
115.03936	2.4
116.98566	0.3
117.03404	0.3
119.04925	0.3
123.03565	0.5
123.04442	8.8
127.03915	1.0
127.19780	0.2
131.04942	0.3
133.02863	7.4
133.04962	2.2
135.04398	1.7
136.07555	0.5
145.04927	0.5
147.04416	0.5
151.03912	3.2
163.03859	0.4
177.05592	0.2
179.03401	100.0
180.03761	1.6
190.71628	0.2
207.34442	0.2
208.09637	0.4
209.10098	0.3
249.87515	0.2
265.11996	0.5
266.12219	0.5
306.27704	0.2
341.08691	4.3
455.19611	0.3
457.20074	0.2
473.20291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01867	1.4
58.32058	0.6
69.03412	1.8
69.07032	1.1
69.61098	5.0
70.06599	1.1
79.05491	1.3
82.06551	1.0
83.04993	0.7
84.04477	1.3
84.08157	0.8
85.02901	1.2
86.09693	1.5
89.64491	0.7
91.05476	6.4
93.07041	7.0
94.06520	1.3
95.04969	2.6
97.02872	0.7
98.06041	1.6
105.04477	0.8
105.07018	1.0
106.46142	0.8
108.04467	1.3
108.08109	1.9
108.73987	0.6
110.06041	1.9
111.04437	1.5
111.08093	3.9
115.90760	0.7
119.04975	0.9
120.08073	1.1
121.06484	1.9
122.06044	3.2
123.04430	4.7
124.04757	1.2
124.07573	1.7
132.08072	1.7
133.06500	0.7
134.09660	4.9
135.04384	0.7
135.08054	2.7
136.07559	4.8
137.05992	0.9
138.09186	1.3
139.03925	5.9
140.04243	2.2
140.07047	1.9
144.08057	1.5
145.06473	0.9
146.06050	1.2
147.04390	1.2
147.06743	0.8
148.07562	2.2
150.05498	0.6
150.09116	1.3
152.07034	1.1
152.10710	3.1
160.07558	2.7
162.05544	1.1
162.09143	29.3
163.03860	1.0
163.07487	1.6
163.08658	1.4
164.07033	1.5
165.05482	0.8
168.06586	2.0
170.08141	0.8
174.09050	1.0
176.07065	0.9
177.06671	0.9
177.10275	1.7
178.08612	6.5
180.10190	22.5
181.04938	1.4
187.08624	0.8
188.07054	2.1
190.08643	4.5
191.03403	1.4
201.10257	1.5
202.08635	2.1
204.10092	0.8
205.09792	3.3
208.09691	56.4
209.10121	1.4
213.10204	1.5
219.11284	2.9
220.09676	1.2
225.10187	1.4
226.08568	0.7
227.11809	0.8
229.09749	1.5
230.08116	1.1
231.11148	0.9
239.11760	0.8
241.09726	0.7
247.10722	1.7
248.09167	0.9
253.09793	0.9
255.11316	1.4
256.09439	0.8
265.11835	100.0
266.12103	1.5
267.11270	1.7
268.11963	0.9
269.09302	0.8
271.10706	1.6
273.12280	1.4
289.11838	8.5
291.13501	4.4
313.11786	5.8
315.13248	2.5
317.11401	4.4
319.12924	3.2
333.14496	3.3
436.18842	1.5
454.19687	7.8
472.20764	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.8
55.01856	8.5
55.05510	4.7
57.03423	16.2
61.02930	3.9
69.03426	86.5
69.07037	4.8
70.06596	4.3
70.24216	3.8
71.04955	4.8
71.57901	5.2
71.58264	5.6
73.02916	6.6
81.03421	31.2
81.07079	6.2
83.04973	10.5
84.08147	4.5
85.02904	100.0
86.06045	4.2
86.09692	9.1
87.00822	46.8
87.04468	24.6
91.05480	11.5
93.07043	4.2
95.04936	6.9
95.08590	4.9
97.02881	70.9
98.06032	4.5
99.04469	14.5
105.01858	78.2
105.07004	5.6
107.04907	6.1
109.02877	25.2
111.04436	7.2
115.03940	24.2
119.04929	5.0
121.06512	3.8
121.10188	4.0
122.06108	4.8
124.07579	5.5
124.89949	4.3
127.03911	80.2
133.04991	19.0
137.06009	7.9
139.03879	4.9
140.07069	11.3
145.04962	31.2
147.04521	4.6
147.07956	4.0
150.05515	4.9
150.07619	13.1
154.08617	4.3
159.02858	9.2
162.05626	4.5
162.09100	9.4
169.04930	3.6
170.08112	8.0
177.05412	7.1
185.51990	4.0
189.04094	4.1
206.05626	3.7
208.09688	13.4
213.03947	4.3
219.90640	3.7
231.04997	24.8
241.07013	6.7
249.05914	9.0
257.09357	4.2
265.11801	40.6
269.12933	5.7
272.18781	3.8
289.11844	20.3
299.10089	5.2
313.11752	15.8
315.13486	6.0
317.11310	22.3
327.07230	4.6
345.08035	6.5
405.66608	3.8
454.19919	28.0
472.20837	53.4
472.35574	9.0
473.23242	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	472.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05769	1.0
57.98797	1.0
58.42216	0.8
58.99583	13.6
69.03417	1.6
70.02956	1.5
70.06594	1.4
71.58729	1.5
85.02922	2.8
86.99053	13.1
87.05585	1.0
91.05473	1.8
97.02887	1.0
100.02204	62.0
105.00097	14.2
105.07029	1.2
109.02868	1.4
113.45794	1.0
114.15954	0.9
119.07383	1.5
119.08588	1.4
123.04434	1.6
132.04472	1.5
134.06027	1.9
135.04434	1.9
135.06778	2.6
139.03902	2.6
146.02708	84.8
147.04359	1.4
150.05531	4.8
163.03934	3.0
177.05356	0.9
177.06670	1.1
188.69923	0.8
199.14194	1.0
266.12482	1.0
266.43411	0.9
268.09793	1.8
285.12314	1.2
292.13696	3.8
310.14648	3.3
313.12070	1.1
331.12668	1.0
343.71005	0.9
411.11905	3.1
428.14584	3.5
439.11176	1.1
472.20053	100.0
473.20358	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	472.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.0
55.01873	11.4
57.03438	5.8
61.02925	7.6
68.99795	3.9
69.03430	36.2
70.71996	3.6
71.01357	1.5
71.05004	6.3
73.02920	12.1
79.05495	2.1
81.03420	37.2
81.07051	1.0
85.02908	100.0
85.06528	1.9
87.00832	47.6
87.04448	2.2
91.03951	2.8
91.05522	1.5
95.05000	2.4
95.08591	1.1
95.18183	1.1
97.02895	62.2
99.04456	18.2
102.45605	0.9
102.80443	1.0
105.01868	57.7
105.03387	25.5
108.04523	1.5
109.02129	2.0
109.02882	41.0
111.04446	1.3
117.01836	5.6
123.04465	6.0
126.05477	1.0
127.03919	99.9
128.04253	1.1
129.01860	4.0
134.46089	1.0
137.48608	1.0
144.52568	1.1
145.04967	60.1
146.07452	1.0
147.02917	4.4
147.08063	2.2
159.02895	26.8
160.09718	1.4
165.09125	3.1
166.09433	2.0
177.03995	1.8
189.03949	3.3
189.09125	6.9
189.10553	1.0
193.08653	1.3
207.39330	1.0
211.09702	2.2
213.03967	5.6
231.05023	22.8
249.06146	4.5
261.28180	1.2
278.20044	1.2
385.84106	1.2
435.57190	1.3
448.67673	1.1
472.22351	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	471.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.05509	16.8
57.03439	8.1
57.07070	2.1
61.63435	1.4
67.05505	37.2
68.10194	1.3
69.07069	21.3
71.04964	1.6
71.08610	1.4
79.05490	9.1
81.06598	2.1
81.07058	34.3
83.04974	1.9
83.08616	9.8
85.06495	1.5
91.05477	9.0
93.07044	12.5
95.04956	1.6
95.08607	24.9
97.06489	2.2
97.10143	4.0
105.06996	5.5
107.08587	8.1
109.10160	10.8
116.05605	1.5
119.08585	5.9
121.10123	6.7
123.11689	4.0
131.08582	1.7
133.10077	2.3
134.98186	100.0
135.11688	2.5
145.10176	1.5
147.11694	2.8
149.13239	2.0
152.99200	2.2
170.99065	2.9
176.00809	3.7
189.00090	4.5
189.16399	1.7
227.01578	3.2
230.18715	1.6
238.61078	1.5
320.00961	1.6
337.27377	49.4
338.27646	1.8
359.25485	12.5
363.78629	1.8
377.26535	2.4
430.75281	1.5
435.32440	2.2
453.33405	2.3
471.24750	51.3
471.34122	3.2
473.23444	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.03934	1.2
53.85731	0.4
55.01858	1.5
55.05486	0.7
57.03429	0.7
61.02926	0.5
67.05494	1.3
69.03428	4.2
69.07053	0.8
69.59582	2.5
71.04991	0.9
73.02907	1.3
79.05479	1.0
81.03423	3.9
81.07047	1.6
85.02898	10.0
87.00829	4.2
87.99482	0.4
88.07626	0.5
91.05478	1.0
93.07027	0.9
95.02436	0.4
95.04922	0.5
95.08608	1.5
97.02884	7.2
99.04431	2.2
105.01861	5.0
105.03374	3.0
105.07039	1.1
107.08571	0.7
109.02888	4.2
109.06521	0.4
109.10117	0.9
113.02113	0.4
117.01824	0.8
119.08561	0.8
127.03914	10.3
137.09590	2.1
145.04942	5.1
147.02917	0.6
147.08028	0.6
147.11681	0.6
149.09680	0.5
157.10091	0.5
159.02840	2.7
160.09705	2.1
161.10031	0.7
165.09113	10.5
189.09044	2.0
203.05325	1.0
223.16989	0.5
231.05005	2.9
244.09686	0.8
259.07977	0.8
285.83557	0.4
309.16757	1.4
337.77670	0.4
471.21976	100.0
472.22400	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
59.99102	0.4
64.91383	0.3
67.05500	1.0
69.03432	1.3
69.07063	1.2
69.77866	2.4
71.04975	0.5
74.21393	0.4
74.53980	0.3
79.05506	0.7
81.03422	0.9
81.07046	2.3
83.08656	0.4
85.02895	1.8
91.05470	1.4
93.07031	1.0
95.08587	1.0
97.02885	0.8
97.06557	0.7
97.10155	0.4
101.84719	0.3
105.07043	1.6
105.16278	0.4
107.04948	0.6
107.08607	1.2
109.02885	0.7
109.06497	0.4
109.10139	0.7
114.85915	0.4
115.07571	0.4
119.08592	1.0
121.10123	1.0
123.08138	0.5
125.06113	0.3
127.03928	0.6
131.08572	0.5
133.06485	1.4
133.10133	1.0
135.11676	0.6
137.05981	0.6
137.09633	0.5
139.03976	0.4
143.08557	0.5
147.04424	0.8
147.08038	1.1
149.09645	0.5
151.03879	0.4
159.08192	0.4
159.11761	0.6
160.09761	0.5
161.06006	0.6
161.13271	0.5
165.09128	3.0
175.07509	0.3
178.95126	0.4
189.09142	3.4
203.10558	0.4
223.17049	0.5
258.80679	0.4
259.69104	0.3
292.56424	0.4
309.16669	0.9
309.27826	0.5
471.22031	100.0
472.22375	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	471.1287
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
55.01872	1.7
56.96579	0.8
57.03440	0.7
58.12114	0.6
61.07399	0.7
65.03936	3.3
67.05504	1.5
68.99796	2.1
69.03433	1.1
70.06602	3.1
71.04958	0.6
71.58412	1.5
81.03416	1.8
83.04959	1.2
85.02908	2.2
89.03946	0.7
91.05500	3.4
93.03403	2.9
95.01257	0.8
95.04964	3.3
96.97022	0.6
97.02873	1.2
103.05492	0.9
105.03371	0.8
105.07027	1.0
107.04948	2.8
109.02848	1.4
109.58643	0.7
111.04443	20.9
115.05422	1.2
116.07081	0.9
119.04964	4.7
123.04430	72.2
124.04796	1.1
127.03906	2.2
131.04953	1.1
133.06508	1.5
135.04422	6.3
136.07573	1.4
137.02341	9.9
137.05974	1.2
139.03903	100.0
140.04221	1.4
140.07069	0.9
143.04895	2.4
145.02878	1.2
147.04408	19.4
151.03915	3.9
153.01909	0.7
154.08635	1.4
161.05983	7.8
163.03914	13.6
165.01828	0.9
165.05482	16.5
169.04980	1.3
177.05464	2.4
179.03436	1.5
179.05734	0.8
179.07019	4.5
181.04950	21.7
181.06522	1.1
183.02983	0.7
187.04005	1.1
189.01762	1.1
189.05498	3.4
189.71806	0.7
191.03392	23.4
203.03412	2.9
203.07204	1.1
207.02890	4.2
207.06505	7.4
208.09579	0.8
221.04485	2.3
223.13264	0.7
231.06541	1.2
247.05998	1.0
249.07649	1.1
259.06070	2.8
271.05963	2.3
273.07452	3.4
291.08643	19.4
301.07040	6.0
313.06992	6.0
317.06586	2.4
317.10034	1.0
343.08124	4.9
411.10690	2.6
435.10593	1.2
453.11597	1.1
453.17984	0.7
471.13480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56593	0.9
68.28566	0.7
89.06010	1.1
93.12366	0.9
95.66409	0.7
124.93812	1.3
156.96361	1.2
172.05000	0.9
197.82492	0.7
198.41676	0.8
199.69775	0.7
228.54962	0.8
262.99210	0.9
321.27652	14.3
438.21048	1.0
470.24188	4.7
470.33661	100.0
471.34149	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	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
54.66883	4.9
55.01886	9.5
55.05503	16.7
57.03431	10.4
57.07080	8.1
58.75278	4.9
59.04996	9.2
61.02924	7.7
67.05500	22.2
68.99783	8.9
69.03426	31.2
69.07054	30.3
71.04990	19.3
71.59346	6.4
71.59727	7.3
79.05480	29.9
81.03403	33.7
81.07051	63.7
83.04955	10.5
83.08618	13.0
85.02895	30.4
87.00835	14.3
91.05477	39.0
92.63003	5.2
93.07043	40.1
95.04966	22.1
95.08597	45.9
97.02895	22.1
97.06523	35.6
97.10172	6.1
99.02321	4.7
103.03970	5.3
104.08699	5.0
105.07037	46.3
106.31458	5.7
107.04994	26.9
107.08585	39.7
109.02887	18.0
109.06503	11.3
109.10158	43.8
110.46185	6.0
111.04446	18.8
111.08085	9.4
117.07030	9.9
119.08569	39.4
121.06493	14.7
121.10144	43.3
123.04419	24.0
123.08039	12.5
123.11708	16.4
125.05957	7.4
125.09608	9.0
127.03916	26.3
127.11201	11.1
129.01868	9.7
129.06931	6.2
131.08582	20.3
133.10141	33.6
135.04385	9.1
135.08064	9.7
135.11682	22.8
136.07593	9.0
137.06032	12.7
137.13240	7.5
139.03911	31.4
143.08574	17.1
145.10130	23.7
147.11685	20.3
149.13257	10.5
153.05502	5.8
157.10109	15.9
159.08044	9.4
159.11688	26.3
160.09697	10.8
161.09602	7.3
161.13284	21.0
163.03940	21.6
163.11211	6.9
165.05444	41.1
165.09131	14.6
167.07068	8.6
169.10188	8.2
171.11696	8.7
173.02289	26.2
173.13260	16.9
175.11183	8.2
175.14804	7.1
177.09145	4.9
177.12648	7.1
177.16356	5.4
181.04961	12.1
187.07463	9.1
187.14828	6.2
189.09091	13.1
189.12674	7.3
189.16336	15.9
191.17912	6.1
200.77107	6.5
201.16399	8.9
203.17854	9.8
215.07059	12.6
219.17490	8.8
221.11792	26.4
227.18079	6.5
259.09766	36.2
277.10715	22.4
307.13348	8.7
308.13730	6.8
311.19958	11.4
329.20972	8.5
360.17245	8.6
388.16589	13.3
406.17654	14.8
434.16879	38.6
451.23029	11.8
452.18143	97.8
469.20023	20.5
470.19208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01863	19.0
55.05516	37.9
57.03448	13.7
57.07087	12.5
59.05000	7.9
59.82170	4.5
61.02924	11.0
65.03930	5.1
67.05505	42.6
68.99792	13.0
69.03433	55.3
69.07072	34.6
70.44618	5.2
70.79905	13.8
71.05009	25.6
73.02911	5.5
79.05493	36.7
81.03431	32.1
81.07061	100.0
83.04990	16.6
83.08621	23.7
85.02902	56.7
87.00848	32.7
91.05476	42.3
93.07044	83.2
95.04971	22.6
95.08607	96.2
95.09184	9.1
97.02884	37.9
97.06521	25.8
97.10147	10.6
98.49117	5.6
99.04477	11.3
105.01861	17.3
105.07030	70.6
107.04947	12.6
107.08595	73.1
109.02880	19.0
109.06518	25.3
109.10159	84.4
111.04451	21.6
111.08062	6.7
115.03952	13.2
117.07013	13.2
119.08575	66.6
121.06526	10.9
121.10152	54.3
123.04416	16.5
123.08087	16.6
123.11704	39.0
125.09633	10.6
127.03928	18.9
127.11195	23.3
129.01859	9.3
129.07039	10.5
131.08571	33.6
133.06502	6.7
133.10135	53.2
135.04376	8.1
135.08086	11.6
135.11697	33.9
137.09621	11.0
137.13235	16.7
139.03893	17.4
143.08575	10.3
145.10123	48.8
147.02907	9.2
147.08054	13.3
147.11693	42.1
149.09604	8.0
149.13275	23.2
151.11192	7.8
152.07109	7.5
153.12790	8.8
155.08531	9.6
157.10132	25.7
159.02914	7.6
159.08000	6.0
159.11690	46.2
161.09686	7.6
161.13297	19.9
163.03926	15.4
163.11180	9.0
165.05486	20.5
165.09096	11.4
165.12816	6.0
169.10083	11.8
171.11729	13.7
173.02318	11.4
173.13258	17.3
175.07555	6.1
175.11145	6.8
175.14861	11.7
177.12816	11.2
181.04915	10.5
183.11610	9.2
185.13239	13.8
186.27003	5.7
187.11159	5.7
187.14917	11.2
189.03944	9.9
189.09143	12.8
189.16406	16.6
191.14243	9.6
193.15880	6.1
193.19536	7.5
195.17572	6.3
201.03908	7.9
201.16483	14.5
203.17931	27.4
207.11778	7.1
213.16486	8.4
215.07051	12.9
219.17477	15.8
221.11731	7.0
221.19089	12.0
225.12717	10.1
233.18848	6.2
241.15869	11.5
243.13718	7.0
245.19116	7.8
259.09668	20.1
269.19287	6.7
277.10706	11.0
289.25119	5.6
293.19174	7.4
311.20081	23.5
329.21140	16.3
433.22409	8.2
451.23203	16.1
469.20157	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25298	0.3
53.03935	0.7
55.01868	1.7
55.05493	0.8
61.27119	0.3
65.03919	0.9
67.01863	12.6
67.02224	0.7
67.05474	1.2
69.01496	0.3
69.03417	2.0
69.07049	1.2
70.61894	1.0
73.06541	0.8
75.04361	0.3
79.05492	2.0
81.03400	1.2
81.07069	1.8
81.07462	0.3
83.04978	0.5
85.02885	1.6
85.06531	0.7
91.05467	3.4
93.07025	1.1
95.04955	1.0
95.08597	1.4
97.02879	1.1
97.06528	3.0
99.04457	0.4
103.11797	0.3
105.03368	0.4
105.06993	1.1
107.04950	27.0
107.08591	0.8
109.02857	1.0
109.06493	1.4
109.10101	0.9
111.04413	1.5
117.19895	0.3
119.03394	0.5
119.04951	2.8
119.08572	0.9
120.05249	0.6
121.06511	0.9
121.10115	0.7
122.03638	1.8
123.04395	1.0
127.03902	1.3
131.04890	0.4
131.08533	1.1
133.10138	0.5
135.04410	8.7
137.05974	2.5
138.09045	0.4
139.03896	2.7
143.08524	1.0
145.05014	0.4
145.06422	0.6
145.10130	0.7
147.04314	0.6
147.08105	0.4
147.11646	0.3
149.05975	2.5
150.03094	1.3
150.06354	0.3
151.03883	1.4
151.07408	0.4
159.08041	1.0
160.77870	0.3
161.02277	0.7
161.05910	0.4
161.09624	1.2
163.03873	2.1
163.07614	0.4
163.25842	0.3
165.05469	100.0
166.05864	2.1
171.08142	0.4
173.02359	1.7
174.06749	0.6
174.12852	0.3
175.07602	0.4
181.04919	0.9
187.07584	3.1
188.07857	1.8
189.09149	11.0
191.10684	0.5
193.05017	0.4
201.09169	0.4
207.06512	3.6
207.10204	1.2
215.07013	2.5
218.96635	0.4
219.10181	3.5
220.10464	2.5
221.11731	69.6
222.12057	1.4
249.07449	0.6
259.09711	2.8
260.10199	0.4
277.10693	2.8
307.13278	0.4
313.52240	0.4
369.11905	2.2
413.10767	1.7
438.81989	0.5
469.17044	15.8
469.23810	1.2
470.16751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03938	0.4
53.30908	0.2
55.01880	1.2
55.05500	0.4
57.03416	0.4
57.29121	0.2
66.04691	0.3
67.01864	12.4
67.05482	0.8
69.03435	1.6
69.07050	0.4
69.26030	0.3
69.26376	3.1
70.06597	0.3
73.06537	0.9
77.03915	0.3
79.05479	1.1
81.03394	1.1
81.07055	1.6
83.04955	0.3
85.02898	1.5
85.06512	0.8
87.04451	0.4
91.05480	1.3
93.07026	0.8
94.04144	0.4
95.04985	0.4
95.08599	0.9
97.02885	0.8
105.07009	1.0
107.04955	26.1
107.08572	0.6
108.05206	0.3
109.02853	1.0
109.06505	1.3
109.10168	0.5
111.04433	0.3
117.07043	0.2
119.03407	0.8
119.04906	0.5
119.08603	0.7
121.06500	0.9
121.10155	0.2
122.03629	1.9
123.04399	0.5
123.11636	0.4
127.03899	1.6
131.08530	0.5
135.04411	8.9
135.08020	0.4
135.11745	0.3
137.05977	2.1
139.03891	0.3
143.08556	0.7
145.10130	0.5
147.04474	0.3
147.08058	0.4
149.05983	2.3
150.03136	1.3
151.03871	1.4
151.07526	0.9
160.09651	0.3
161.05995	0.6
161.09621	1.1
163.03917	0.2
165.05473	100.0
166.05760	2.2
171.08119	0.4
171.11584	0.3
174.06744	0.6
179.06985	0.3
189.09099	12.2
191.10666	1.1
207.06538	4.7
207.10193	2.1
221.11723	72.2
222.12012	1.8
227.07169	0.2
231.06775	0.3
249.07573	1.0
263.12949	0.4
273.07581	0.3
351.52228	0.3
369.11768	1.7
413.10880	1.6
469.17020	16.5
470.17209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
53.26437	0.4
55.01857	1.8
55.05493	1.6
57.03423	0.7
61.02914	0.7
67.01864	13.0
67.05481	1.7
68.99776	0.7
69.03431	3.3
69.07050	1.9
70.06582	0.5
71.04974	1.1
71.59623	0.7
73.06536	0.9
76.21609	0.5
79.05491	2.4
81.03422	2.6
81.07060	4.1
82.73376	0.5
83.04974	0.7
83.08652	0.5
85.02898	3.3
85.06513	0.6
87.00814	1.0
91.05477	3.0
93.07041	2.5
94.04095	0.5
95.04946	1.3
95.08614	2.4
97.02862	2.0
97.06541	3.3
97.10146	0.5
99.04481	0.6
105.07018	2.7
107.04951	25.5
107.08595	1.9
108.05300	0.5
109.02869	1.3
109.06499	1.3
109.10166	2.8
111.04430	1.3
113.85430	0.4
119.04960	1.2
119.08612	2.3
121.06489	1.5
121.10133	2.2
122.03646	1.7
123.04443	0.9
123.08035	1.0
123.11657	1.0
127.03904	2.6
129.06978	1.2
131.08553	1.1
133.10149	2.4
135.04411	9.4
135.08055	0.7
135.11725	0.9
137.06000	2.8
137.09625	0.8
139.03923	3.1
143.08569	1.4
145.02852	0.7
145.05006	0.5
145.10101	1.9
147.04391	0.8
147.08037	1.0
147.11719	1.3
149.05969	2.6
149.09631	0.6
149.13260	0.8
150.03160	1.5
151.03891	1.6
153.12755	0.6
157.10109	1.1
159.08017	0.9
159.11693	1.9
160.08340	0.6
161.05965	1.1
161.09602	1.8
161.13217	0.7
163.03870	2.4
165.05475	100.0
166.05814	1.2
171.08043	0.7
173.02315	0.9
174.06819	1.3
175.07503	0.4
179.07101	0.6
180.23245	0.5
181.04936	1.5
187.07526	1.6
188.07993	0.6
189.09137	11.5
189.12798	0.5
191.10690	0.7
193.05013	0.5
203.14380	0.7
207.06584	4.3
207.10182	2.0
215.07004	1.6
219.10136	1.6
220.10553	1.1
221.11736	71.3
222.12115	2.2
231.10173	0.7
239.45857	0.5
249.07538	1.8
259.09659	2.8
263.12686	0.9
277.10712	1.7
311.20200	0.7
352.78717	0.5
352.87787	0.5
369.11850	2.1
413.10858	1.3
469.17078	16.1
469.23340	0.9
470.17075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01853	1.1
55.05493	0.5
57.03438	0.3
63.42060	0.3
64.20644	0.3
65.03918	0.3
66.04730	0.4
66.19051	0.3
66.19411	0.4
66.19775	0.3
67.01864	12.1
67.05489	1.1
69.03423	1.8
69.07059	0.6
70.65576	0.3
71.59056	0.3
73.06548	0.6
79.05490	1.7
81.03403	0.8
81.07056	1.9
82.96224	0.3
82.99618	0.3
83.04961	0.4
85.02909	1.8
85.06521	0.5
87.00831	0.5
91.05493	1.4
93.03389	0.3
93.07032	1.4
95.04943	0.6
95.08636	0.7
97.02892	0.9
97.06516	0.4
105.07021	1.2
107.04952	25.9
107.08601	0.8
109.02873	1.0
109.06522	1.1
109.10146	1.1
109.56694	0.3
111.04427	0.5
111.08099	0.3
119.03406	0.4
119.04899	0.3
119.08564	0.6
121.06474	0.9
121.10162	0.6
122.03608	1.7
123.04410	0.4
123.08042	0.4
127.03892	1.0
128.06296	0.3
131.04890	0.3
131.08543	0.4
133.06467	0.3
135.04411	9.7
137.05989	1.7
139.03900	1.0
143.08559	1.3
145.04922	0.4
147.04362	0.4
147.08073	0.3
149.06012	1.9
149.13235	0.3
150.03140	0.8
151.03897	1.2
151.07533	0.6
161.09598	1.2
165.05473	100.0
166.05768	2.1
173.04500	0.4
174.06889	0.7
179.07051	0.6
181.04889	0.5
187.07503	1.0
189.05476	0.6
189.09109	11.5
191.07045	0.6
191.10701	0.8
201.09146	0.3
205.04782	0.4
207.06493	4.0
207.10114	1.6
209.08096	0.4
221.11719	67.8
222.12047	1.8
249.07571	1.4
249.74226	0.4
263.12866	0.7
275.12781	0.7
301.86853	0.3
329.13879	0.4
364.79510	0.4
369.11658	1.4
413.10715	1.3
469.17026	15.0
470.17606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01869	1.5
55.05489	0.2
57.03437	0.3
65.03934	0.5
67.01865	14.5
67.05495	0.7
69.03443	2.0
69.07072	0.3
69.69912	1.7
73.06538	0.8
76.69042	0.3
79.05486	1.4
81.03404	1.0
81.07040	1.1
85.02921	1.8
85.06536	0.7
91.05495	1.3
93.07047	0.6
94.04190	0.6
95.04950	0.3
95.08588	0.6
97.02898	0.6
101.02369	0.5
105.03432	0.3
105.07043	1.2
107.04957	26.2
107.08575	0.4
108.05295	0.3
109.02874	1.0
109.06487	0.7
111.04433	0.4
115.05430	0.4
119.03381	0.7
119.04909	0.6
119.08539	0.5
121.06483	1.3
122.03666	1.8
123.04422	0.3
123.08110	0.4
127.03918	1.3
128.06161	0.3
131.08583	0.4
133.06468	0.9
133.10081	0.4
135.04420	8.9
137.05952	2.1
143.08546	1.1
145.04929	0.6
145.10115	0.3
147.04407	0.4
147.08052	0.3
149.05978	2.3
150.03105	1.0
151.03912	1.2
151.07520	0.6
161.05983	0.5
161.09647	1.1
165.05476	100.0
166.05811	1.5
169.10094	0.3
171.08075	0.2
174.06784	0.6
177.05457	0.4
179.07027	0.7
187.07570	0.3
189.09109	12.0
191.07108	0.5
191.10645	0.9
203.07083	0.3
203.10631	0.4
205.05023	0.3
207.06541	5.0
207.10170	1.9
221.11729	76.5
222.12180	2.1
231.10152	0.3
245.11815	0.4
249.07797	1.3
263.12796	1.3
264.11240	0.3
275.12820	0.6
369.11734	2.1
395.33994	0.2
413.10715	1.8
469.17084	15.3
470.17239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01860	0.8
57.03426	1.7
65.03917	0.9
67.05482	1.8
69.03427	5.5
70.06591	1.6
71.04969	0.7
71.16991	0.7
71.17328	1.1
79.05510	0.9
81.03431	1.1
81.07055	1.8
83.04980	0.7
85.02900	5.0
85.06587	0.7
86.09703	0.9
87.04449	1.7
87.52372	0.6
91.05472	1.1
93.03368	0.7
93.07030	1.0
93.29636	0.5
95.04959	4.5
97.02895	2.9
97.06551	0.8
98.09692	1.0
105.07050	0.8
107.04980	1.3
111.04460	3.3
114.61734	0.6
115.03880	0.7
119.04916	1.2
120.08082	0.7
123.04429	7.1
124.07552	1.1
127.03865	1.2
131.04932	1.1
135.04367	1.0
136.07545	1.2
137.05974	1.3
139.03883	7.7
140.04665	1.0
146.97665	0.6
147.04442	0.8
151.03960	1.1
155.07016	2.3
159.07855	0.7
161.05983	1.3
163.03926	1.6
164.07101	1.1
167.07059	1.3
173.69112	0.5
174.06837	0.7
175.03728	2.3
177.05511	1.0
181.04941	4.1
183.06577	4.2
185.04195	2.1
207.02863	2.1
213.09161	0.8
215.07079	0.7
217.08572	0.9
225.07567	0.7
252.87440	0.8
257.04556	1.4
259.09735	0.8
277.10596	3.2
305.06262	4.5
307.12851	0.8
307.19675	0.6
317.08459	35.2
321.35138	0.7
337.08899	1.6
377.90097	0.6
404.03561	0.6
409.08798	1.0
437.10434	5.4
451.32718	1.4
454.47971	0.8
469.13138	100.0
470.13614	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	468.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03941	1.4
55.01876	0.7
55.05511	4.7
56.81034	0.4
57.03427	0.6
58.06598	9.7
61.02924	1.7
67.01857	0.5
67.05504	0.7
69.03430	3.2
69.07076	0.7
69.52392	2.8
71.05006	0.6
72.08156	13.4
73.02919	0.7
73.04034	1.5
73.06557	2.8
75.09267	0.4
77.03955	0.5
79.05492	3.4
80.05796	0.4
81.03416	1.7
81.07056	1.5
85.02909	9.8
85.03424	0.5
86.02422	0.7
86.06082	0.4
91.03983	0.4
91.05490	0.7
93.07034	0.6
95.04966	2.3
95.08601	0.7
97.02886	3.8
97.06527	1.0
98.06071	0.5
105.07011	0.7
106.06553	100.0
107.04960	1.1
107.06880	0.9
107.08571	0.5
109.02892	1.1
109.06540	0.4
109.10138	0.5
111.04439	0.6
115.08685	1.1
116.07090	71.7
117.07458	0.6
119.08494	0.4
123.04433	0.7
127.03905	2.6
134.06015	2.9
135.04451	0.8
137.05896	0.4
139.03900	0.8
145.04915	2.2
147.11726	0.5
149.06065	0.5
149.13254	0.5
157.13365	0.8
160.09708	0.5
161.13248	0.4
163.03961	0.9
165.05493	3.2
173.02385	0.4
185.47885	0.4
189.09164	0.5
191.10449	0.4
191.11830	3.2
192.07718	1.9
215.07014	0.7
221.11662	2.7
234.12363	19.0
259.09668	1.7
306.18118	12.0
307.18732	0.6
400.37274	0.4
467.70367	0.4
468.21829	0.6
468.31165	0.6
469.17041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02390	0.4
52.88298	0.2
53.03944	0.9
55.01866	0.6
55.05512	4.9
57.03432	0.7
57.05815	0.6
58.06600	10.1
61.02925	1.1
63.54802	0.2
69.03433	2.9
71.04990	0.4
72.08157	13.3
73.02923	0.4
73.04034	1.4
73.06557	2.8
77.03944	0.5
78.04716	0.3
79.05494	2.4
81.03424	1.3
84.08101	0.2
85.02906	10.6
85.07696	0.2
86.02415	0.8
87.34831	0.2
91.03973	0.5
91.05457	0.3
95.04968	1.8
97.02889	3.6
98.06071	0.3
99.04469	0.4
102.09196	0.3
104.07082	0.4
106.06555	100.0
107.06858	1.1
109.02879	0.9
115.08710	1.4
116.07092	67.7
117.07452	0.8
121.10075	0.2
127.03913	2.3
134.06012	2.9
137.05913	0.2
139.03908	0.4
140.07030	0.2
145.04971	1.9
157.13379	0.8
163.03915	0.3
163.06033	0.2
191.11794	3.8
192.07701	2.4
216.38083	0.2
234.12369	19.1
235.12631	0.4
248.11319	0.3
251.08516	0.2
306.18118	13.7
307.18427	0.3
477.68661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
50.95326	0.4
51.02374	0.5
53.03951	1.0
54.27504	0.3
55.01874	0.6
55.05510	5.6
57.03438	0.9
57.05813	0.7
58.06598	9.7
59.76814	0.3
60.20390	0.3
61.02918	1.0
63.18033	0.3
69.03424	2.8
69.52589	2.4
69.53000	0.6
71.05004	0.6
72.08155	12.3
73.04044	1.0
73.06556	3.4
77.03929	0.5
78.04697	0.4
79.05488	2.9
81.03412	1.2
85.02905	10.0
86.02438	1.2
88.39395	0.3
91.03960	0.5
95.04980	1.7
97.02885	3.3
98.06073	0.5
99.04452	0.7
106.06554	100.0
107.06889	1.4
109.02868	0.8
114.03689	0.4
115.08681	1.2
116.07090	67.3
117.07466	0.6
123.04472	0.6
127.03894	2.3
134.06027	3.1
134.08154	0.6
145.04921	1.6
157.13319	0.9
162.54808	0.3
191.11827	3.0
192.07664	2.1
203.07722	0.4
234.12366	18.8
235.12816	0.5
298.73938	0.4
306.18106	11.0
398.34500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
54.40449	0.6
54.81909	0.7
55.01875	0.8
55.05509	12.9
57.03435	1.3
57.07074	35.3
59.05006	4.6
65.03932	2.4
67.05504	100.0
67.69508	0.6
68.05836	0.9
69.03436	0.9
69.07066	9.6
71.04989	2.9
71.08632	24.3
71.51479	1.2
79.05486	3.7
79.46729	0.7
81.07053	27.3
83.08617	16.4
85.06545	2.5
85.09637	1.1
85.10171	13.3
86.17593	0.8
91.05477	6.6
93.07047	3.5
95.08605	25.2
96.22271	0.8
97.10170	6.2
97.46187	0.6
99.11728	0.9
107.08612	1.8
109.10154	80.0
111.08096	2.5
111.11712	2.4
113.75629	0.7
118.05755	0.7
119.08582	5.5
123.11709	4.8
125.13253	1.4
135.34637	0.7
137.01912	0.7
137.05995	1.1
137.09619	3.2
137.13274	1.7
151.14885	1.0
155.10632	3.5
165.16383	0.7
173.11745	22.7
207.98857	0.7
221.22757	1.2
239.23703	7.0
356.82614	0.8
394.01532	0.8
467.37357	64.3
468.37494	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	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90070	1.3
53.60371	1.1
55.05513	10.6
57.03435	1.5
57.07076	35.3
57.47179	1.1
59.04985	2.6
65.03933	2.8
67.05503	100.0
69.03393	1.1
69.07076	9.2
71.04992	4.0
71.08633	25.3
71.33468	2.7
71.33799	1.3
79.05474	4.0
81.07059	26.4
81.10819	1.7
83.08627	15.9
84.24229	1.2
85.06544	2.1
85.10188	14.6
91.05470	5.5
93.07041	4.6
95.08604	28.8
97.10178	6.0
107.08580	2.4
109.10155	90.2
111.08099	3.2
111.11745	1.8
117.77035	1.3
119.08579	6.3
123.11716	5.9
137.09647	4.6
137.13181	2.0
155.10716	2.9
173.11736	33.5
173.13182	2.7
239.23605	8.1
271.44086	1.4
305.10098	1.2
307.68207	1.5
430.60123	1.3
467.37357	72.4
468.37683	3.6
474.90399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88587	1.6
53.03963	2.4
56.96565	5.6
67.05502	2.2
69.03429	5.1
69.07063	4.2
69.78034	8.1
69.78445	3.7
70.06570	2.1
81.03419	4.7
81.07050	2.1
85.02911	6.3
91.05483	11.8
94.06558	8.0
95.04971	2.0
97.02877	3.5
98.97567	8.2
110.06052	4.2
110.41796	1.7
116.04990	6.0
116.98626	7.7
117.05811	2.8
118.06544	41.5
119.04902	3.3
119.07302	10.2
120.08114	18.1
122.06035	12.6
123.04471	1.8
124.07616	4.9
126.15393	1.7
127.03938	2.5
127.08621	2.1
128.98587	3.2
131.04936	2.0
133.28712	1.8
134.06059	2.7
134.99701	2.1
136.07593	3.1
137.06004	5.6
138.05563	2.4
139.03917	8.5
140.07030	13.2
140.48941	1.7
142.08644	4.1
146.06007	46.0
146.99692	3.4
147.04523	2.2
147.06802	15.8
148.07564	40.5
151.03897	3.8
152.07089	2.0
154.08635	9.5
154.17149	1.8
161.01306	3.5
163.03915	3.2
164.07068	52.1
164.08406	3.8
177.00626	2.1
186.09158	1.9
189.11440	2.8
198.12770	2.9
199.09947	2.3
214.12279	5.6
216.13951	2.8
224.10698	2.6
225.21407	1.7
226.12311	5.0
227.01677	1.6
237.02827	5.5
241.13382	6.1
242.11804	21.1
243.14897	31.1
254.10568	2.4
259.14474	3.6
261.16071	4.2
269.12869	19.7
270.11249	33.4
284.43863	1.9
287.13879	100.0
290.10312	4.8
293.09161	12.8
305.14938	55.3
308.11255	3.3
337.03601	1.8
364.47369	1.9
395.58478	1.9
425.13385	5.1
431.18054	2.8
449.19153	6.8
467.14050	6.0
467.20093	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	467.1892
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
55.01871	0.6
56.96566	0.6
58.13902	0.5
59.85317	0.5
65.91341	0.7
69.03411	0.7
69.07059	0.7
70.19607	2.5
75.67390	0.6
82.04053	0.5
84.87395	0.6
85.02894	2.4
95.04949	0.8
96.08083	0.5
97.02895	0.9
109.02901	0.7
111.04437	0.6
120.08102	0.7
123.04428	2.4
132.90927	0.6
136.07515	0.8
137.05997	2.6
139.03896	3.5
146.06056	0.8
147.04390	1.1
148.07629	0.7
149.02338	0.6
151.03928	0.7
153.01779	0.6
163.03902	2.6
164.07050	2.0
171.05052	2.2
195.01097	1.4
220.11868	0.6
259.05835	0.7
261.13474	0.7
279.14484	6.2
287.12460	1.0
297.15466	3.7
305.12418	1.9
305.15234	1.6
323.13458	6.7
331.00485	0.6
347.13431	5.8
359.13239	0.6
365.14471	5.6
388.16125	1.3
449.17978	2.3
467.18887	100.0
468.19150	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	467.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89909	0.4
55.01867	0.8
55.05517	0.8
57.03442	0.4
59.04995	2.2
61.11768	0.3
65.02840	0.3
65.03941	0.4
66.60122	0.4
66.90041	0.3
67.01866	0.4
67.05508	1.1
69.03432	2.0
69.07073	1.0
69.31416	2.6
69.31816	1.0
75.38061	0.3
79.05490	1.0
81.03421	1.1
81.07066	1.7
83.04988	0.5
85.02903	1.8
87.00848	0.5
91.05482	9.1
93.07017	0.9
95.04959	0.8
95.08617	1.5
97.02894	1.1
97.10158	0.4
98.09711	0.4
99.04467	0.4
103.05498	0.4
105.07014	2.0
107.04950	0.8
107.08620	0.6
109.02869	0.6
109.06494	2.4
109.10117	0.5
111.04462	1.2
115.05516	1.6
116.06235	2.3
117.07003	0.7
119.04940	31.3
119.08600	0.7
121.06503	0.8
121.10139	0.6
123.04425	0.8
127.03918	1.1
128.06229	1.0
129.07005	1.9
130.07791	0.6
131.08560	13.4
133.06477	0.7
133.10144	0.7
137.05983	0.6
139.03845	1.8
141.06976	1.6
143.08565	2.3
144.05693	1.7
145.06470	0.9
145.10109	0.8
147.11772	0.4
149.06075	0.4
149.09705	0.5
151.07539	0.5
153.05452	0.5
157.06424	0.4
158.07272	2.7
159.08052	24.9
160.08711	0.6
161.05986	2.7
161.09648	1.8
161.13239	0.4
163.03925	0.4
163.07568	0.4
165.05449	0.7
169.06476	1.1
171.08057	1.0
173.09685	1.6
174.06796	0.8
175.07463	0.5
176.08310	0.5
177.05420	0.6
186.06726	2.1
187.07544	69.4
188.08163	1.3
189.05469	6.8
189.07138	0.6
189.07460	0.5
189.09082	4.1
191.07155	0.4
191.10666	0.4
201.09105	6.3
201.16394	0.6
204.07896	1.7
205.08583	1.3
219.10159	100.0
220.10474	1.1
229.08607	0.7
243.10179	0.5
261.11243	2.0
285.11087	0.4
305.24582	0.4
361.16843	0.5
467.15488	8.2
467.21652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29060	0.3
55.01871	0.7
55.05511	0.6
57.03827	0.3
59.05009	2.2
65.03952	0.7
67.01871	0.5
67.05504	0.9
69.03425	2.2
69.07073	0.6
69.56898	1.9
73.02905	0.4
79.05494	0.6
81.03419	1.2
81.07072	1.7
85.02890	1.9
85.06537	0.4
85.29230	0.3
85.94442	0.3
91.05483	7.8
93.07043	1.4
95.04967	0.7
95.08618	0.7
97.02883	0.8
97.10210	0.3
98.09693	0.4
99.04476	0.4
103.05451	0.6
105.07035	2.2
107.04961	0.6
107.08571	1.4
109.02902	1.0
109.06510	1.7
109.10154	0.6
111.04430	1.7
111.08068	0.5
115.05462	1.3
116.06234	2.1
117.07036	0.9
119.04945	32.7
119.08553	1.0
121.06483	1.0
121.10151	0.5
123.04438	1.0
123.08093	0.4
123.11731	0.5
127.03873	0.5
128.06236	1.5
129.06989	1.9
130.07780	0.7
131.04932	0.4
131.08571	13.4
133.06541	0.6
133.10120	0.6
135.11734	0.4
137.05963	0.6
139.03880	2.6
139.11249	0.3
141.07021	1.5
143.08554	2.8
144.05713	2.0
145.06487	0.9
145.10152	1.1
147.04422	0.6
147.11655	0.5
149.09552	0.3
149.13287	0.5
151.07532	1.0
153.05533	0.4
155.08498	0.5
157.06586	0.4
158.07272	2.2
159.08057	24.5
160.08681	0.3
161.05968	2.8
161.09625	1.7
161.13147	0.3
162.06740	0.5
163.07625	0.3
165.05466	0.7
168.13852	0.3
169.06499	1.1
170.15442	0.5
171.08034	0.8
171.11743	0.4
173.09625	1.6
174.06816	1.1
175.07643	0.3
176.08334	0.4
177.05464	0.5
186.06810	2.0
187.07550	75.6
188.08240	1.4
189.05469	7.2
189.09096	3.0
191.07034	0.6
191.10684	0.7
198.14885	0.6
199.52626	0.3
201.09120	7.2
203.10577	0.4
204.07806	1.3
205.08575	1.5
217.08615	0.3
219.10165	100.0
220.10695	0.6
229.08575	0.7
243.10168	0.5
245.04561	0.3
261.11157	2.1
303.12350	0.5
322.15424	0.3
361.16928	0.5
467.15488	9.1
467.22198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53452	0.4
53.03960	0.4
55.01873	0.8
55.05503	1.1
56.96543	0.4
57.03433	0.7
59.04999	2.4
65.03913	0.7
67.01878	0.8
67.05491	1.6
68.04486	0.3
69.03420	2.7
69.07059	1.0
70.06596	0.4
71.05013	0.6
71.58707	0.4
72.08161	1.2
79.05483	1.2
81.03421	1.3
81.07051	2.1
83.04973	0.7
85.02903	2.6
87.00831	0.5
88.07544	0.3
91.05482	8.9
93.07050	1.6
95.04959	1.2
95.08615	1.9
97.02898	1.1
97.06535	0.5
97.10168	0.8
99.04491	0.6
101.02402	0.4
105.01849	0.4
105.07021	3.0
107.04945	1.2
107.08583	1.3
109.02866	1.1
109.06516	1.9
109.10153	1.3
111.04436	1.3
111.08026	0.4
115.05443	1.3
116.06241	2.6
117.07004	1.2
119.04941	34.6
119.08575	1.5
120.08115	0.7
121.06499	0.5
121.10136	1.0
123.04433	1.2
123.08020	0.5
123.11732	0.5
127.03906	1.2
128.06230	1.4
129.07018	2.4
130.07736	0.7
131.08559	14.0
133.06487	0.6
133.10130	1.3
135.04404	0.9
135.07986	0.3
135.11671	0.5
137.05968	1.5
139.03923	1.8
139.11197	0.4
141.06998	1.6
142.07800	0.4
143.08546	2.3
144.05704	1.7
145.02861	0.5
145.06465	0.9
145.10130	1.3
145.76662	0.4
146.07191	0.4
147.04362	0.8
147.11658	0.5
149.05997	0.7
149.13225	0.7
151.03915	0.9
151.07535	0.9
157.07625	0.4
158.06053	0.7
158.07265	2.4
159.03011	0.4
159.08054	24.6
159.11639	0.6
161.05975	3.6
161.09560	1.6
162.06696	0.5
165.05467	1.0
165.12732	0.4
169.06483	0.6
171.08032	1.3
173.05954	0.4
173.09590	1.6
174.06761	1.0
175.07452	0.4
176.08316	0.4
177.05482	0.7
186.06735	1.6
187.07536	74.8
188.08112	1.6
189.05463	6.4
189.09065	3.0
191.03398	1.9
191.10628	0.4
201.09048	7.3
204.07805	1.4
205.08598	1.6
219.10155	100.0
220.10500	1.5
229.08621	0.4
237.02682	0.4
261.11316	2.1
361.10019	0.4
380.99701	0.3
467.15405	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	467.1547
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
55.01864	1.5
56.51333	1.0
57.03434	1.4
61.02919	1.9
67.03122	1.0
67.05502	2.5
67.80999	1.1
68.99794	1.1
69.03433	6.7
70.06577	1.1
71.58909	1.6
73.02912	1.1
78.20757	1.0
79.05455	1.5
81.03411	3.2
83.04970	1.4
85.02904	15.3
86.09721	1.2
89.03968	1.1
91.05442	1.6
93.07047	1.2
95.04983	2.6
97.02911	7.6
97.06512	1.3
99.04456	1.4
102.36011	1.1
107.04950	1.4
109.02908	1.5
109.06495	1.4
111.04440	3.0
119.04935	3.8
120.08047	1.3
121.82440	1.1
122.03638	2.6
122.06033	1.6
123.04406	3.0
127.03898	3.3
133.10196	1.6
135.04437	2.7
136.07637	2.0
137.05977	82.7
139.03905	100.0
143.05023	1.0
145.04970	1.9
147.04417	20.2
149.06006	2.0
151.03900	3.9
161.05914	1.5
163.03915	16.0
164.07043	2.5
175.03932	1.3
175.07553	1.9
177.05428	3.2
179.06987	9.5
181.04955	4.1
190.90956	1.2
205.04900	5.2
227.09491	1.2
243.15186	1.6
245.04335	1.3
247.06007	1.6
252.97885	1.3
265.07050	1.3
269.12744	1.6
269.20132	1.5
271.06180	1.3
287.09268	3.9
287.13873	5.2
305.10187	6.2
305.14886	5.2
328.02585	1.1
353.10245	1.1
397.53174	1.4
449.26202	4.5
467.20538	1.4
467.27579	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54601	2.9
55.01867	12.2
55.05512	89.5
57.03423	5.9
57.07066	11.7
61.51390	2.9
65.03941	2.8
67.05505	32.7
69.03423	8.2
69.07081	17.6
69.34178	2.8
70.10766	10.2
70.11190	7.7
71.08623	7.3
72.76304	3.2
79.05489	35.5
81.07061	32.6
82.07370	3.4
83.04985	6.3
83.08624	46.9
91.05479	10.1
93.07034	17.2
95.08592	14.8
97.06543	5.1
97.10172	85.3
98.98474	22.7
103.05448	5.6
105.07042	7.2
107.08605	38.8
109.10162	8.6
117.07040	10.1
119.08562	5.4
125.09634	100.0
125.10555	5.0
125.13243	3.1
127.50835	3.0
129.06999	6.7
131.04893	3.5
131.08577	8.4
132.87286	3.1
135.08047	23.2
135.08957	3.9
143.08603	3.6
153.09123	14.7
155.01038	15.6
157.12238	10.8
171.10161	4.4
197.13237	3.7
203.12791	92.0
213.12772	4.2
215.14273	26.0
216.46513	3.1
245.15604	3.7
247.16930	6.2
311.25955	4.6
312.26160	17.9
313.27420	16.8
319.69827	3.1
349.21619	6.5
366.20065	3.8
367.22717	16.3
381.24091	10.9
399.25302	60.2
431.27948	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
54.01355	3.2
55.01864	7.8
55.05495	12.3
57.03421	8.0
58.06593	3.7
61.02920	4.2
67.05508	42.4
67.38609	3.1
69.03439	17.4
69.07072	20.0
69.49445	28.7
70.03734	3.7
71.05009	6.2
73.02895	3.8
79.05495	31.6
81.03423	21.5
81.07055	57.8
82.03700	3.6
83.04958	4.7
83.08628	8.5
85.02901	33.1
85.06516	4.3
87.00845	7.3
88.06671	3.7
91.05465	12.4
93.07040	40.5
95.04997	7.7
95.08610	19.0
95.09096	3.6
97.02888	22.8
97.06526	12.3
99.04444	9.2
100.11234	5.3
101.65076	3.4
105.01858	6.6
105.07001	9.8
107.08573	23.2
109.02888	13.9
109.10170	7.3
111.08079	6.5
113.59440	3.5
115.03922	6.9
117.07018	5.9
119.04931	3.6
119.08589	7.4
121.06530	6.2
121.10142	13.6
123.04442	13.8
123.11668	5.0
127.03899	31.2
128.04312	5.3
131.08539	11.4
132.04802	3.8
133.04994	6.6
133.10132	6.6
135.11714	9.6
137.05951	5.0
141.60904	3.6
145.04935	11.1
147.11673	7.0
149.13254	31.8
159.08086	3.6
159.11705	12.4
163.03886	4.0
177.12703	8.6
187.07539	6.7
195.13821	30.8
195.16521	4.0
205.15468	3.9
213.14798	10.0
219.10187	5.9
231.04915	8.0
269.17468	100.0
339.17969	14.2
357.18881	3.6
431.62778	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	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22053	3.8
55.05505	9.5
57.03440	8.4
61.02917	3.2
62.01056	3.1
67.05508	24.5
68.75092	3.1
69.03428	5.3
69.07071	12.9
69.54083	8.1
69.54491	21.8
71.04984	3.2
72.00024	3.3
78.05641	3.6
79.05505	17.6
81.03432	8.3
81.07061	44.9
83.04974	5.6
83.08629	3.7
85.06519	4.1
91.05486	14.9
93.07039	33.7
95.04956	7.7
95.08598	14.4
97.02869	7.0
97.06539	10.2
105.07037	7.1
107.04980	6.8
107.08595	16.5
109.10155	6.0
119.08572	7.7
120.08143	4.6
121.06528	4.7
121.10128	14.9
123.04416	7.1
131.08560	5.8
133.10028	7.9
135.11661	7.6
137.05991	9.2
139.11174	4.6
140.17841	3.2
149.09683	4.9
149.13223	18.4
152.07205	4.4
159.11673	10.3
164.72276	4.1
167.07071	5.9
168.26447	3.2
177.12669	6.9
187.07578	5.0
195.13777	8.1
244.09653	4.5
245.04364	3.9
269.17459	100.0
269.20166	6.6
340.37091	4.0
426.02139	4.2
466.19427	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	466.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95931	6.0
55.28711	7.5
56.96552	10.1
57.03431	23.6
57.42341	6.4
69.03421	87.0
69.52769	48.8
76.62771	7.7
81.03421	13.3
85.02902	59.2
87.04469	49.4
88.00397	6.7
91.05448	8.4
95.04974	6.7
96.42812	7.5
97.02890	65.3
98.92975	6.9
102.49084	7.3
106.33551	7.5
115.03911	72.5
119.04897	9.4
123.04447	13.4
127.04036	7.3
133.04987	95.5
137.05971	100.0
147.04430	13.4
151.07501	15.9
154.04996	9.8
161.05914	12.0
163.03912	28.1
165.05498	44.5
173.06107	8.0
175.07533	7.7
179.07002	42.0
221.08049	16.1
224.88701	7.6
229.99615	7.8
233.08134	33.0
251.09142	21.2
330.59933	7.4
380.21851	7.5
390.41278	7.1
473.00793	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
56.50335	1.7
59.59114	1.7
61.23570	1.6
62.80045	1.7
67.05514	3.6
69.03425	9.3
69.07055	3.6
70.00107	10.1
70.80400	1.6
71.04990	2.3
71.11294	1.8
79.05485	1.8
81.03409	3.7
81.07033	2.3
85.02892	12.3
94.06578	3.5
97.02887	3.9
98.20793	1.9
106.06577	2.4
110.06065	6.4
120.04485	8.2
120.08136	4.1
122.06048	7.1
124.07586	4.5
127.03860	2.1
132.08127	2.9
133.10155	2.4
134.06015	6.6
137.07121	3.1
140.07048	11.4
141.07855	5.4
142.08635	16.0
146.05998	4.2
148.07571	4.9
149.75012	1.8
152.07114	4.2
154.08655	2.1
160.07533	2.0
162.05505	78.7
164.07077	3.2
174.07835	3.3
174.09225	2.5
176.07048	4.4
178.08620	2.7
188.07045	2.7
194.08086	4.5
198.09209	2.4
199.08640	3.1
200.09306	3.9
201.10213	7.1
213.10220	6.3
214.08943	3.5
214.10889	4.4
215.11780	8.8
225.10196	2.8
226.08763	2.3
227.08282	2.8
227.11865	5.5
229.09863	4.2
229.13406	2.8
230.08228	2.4
230.10493	2.8
233.09395	2.0
239.11874	5.5
241.09766	3.7
242.10359	3.5
243.11258	6.4
250.10977	2.2
255.11304	15.7
256.12030	2.8
257.12845	5.4
258.11337	2.3
261.12430	7.9
267.11295	4.0
269.12790	5.9
270.13751	2.4
273.12488	2.9
275.13953	4.6
279.10864	2.4
281.13095	3.7
283.10883	2.8
285.12341	6.8
286.10831	5.0
287.10852	1.9
287.13983	6.6
297.12448	7.7
299.14001	14.6
301.11844	4.1
302.12488	3.8
303.13382	51.7
315.13345	33.6
316.14102	23.4
317.14890	6.4
323.10422	2.4
325.11847	2.6
327.13339	2.0
343.12891	5.6
345.14438	2.7
347.15732	2.4
355.16544	3.4
357.14511	1.9
365.14926	2.9
375.15607	13.9
383.16306	5.5
387.15594	2.8
393.14658	4.4
399.15463	17.2
401.17059	2.0
411.15427	12.7
429.16638	46.4
430.16858	2.0
447.17627	86.3
448.17654	3.8
465.18710	100.0
466.19012	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	465.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24004	0.5
57.85325	0.6
62.05796	0.8
62.22928	0.6
69.03434	0.9
70.17872	2.8
79.05447	0.6
81.07048	1.5
87.40531	0.6
93.07038	0.7
95.04962	0.8
98.21445	0.7
105.07033	1.1
107.08614	0.7
109.10175	1.0
121.10137	0.7
127.00037	0.6
154.01559	0.7
167.03197	1.3
201.05257	1.5
214.49533	0.6
216.07590	11.8
217.08363	16.2
226.00990	0.7
227.05339	2.4
256.07950	0.9
269.41037	0.7
271.04297	5.4
379.13651	6.2
403.13556	0.8
421.14691	51.4
422.15033	1.5
447.46866	0.7
465.13705	100.0
466.13922	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	465.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.6
57.07063	0.9
66.25497	0.8
67.05505	3.2
67.84915	0.8
69.03432	1.6
69.07062	2.1
69.78419	6.6
71.19725	0.9
77.37982	0.9
79.05492	2.0
81.03417	1.3
81.07064	4.2
85.02901	1.7
85.57755	0.9
87.90582	0.9
91.05509	1.3
93.07030	2.0
95.08594	3.4
97.10185	1.2
103.60742	0.9
105.07013	2.5
107.08595	2.2
109.10152	1.2
115.16595	0.9
119.08546	1.7
121.06486	1.4
121.10123	1.7
127.00032	1.3
133.10138	1.2
147.11652	1.1
158.11722	1.7
159.11928	1.4
161.06027	1.5
165.05495	1.1
175.14908	1.1
201.05252	4.1
216.07584	26.3
216.09666	1.7
217.08345	16.4
217.12161	1.0
227.05292	3.2
271.04236	5.8
285.16934	1.2
379.13757	6.9
395.42740	1.1
421.14667	51.6
422.15338	1.0
434.11722	1.4
465.13675	100.0
466.14133	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	0.7
55.77923	0.4
57.03431	1.1
61.02919	1.2
67.91624	0.4
68.99807	0.6
69.03429	3.6
70.06535	1.3
70.06940	1.0
73.02898	0.5
77.49542	0.4
81.03392	2.2
82.93629	0.5
84.44569	0.4
85.02903	7.9
87.04476	0.5
91.03936	0.7
93.03365	0.5
93.07056	0.5
97.02885	2.9
98.20860	0.6
99.04454	0.5
104.55710	0.4
109.02869	1.8
111.00793	1.1
121.02891	1.1
127.03912	2.2
137.02348	4.7
145.04933	1.8
145.06548	0.4
146.30615	0.4
149.02345	0.5
153.01816	4.6
163.03941	0.6
165.01796	2.0
183.02905	0.8
183.04366	0.4
199.79898	0.4
201.05479	2.1
202.84229	0.5
210.14868	0.7
229.05000	5.9
239.03290	0.6
247.06058	1.0
257.04416	3.0
274.04623	0.8
285.03967	1.4
303.04987	100.0
304.05319	2.2
412.62872	0.4
465.17456	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	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01864	3.3
55.05502	2.8
57.03423	6.7
60.04515	1.9
61.02913	2.6
69.03428	25.3
70.06587	2.8
71.21648	1.8
71.58131	4.5
73.02903	2.0
81.03401	8.6
81.07056	1.9
83.15311	1.8
85.02901	32.8
87.00805	5.8
87.04462	9.6
91.03949	2.0
91.05475	5.2
93.07037	2.4
97.02884	20.1
99.04451	4.1
102.05546	2.7
103.05399	2.4
105.01862	6.2
109.02893	5.4
110.07201	2.8
112.03960	100.0
115.03926	10.2
116.07102	2.2
121.06527	3.5
123.04429	3.6
127.03917	14.3
131.40755	1.8
131.69302	2.0
133.04956	8.7
136.03929	4.7
137.06009	2.4
145.04932	7.1
149.05983	3.0
152.07079	2.0
154.04974	2.9
163.03827	3.2
166.06346	3.5
166.08641	2.9
170.08112	61.9
181.08588	34.7
187.07562	2.7
199.09631	18.0
213.05791	2.1
213.07527	2.0
223.09708	9.6
231.05006	3.2
237.02881	2.0
247.09514	2.0
265.10818	2.9
279.10571	4.7
289.10602	5.7
302.19583	4.8
307.11673	5.4
332.13400	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	464.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
55.05504	4.0
65.89832	1.6
67.05499	8.3
68.99799	9.7
69.03422	4.9
69.07063	16.6
70.61565	3.8
70.61956	3.6
71.04973	2.7
72.08131	3.9
74.00631	1.8
79.05474	6.6
81.03411	3.8
81.07051	14.8
85.02898	3.7
86.06056	5.2
86.09685	4.1
87.04465	4.1
91.05473	6.8
93.07040	7.7
95.04945	5.7
95.08611	6.1
97.02885	3.1
97.06506	2.2
98.06066	10.9
103.05431	4.9
105.07029	4.8
106.32428	2.1
107.04958	6.9
107.08589	2.8
109.02873	4.0
109.10090	3.0
111.04424	2.0
117.07024	2.2
118.05074	1.7
120.01141	3.3
121.06503	17.6
122.02679	1.9
123.04423	22.3
123.08062	2.8
123.11610	2.2
124.02175	2.7
130.08661	2.0
131.04889	2.8
131.08568	3.4
133.10069	2.4
135.04420	19.7
135.11673	2.0
137.05963	9.3
139.03873	7.8
140.10692	9.8
143.08578	2.3
147.04395	18.7
149.05977	100.0
151.03900	1.9
158.11778	33.4
159.04411	4.1
159.08005	3.2
161.05975	7.8
161.09584	2.1
163.54590	1.7
165.03673	1.9
165.05505	3.1
167.01578	3.4
177.05463	17.2
179.01610	5.0
179.07033	4.9
181.03073	2.2
184.07372	14.5
187.07527	3.1
189.09087	5.4
191.01662	10.8
191.10666	31.6
193.03194	19.7
195.10106	3.6
197.09581	2.4
200.90762	1.9
201.09134	2.5
202.14380	8.2
205.12199	4.3
207.10193	9.1
209.02585	3.9
209.06276	7.3
211.04240	2.1
215.10704	4.4
217.12173	2.4
219.01149	5.0
221.06253	4.9
223.07687	2.9
229.08572	5.7
233.11725	41.2
234.05811	5.9
235.13225	16.3
236.07362	3.5
237.02208	9.9
237.05780	2.2
241.08505	3.3
247.07733	9.4
249.09428	2.3
251.07062	7.2
254.04865	2.2
257.08023	6.4
265.09024	13.5
269.08090	16.9
269.80716	1.9
280.06393	6.0
290.12015	3.1
293.08389	6.4
298.07379	5.2
298.10666	2.8
310.11023	6.8
325.14322	14.6
336.12643	12.3
343.15298	12.4
354.13770	9.6
371.51416	2.3
390.10168	3.1
397.34277	1.9
399.47772	1.9
446.16357	5.2
446.27747	10.5
458.64969	2.6
464.17877	10.8
464.29248	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	463.3783
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
50.22730	0.3
55.05506	1.7
57.07077	0.8
62.21108	0.3
67.05506	5.1
67.43380	0.3
69.07066	1.7
69.27124	0.4
71.08623	0.5
73.71502	0.3
79.05473	1.2
81.07055	3.8
83.04966	0.6
83.08602	1.2
91.05467	0.7
92.64955	0.3
93.07040	1.7
95.05028	0.4
95.08604	3.2
97.10161	1.2
98.21478	0.6
98.97759	0.3
105.07020	0.4
106.64077	0.3
107.04945	0.4
107.08579	1.0
108.18030	0.3
109.10155	5.7
111.11703	0.6
119.08563	2.6
121.06493	0.8
121.10107	0.5
122.07309	1.6
123.11702	1.6
135.11697	0.8
137.09618	10.7
139.07513	0.3
149.09608	1.5
149.13243	0.9
163.14835	0.4
164.08304	0.9
165.09108	100.0
166.09444	2.2
195.32660	0.4
275.27325	0.8
337.51974	0.4
363.67819	0.3
396.95328	0.3
445.36490	0.6
463.37466	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	464.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.6
55.05508	4.7
58.99569	3.8
59.57791	2.3
61.02901	3.0
67.05493	10.1
68.99775	11.5
69.03421	6.4
69.07068	28.4
71.04974	2.8
71.59358	2.9
72.08186	4.9
74.00656	3.2
76.02222	5.7
76.59721	2.1
79.05483	10.5
81.03414	5.6
81.07051	20.9
81.97370	1.9
82.07394	3.1
83.04976	2.8
85.02917	3.3
86.00637	3.9
86.06046	3.9
86.99059	3.2
87.04468	6.2
91.05491	12.6
93.07040	10.4
95.04967	5.9
95.06064	2.5
95.08607	6.9
97.02906	2.8
98.06048	11.5
101.00658	2.4
103.05473	6.4
105.07044	11.1
107.04929	11.6
107.08559	3.2
109.02891	6.1
109.06517	4.4
109.10139	4.6
111.04437	9.2
117.58020	2.4
119.04931	5.2
119.08575	6.0
120.01170	3.2
121.06497	14.9
122.02726	11.9
123.02615	3.6
123.04428	63.7
123.08092	2.3
126.00121	2.8
130.08635	2.9
131.04916	10.9
131.08591	4.9
132.01131	8.7
133.06499	7.3
133.10126	7.0
135.04361	14.1
137.02342	9.1
137.05960	8.6
139.03877	3.4
140.10683	8.1
141.07030	3.2
143.08539	5.5
145.06477	5.7
145.10089	5.8
146.02635	3.9
147.04410	57.6
149.05981	100.0
149.09581	2.1
151.02136	8.2
157.10152	2.7
158.07230	2.7
158.11757	30.2
159.04440	8.9
159.08003	3.8
159.11723	4.8
160.05229	5.5
161.05986	23.1
163.03897	4.5
163.07516	4.1
165.07040	6.2
167.01617	4.5
167.08531	4.1
167.10739	2.3
169.06456	3.4
169.10071	2.7
171.08032	3.7
172.00664	11.4
173.05994	7.9
173.09595	8.1
175.03938	5.4
177.04094	2.7
177.05522	11.2
177.06837	2.7
177.09134	3.5
179.01651	18.9
181.03189	3.8
183.08116	5.5
185.05981	6.2
187.07544	9.6
187.11258	4.4
188.08369	4.1
188.23770	2.2
189.09129	10.3
191.10678	12.8
193.03174	8.1
193.06763	12.5
195.08139	6.2
197.06015	7.8
197.09627	3.4
199.07507	6.0
201.05460	5.1
202.14401	6.6
209.06174	4.6
210.06700	2.8
211.07533	13.2
213.05621	3.7
213.09081	6.6
215.07059	5.4
215.10675	9.1
221.06288	17.2
223.07727	11.0
225.09119	2.7
227.06973	12.0
229.08682	5.7
233.08078	14.6
233.11749	10.0
235.07785	2.3
235.13368	6.0
237.09135	3.4
239.07018	69.4
241.08600	8.7
247.07843	6.0
249.09175	3.3
251.07048	22.8
255.06480	11.0
257.08099	28.1
264.10547	5.2
265.08737	8.5
265.12283	8.1
267.10089	3.5
267.15317	2.3
268.06323	5.4
269.08136	46.5
271.04269	8.5
279.13708	11.4
283.13254	4.4
289.05267	13.3
293.08374	3.7
297.14844	46.5
303.06912	4.3
307.13309	42.7
310.11157	12.9
325.14380	61.3
336.12753	17.3
343.15466	6.8
354.13593	5.0
357.11453	5.6
360.09003	9.2
372.09006	4.7
378.10132	4.0
390.09872	11.5
402.27448	3.1
428.15323	14.4
446.16327	13.8
446.27435	10.4
464.17377	10.3
464.28271	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
54.72477	1.8
55.01856	7.2
55.05511	31.1
56.41909	2.1
57.03429	8.5
57.07076	2.6
60.27346	1.9
65.03930	5.4
67.05505	95.2
69.03445	3.7
69.06716	3.6
69.07066	36.9
71.04992	8.6
75.08214	1.9
79.05494	75.2
80.05846	2.0
81.03403	7.7
81.07057	100.0
83.04980	9.1
83.08622	21.4
85.06531	3.9
91.05477	72.0
93.07044	77.2
94.07415	2.1
95.04977	15.8
95.08604	49.6
95.09173	4.1
96.08930	3.1
97.06522	14.2
97.10150	9.0
98.98955	1.9
99.04463	2.4
99.08108	4.9
103.05496	2.5
105.04520	2.0
105.07027	62.3
107.04967	7.7
107.08596	42.7
109.06515	8.7
109.10152	16.7
111.08089	7.3
113.09647	2.4
115.05451	5.1
117.07018	33.0
119.08578	34.7
121.06498	10.3
121.10132	28.1
123.08067	4.3
123.11747	4.8
125.09635	5.3
128.06236	4.4
129.06993	16.8
130.07832	2.2
131.08569	51.2
133.06511	3.5
133.10123	25.0
135.08043	6.3
135.11674	25.2
139.11121	2.4
141.06979	7.7
142.07745	3.1
143.08586	16.9
145.06493	6.7
145.10107	28.0
147.08009	4.1
147.11679	7.0
149.09659	5.3
149.13257	27.6
151.11209	4.3
155.08542	9.3
157.10115	11.7
159.08090	3.3
159.11702	18.0
161.09601	4.5
161.13280	4.5
163.11180	14.6
167.08582	4.0
169.10164	10.4
171.11693	10.0
173.13278	6.6
177.12804	5.2
181.10091	5.1
181.12277	2.3
183.11707	7.4
185.13339	3.2
187.14842	4.6
195.11798	4.3
195.13811	9.1
197.13252	7.2
199.14917	3.6
211.14880	4.8
213.12784	3.2
213.14862	2.5
219.13873	4.9
223.14824	3.6
227.12633	18.4
229.24152	2.2
229.77629	2.4
233.15491	2.3
247.16858	3.9
261.18558	3.5
273.18414	3.0
325.25171	7.8
335.23651	7.7
343.26361	10.2
353.24738	33.5
371.25861	36.6
389.26868	29.6
417.29437	2.1
427.28616	4.3
445.29514	58.2
446.29697	2.7
463.30908	47.9
464.31171	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	463.3035
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.72551	2.0
54.37718	2.3
55.05502	6.9
55.28371	2.2
57.03431	4.1
67.05172	2.7
67.05506	31.6
69.07077	10.9
71.04997	3.3
71.59349	4.5
79.05498	17.9
81.07053	28.7
83.08630	4.7
88.47186	2.0
91.05481	10.0
93.07069	18.6
95.04987	3.9
95.08607	9.0
97.02885	2.5
97.06550	4.0
99.08104	2.8
105.07047	8.9
107.08598	12.4
109.10161	4.7
115.37523	2.2
117.07008	5.9
119.08571	3.7
121.06523	3.3
121.10151	6.0
127.97695	2.0
131.08580	7.3
133.10167	5.6
135.08298	2.2
135.11729	3.5
145.10167	3.9
149.13237	12.3
157.10310	2.5
159.11710	5.1
199.37665	2.2
373.62219	2.3
389.26984	3.3
445.29266	100.0
446.29492	5.2
463.30441	73.2
464.30627	2.7
482.05151	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	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.7
55.01856	8.8
55.05510	40.5
57.03446	12.0
57.07067	8.1
62.88659	2.2
65.03934	6.0
67.05502	93.0
69.03419	6.1
69.07065	39.4
69.55761	16.6
70.60370	2.3
71.04980	10.1
79.05492	78.6
81.03398	9.4
81.07055	100.0
83.04977	11.9
83.08609	23.5
85.06508	6.6
86.35417	2.6
91.05481	81.6
93.07041	88.7
95.04969	18.0
95.08603	53.3
97.02911	5.2
97.06540	12.6
97.10139	5.1
98.20840	4.7
99.08062	5.0
103.05437	5.8
105.07029	67.3
106.39677	2.6
107.04939	11.0
107.08577	38.5
109.06497	7.6
109.10151	16.7
111.08081	7.6
113.06015	2.2
115.05457	3.4
117.07021	39.1
118.97367	2.7
119.08584	43.8
121.06492	10.0
121.10146	28.4
121.56290	2.4
123.08039	5.3
123.11692	5.4
125.09601	3.8
127.54977	2.3
128.06258	3.1
128.81978	2.4
129.07016	20.9
131.08574	59.1
133.06448	6.9
133.10130	30.5
135.08046	6.6
135.11667	15.3
137.09605	6.3
141.06958	8.6
142.07832	5.6
143.08553	20.0
145.06491	4.5
145.10135	29.5
147.08034	6.7
147.11682	9.0
149.09630	9.2
149.13252	22.8
155.08557	11.2
157.10115	12.5
159.08026	4.1
159.11668	20.4
161.09550	4.1
161.13292	4.8
167.08499	2.5
169.10095	8.1
171.08101	4.2
171.11679	8.8
173.13271	8.5
175.14857	4.1
177.12764	6.0
181.10052	6.6
183.11664	5.5
185.09663	2.6
185.13277	5.2
187.11179	2.6
187.14763	6.7
187.21834	2.4
195.06482	2.4
195.11794	4.9
195.13803	8.7
197.13239	8.8
199.11160	3.2
199.14760	5.9
201.12834	2.5
201.16405	2.9
202.72911	2.3
203.14372	2.7
209.13222	5.9
211.14761	5.9
213.12578	2.5
213.16455	3.4
215.14215	3.3
221.15341	2.9
223.14809	5.1
227.14459	3.4
229.15977	3.3
233.15291	4.0
241.15791	3.4
247.16707	3.4
253.98051	2.4
255.17368	3.3
261.18674	3.0
273.18472	3.7
325.25220	7.3
335.23596	5.4
337.27271	4.1
343.26260	18.4
353.24768	32.3
371.25778	54.4
389.26898	40.8
445.29425	60.3
463.30487	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01874	4.4
55.05506	29.8
57.03436	10.2
57.07087	2.7
65.03941	4.6
67.05502	82.0
69.07064	39.1
69.28271	4.2
69.28677	21.1
71.04982	5.3
72.67830	2.3
79.05133	1.7
79.05489	70.4
81.07055	83.7
83.04968	5.4
83.08614	15.9
85.06551	6.3
87.75195	2.2
91.05477	100.0
93.07041	67.6
93.26489	2.1
94.42070	2.3
95.04971	15.9
95.08604	50.4
97.06537	8.5
97.10164	7.1
98.21516	4.6
103.05447	3.5
105.07029	89.0
107.04942	9.7
107.08598	32.3
109.06532	9.7
109.10149	14.0
111.08073	5.2
115.05458	6.7
116.06250	2.9
117.06217	3.7
117.07021	45.1
119.08572	53.6
121.06487	13.9
121.10138	27.1
123.08059	4.7
125.09524	2.1
128.06244	5.9
129.07019	30.5
131.08563	62.2
133.06508	7.5
133.10118	30.5
135.08044	10.2
135.11703	11.4
137.09642	5.5
141.06989	10.4
142.07758	3.9
143.08560	25.3
144.09363	2.5
145.06520	5.1
145.10104	40.5
147.08069	8.4
147.11707	8.0
149.09631	7.1
149.13258	8.3
155.08589	14.9
157.06471	2.3
157.10103	15.1
159.08023	4.2
159.11693	18.2
161.09630	6.4
161.13284	4.4
167.08517	6.1
169.10118	15.3
171.11673	13.0
173.09566	3.6
173.13252	5.2
175.11232	4.1
177.12715	4.3
181.05106	2.6
181.10110	10.7
183.11682	9.1
185.09712	2.7
185.13338	10.4
187.11198	5.9
187.14807	7.3
195.06693	2.2
195.11688	6.5
195.13744	2.6
197.13283	10.8
199.14790	4.9
201.12790	4.8
201.16405	3.2
209.13243	6.4
211.14862	9.2
213.12726	5.2
213.16444	3.0
215.14296	2.1
217.16011	3.8
223.09677	3.0
223.14842	4.3
225.16362	2.5
227.14325	2.8
233.15393	4.9
235.14929	2.6
237.11224	3.0
237.16438	3.9
241.15860	3.6
247.16946	7.0
255.17572	2.9
259.16974	5.1
261.18701	3.5
273.18484	2.9
325.21814	2.5
325.25101	10.8
330.25272	2.1
333.62979	2.3
335.23581	10.2
343.26248	20.1
353.24747	47.9
354.25143	2.4
371.25784	53.8
372.26236	2.7
376.05087	2.4
389.26871	54.3
399.28775	2.5
427.28430	6.1
445.29382	62.2
446.29816	3.9
463.30109	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01858	1.9
55.05510	19.2
57.03439	5.6
57.07077	1.4
65.03935	3.5
67.05501	81.6
69.06686	1.6
69.07062	26.8
70.19495	5.5
71.04976	6.6
77.03921	1.5
79.05490	54.1
81.03408	5.5
81.07053	100.0
83.04982	8.6
83.08617	18.3
85.06534	5.4
88.61649	1.1
91.05474	32.7
93.07037	71.1
95.04982	11.3
95.08605	25.6
95.09068	0.9
97.06526	12.5
97.10179	3.1
99.08085	2.5
105.04532	1.5
105.07017	14.5
107.04948	2.0
107.08589	38.6
109.06525	4.9
109.10126	7.0
111.08054	6.6
117.06999	12.1
119.08589	4.8
121.06480	2.9
121.10122	20.6
123.08025	1.5
123.11680	2.8
125.09589	1.7
129.06999	3.4
131.08572	13.6
133.10129	17.7
135.08052	2.2
135.11693	11.5
137.09526	1.1
139.11165	2.7
143.08572	1.6
145.10085	2.8
147.11748	2.6
149.13246	40.7
151.11205	3.7
155.08531	1.3
157.10100	1.7
159.11676	16.6
163.11183	2.2
165.12770	1.3
177.12752	8.6
193.12256	1.4
195.13774	17.1
213.14812	2.0
227.12683	1.4
262.02066	1.2
292.53635	1.2
294.94980	1.3
300.64249	1.2
343.26578	1.6
345.10583	1.1
353.24814	3.0
371.25681	3.0
389.26862	2.5
445.29474	4.5
463.30594	49.3
464.30750	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01865	4.6
55.05258	2.5
55.05508	25.7
56.14428	1.8
57.03430	6.9
57.07078	3.5
65.03940	5.7
67.05506	91.6
69.07065	32.0
69.83806	11.3
71.04992	8.2
79.05494	66.8
81.03429	5.9
81.07057	100.0
83.04993	12.3
83.08625	20.8
85.06556	6.8
91.05482	54.3
93.07043	77.6
95.04965	13.2
95.08605	32.8
97.06547	13.5
97.10222	3.4
98.21433	1.6
99.08086	4.8
105.07035	31.2
107.04964	6.7
107.08598	40.3
109.06517	6.1
109.10182	12.7
111.08108	10.5
111.11617	2.0
115.05500	2.7
115.72205	1.7
117.07005	19.4
119.08589	21.7
121.06509	6.4
121.10153	26.5
123.08099	2.1
123.11734	4.4
125.09679	1.6
129.06964	9.7
131.08574	31.5
133.10138	19.0
135.08067	5.8
135.11700	13.9
139.11177	2.9
141.36792	1.7
142.07784	2.1
143.08577	9.8
145.06564	2.2
145.10117	14.4
147.08069	3.0
147.11681	5.1
149.09576	5.1
149.13251	36.8
151.11200	2.7
154.07658	1.5
155.08588	5.1
157.10182	5.6
159.11731	21.7
161.09604	3.1
161.13278	2.1
167.08531	2.3
169.10182	3.5
171.08032	1.9
171.11685	3.4
173.13235	1.9
177.12772	9.5
181.10265	2.6
183.11771	4.0
185.13327	3.2
187.14738	2.0
195.13788	16.9
197.13277	3.0
207.13855	2.1
211.14996	2.2
214.20044	1.7
219.13976	2.0
223.14902	1.8
247.16951	2.4
251.16446	1.7
255.17447	2.7
261.18619	2.2
273.18527	2.6
291.19489	3.2
315.27524	1.6
325.25302	2.6
335.23758	2.3
343.26318	5.8
353.24829	14.0
366.93018	1.8
371.25845	21.4
389.26917	13.8
389.82355	1.8
445.29449	24.8
463.30530	69.0
471.53366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01868	8.5
55.05270	2.5
55.05514	36.1
55.78340	2.1
57.03439	13.2
62.13071	2.2
65.03943	8.5
67.05505	100.0
69.03436	2.7
69.07067	33.4
69.41007	20.2
71.04995	9.1
76.06918	2.1
79.05064	4.2
79.05495	66.1
81.03431	5.5
81.07056	91.5
82.07381	2.4
83.04994	6.7
83.08627	17.5
85.06545	6.7
91.05479	90.2
92.05822	2.5
93.07044	83.1
95.04975	17.1
95.08608	53.3
95.09230	2.7
97.06532	11.9
97.10171	10.1
99.08093	5.4
103.05492	4.8
105.07029	88.1
107.04925	12.1
107.08594	38.9
109.06522	6.5
109.10146	19.7
109.10787	3.1
111.08061	5.5
115.05466	5.5
116.45735	2.5
117.07015	36.7
119.08587	52.4
121.06518	10.2
121.10127	27.5
123.08070	5.9
123.11635	3.7
125.09648	4.4
128.06209	6.5
129.06999	26.2
130.07837	3.0
130.91183	2.4
131.08569	75.0
133.06497	9.4
133.10123	35.9
135.08064	7.4
135.11697	13.7
137.09567	2.2
141.06999	10.8
142.07790	3.9
143.08566	26.8
145.06474	6.1
145.10112	36.5
147.08037	9.5
147.11694	9.6
149.09625	5.5
149.13281	14.2
151.11145	3.0
155.08572	11.0
157.10100	20.6
159.08131	6.7
159.11722	22.9
161.09602	4.8
161.13269	8.3
163.11235	3.7
167.08575	5.4
169.10107	16.0
171.11775	11.9
173.09573	2.4
173.13271	7.1
177.12691	3.7
180.69904	2.2
181.10132	8.4
183.11630	13.3
185.09615	3.4
185.13264	8.4
187.11230	3.5
187.14847	6.0
189.12657	2.7
195.11673	7.6
195.13730	3.6
197.13283	9.7
199.11252	3.1
199.14868	5.1
201.12766	4.7
209.13300	7.1
211.14832	6.4
213.12697	2.6
213.16455	3.3
215.14272	2.6
219.13791	3.6
223.14923	4.9
225.16467	3.7
229.16002	2.3
233.15398	3.9
235.16962	2.7
241.15961	4.1
243.17563	2.5
245.15479	2.4
247.16910	4.1
255.17502	3.3
259.16971	4.8
261.18524	7.6
273.18439	4.6
307.24557	3.1
325.25357	12.6
335.23749	12.6
343.26367	17.6
351.25388	3.2
353.24753	42.5
371.25787	50.6
389.26840	50.1
405.37198	2.2
427.28629	4.0
445.29550	57.7
463.30679	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.01843	4.9
55.05516	37.0
56.96558	6.7
57.03431	9.2
57.07092	5.1
65.03915	4.7
66.00292	4.2
67.05506	65.3
67.77759	4.0
69.03436	4.8
69.07082	26.8
71.04447	7.0
71.04787	7.8
79.05495	51.2
81.03416	8.1
81.07056	72.0
82.07426	4.7
83.05025	4.3
83.08614	13.8
91.05480	67.0
93.07034	57.5
95.04984	10.3
95.08602	48.7
97.10153	9.6
103.05504	5.3
105.07026	56.3
107.04937	5.3
107.08585	34.7
109.06544	8.7
109.10180	14.6
111.04250	5.2
115.05460	4.8
117.07039	31.4
119.08588	34.9
121.06490	7.7
121.10121	21.8
123.08021	5.0
128.06230	6.0
129.06992	17.2
131.08575	48.7
133.10150	26.2
135.08075	4.8
135.11694	11.8
141.06987	9.2
143.08556	22.5
145.06502	4.6
145.10098	32.1
147.08076	4.7
147.11717	5.6
149.09604	6.2
149.13261	5.2
155.08546	11.5
157.10123	10.6
159.11717	16.7
161.13330	4.6
163.11159	4.8
165.05556	5.1
165.09100	6.6
169.10155	8.2
171.11655	7.7
173.13240	6.0
181.10114	5.1
183.11786	8.4
185.13306	5.7
186.96764	4.8
195.11687	4.2
197.13211	11.7
199.14862	6.9
207.11476	5.0
209.13313	6.8
255.17706	5.8
306.80157	4.5
335.23764	9.0
343.26260	13.4
349.59332	4.6
353.24628	27.6
371.25797	40.9
389.26913	32.9
445.29480	44.2
463.30475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.33170	2.0
53.03936	3.0
55.05516	20.6
55.47501	2.3
55.77227	2.1
57.03423	8.4
57.07063	3.4
65.03928	3.9
66.67586	2.5
67.05170	3.8
67.05507	55.1
69.07072	21.2
70.12189	10.3
71.04974	5.8
71.18873	2.3
79.05060	3.1
79.05494	38.2
81.07059	52.8
83.05013	3.1
83.08633	10.9
84.72678	2.3
85.02905	3.5
85.06531	4.0
88.11935	2.3
91.05486	53.0
93.07045	36.5
95.04957	8.2
95.08614	28.1
97.06498	6.4
97.10173	5.0
98.02159	2.2
98.20789	3.0
103.05473	2.5
104.11941	2.1
105.07029	49.9
107.04926	4.9
107.08598	23.4
109.06517	8.9
109.10160	11.4
111.04240	2.7
111.08064	3.0
115.05447	3.2
117.07010	23.2
119.08591	26.5
121.06477	7.5
121.10134	16.1
123.08070	3.1
123.11676	4.3
125.09625	2.9
127.03722	2.4
128.06244	2.6
129.06985	12.2
131.08580	37.6
133.10124	16.6
135.08041	4.7
135.11671	5.3
137.09634	4.4
141.06966	5.0
143.08556	15.7
145.06499	3.0
145.10120	19.9
147.08034	6.1
147.11687	5.2
149.09610	3.7
149.13234	5.5
155.08600	12.4
157.10139	9.9
159.11743	10.5
161.09648	2.2
163.11095	3.1
163.28053	2.4
163.71201	2.2
167.08606	3.2
169.10173	7.8
171.11716	6.8
173.13255	4.7
183.11684	3.7
185.13246	5.1
186.96829	7.1
187.11209	2.8
187.23042	2.3
191.14189	2.6
195.11740	3.6
197.13287	4.5
199.14868	2.8
204.97818	9.2
209.13258	3.4
211.14854	4.2
217.15903	2.4
233.15526	2.5
234.43318	2.1
261.18527	4.3
323.60873	2.7
325.25159	6.4
335.23651	4.2
343.26306	9.8
353.24695	21.9
371.25879	27.7
389.27008	28.0
427.28516	4.3
445.29529	45.3
463.30338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2326
Annotation	Aceroside VII
Peak:m/z	Relative Intensity
51.02369	0.5
51.60378	0.4
53.03941	1.8
53.04176	0.4
55.01867	2.5
55.05509	2.0
57.03430	1.4
58.52730	0.4
61.02917	1.9
65.03942	0.5
67.05500	8.0
69.03428	5.8
69.07068	3.4
71.04987	1.0
71.65257	0.4
72.01803	0.4
73.02904	0.7
77.03909	0.4
79.05486	6.9
81.03399	4.1
81.07058	8.9
83.04990	1.1
83.08627	0.9
85.02902	21.2
85.06537	0.5
87.04443	0.7
91.03945	0.7
91.05477	8.0
93.07040	18.1
95.04965	6.2
95.08588	3.9
97.02885	4.4
97.06523	1.0
97.10165	0.5
99.04424	1.0
103.03922	0.7
103.05468	0.6
105.06307	1.1
105.07027	22.4
107.04951	100.0
107.08585	5.4
108.05312	0.8
109.02874	2.2
109.06508	4.5
109.10149	4.5
111.04440	0.6
115.05430	1.0
116.06242	0.5
117.07022	1.6
119.08589	3.1
121.06506	2.6
121.10139	2.1
123.04463	0.5
123.08082	2.0
123.11712	1.4
125.09642	0.7
127.03904	4.1
128.06232	0.5
129.07004	2.8
131.04900	1.2
131.08566	3.3
132.08902	0.4
133.06488	70.3
133.10126	16.8
134.06845	0.9
135.08054	0.9
135.11682	1.4
137.05986	1.7
137.09621	1.6
143.08568	1.8
145.04988	2.5
145.06491	1.2
145.10107	2.6
147.04388	0.5
147.08051	1.6
147.11656	1.1
149.05975	1.5
149.13347	0.6
151.11179	44.1
152.11490	0.5
157.06471	3.5
157.10251	0.6
159.08083	0.9
159.11691	3.7
161.13191	0.7
163.11217	1.5
169.10162	0.4
171.08075	1.3
171.11667	1.2
173.05931	0.7
173.09576	0.9
173.13225	0.5
175.07552	0.9
175.11198	0.5
177.12741	4.1
179.08600	0.8
183.08092	0.4
189.12743	3.5
191.10779	0.7
193.12209	0.9
197.09700	0.9
199.07529	0.7
199.11124	0.5
209.09581	3.0
219.13840	0.4
220.44147	0.4
221.12074	0.4
223.11197	0.7
225.12793	0.6
227.10641	2.9
243.02573	0.5
265.15872	4.6
283.16928	34.0
284.17133	0.5
301.17975	21.3
445.29694	0.8
463.17365	0.9
463.30719	1.2
468.57010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60830	1.0
59.97779	1.0
69.03430	3.1
69.44246	4.7
69.44677	5.6
73.75393	1.1
84.94716	1.0
85.02911	7.7
87.04456	2.1
87.05582	1.1
89.06032	100.0
89.07137	2.8
97.02893	3.1
107.07076	4.1
109.02875	1.3
127.03965	1.6
130.08694	1.1
133.08603	55.5
135.10045	1.3
154.08836	1.2
177.11240	21.5
195.12332	4.5
221.13960	1.3
239.14896	4.4
278.10403	1.5
283.17517	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3624
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
55.05511	13.3
57.07065	4.7
57.45877	2.0
67.05494	11.3
67.46129	1.8
69.07069	23.6
69.30424	7.0
69.30847	14.7
71.08618	2.1
79.05483	7.0
81.07056	27.0
83.04964	2.3
83.08620	12.8
91.05468	6.1
93.07032	6.1
93.08706	2.1
95.08600	20.3
97.10150	7.5
105.07010	4.9
107.08585	8.5
109.06480	4.4
109.10155	13.9
111.08086	3.0
111.11684	4.0
119.08566	5.9
121.06548	2.1
121.10152	4.0
123.11713	6.8
131.08540	2.4
133.10101	3.6
135.08052	3.6
137.05965	5.2
137.09602	10.7
137.13313	2.7
139.07533	9.5
149.09621	5.9
149.13219	4.4
151.07503	3.6
151.98367	1.9
159.11655	2.8
163.07538	3.7
163.11223	3.2
165.09109	100.0
167.07077	5.8
169.10027	2.6
173.09618	2.2
174.10454	2.6
175.11119	2.9
177.09116	7.8
179.10643	2.2
187.11082	3.5
189.09088	2.5
189.12727	4.5
191.10704	2.4
193.08600	2.2
202.09798	2.9
203.10686	8.9
205.12262	8.4
217.12242	3.7
247.25800	2.0
425.34311	4.3
443.35379	11.1
461.36267	4.3
462.37128	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27009	0.3
53.03933	0.4
55.05515	2.8
57.07067	1.1
59.82784	0.3
65.92065	0.3
67.05502	6.5
69.07067	2.7
69.53093	2.4
71.08633	0.7
75.25211	0.3
79.05489	2.1
81.03407	0.6
81.07053	8.8
83.04971	0.9
83.08614	1.8
85.10216	0.3
91.05479	2.0
93.07047	2.2
95.04947	0.9
95.08603	5.0
97.10171	1.1
105.07020	1.2
107.04950	0.5
107.08559	1.9
109.06498	0.5
109.09386	0.4
109.10148	6.2
111.11649	0.5
115.00034	0.3
117.07005	0.5
117.99822	0.3
119.08588	3.4
120.20406	0.3
121.06477	0.6
121.10125	1.0
122.07275	2.0
123.08071	0.6
123.11691	1.2
129.06995	0.4
131.08536	0.9
133.10168	0.7
134.36072	0.3
135.06743	0.3
135.08055	1.2
135.11693	0.9
136.06570	0.3
137.09615	9.9
137.13232	0.5
145.10132	0.5
149.08546	0.5
149.09616	4.8
149.13258	0.7
151.07475	0.7
151.25235	0.3
153.08995	0.4
161.09541	0.4
163.11177	2.1
165.09106	100.0
166.09489	2.1
168.68344	0.3
173.13257	0.3
175.11172	1.2
176.08307	0.4
177.09096	2.7
177.12704	0.6
179.10603	0.6
186.10368	0.5
187.11147	1.0
189.09109	0.5
189.12711	0.7
190.09946	0.5
191.10646	1.9
199.11232	0.7
201.12665	0.4
203.10695	2.3
204.97762	0.4
205.12250	5.1
323.26926	0.3
387.25745	0.4
415.32010	0.4
433.32632	0.5
443.35159	1.2
461.29147	0.8
461.36234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01874	12.3
55.05511	41.0
57.03431	10.6
59.04996	3.2
65.03947	3.3
67.05505	71.4
69.03411	6.7
69.07069	23.7
69.82191	11.8
71.04988	5.7
71.93136	2.3
75.75303	2.1
79.05491	61.1
81.03423	20.4
81.07060	62.5
83.04961	8.9
83.08611	23.3
85.06538	5.4
91.05484	61.9
91.14600	2.1
93.07043	47.4
95.04967	42.0
95.08607	31.8
97.06536	5.6
97.10160	19.7
103.05451	4.5
105.07029	52.5
107.04952	25.4
107.08582	30.8
109.06499	10.9
109.10177	12.3
111.04472	2.2
111.08102	6.9
115.05441	8.2
117.07021	30.8
119.08574	29.4
121.06511	24.6
121.10143	12.6
123.08066	9.9
123.11722	4.2
125.09605	12.5
128.06235	7.7
129.07004	27.3
131.04915	8.7
131.08562	39.2
133.06494	15.8
133.10138	18.1
135.08075	6.9
135.11665	6.0
137.09630	3.5
140.42188	2.3
141.07022	9.2
142.07773	4.6
143.08568	19.6
145.06485	32.7
145.10109	18.9
146.07153	2.3
147.08051	11.0
147.11691	7.8
149.09625	8.8
149.13274	6.5
153.06982	3.3
153.09108	2.9
155.08513	15.8
157.10081	18.3
159.08029	11.5
159.11655	11.7
161.09625	9.2
161.13324	3.5
163.11209	5.2
165.07040	3.2
167.08536	4.7
169.10078	12.4
171.08069	8.9
171.11742	9.3
173.09644	6.5
173.13258	5.3
175.11180	6.6
177.12761	6.6
179.08578	3.1
180.09254	3.3
181.10129	6.8
183.08040	5.4
183.11696	6.9
185.09616	7.3
185.13213	5.7
187.11197	3.4
187.14742	3.7
189.09195	3.4
189.11263	11.6
189.16486	3.1
193.12247	5.7
195.11717	5.4
197.13252	6.3
199.11253	4.4
199.14848	9.3
201.12685	4.2
203.14374	3.2
205.12140	2.6
207.13651	2.9
209.13342	3.2
213.12764	4.1
215.14287	6.4
217.15967	13.0
219.13776	4.6
225.12933	3.1
225.16542	2.4
226.13362	2.5
227.12666	4.2
231.13852	6.7
239.14360	3.7
245.15440	3.9
253.15977	3.4
257.15472	6.9
259.16946	3.6
267.16010	3.2
271.16998	4.3
273.18530	4.4
275.16492	5.0
285.18503	2.9
323.23706	3.2
333.22064	6.0
341.24774	9.8
351.23206	26.2
359.26132	3.0
369.24213	55.0
378.13705	2.4
387.25208	20.1
407.25992	3.1
417.26398	3.6
425.26730	7.8
443.27927	55.8
443.33911	4.0
444.28275	4.2
461.28986	100.0
462.29346	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33118	1.5
53.03955	1.7
55.01877	1.6
55.05515	9.8
55.72898	1.5
57.03431	2.3
57.07067	2.1
67.05502	27.6
69.03432	7.2
69.07052	5.9
70.06598	1.5
71.04984	6.8
71.59186	1.4
71.59616	1.7
79.05499	7.1
81.03407	5.4
81.07056	30.6
83.04981	3.4
83.08637	2.4
84.04525	2.0
85.02900	7.6
85.06537	16.9
89.04042	1.2
91.05492	5.2
93.07049	12.0
95.04957	6.2
95.08604	100.0
97.02877	4.2
97.06521	2.3
97.10174	1.4
99.04455	10.0
99.08095	11.3
101.05991	1.9
103.04489	1.2
105.07034	8.2
107.04953	4.6
107.08566	7.1
109.02887	7.1
109.06535	6.5
109.10165	17.5
111.04434	1.5
111.08075	1.7
113.05997	17.3
113.09642	4.1
116.98550	1.4
117.07011	2.3
119.08572	4.5
121.06535	8.0
121.10151	4.1
123.04433	2.6
123.08075	25.1
123.11710	3.2
125.02408	1.3
125.09624	2.4
127.03114	1.5
127.03887	7.6
127.07563	3.5
129.09109	3.1
130.06544	2.1
131.07063	2.6
131.08574	3.7
133.06493	1.5
133.10117	4.0
135.08072	5.2
135.11775	2.4
137.05977	48.2
137.09627	5.9
139.04012	2.0
139.07530	2.5
141.09091	38.6
145.08701	1.2
145.10097	3.5
147.08061	1.8
147.11658	1.8
149.02357	1.8
149.06018	2.2
149.09630	4.0
151.07538	53.0
152.06374	1.3
153.05511	1.4
155.10640	2.2
157.08659	2.5
159.08040	3.4
159.10207	1.5
159.11679	2.0
161.09596	2.3
162.06760	1.8
163.03925	1.4
163.07567	17.4
165.09096	11.8
167.07092	1.7
169.08578	9.5
169.09868	1.7
171.08113	1.6
173.08092	1.5
173.09521	1.3
173.13191	1.5
175.07542	4.2
177.09105	44.4
177.16351	2.2
179.07033	3.7
187.09653	31.2
189.09119	5.2
191.10667	17.6
201.09099	2.6
201.11119	1.4
203.10712	1.6
205.12254	3.1
213.05515	2.9
213.18460	1.7
215.10605	2.5
217.12309	2.2
243.13589	1.3
245.15419	2.7
271.16766	1.6
285.18375	1.5
289.17990	4.9
293.21268	1.7
299.09207	3.1
397.27725	1.5
415.28500	2.5
461.28928	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01861	10.3
55.05273	3.1
55.05515	48.1
57.03429	10.4
65.03934	5.7
67.05506	92.1
69.03419	3.3
69.07067	31.2
69.81600	5.2
69.82018	7.7
71.04980	7.1
71.10596	2.1
75.58709	2.0
78.58134	2.3
79.05490	74.6
79.05959	4.1
81.03413	9.9
81.06582	4.1
81.07056	83.1
83.04961	8.6
83.08616	27.8
83.93114	2.7
85.06516	8.1
91.05482	100.0
93.06477	3.6
93.07044	68.8
95.04965	33.3
95.08047	3.9
95.08606	49.6
97.06510	10.8
97.10158	11.0
98.21469	2.7
99.08069	3.5
103.05468	3.5
105.04581	2.5
105.07034	73.7
106.07307	3.2
107.04964	20.5
107.08602	31.3
109.06519	16.5
109.10156	16.9
111.08056	4.9
115.05489	11.9
116.06230	3.2
117.07010	50.3
119.04929	5.0
119.07789	4.2
119.08585	49.1
121.06493	18.3
121.10149	21.3
123.08046	10.5
123.11617	3.0
125.09632	9.9
128.06227	14.5
129.07007	60.3
129.34248	2.4
130.07707	3.1
131.04919	6.8
131.08572	70.8
133.06505	15.3
133.10135	27.2
135.08040	12.8
135.11674	8.5
137.09596	7.5
141.06976	24.1
142.07761	6.4
143.08562	54.3
144.09286	3.1
145.06473	20.4
145.10132	36.9
147.08014	16.8
147.11670	9.4
149.09599	11.5
149.13229	5.4
151.11180	3.2
152.06186	2.5
153.07001	7.6
155.08562	32.2
156.09477	2.6
157.06487	6.3
157.10114	28.2
159.08037	10.6
159.11684	19.1
161.09579	5.6
161.13263	5.1
163.11153	4.1
165.07019	4.6
167.08539	10.8
168.09274	4.0
169.10115	21.9
171.08014	7.1
171.11716	20.1
173.09592	8.1
173.13257	8.4
175.11234	4.6
175.14796	2.4
177.12715	4.1
179.08516	6.2
181.10141	17.4
183.11641	15.8
185.09669	5.7
185.13246	17.0
187.11165	6.2
187.14908	4.1
189.11208	4.4
189.12746	3.3
193.10155	6.0
193.12111	3.2
195.11658	14.3
197.09575	3.0
197.13217	13.5
199.11136	5.6
199.14804	10.6
201.12704	5.5
207.11668	6.7
209.13254	11.0
211.11171	5.8
211.14774	3.4
213.12741	8.5
213.16368	2.5
215.14282	7.4
217.15852	8.7
221.13240	8.7
223.14807	9.3
225.12753	8.4
225.16324	4.2
227.14397	5.1
229.16069	3.1
231.13905	3.2
231.17667	2.7
233.15509	2.9
235.14806	6.1
239.14297	5.7
243.13832	4.7
245.15329	3.8
249.16533	3.8
253.15826	8.0
257.15430	6.5
259.02521	2.5
259.17072	5.8
271.16913	11.1
285.18710	2.9
287.11844	3.2
289.48062	2.2
323.23703	9.8
324.36218	2.5
327.23260	2.9
333.22055	14.5
339.22653	3.1
341.24765	16.9
351.23172	57.5
359.25681	3.8
369.24237	86.1
370.53470	2.4
379.26157	2.8
387.25293	40.8
389.24323	3.1
415.28653	2.7
425.26547	7.4
443.27957	71.4
444.28271	5.5
461.28992	68.3
462.29205	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.0
55.01859	11.8
55.05512	48.9
57.03430	11.9
57.53833	2.8
65.03932	6.4
66.18474	2.9
67.05505	86.9
69.07069	28.1
69.91467	11.2
69.91890	7.9
71.04978	5.4
78.07568	3.3
79.05493	77.1
81.03410	10.3
81.07058	73.8
83.04964	10.5
83.08630	26.2
83.65437	3.0
84.42286	2.9
87.88223	2.9
91.05481	100.0
92.05798	3.2
93.07038	63.6
95.04972	21.1
95.08602	47.9
97.06527	9.3
97.10163	13.7
103.05451	7.3
105.07030	71.2
107.04919	15.5
107.08575	32.1
109.06516	11.2
109.10170	21.0
111.08077	6.5
115.05465	12.9
117.07014	60.6
119.04887	6.5
119.08582	42.8
121.06507	16.9
121.10154	21.9
123.08057	8.9
123.11730	3.6
125.09631	8.1
128.06215	16.6
129.07008	69.0
131.04956	5.8
131.08569	72.8
133.06487	15.3
133.10141	24.1
135.08044	8.8
135.11700	10.4
137.09618	6.0
141.07022	27.3
142.07770	7.8
143.08559	50.2
145.06480	19.2
145.10106	35.1
147.08038	9.6
147.11678	9.6
149.09639	9.3
149.13239	4.5
151.11194	3.7
153.07034	5.0
155.08559	40.2
156.09424	3.4
157.06538	5.2
157.10126	21.5
159.08066	9.0
159.11710	20.6
161.09596	5.6
161.13255	6.1
163.11198	4.9
165.06995	7.7
167.08604	18.0
168.09256	4.9
169.10138	27.9
170.10797	4.2
171.08109	7.3
171.11688	19.4
173.09552	7.7
173.13286	5.3
175.11209	10.0
177.12744	6.2
179.08559	5.4
181.10088	16.5
183.11702	17.1
185.09677	4.4
185.13248	11.7
187.11150	5.7
187.14862	6.8
189.11172	4.7
193.10155	8.7
195.11626	20.2
197.09573	4.2
197.13214	15.4
199.14835	6.3
203.14334	3.6
207.11806	7.7
209.13254	11.0
211.14848	8.4
213.12730	5.1
213.16321	4.4
215.14241	10.4
221.13245	13.4
223.14844	12.6
225.12852	6.8
225.16435	5.0
229.15990	4.4
235.14853	7.9
237.16493	5.0
239.14349	9.5
241.15948	5.1
243.13850	3.5
253.15857	4.1
257.15332	9.4
271.16953	7.9
285.18475	3.2
305.22678	4.2
315.21017	3.4
323.23691	10.7
333.21985	12.2
334.22430	3.5
341.24835	12.1
351.23102	48.7
369.24237	56.8
387.25250	30.5
406.06036	3.9
415.28583	4.1
425.26968	7.3
443.21954	4.3
443.27963	63.9
444.28226	3.3
461.28983	63.1
462.29004	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	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.1
55.01869	9.3
57.03440	6.3
59.09738	0.8
60.04529	1.1
61.02932	7.4
68.99784	2.7
69.03429	31.5
69.50891	8.2
71.04991	3.7
73.02918	7.1
78.78062	0.8
79.05517	1.5
79.68760	0.9
81.03417	30.5
85.02904	80.6
87.00826	34.5
87.04476	1.7
91.03966	2.4
91.05499	1.8
95.08603	1.1
97.02280	2.1
97.02893	31.9
98.06026	1.4
98.20750	1.9
99.04449	13.2
101.35971	0.8
103.05465	7.5
105.01864	27.7
105.07034	3.6
107.04955	10.5
108.04482	8.6
109.02122	1.6
109.02875	33.4
109.34409	0.9
111.04448	1.0
115.03928	1.4
115.05441	2.0
115.74108	0.9
117.01852	5.4
120.05737	1.1
121.06551	1.3
126.05499	5.8
127.03915	54.6
129.01843	3.9
131.04944	1.4
133.06516	1.0
135.08020	5.7
139.03883	4.4
145.04955	28.2
145.41939	0.9
147.02904	2.5
154.04999	1.9
154.06247	35.3
159.02895	20.0
163.07538	27.7
167.07060	1.8
169.26628	0.8
177.03934	1.0
180.07816	1.3
189.04019	1.2
195.01108	0.9
195.10167	100.0
196.10521	1.9
199.15752	1.0
213.03969	2.4
221.08087	1.3
230.06607	4.1
231.04930	9.3
248.07643	6.0
411.66751	0.8
451.13470	1.0
460.27124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31929	1.0
53.03948	7.7
55.01653	1.0
55.01875	9.3
55.05491	1.5
57.03439	7.1
60.04518	1.6
61.02933	5.0
65.98581	0.9
68.99782	3.0
69.03428	25.2
69.43968	8.9
71.04990	5.4
73.02918	6.8
79.05485	3.2
81.03418	27.0
81.07032	1.4
85.02907	71.9
87.00309	1.6
87.00834	28.3
87.04465	1.7
91.03951	3.1
91.05470	3.6
95.04961	1.9
95.08621	1.3
97.02893	26.2
99.04458	11.0
103.03935	2.2
103.05462	2.0
105.01190	1.4
105.01876	24.7
105.07037	4.8
107.04955	35.4
107.08568	1.0
108.04490	9.0
109.02885	29.0
115.05428	1.9
117.01848	3.6
117.06998	1.6
121.06480	1.2
123.04436	1.0
125.05942	1.1
126.05493	4.0
127.03916	51.3
129.01843	4.6
129.07037	1.6
131.08517	1.2
133.06490	1.1
134.85663	1.0
135.08049	13.4
145.04959	24.1
145.07574	1.1
147.02852	2.7
159.02885	16.2
159.07965	1.1
163.07539	35.4
167.07051	14.5
175.07576	1.2
177.04037	1.1
180.07803	3.3
187.07570	1.9
189.03880	2.4
193.08656	1.5
195.10173	100.0
196.10449	1.6
203.07013	1.7
205.08594	2.3
207.10202	3.4
212.05493	1.0
213.03951	1.7
217.08771	1.0
219.10138	2.1
230.06590	3.3
231.05028	9.8
248.07549	5.6
253.08598	1.7
285.11258	1.3
303.12503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.0
55.05502	4.9
65.03933	1.1
67.05505	5.2
69.07083	5.7
69.80878	5.3
74.00649	2.9
79.05499	11.7
81.03420	6.0
81.07057	4.8
82.07378	1.2
85.65356	1.0
87.04450	1.4
88.03979	2.9
90.46892	1.0
91.05471	4.6
92.05066	1.0
93.07053	2.7
95.04964	5.0
95.08611	1.9
97.10201	1.6
98.20811	2.1
99.02692	2.7
103.05469	2.6
105.07033	39.7
106.07352	1.5
107.04956	42.2
107.08604	1.9
108.71074	1.0
111.02675	3.3
117.07133	1.2
119.08585	3.1
120.01154	2.9
120.05732	3.7
121.06499	3.5
123.02734	1.2
123.04440	2.1
127.02135	4.9
129.06992	1.9
131.04950	2.4
131.08548	3.4
133.06494	100.0
134.06850	2.4
135.08057	1.5
137.06018	3.1
139.02098	1.6
139.03847	5.5
141.00052	3.6
141.03746	1.5
145.06444	2.2
149.09532	1.1
151.03915	2.6
151.07521	2.4
152.01717	1.1
153.00005	1.1
153.05469	23.2
155.01607	12.8
157.10014	1.1
158.11763	1.4
159.08066	1.9
161.05971	1.4
165.05443	6.9
165.09203	1.2
166.06235	8.5
167.01654	7.8
167.08655	1.1
169.03197	7.9
177.05495	5.0
177.09113	2.7
178.03238	7.5
178.06151	1.7
181.03197	2.9
183.01122	55.3
185.02693	10.0
187.07568	1.8
189.09229	1.9
191.07042	3.4
191.10677	1.9
193.12215	1.6
194.02640	5.9
194.12595	2.3
195.01117	83.1
196.01372	1.2
197.02695	15.8
199.04153	1.5
205.08623	4.7
206.02716	22.8
207.10242	2.3
208.04312	3.6
209.02669	10.1
219.10179	15.2
222.12515	15.4
223.07802	1.8
226.03369	1.1
226.05333	7.4
233.06342	1.7
239.02502	2.7
239.07356	11.0
240.03221	6.2
251.07387	37.8
252.03275	24.1
252.07657	1.8
253.09000	2.5
255.03143	6.8
262.08939	2.4
265.09045	2.4
272.05872	66.0
273.06149	2.1
283.09619	4.6
284.05869	7.4
290.08432	2.2
296.09433	1.5
303.06866	3.9
307.52679	1.2
308.09573	2.3
311.09601	2.6
315.06833	20.7
315.10251	2.0
316.07162	1.2
328.12207	10.2
339.16058	1.7
340.12146	8.2
340.16666	10.0
350.21973	1.8
359.08261	2.0
368.22958	5.2
371.13174	18.1
372.08994	4.8
385.23520	1.4
386.23972	4.5
392.11664	3.1
404.11667	5.0
404.25415	1.2
460.27765	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05504	7.2
56.05842	1.9
65.03942	1.8
67.05503	5.5
69.03437	1.6
69.07064	8.3
69.91038	4.2
69.91444	5.0
72.08176	2.4
74.00650	2.5
79.05501	11.3
81.03419	4.0
81.07046	8.8
83.08603	2.0
86.61722	1.5
91.05475	6.0
93.07049	5.4
95.04988	8.4
95.08606	6.0
97.02882	2.1
97.06566	2.1
97.10162	4.6
98.10542	2.6
98.20826	3.5
99.02682	2.3
103.05505	3.2
105.07035	43.0
107.04957	50.5
107.08585	3.1
108.08990	1.7
109.06551	2.8
109.10101	3.8
110.20035	1.4
111.02678	3.1
115.05454	3.1
117.06993	1.9
119.08583	3.7
120.01206	2.4
120.05727	5.7
120.08111	1.6
121.06473	4.0
123.04463	2.7
123.07997	2.2
123.11763	1.9
125.09685	2.5
127.02140	5.1
129.07066	2.0
131.08554	4.2
133.06493	100.0
134.06757	2.9
135.08058	2.8
135.11732	1.8
137.09651	1.9
139.02132	2.5
139.03947	8.7
141.00067	3.1
145.06447	2.3
147.04436	2.2
149.05928	2.5
149.09601	3.5
150.03723	2.2
151.03926	3.5
151.07541	13.0
152.07907	4.0
153.05453	28.8
155.01607	10.9
161.09622	2.4
163.02090	1.8
163.03918	1.8
163.11235	1.6
165.05493	7.5
165.09143	3.5
166.06203	10.3
167.01625	9.3
167.07050	1.5
169.03203	6.7
175.07573	2.2
177.05516	7.6
177.09109	4.2
178.03246	7.8
181.03252	3.6
183.01115	52.1
183.02650	3.2
185.02754	10.7
191.01993	1.7
191.07014	2.2
191.10699	3.8
194.02753	5.9
194.99307	3.9
195.01117	81.8
197.02695	20.0
197.05954	1.9
201.09047	1.9
205.08633	3.2
206.02710	27.3
208.04218	3.9
209.02708	13.3
219.10190	15.5
221.11848	2.7
222.12534	16.2
225.09554	1.7
226.05350	9.9
227.69226	1.7
234.15730	1.7
239.02481	3.2
239.07291	12.6
240.03307	4.9
251.07375	42.1
252.03247	25.2
253.08908	2.8
255.03270	9.0
265.08899	2.9
266.04874	3.1
272.05869	75.4
283.09729	4.5
284.05927	5.9
290.08444	3.8
303.06821	3.2
308.09500	5.2
311.09534	3.0
315.06830	25.6
317.08252	2.2
328.12173	11.5
339.15924	2.0
340.12149	7.1
340.16730	14.6
340.23361	1.7
359.07965	2.0
367.37650	1.8
368.23029	4.4
371.13080	17.9
372.09073	4.3
386.24268	4.3
392.11383	2.6
404.11401	7.9
460.17798	2.6
460.27710	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	460.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01872	1.0
55.05518	0.7
57.03434	5.7
57.76283	0.4
59.05013	1.1
61.02921	1.8
62.93058	0.5
67.05505	0.8
69.03429	18.1
69.07094	0.5
70.06588	1.0
70.25830	0.8
70.26240	1.1
70.69666	0.5
71.04989	0.7
72.08150	0.8
73.02926	1.3
74.06052	0.5
75.04473	1.1
79.05502	0.9
81.03397	2.3
81.07040	1.2
83.04974	1.2
84.04502	1.6
84.08157	0.8
84.66082	0.5
85.02905	19.2
86.09702	2.0
87.04469	10.0
89.06036	10.0
90.06363	1.6
91.03941	1.0
91.05472	0.6
95.04979	0.5
97.02891	13.6
97.06540	0.5
99.04452	1.1
104.05051	0.5
107.04960	0.8
107.08586	0.6
108.00246	0.5
109.02879	2.0
109.10181	0.7
110.06039	0.6
111.08091	0.6
115.03929	9.0
121.10220	0.6
122.05997	0.8
123.08059	0.5
124.07610	0.9
127.03923	3.4
131.04991	0.4
133.04967	7.2
133.08603	5.0
134.08958	0.9
136.07556	0.8
137.05974	0.7
138.09145	0.8
143.00722	1.8
145.04979	2.8
148.02155	64.4
149.02563	0.6
151.03888	0.9
160.50284	0.5
166.03223	100.0
167.03572	0.9
168.07834	0.6
177.05450	1.0
177.11211	1.3
179.03398	0.5
184.05945	0.6
189.04790	1.2
194.05803	1.4
212.06728	0.6
212.10504	0.9
212.12816	2.4
216.09868	0.5
240.03358	0.5
259.11151	0.8
298.07605	1.4
328.08505	11.5
374.51724	0.4
416.19104	0.6
450.11224	0.5
460.18271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
53.22206	1.2
55.01871	11.9
55.05510	51.7
57.03424	4.8
57.07064	1.3
65.03927	1.9
67.05499	38.5
68.12923	1.3
69.03426	4.5
69.07063	12.3
71.04977	2.0
71.58913	2.2
79.05491	40.4
81.03410	3.7
81.07053	32.2
83.04955	5.2
83.08618	25.4
83.11143	1.3
85.06543	1.9
91.05479	41.8
93.07035	20.6
95.04966	7.4
95.08607	10.6
97.06521	3.1
97.10166	37.9
102.70434	1.3
103.05449	17.1
105.03423	1.7
105.06325	1.0
105.07021	28.6
107.04955	5.1
107.08595	23.1
109.06527	4.0
109.10146	10.2
111.08093	1.6
115.05445	10.8
116.06285	1.6
117.07015	42.8
119.04913	1.7
119.08575	13.6
121.06504	3.0
121.10147	5.2
123.08032	3.5
123.11710	1.4
125.09629	31.8
128.06219	4.3
129.07014	22.3
131.04964	6.7
131.08559	33.9
133.06502	6.9
133.10117	5.6
135.08060	8.4
135.11708	1.4
137.09642	1.9
141.06967	7.2
143.04869	1.5
143.08562	14.8
143.10669	1.6
145.06471	14.9
145.10138	12.5
147.08052	5.2
147.11714	2.6
149.09644	4.4
153.07036	2.0
153.09117	5.2
154.07834	1.9
155.08563	12.5
156.09358	1.8
157.06531	5.8
157.10127	6.4
159.08093	5.2
159.11665	2.0
161.13261	1.8
167.08574	4.6
169.10176	7.8
171.08038	3.7
171.10315	1.8
171.11674	6.4
173.13243	3.1
179.08542	2.0
181.10159	3.5
185.09619	3.1
185.13205	3.9
187.11127	2.2
187.14803	14.0
189.11180	22.5
193.10115	2.7
193.12128	2.2
195.11725	4.5
197.13274	14.1
199.11162	2.0
205.10158	1.4
207.11818	1.4
209.13316	1.9
213.12737	4.3
215.14316	63.5
223.11266	2.5
223.14813	1.7
225.12735	1.4
227.12752	25.4
233.15413	5.3
237.12767	3.9
241.12260	3.3
241.15703	1.9
245.13852	2.2
255.13814	2.4
259.13361	2.3
269.15460	2.0
271.16971	5.0
273.14978	2.1
339.23120	4.7
349.21652	12.3
357.23975	1.5
367.22668	31.1
385.23715	19.8
403.24747	8.0
423.25189	2.5
441.26337	35.5
459.27246	100.0
460.27499	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.8
55.01881	14.3
55.05512	68.0
57.03443	10.3
59.04988	2.1
65.03931	4.4
67.05505	65.3
69.03431	8.4
69.07064	21.3
71.04983	2.8
71.59067	2.9
79.05491	68.5
81.03421	8.7
81.07054	41.9
83.04980	7.1
83.08621	35.5
91.05482	55.8
93.07047	30.2
95.04979	12.4
95.08617	13.2
97.06508	5.1
97.10176	51.2
101.09661	2.2
103.05453	24.2
105.03387	3.9
105.07033	39.7
107.04944	11.1
107.08590	27.9
109.06518	7.7
109.10134	17.2
109.40095	2.1
111.08086	3.7
115.05424	17.0
116.06272	3.0
117.07020	63.9
119.04935	3.1
119.08578	19.6
121.06519	7.5
121.10149	7.7
123.08036	4.8
125.09636	48.0
125.10536	3.0
128.06227	9.1
129.07001	36.9
131.04942	6.6
131.08562	51.3
133.06506	11.7
133.10095	10.9
135.08026	11.9
137.09616	3.5
141.06987	17.9
142.07733	3.5
143.08549	17.7
145.06474	23.1
145.10132	16.2
147.08054	5.7
147.11678	2.8
149.09656	6.0
153.07013	4.5
153.09106	6.1
155.08557	21.0
157.06488	7.6
157.10130	8.2
159.08087	8.4
159.11734	6.0
161.09552	3.0
167.08572	7.7
169.10138	13.4
171.08124	4.4
171.10307	2.8
171.11696	8.2
173.09637	4.2
173.13303	5.7
175.11185	4.0
179.08577	4.7
181.10136	3.3
183.11639	2.6
185.09612	3.1
185.13260	7.7
187.14792	22.6
189.11206	36.7
193.10208	4.1
193.12198	3.8
195.11717	6.7
197.09723	3.2
197.13281	19.3
199.11259	3.4
209.13184	5.7
213.12772	7.1
215.14314	100.0
221.13289	3.0
223.11253	4.0
225.12886	2.4
227.12708	31.8
231.13887	4.4
233.15428	4.7
235.15015	3.6
237.12657	4.3
239.18440	2.2
241.12216	7.4
241.16066	2.5
245.13814	3.3
259.13263	2.8
269.15302	3.0
271.16922	6.9
273.14960	2.4
305.16559	2.4
321.22150	2.3
339.23242	7.9
344.42615	2.1
349.21616	19.4
367.22675	51.9
385.23721	31.6
403.24750	5.9
441.26367	49.8
459.27429	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01876	11.8
55.05510	44.2
56.84126	1.7
57.03422	5.7
57.07062	1.8
67.05502	46.8
69.03426	5.4
69.07069	11.3
69.32544	8.2
69.32976	10.2
71.04967	3.5
79.05062	3.4
79.05489	49.5
81.03415	22.4
81.07057	37.8
83.04957	8.5
83.08609	20.2
85.06551	3.2
91.05475	35.3
93.07041	26.1
95.04978	16.7
95.08604	22.6
97.06522	5.8
97.10172	27.7
105.03403	1.9
105.07020	25.2
107.04951	27.0
107.08585	21.4
109.06494	9.0
109.10148	13.9
109.75226	1.7
111.08083	5.0
115.05460	4.3
117.07010	17.9
119.08588	15.8
121.06506	17.2
121.10130	10.1
123.04449	1.9
123.08061	6.9
125.09632	23.1
128.06268	3.5
129.07007	17.7
131.04903	10.7
131.08572	17.9
133.06464	14.0
133.10138	7.2
135.08069	8.6
135.11682	2.8
137.05974	2.4
137.09613	4.1
141.06996	7.1
142.07761	2.5
143.08609	10.3
144.05695	3.2
145.06482	42.1
145.10103	9.0
147.04425	4.8
147.08015	12.0
147.11691	12.7
149.05922	2.6
149.09610	4.9
149.13155	2.0
151.07475	3.1
151.11136	2.5
153.09085	7.5
153.12738	2.8
155.08565	7.0
157.06491	6.3
157.10089	9.3
159.08031	7.2
159.11671	3.4
161.05981	5.6
161.09650	5.5
163.11218	3.1
165.12735	2.6
167.08589	3.7
169.06409	2.7
169.10104	3.1
171.08060	7.7
171.11679	5.6
173.09613	4.5
173.13245	3.0
175.11186	7.9
181.06442	2.7
181.10051	2.5
183.08061	3.4
183.11586	2.6
185.09589	5.9
185.13260	4.0
187.11240	3.7
187.14839	2.4
189.11205	11.7
189.12735	3.9
191.10695	2.7
193.12225	16.5
195.01027	2.7
195.08031	3.3
195.11719	5.7
197.09663	5.0
197.13243	7.2
199.11163	6.6
205.12241	3.7
211.11227	3.5
211.13278	4.0
213.12764	5.2
215.14349	6.1
217.12251	3.2
223.11197	3.9
225.12685	3.0
227.14343	5.7
231.13779	4.0
233.15382	7.6
237.12770	7.5
239.14388	2.8
241.14291	2.3
243.13727	2.1
245.15335	2.6
249.14861	2.0
255.13760	8.1
257.15375	2.4
259.13297	3.2
273.14810	33.2
275.16605	3.1
283.16882	3.0
287.16339	3.9
299.16458	3.0
321.22046	2.7
331.20551	2.5
339.23190	10.9
346.34961	1.9
349.21625	24.3
357.24124	7.2
367.22662	63.5
368.22958	2.9
385.23691	60.8
403.24863	15.4
405.24301	5.5
441.26425	7.2
459.27383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.4
55.01890	12.5
55.05508	14.6
55.10601	2.1
57.03429	5.8
57.07071	3.9
61.02920	8.2
64.57181	2.7
67.05511	35.2
68.99773	3.1
69.03429	47.3
69.07071	11.4
71.04999	6.2
71.59087	3.4
73.02916	6.9
79.05496	12.0
79.19888	2.6
81.03419	47.7
81.07058	26.3
83.04997	4.4
83.08630	6.5
84.54369	2.2
85.02905	100.0
85.06543	24.2
86.07124	2.5
87.00842	32.1
88.80144	2.3
91.05466	14.4
93.07037	18.3
95.04974	8.3
95.08614	38.7
96.08063	2.4
97.02878	26.9
97.06548	4.0
97.10176	7.0
97.45538	2.3
97.47941	2.6
99.04448	21.7
105.01869	33.1
105.07034	16.6
107.04942	7.7
107.08602	15.4
109.02887	39.8
109.06521	4.7
109.10159	30.2
111.04475	3.8
111.08078	8.4
117.07011	3.2
118.24203	2.4
119.08607	17.7
121.06593	3.6
121.10152	11.6
123.04424	5.0
123.08090	10.3
123.11715	5.8
125.09669	5.2
127.02967	3.3
127.03924	68.6
127.07581	2.5
127.11193	2.4
129.01820	5.3
129.07062	3.0
133.10101	14.7
135.11707	13.5
137.05957	3.3
137.09601	17.2
137.13229	7.4
143.08614	4.0
145.04968	23.4
145.06348	3.2
145.10136	4.8
147.02914	5.1
147.11690	5.3
149.13237	5.3
151.07542	25.5
151.11137	3.1
157.10141	3.5
159.02864	17.3
159.08061	6.7
161.09676	4.5
163.14848	6.8
165.09108	10.7
167.07083	3.6
175.14861	18.0
177.09158	4.3
177.16444	8.1
179.14360	4.2
181.15912	5.9
189.12799	3.4
191.10704	10.8
193.15871	38.9
195.17513	7.8
205.12206	5.5
211.16927	31.4
223.22205	2.5
231.05022	15.8
249.11554	2.8
401.84985	2.6
403.24533	2.7
404.85184	2.9
432.57477	2.8
436.81912	2.6
459.21826	5.6
459.27472	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	12.0
55.01861	15.9
55.05510	26.2
57.03432	14.7
57.07065	17.9
67.05494	44.8
69.03437	77.6
69.07069	26.0
70.06626	10.0
71.04981	67.2
71.58811	14.7
73.02918	16.2
79.05482	22.9
81.03413	44.1
81.07059	67.8
85.02902	100.0
85.06548	12.4
86.09707	16.7
87.00819	39.9
89.06012	11.4
91.05486	32.0
93.07047	34.3
95.04995	16.8
95.08068	11.0
95.08604	65.2
96.04472	11.2
97.02879	39.0
97.06514	13.7
99.04459	25.4
105.01860	43.2
105.07026	46.4
107.04945	29.5
107.08607	64.9
109.02881	45.0
109.06543	11.2
109.10173	38.7
111.08108	10.2
117.07061	15.2
119.08568	49.4
121.06561	16.6
121.10151	35.0
123.04423	13.3
123.08061	12.9
123.11716	86.9
127.03880	53.4
131.04929	19.2
131.08537	13.6
133.06458	11.5
133.08623	13.3
133.10149	58.0
135.11723	16.8
137.05963	28.2
137.09639	24.4
139.03889	13.8
145.04951	25.5
147.11658	13.6
149.06058	10.9
151.07559	24.9
165.09172	28.5
167.07031	27.0
175.07494	10.5
175.14848	55.3
176.05901	11.2
191.10744	16.6
193.15880	69.1
210.80614	13.1
211.16966	24.1
245.11514	11.3
297.16553	13.0
324.14609	10.2
372.29178	10.4
415.19348	45.2
459.12186	25.3
459.18344	72.8
459.26038	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.6
55.01870	10.4
55.05509	23.4
57.03436	11.7
67.05502	28.4
69.03439	54.6
69.07085	17.9
69.43655	47.5
69.44079	24.7
70.06582	8.1
71.04989	10.1
72.08134	8.8
75.94553	7.9
78.21387	8.4
79.05478	23.4
81.03436	40.2
81.07063	58.6
82.02019	7.9
83.04989	8.7
85.02905	100.0
86.09703	20.0
87.00836	57.8
91.05463	13.5
93.07053	24.9
95.04981	14.2
95.08590	59.4
97.02882	36.5
99.04481	10.2
105.01861	55.6
105.06998	40.2
107.04967	12.8
107.08597	39.2
109.02866	31.8
109.06506	15.6
109.10155	49.2
119.08582	45.8
121.10136	60.5
123.04428	10.4
123.08083	15.5
123.11696	19.3
124.92876	10.4
127.03888	51.1
133.06488	23.8
133.10143	45.7
135.04369	11.7
135.11668	33.4
137.09616	23.5
139.03839	8.5
145.04977	17.1
145.10056	8.6
172.10225	8.3
175.14838	81.6
193.15894	66.2
205.08562	21.2
211.09682	13.5
223.09776	9.8
231.04929	9.2
246.32777	9.5
261.15042	12.2
279.15973	37.9
297.16913	26.4
355.45871	8.6
370.00021	8.0
459.17188	17.9
459.22473	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	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
53.85810	2.4
55.01874	3.7
55.05513	28.3
57.03442	3.0
57.07051	2.6
59.05000	3.5
61.02928	3.2
67.05508	19.0
68.99785	2.7
69.03427	19.4
69.07066	17.0
69.46890	22.2
70.06589	2.6
71.04989	6.7
79.05487	9.3
81.03422	10.9
81.07072	22.4
83.04483	5.0
83.04984	100.0
83.08619	5.1
84.08155	3.8
85.02902	25.0
86.09694	9.0
87.00822	9.8
87.04465	2.5
87.19939	2.4
91.05490	7.1
93.07065	18.9
95.04979	9.9
95.08613	20.7
97.02902	8.1
97.06554	6.6
97.84770	2.9
99.04446	7.5
99.08134	3.2
105.01882	6.9
105.07028	5.4
107.04947	5.5
107.08595	11.3
109.02882	8.9
109.06501	11.7
109.10168	29.1
111.08088	6.9
119.08592	7.3
121.06487	2.4
121.10157	10.7
123.04438	4.5
123.08053	6.3
123.11739	5.1
125.09654	5.0
127.03940	15.8
131.08621	3.0
133.10121	10.1
135.11685	23.1
136.07590	2.8
137.05954	5.3
137.08632	1.7
137.09615	48.4
145.04970	3.7
147.11670	2.5
151.07640	2.6
151.11195	4.1
155.10684	8.9
161.02347	6.8
162.49112	2.5
167.77870	3.0
175.14838	13.9
190.22559	2.6
193.15878	64.2
201.05367	2.8
211.16945	3.0
211.69765	2.5
214.77393	3.2
233.53346	2.4
235.88029	2.3
245.53799	2.2
246.14882	3.9
267.68439	2.6
423.32813	3.0
441.34064	4.6
459.25320	4.4
459.35187	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01857	9.3
55.05502	18.0
57.03429	5.1
60.92398	5.1
61.02919	6.0
67.05490	14.6
69.03410	17.9
69.07063	14.9
70.06585	15.3
70.93858	4.8
71.04990	8.6
71.58430	8.2
72.08145	17.6
79.05480	13.8
81.03410	16.0
81.07047	30.2
83.04969	44.4
85.02901	29.6
86.09703	18.0
87.00812	11.8
87.05742	5.0
91.05474	16.5
93.07070	24.6
95.04959	7.6
95.08596	39.2
97.02914	13.9
99.04440	11.8
99.08074	9.2
105.01874	6.8
105.07027	23.7
107.04938	10.8
107.08640	25.2
109.02886	6.0
109.10148	21.7
119.08592	59.8
123.11720	12.0
124.07542	13.1
125.02420	6.4
127.03903	21.8
133.10130	90.0
135.08006	4.8
135.11676	27.6
137.05991	5.8
137.09566	28.2
145.04953	6.4
147.11621	7.0
149.05914	6.4
155.10745	6.9
166.03273	5.7
175.08688	7.3
175.14824	100.0
181.97952	5.0
193.15863	45.6
201.05513	6.6
248.24120	5.5
261.14444	5.5
297.14352	11.0
314.20349	5.3
373.18359	7.0
415.19363	17.1
439.80661	7.0
459.17975	51.3
459.23517	6.3
470.78351	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	459.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01868	4.2
55.05516	4.5
57.03420	2.6
65.03951	2.7
67.05489	7.9
69.03417	8.6
69.07062	4.5
69.28998	6.7
69.29421	22.6
71.04987	4.3
73.02894	2.9
77.77258	2.1
77.95090	2.3
78.04702	3.1
79.05472	9.6
81.03404	8.7
81.07040	10.4
83.04950	3.2
83.08649	2.2
85.02900	15.3
86.09717	11.9
87.00811	6.0
87.04460	2.5
91.05468	10.0
93.07010	4.9
95.04949	5.0
95.08591	6.6
97.02884	7.7
98.20690	4.5
99.08105	2.4
103.05437	5.1
105.01903	4.1
105.07018	19.3
105.62039	2.2
107.04953	11.2
107.08559	7.3
109.02878	8.5
109.06532	4.2
109.10157	5.9
110.03635	3.1
111.04436	4.6
115.03857	2.7
115.05424	5.1
117.07023	5.5
118.04194	2.5
118.15762	2.3
119.04917	2.5
119.08559	7.2
121.06446	3.1
121.10138	4.0
123.04433	11.0
123.11669	4.0
125.06026	4.7
127.03897	8.6
128.06200	4.3
129.06989	5.9
131.04945	5.9
131.08549	3.0
132.05727	4.6
133.04945	5.4
133.06461	7.6
133.10179	3.4
135.08112	2.3
137.05969	8.0
137.09610	2.9
144.05673	4.1
145.04973	3.0
145.06413	3.8
147.04349	4.6
147.08051	6.9
147.11626	2.7
149.05974	4.9
149.09605	2.8
149.13252	4.1
151.07568	20.0
153.05475	13.4
159.08063	8.8
160.05199	3.7
161.05959	15.1
163.07420	2.5
165.05565	3.3
165.09137	5.8
165.12735	2.9
166.06262	3.3
167.07051	91.7
172.05168	5.0
175.07576	42.3
177.05475	4.2
177.09122	3.0
179.07053	5.0
185.56444	2.6
187.07565	22.5
189.07150	2.6
189.09235	2.6
189.11020	3.1
191.06990	6.5
193.15866	4.2
193.75156	2.8
197.07916	2.9
199.07643	11.8
202.07825	7.8
203.08571	6.6
205.06496	4.0
206.07231	4.1
207.06502	3.1
209.06201	3.5
209.08018	12.4
209.15421	4.5
210.15646	2.9
217.08444	3.0
218.07155	4.1
218.84131	2.5
219.08130	13.5
220.08754	4.6
221.05922	3.9
221.09851	3.0
231.08070	7.9
232.08922	3.8
233.06076	4.1
235.07585	6.1
236.08334	2.7
238.44202	2.8
245.05949	4.7
245.09561	3.6
247.07439	8.0
248.08344	7.6
249.09045	10.4
250.06294	4.6
251.10558	4.3
255.08725	11.4
258.06592	3.7
259.07538	7.7
260.08322	2.6
261.09091	7.3
262.06107	4.6
263.07050	4.1
263.10562	4.5
264.07678	5.2
265.08588	13.5
265.12390	2.3
266.09317	2.8
274.05942	2.4
275.06937	4.5
276.07864	11.4
277.08560	13.3
278.09082	3.5
279.10223	5.0
281.11600	4.0
283.96631	2.5
287.07040	3.5
288.07852	3.4
289.08621	8.1
290.09299	2.9
291.06912	4.3
291.10175	14.4
292.07318	3.3
293.08051	15.0
293.11456	5.7
294.08774	4.3
302.09485	3.9
303.10083	3.3
304.07599	4.7
305.08051	7.4
306.08887	5.0
307.09503	6.0
308.10355	5.9
309.11154	8.5
311.12814	3.0
319.09616	24.3
320.10364	8.6
321.07678	3.9
321.11111	15.8
323.12711	7.5
324.09641	2.4
333.11234	4.7
334.11984	6.8
337.10690	14.3
339.12268	100.0
340.13013	25.7
347.13361	2.5
351.12241	71.4
352.13052	38.5
353.13623	3.3
364.13007	2.8
374.97659	2.4
381.12100	3.1
383.14804	10.9
395.14957	19.6
416.18939	2.5
441.15497	20.3
459.21603	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	459.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
56.96553	0.4
57.03419	0.5
61.53578	0.4
69.03416	1.0
69.61255	1.3
69.61682	1.5
70.06586	1.0
72.08157	0.4
79.92870	0.4
81.03401	0.5
81.07058	0.5
83.49969	0.4
85.02879	1.3
86.09706	0.8
88.58569	0.5
91.05470	0.5
97.02888	0.7
98.20823	0.5
98.97584	0.6
102.05482	0.4
109.05131	1.0
113.14906	0.4
114.81889	0.3
119.08503	0.4
120.06591	0.6
134.04616	10.8
135.02985	0.9
140.02754	0.5
140.22896	0.3
149.99948	0.9
152.05643	2.0
164.07072	0.5
165.02296	10.1
167.02600	1.2
170.21236	0.4
178.03592	0.9
182.04955	82.3
183.03337	0.5
186.61594	0.4
188.39822	0.5
190.75818	0.4
193.00511	0.4
208.02873	100.0
209.03014	1.0
218.98528	0.4
271.70749	0.4
273.79639	0.3
279.60199	0.4
287.03564	0.7
289.08780	0.4
290.42609	0.4
299.88199	0.4
314.09122	1.3
327.08670	48.1
328.08832	1.2
340.07199	0.6
459.18253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01855	3.9
55.86467	0.9
57.03423	2.6
57.22297	0.8
61.32886	0.9
65.03941	2.3
67.05503	2.2
68.99783	2.5
69.03414	1.9
69.32769	6.8
69.33183	1.5
70.06593	1.4
72.08141	3.3
73.02907	0.9
79.05484	2.9
81.03423	6.9
81.07053	2.5
83.01347	1.2
83.04958	1.7
85.02903	12.3
86.09696	2.1
87.55716	0.8
90.11102	0.9
91.05460	5.9
93.03400	10.6
93.07021	1.2
95.04962	4.1
97.02882	2.1
98.21648	1.8
103.03931	2.5
103.05461	1.6
105.03425	2.1
105.07022	2.6
107.01294	1.2
107.04938	6.3
109.02877	9.6
109.06531	3.5
111.04432	5.5
115.05476	2.5
117.06977	1.3
119.04922	6.5
121.02857	9.4
121.06484	1.6
123.04419	4.3
125.02318	1.2
127.03909	2.2
131.04924	3.6
133.02859	1.3
133.06485	3.5
135.04440	4.4
137.02344	2.5
137.05933	4.2
139.03905	3.7
145.02827	1.0
145.06419	1.7
147.04405	10.7
149.02293	4.5
149.05960	2.1
151.03902	7.3
153.01852	2.4
159.04419	4.7
161.02382	1.4
161.05983	3.9
163.03902	5.9
165.01920	1.6
165.05473	1.5
171.04424	1.1
173.02336	3.1
173.05978	1.1
175.00240	3.0
175.03873	3.1
177.01834	5.4
177.05496	6.3
179.03412	2.1
181.04900	1.5
182.04915	4.0
187.03879	7.4
189.01839	8.2
189.05426	1.5
191.03368	8.0
193.01341	2.1
194.05737	4.4
195.02887	13.7
199.03819	0.9
201.01717	1.0
201.05559	2.6
203.03419	3.4
205.01385	2.9
205.04944	7.1
207.02879	18.9
208.02859	5.0
209.04485	2.3
212.06659	2.3
215.03433	4.7
217.04941	1.3
219.02884	65.5
220.03265	1.3
221.04503	2.0
223.02362	10.5
225.03941	18.3
227.03404	1.2
229.04982	3.7
231.02896	3.1
233.04456	24.5
237.04115	2.0
241.04745	0.9
243.02852	2.5
245.04478	3.9
247.06017	2.8
249.03853	4.5
251.05423	4.1
257.04443	3.3
259.02402	1.3
261.03949	100.0
262.04327	2.1
273.03912	13.6
275.05447	2.8
285.03946	10.6
291.04959	11.7
297.07648	1.5
303.04980	32.2
309.07761	4.6
321.06058	15.8
325.07104	3.9
327.05014	1.6
327.08630	22.0
339.07870	25.1
381.09692	14.6
393.09650	14.9
405.09628	4.4
423.10785	4.9
441.11670	5.3
459.12506	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	457.3676
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
51.34535	0.9
55.05509	3.9
57.07071	1.2
59.05003	1.3
59.37965	0.7
65.03924	1.2
67.05508	12.3
69.07068	7.8
69.99289	2.2
69.99698	3.2
71.05000	1.1
74.97374	0.8
75.19583	0.8
78.39203	0.8
79.05493	6.1
80.47830	0.8
81.07056	13.6
83.04993	1.1
83.08613	4.1
91.05478	5.9
93.07050	11.7
95.04956	2.0
95.08052	1.4
95.08614	16.0
97.10149	1.5
101.88715	0.8
105.07033	12.1
107.08587	16.7
109.06512	1.0
109.10159	16.2
111.08094	1.3
117.07022	1.3
119.08589	15.8
121.06515	6.0
121.10143	13.6
123.08105	2.2
123.11738	4.4
124.35284	0.9
125.09612	1.8
131.08600	2.7
133.10127	8.0
135.08067	3.8
135.11703	7.5
137.13275	1.3
145.10132	3.6
147.11685	6.2
149.09619	4.2
149.13274	2.9
151.11197	1.1
157.10184	1.5
159.08066	1.6
159.11745	5.9
159.12842	1.0
161.09656	2.6
161.13255	8.6
163.11163	1.8
163.14853	2.6
164.15414	1.0
171.11740	1.1
173.13316	2.0
175.11212	1.1
175.14851	2.9
177.12746	1.9
185.13312	1.8
187.11166	1.9
187.14819	2.2
189.12785	2.7
189.16405	3.6
191.17987	1.3
199.14766	0.9
201.16417	1.6
203.14345	2.2
205.15919	1.0
213.16577	1.1
235.16920	1.5
243.17441	2.1
261.18661	1.5
303.23163	1.4
317.24884	5.0
329.24518	1.4
439.35776	3.3
457.36832	100.0
458.37134	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
50.61093	0.3
53.03936	0.7
53.09678	0.3
53.19776	0.3
53.34147	0.3
55.05510	3.2
56.38605	0.4
57.03429	0.3
57.07058	1.2
59.04989	1.2
61.22383	0.4
61.35674	0.3
64.58575	0.3
67.05499	5.0
69.03435	0.4
69.07066	7.5
71.04988	2.6
71.08631	0.9
71.59783	0.4
79.05484	4.0
80.05872	0.4
81.07050	7.0
83.04977	0.5
83.08597	1.7
85.06521	0.5
85.10190	0.6
89.06044	0.9
91.05471	3.7
93.07039	8.4
95.04959	1.1
95.07988	0.6
95.08601	11.9
97.06533	0.4
97.10149	1.2
99.08092	0.7
105.06377	0.6
105.07027	6.9
107.05004	0.4
107.08589	13.8
109.06506	0.9
109.10149	8.1
111.08101	1.0
111.11714	0.9
117.07048	0.9
119.08571	9.9
121.06490	5.7
121.10140	11.3
123.08079	2.0
123.11697	3.2
125.09641	1.2
127.11166	2.2
127.22365	0.3
131.08556	2.1
131.65964	0.3
133.08595	0.6
133.10132	6.6
135.08049	4.4
135.10706	0.5
135.11693	6.0
137.09621	0.8
137.13252	1.0
139.07562	0.5
139.11206	0.4
143.08563	0.8
144.09344	0.6
145.10094	3.3
147.08049	1.2
147.11699	4.9
148.12032	0.4
149.09604	4.6
149.13251	2.8
151.11212	0.5
151.14777	0.4
153.09158	0.4
157.10147	1.4
159.08072	1.3
159.11668	4.3
161.09621	1.4
161.13255	5.9
163.11163	1.0
163.14830	1.2
169.10155	0.6
171.11687	0.9
173.09604	1.0
173.13248	2.4
175.11209	1.4
175.14795	2.1
177.12778	1.3
177.16267	0.4
183.11586	0.6
185.13281	1.0
186.77669	0.3
187.11218	1.1
187.14803	2.1
189.12708	2.2
189.16393	1.5
191.17966	0.4
199.14827	0.9
201.12709	0.9
201.16425	1.3
203.14372	1.4
203.17960	1.0
204.14847	0.4
205.15915	1.1
213.16443	0.6
215.14317	0.4
215.18007	0.8
217.15901	0.7
217.19475	0.7
223.16870	0.4
225.16417	0.5
228.15263	0.4
229.15858	0.7
231.17392	0.6
243.17451	1.9
261.18512	0.8
303.23260	1.3
315.18073	0.9
315.23312	0.4
317.24698	4.6
329.24774	1.5
421.34207	0.4
439.35684	0.7
457.36746	100.0
458.37064	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	457.3676
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03942	2.8
55.05299	1.3
55.05508	13.8
57.07059	4.6
59.04994	1.1
67.05170	2.0
67.05505	27.9
69.03442	1.8
69.07071	18.6
69.77626	1.1
69.87827	3.9
69.88226	2.4
73.99556	1.5
79.05491	15.0
81.07055	39.8
83.08611	10.3
91.05477	13.9
93.07042	27.1
95.04932	2.5
95.08607	43.2
97.06504	1.4
97.10168	2.4
105.07030	21.2
107.08592	39.1
109.06564	2.5
109.10154	59.2
111.08074	10.3
111.11768	1.3
117.06956	2.6
119.08580	26.8
121.06520	8.7
121.10140	28.6
123.08070	4.2
123.11701	37.1
125.09661	2.3
128.06198	1.2
131.08566	5.6
133.10147	19.8
135.08069	12.1
135.11684	19.5
137.09637	2.1
137.13278	2.7
142.07732	2.2
143.08618	4.1
144.09285	1.6
145.10135	9.8
147.08051	3.6
147.11681	20.3
149.09627	6.3
149.13254	14.4
157.10147	6.1
158.10751	1.4
159.08133	1.4
159.11722	9.7
161.09634	4.4
161.13255	10.0
163.11235	1.3
163.14804	5.3
165.12733	1.4
169.10043	1.6
171.11684	4.7
173.09627	2.0
173.13266	5.2
175.11217	3.9
175.14841	7.3
177.16437	1.6
183.11691	2.4
185.13290	7.1
187.11169	1.4
187.14836	5.0
189.12794	3.1
189.16348	8.9
191.14397	1.2
191.17978	3.6
197.13330	2.7
199.14870	6.3
201.12772	2.0
201.16371	2.9
203.14354	8.1
203.17964	4.2
205.15958	1.8
205.19505	6.5
215.14331	6.1
215.18005	4.0
217.15906	18.4
217.19493	7.8
235.16888	9.5
253.19505	1.4
311.23801	2.6
339.26944	2.2
351.26685	1.4
365.28232	2.0
369.27985	4.3
421.34549	8.8
439.35760	33.4
440.36105	1.7
457.36801	100.0
458.37085	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Karavilagenin E
Peak:m/z	Relative Intensity
53.03944	2.0
55.05508	11.3
57.07077	2.8
59.50095	1.5
66.14554	1.7
67.05505	16.5
69.07070	54.4
70.52807	1.7
70.84268	3.0
70.84641	3.7
72.13126	1.5
72.40338	1.6
79.05494	9.8
81.07055	29.0
83.08603	6.7
91.05485	12.5
93.07042	25.2
95.04970	2.1
95.08602	25.1
97.10161	3.5
104.10437	1.6
105.07022	20.4
107.08593	28.1
109.06492	4.7
109.10159	27.1
111.08027	2.0
111.11708	4.8
117.07007	2.9
119.04911	3.0
119.08575	32.0
121.06503	27.1
121.10143	26.3
123.08057	7.4
123.11710	9.9
125.09608	5.2
131.08568	7.2
133.06436	3.9
133.10107	13.5
135.08043	12.7
135.11671	11.3
137.13219	3.1
139.07591	4.2
143.08554	4.1
145.10112	13.6
147.08057	10.8
147.11664	11.6
149.09630	17.5
149.13264	3.5
152.76317	1.9
155.08626	2.4
157.10100	4.7
159.08047	12.8
159.11685	10.6
161.09586	11.3
161.13272	17.6
161.14536	2.2
163.11209	10.5
163.14751	2.1
165.09099	3.0
169.10129	3.4
171.11693	5.6
173.09616	6.9
173.13249	7.4
175.11208	22.3
175.14813	5.4
177.12813	2.2
183.11758	2.2
185.13258	3.8
187.11247	9.2
187.14804	4.3
189.12732	39.0
189.16344	2.7
197.13229	3.4
199.11214	2.3
199.14714	3.5
200.12009	2.2
201.12721	8.0
201.16351	3.6
203.14337	5.4
211.14722	2.3
213.12622	5.3
215.14297	4.3
217.15836	2.7
225.16364	2.9
229.15865	11.0
243.17470	29.5
255.17430	4.6
259.16953	6.3
261.18500	20.7
269.18887	4.2
273.18402	11.6
285.22018	3.4
287.20013	7.6
289.21555	2.5
299.23660	2.1
303.23242	6.3
311.23752	4.3
315.23230	20.9
317.24585	2.9
327.23135	2.6
329.24738	100.0
330.25336	4.7
341.24832	2.3
343.26190	2.1
353.28247	2.1
355.26236	4.7
357.27863	13.6
383.29279	3.7
421.34589	4.7
439.35733	78.7
439.41739	4.0
440.36053	4.1
457.26920	2.5
457.36780	20.1
458.37216	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	457.3674
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
51.57670	0.8
55.05505	4.3
57.07055	1.1
64.27493	0.7
67.05507	12.6
69.03423	1.2
69.07066	8.2
71.04964	0.8
71.43323	0.8
71.58961	1.0
71.59381	1.6
79.05487	6.4
81.07053	13.0
83.08619	2.5
91.05477	6.1
93.07046	13.7
94.07344	0.9
95.04957	1.2
95.08610	14.2
105.07021	9.6
107.05005	1.0
107.08591	18.4
109.06499	1.7
109.10155	18.8
109.10904	1.1
111.08096	1.9
119.08570	15.8
121.06525	5.7
121.10133	12.0
123.08091	2.5
123.11703	5.8
125.09616	1.7
131.08585	3.5
133.10139	8.4
135.08038	3.6
135.11699	6.7
136.08308	0.8
137.13255	1.1
139.07587	1.2
145.10118	5.3
147.08081	1.3
147.11688	7.2
149.09628	5.3
149.13234	3.4
157.10132	1.7
159.11682	5.6
161.09558	2.2
161.13235	8.7
162.64688	1.0
163.11243	1.3
163.14850	2.1
171.11687	1.0
173.09647	1.3
173.13264	2.8
175.11290	1.3
175.14836	3.5
177.12923	1.1
187.11061	1.0
187.14836	2.7
189.12759	1.4
189.16382	2.5
199.14864	1.9
201.12616	1.3
201.16452	1.2
203.14276	1.5
205.12206	0.9
215.17966	1.2
217.15884	1.9
217.19450	1.6
225.16386	0.9
243.17477	2.6
317.24802	4.0
420.26776	0.8
439.36343	5.4
457.36816	100.0
458.37021	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	457.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02954	2.3
54.35244	2.5
55.01880	12.4
55.05512	32.2
57.03437	45.8
57.07059	9.4
59.04983	9.2
67.05505	60.2
69.03427	18.0
69.07070	42.4
69.37183	2.2
71.05003	19.8
71.08623	9.1
71.58952	4.2
73.02912	4.3
73.24613	2.2
79.05494	30.5
81.07059	87.8
83.04976	9.3
83.08624	35.0
84.05762	26.7
85.06563	12.7
87.04480	25.1
91.05472	18.3
93.07038	44.1
95.04961	10.3
95.08611	89.2
96.08904	2.8
97.06530	24.1
97.10163	10.4
98.07308	9.4
99.04458	8.0
99.08102	13.1
105.07042	20.9
107.08619	32.5
109.06519	9.5
109.10163	41.3
111.08081	23.5
113.05973	4.4
116.04698	3.2
117.07026	5.4
119.08588	22.9
121.10123	24.1
123.08064	12.2
123.11714	7.3
125.09624	9.5
127.07557	5.2
127.11171	5.4
129.05482	38.7
131.08574	10.4
133.10124	24.4
135.11693	17.7
137.09608	4.7
137.13321	2.5
139.11212	3.0
143.06999	4.3
143.10666	4.4
145.10089	12.7
147.11676	22.2
149.13266	19.7
151.11169	3.8
157.10172	3.5
159.11670	7.1
161.13260	15.7
163.11189	2.8
163.14835	8.7
165.12764	6.5
167.14349	11.0
171.10094	3.3
171.13824	18.4
175.14801	12.4
177.16425	7.0
179.14336	6.6
185.11667	7.5
185.13290	8.9
187.14822	12.1
193.15918	7.0
195.17468	11.7
198.16109	3.4
203.12492	2.7
203.14334	11.2
205.15839	6.7
221.15417	13.2
223.16920	50.2
225.18443	22.2
231.15906	6.9
239.16377	11.0
240.17215	13.1
241.17883	17.6
243.19499	3.7
249.18533	3.9
257.17480	64.9
267.19669	6.9
297.20581	11.7
313.20078	100.0
314.20868	23.5
315.21671	47.8
316.22128	3.6
346.41092	2.4
348.02292	2.7
439.30698	5.5
456.58224	3.2
457.25433	20.3
457.31680	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	457.2403
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.03955	0.7
55.01867	0.6
55.05510	0.9
57.03423	0.8
67.05502	0.8
69.03429	2.7
69.07066	1.2
70.06597	1.9
71.04992	0.9
71.09373	1.1
73.02951	0.5
79.05502	0.6
81.03439	2.6
81.07070	1.6
83.04993	1.1
83.08627	0.7
85.02893	3.3
85.06547	0.6
87.00849	0.9
91.05476	1.2
93.07050	1.4
95.04980	1.5
95.08614	1.5
97.02908	1.5
97.06509	0.7
99.04447	1.3
104.05917	0.5
105.07040	1.4
107.04957	0.8
107.08608	1.3
109.02911	2.2
109.06545	1.0
109.10199	0.9
119.08619	1.0
121.10189	1.0
123.04418	0.6
123.08084	1.4
127.03918	2.7
131.08557	0.5
133.06487	0.6
133.10100	1.1
135.04396	0.5
135.08051	0.8
135.11729	0.8
136.06160	0.6
139.11243	0.6
140.07167	0.4
145.05013	0.5
147.11687	0.6
148.07536	0.6
151.07594	1.4
152.07054	0.5
153.09157	0.8
161.02379	1.9
163.03931	0.6
170.08121	0.8
173.13286	0.9
191.14308	4.8
193.15749	0.5
201.12402	0.5
207.13832	0.6
208.05637	0.5
209.15454	1.4
232.03384	0.5
232.05751	0.5
255.11153	0.5
256.11765	0.6
265.11832	0.5
277.17758	7.3
279.19339	4.9
288.14081	0.5
295.06110	1.6
295.18933	0.9
309.13251	0.9
315.13440	0.8
316.13818	2.5
341.16705	0.5
353.12045	0.8
404.33667	0.5
451.58179	0.5
457.24136	100.0
458.24625	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	457.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01879	0.6
55.05519	0.6
57.03429	0.6
61.02909	0.4
64.27074	0.4
67.05506	0.9
69.03442	2.2
69.07070	1.2
69.28443	1.1
69.28855	3.3
70.06585	1.6
71.04982	1.0
79.05490	1.1
79.56811	0.4
81.03404	1.8
81.07040	2.0
83.04976	0.4
84.56947	0.4
85.02924	2.4
86.09716	0.4
87.00851	0.6
91.05479	1.3
91.19688	0.4
93.07032	0.9
95.04995	0.7
95.08585	2.0
97.02914	1.0
97.06510	0.6
99.04450	0.5
105.01868	0.9
105.07024	1.4
107.04955	0.6
107.08586	1.4
109.02887	1.4
109.06522	1.6
109.10138	0.6
111.04450	0.4
119.04967	0.4
119.08580	0.8
121.06522	0.5
121.10149	0.8
123.04421	0.7
123.08102	1.0
127.03936	2.6
131.08607	0.9
133.02885	0.6
133.10138	1.2
135.04459	0.7
135.11679	0.6
137.06030	0.5
140.07037	0.8
145.10158	0.7
147.11700	0.7
151.07599	0.5
153.09123	0.8
155.66522	0.4
159.02954	0.4
161.02336	3.1
165.12732	0.8
170.06685	0.4
170.08101	0.7
173.13223	1.2
179.03540	0.5
191.14293	3.4
209.15413	0.9
266.12198	0.7
269.12833	0.5
276.86346	0.4
277.17770	7.8
279.19312	5.3
287.14111	0.6
288.14297	1.0
295.06000	3.1
295.18854	1.5
315.13458	1.3
316.13751	2.0
353.12204	0.7
457.24149	100.0
458.24460	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99050	1.1
53.03942	3.5
55.01858	2.9
55.05504	4.5
61.02904	1.2
64.23772	1.1
67.05508	6.6
68.99767	1.3
69.03426	15.5
69.07059	4.8
70.06590	1.7
70.12282	5.5
71.04993	1.3
73.02896	1.5
79.05471	4.5
81.03411	15.2
81.07066	9.2
83.04975	3.9
83.08622	1.4
85.02900	18.7
86.09689	2.9
87.00816	5.5
91.05479	4.1
93.07032	5.8
95.04961	4.7
95.08578	7.7
97.02878	5.8
97.06522	2.0
99.04454	6.0
99.08101	1.3
105.01845	4.9
105.06404	1.8
105.07009	8.0
107.04952	2.2
107.08562	8.7
108.14255	1.2
109.02895	9.2
109.06495	7.8
109.10143	5.6
117.01845	1.9
117.07034	1.3
119.08587	4.3
121.10138	11.9
123.04428	1.4
123.08067	5.3
123.11710	5.2
123.23963	1.4
125.09657	1.8
127.03912	13.9
131.08562	2.9
133.10112	4.2
135.08057	2.9
135.11691	2.4
137.09607	12.0
145.04994	3.3
145.10123	2.9
147.11697	2.4
149.09627	11.6
149.13216	6.0
151.11180	40.9
159.02861	4.0
161.09578	1.7
165.09091	1.9
165.12750	37.7
173.13200	3.1
191.14330	9.6
193.15825	5.8
193.99962	1.2
209.15364	100.0
210.15750	1.5
251.20070	1.6
293.67783	1.2
295.09628	2.9
413.17648	3.3
441.06555	1.4
457.16705	7.3
457.23996	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70880	6.0
53.03937	15.8
53.39637	5.8
55.01857	12.9
55.05514	27.7
57.03443	14.7
57.07071	6.2
67.05492	25.1
68.99776	7.3
69.03423	82.9
69.07071	52.2
69.87857	35.2
70.06575	10.4
70.24126	6.3
71.04983	10.8
72.09070	5.0
79.05492	17.9
81.03411	49.5
81.07061	35.0
83.04977	58.6
83.06027	6.7
83.08600	8.6
85.02900	87.0
85.06470	7.0
87.00834	29.3
91.05480	36.8
93.07051	39.2
95.04962	19.4
95.08598	56.8
97.02899	38.1
97.06520	25.3
99.04450	25.5
105.01884	13.9
105.07024	26.4
107.08588	84.4
109.02850	41.1
109.06524	38.8
109.10145	32.5
111.04454	9.1
111.08086	10.9
119.07840	7.6
119.08549	40.7
121.06486	11.1
121.10132	71.9
123.08068	16.9
123.11654	11.6
125.09628	9.9
127.03905	83.9
129.01788	8.5
129.06908	7.2
131.08554	18.1
133.06471	6.3
133.10120	48.8
135.08060	21.3
135.11687	83.1
137.05981	8.7
137.09604	19.1
137.13246	27.3
139.11131	8.9
145.04962	7.3
145.10049	12.5
147.04387	8.6
147.11661	9.9
149.06001	7.8
149.09621	45.2
149.13271	12.3
149.79219	6.3
151.11177	13.0
153.09079	11.2
158.10893	6.8
159.02898	11.7
163.14790	50.7
173.13243	48.3
175.14836	8.6
177.26582	5.8
189.12804	9.2
191.14284	72.3
203.14459	7.2
209.04430	49.3
209.15344	55.7
221.24388	6.2
231.05025	17.6
256.79547	6.6
295.06027	7.9
295.15158	36.7
299.16550	6.7
326.64456	6.0
351.11636	6.2
413.17764	25.0
439.19412	14.8
457.16483	50.9
457.24414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.2
55.01860	4.2
55.05509	4.5
55.39083	2.2
57.03424	2.6
57.07070	2.0
61.02912	2.4
67.05495	8.2
67.08744	1.8
68.99801	3.6
69.03131	2.1
69.03431	23.9
69.07065	100.0
70.71658	6.5
71.04993	3.7
71.58323	1.8
73.02906	3.9
79.05477	2.9
81.03419	17.5
81.07038	5.5
83.04975	3.0
83.08618	3.0
85.02902	24.5
85.06503	2.8
87.00839	9.9
91.05463	7.7
91.95088	1.9
93.07022	9.9
93.50038	1.9
95.04974	4.0
95.08607	34.5
96.08937	2.2
97.02896	10.7
97.06531	27.6
99.04439	7.2
100.04863	1.9
105.01855	9.1
105.07006	8.9
107.08612	14.3
109.02884	22.2
109.06514	4.3
109.10134	8.0
111.08090	3.0
119.08601	10.7
121.06494	2.8
121.10146	14.9
123.08041	4.2
123.11701	5.0
127.03912	28.1
131.08542	4.6
133.10100	21.9
135.08029	3.5
135.11688	16.6
137.13239	5.6
142.17990	1.9
143.08514	2.3
145.04947	10.3
145.10114	5.5
147.02827	2.6
147.11684	3.2
149.09618	19.0
149.13283	3.6
151.11194	4.0
159.02892	8.0
163.14734	4.9
165.12759	2.2
173.13237	16.6
175.14807	4.4
191.14317	24.4
209.15385	9.0
213.03940	2.3
231.04996	6.9
327.71259	2.3
439.19965	3.8
449.22849	2.6
457.20566	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	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08980	4.3
55.01855	6.3
56.97455	4.6
57.03405	4.9
67.05511	10.4
69.03435	29.7
69.07067	10.4
71.05006	7.8
71.58926	5.8
79.05477	14.9
81.03409	13.0
81.07063	19.6
82.65489	4.0
83.04957	9.6
83.08603	6.9
85.02895	39.7
86.09722	5.3
87.00825	9.8
91.05473	15.7
93.07045	18.3
95.04980	15.3
95.08615	19.7
97.02885	14.0
97.06521	6.3
99.04452	8.5
105.07043	16.3
107.04937	4.9
107.08588	26.3
107.70760	4.3
109.02901	9.4
109.06502	31.7
109.10175	19.1
111.08048	6.7
115.05466	4.9
117.07029	5.1
119.08607	14.2
121.06496	6.5
121.10162	24.2
123.08062	7.7
123.11675	5.6
125.09628	9.3
127.03945	21.8
131.08583	10.8
133.10123	19.4
135.08055	42.4
135.11746	6.5
136.81578	4.4
137.05977	5.2
139.03848	7.9
143.08543	8.3
145.10132	8.9
147.04453	5.6
147.11636	7.8
149.09579	11.8
149.13264	13.5
151.07521	5.6
151.09412	4.4
151.11165	35.3
163.11220	4.7
163.14784	6.7
165.09158	13.4
165.12782	6.0
169.10103	6.1
173.13315	16.6
177.05621	4.8
189.09053	5.8
191.14302	100.0
209.15375	38.8
295.15411	4.3
295.18936	11.8
323.09695	5.3
457.14429	11.9
457.19833	94.8
458.20926	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	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
56.96564	1.5
68.05021	1.0
68.52548	0.9
69.03421	1.6
70.02946	12.4
70.06595	1.6
70.52371	2.4
76.38444	0.9
79.05483	2.1
80.45383	0.8
81.02765	0.8
85.02898	2.0
87.05580	8.4
88.03967	5.2
91.05470	2.4
92.11593	0.8
95.04965	1.7
97.02937	1.3
98.97582	1.7
106.06533	5.1
107.04935	2.8
116.98592	1.9
118.04153	1.6
118.06530	9.0
119.07318	59.3
120.04483	1.6
120.08195	2.1
122.06018	8.7
130.06516	4.7
131.07292	2.8
132.00420	0.9
132.04460	1.4
133.02859	1.6
133.05183	1.2
134.06010	35.1
135.06790	48.5
136.07608	1.0
145.05148	1.3
146.06007	3.7
147.09160	2.0
150.05496	14.4
160.03923	2.6
163.03902	1.0
172.07419	1.0
174.05614	1.0
179.08531	1.2
189.68202	0.9
195.08118	1.2
204.99480	0.9
207.08061	2.6
210.06766	1.1
211.07573	1.1
214.04980	1.3
223.00624	0.9
223.07536	8.4
224.10565	1.3
225.09148	2.1
227.09360	1.6
235.07547	4.5
237.06270	1.0
237.09081	3.5
239.07016	1.8
240.10170	11.8
251.06938	2.3
251.09329	1.3
252.10187	20.4
254.11783	4.8
256.09622	1.8
262.08603	1.9
263.06851	1.1
264.10065	1.2
268.12109	1.1
269.12842	74.1
270.11044	11.3
270.13712	1.1
277.00198	1.6
279.11292	12.3
280.09641	3.1
281.12878	2.3
295.14197	4.6
298.10672	3.3
307.10931	4.9
315.13361	34.5
316.13635	1.1
321.12350	6.5
325.11865	5.8
331.10883	1.8
332.09009	1.5
340.16479	1.7
349.11777	10.9
351.13559	1.5
352.58478	1.3
353.11438	5.4
366.14590	5.7
367.12918	6.4
377.11182	4.8
394.13892	8.9
395.12354	47.4
396.12408	2.2
405.10770	2.9
411.16739	1.7
412.15002	100.0
413.15277	6.7
422.13470	1.5
423.11823	10.6
440.14594	17.5
441.14679	1.4
457.11557	15.5
457.17249	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
58.28339	1.7
63.45317	1.6
70.02962	20.9
71.05278	3.8
75.38297	1.5
79.05512	2.0
84.03273	1.6
87.05596	9.0
88.03996	7.6
91.05491	3.2
98.02446	3.2
106.06557	6.1
107.04965	3.8
108.05746	2.7
110.00684	1.7
118.04141	3.8
118.06543	16.9
119.07327	100.0
120.08157	3.8
122.06013	15.7
123.04453	1.7
130.06548	9.0
131.07297	5.3
132.04448	3.8
133.02861	3.7
134.06020	54.1
135.04530	2.3
135.06804	79.2
143.07251	1.8
144.05621	1.7
145.05186	2.7
146.05995	4.9
147.09154	2.4
150.05510	18.2
150.44159	1.7
160.03918	6.8
179.08600	2.9
183.08136	1.8
195.08125	2.6
207.08089	4.7
210.06822	2.3
214.04922	2.2
223.07503	11.0
225.09077	3.5
227.09415	2.1
230.04549	2.1
235.07568	6.4
237.09180	2.8
239.07089	2.1
240.10187	21.2
251.07082	3.4
252.10194	25.5
254.11743	6.3
256.09634	2.8
262.08621	2.1
266.08295	1.9
268.12125	3.4
269.12848	96.8
270.11087	18.7
278.07996	2.6
279.11313	20.6
280.09625	8.0
281.07974	2.1
281.12735	2.1
295.11484	1.7
295.14481	6.7
298.10751	5.1
307.10776	7.4
315.13425	32.1
321.12350	8.1
325.11871	7.4
340.16470	2.8
349.11777	16.1
353.11255	4.5
366.14355	8.0
367.12930	6.5
377.11304	5.0
394.14087	7.7
395.12393	49.7
396.12262	2.4
412.15039	85.2
413.15375	5.4
423.11942	5.7
440.14621	19.6
455.24445	1.9
457.17087	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	457.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	9.1
55.22338	0.8
57.03449	5.0
58.62460	0.9
61.02924	2.8
65.03939	1.0
67.01868	1.1
67.05484	1.4
68.30180	1.0
68.99820	0.9
69.03412	5.3
70.06613	1.1
70.18967	4.1
71.01359	1.7
73.02912	2.7
73.85007	1.0
78.80863	0.9
79.05488	2.2
81.03419	7.0
84.08181	0.9
85.02897	22.1
89.03872	0.8
91.05487	3.9
93.03407	1.7
93.07069	0.9
94.69488	0.9
95.01331	2.0
95.04976	3.4
97.02866	9.8
99.04402	1.4
103.03944	4.7
103.05453	1.1
105.03409	1.4
105.06969	1.4
107.04969	3.1
109.02872	10.1
115.05450	2.8
117.07005	1.8
119.04955	3.8
119.07357	0.9
121.02847	13.9
121.06492	1.2
123.04403	4.4
125.13760	0.8
127.03910	2.9
128.06209	2.7
129.06981	3.7
129.67479	0.9
131.04921	4.2
133.06497	3.2
135.04427	3.5
135.06729	1.1
136.07614	1.6
137.05997	2.5
139.03816	2.5
139.74854	1.0
140.07086	1.1
141.06993	2.8
143.04959	1.7
143.08607	1.2
145.02773	1.9
145.06467	4.5
147.04378	7.8
149.02385	1.7
149.05978	3.9
151.03909	6.1
153.07013	2.4
155.04926	1.7
155.08554	1.4
157.06459	5.7
159.04427	6.8
159.08012	1.6
161.02325	1.2
161.05945	6.3
161.10735	10.2
163.03877	9.6
165.05458	2.3
165.06906	1.7
167.03412	2.2
167.08606	1.4
169.05035	1.5
169.06482	4.6
171.04399	5.0
171.08051	2.8
173.02350	1.2
173.05971	7.5
175.03918	13.1
175.07513	4.4
176.04549	6.3
177.01816	1.1
177.05522	11.1
181.04962	13.8
181.06477	3.3
183.02966	1.3
183.08040	2.8
185.05966	10.5
187.03889	16.6
187.07552	2.6
188.04556	1.3
189.01782	1.3
189.05475	11.7
191.03346	2.1
191.07007	4.7
193.04956	28.8
193.06654	1.6
195.08093	2.1
197.05959	6.1
199.03885	6.1
199.07533	4.6
200.04707	1.3
201.01845	2.9
201.05461	25.7
202.06297	1.1
203.03352	1.9
203.07039	13.6
205.04944	24.1
207.02814	1.2
207.06532	4.1
208.07196	3.8
209.05841	2.1
209.07536	3.9
211.03946	3.0
211.07556	3.6
212.04425	1.3
213.05481	12.0
214.06123	1.0
215.03438	2.3
215.07013	6.7
217.04953	22.1
217.08638	3.8
218.05579	1.3
219.03050	9.7
219.06508	31.5
221.04413	4.7
223.05670	1.2
223.07642	2.6
224.04697	1.4
225.05476	12.6
226.06270	1.1
227.03487	2.8
227.07021	12.8
229.04973	17.4
229.08438	1.3
230.05476	1.9
231.03067	1.4
231.06493	22.5
233.04492	3.0
233.08157	1.7
235.05925	10.6
237.05466	3.4
239.03304	1.8
239.06973	4.6
241.04951	13.4
241.08662	2.4
242.05727	1.2
243.06519	20.5
245.04359	4.4
245.08084	12.9
247.06009	100.0
248.06377	2.5
249.03690	1.1
249.07726	1.2
250.06250	1.5
251.07156	5.7
253.04955	14.0
254.05609	1.6
255.06471	15.6
257.04404	3.3
257.08121	6.0
259.06009	70.3
260.06339	1.6
261.03809	1.8
261.07629	3.2
265.04825	1.7
267.06525	10.0
268.07202	1.6
269.04486	1.7
269.08139	6.1
271.03024	2.0
271.05975	34.7
272.06485	1.0
273.04370	2.2
273.07532	27.9
275.05527	3.0
277.07104	11.2
277.15521	1.4
279.06503	12.5
281.04413	2.3
281.07751	1.1
283.05988	22.3
285.07562	20.4
287.05536	5.3
287.08801	2.1
289.03806	2.0
289.07050	35.0
290.07410	1.2
291.06448	1.3
293.08279	1.2
295.05829	10.3
295.16501	5.5
297.07523	20.0
299.05414	4.0
299.08835	1.7
301.07040	94.0
302.07443	2.5
307.08392	21.2
309.07538	3.8
311.09085	3.0
313.06967	85.7
314.07361	2.2
315.08652	6.4
319.08447	5.6
325.06601	22.5
325.09213	61.0
326.07367	2.9
327.08508	3.0
331.08044	9.7
335.07767	1.2
337.07098	4.1
339.08615	2.8
343.08112	59.5
344.08566	1.4
349.07074	1.4
355.08105	24.0
361.09158	43.7
367.08057	9.6
373.09167	24.8
379.10236	41.8
385.09106	15.6
391.10208	36.7
403.10193	21.6
409.11197	4.0
412.15240	1.4
421.11270	24.2
439.12372	16.6
457.13153	6.6
457.21832	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	456.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	10.0
55.05490	11.0
58.06604	93.9
67.05508	13.8
69.03399	15.4
69.07030	14.6
69.52012	8.6
71.58709	13.3
79.05480	12.6
81.03445	10.7
81.07044	28.2
84.04489	16.2
85.02905	25.4
91.05475	30.5
93.07048	19.7
94.06567	100.0
94.59546	9.4
95.04990	15.4
95.08588	18.2
99.51982	9.4
101.07137	17.2
105.06993	16.8
109.02864	9.5
109.06498	10.6
109.10188	11.7
116.07087	17.8
119.04932	18.7
119.08590	15.1
120.05206	10.6
121.10134	10.0
127.03912	11.7
136.70366	9.0
145.00880	9.5
145.06422	10.8
146.58672	8.5
147.04398	24.2
148.04720	9.9
161.06116	9.2
175.03983	14.8
175.14474	17.3
177.10252	59.8
179.11826	60.2
190.06958	10.2
191.14230	11.8
207.06531	20.4
208.06842	20.1
209.15363	19.3
220.27446	9.7
222.12421	16.7
238.11847	11.7
294.17917	11.0
424.26865	13.3
456.22375	11.3
463.40875	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	456.2127
Annotation	Renieramide
Peak:m/z	Relative Intensity
55.01837	1.7
56.45103	0.4
58.50435	0.4
62.22394	0.4
67.05467	1.5
69.07065	7.9
70.06551	1.5
71.45659	0.8
79.05469	1.0
81.03377	0.9
81.07041	1.0
85.02877	0.5
86.42991	0.5
91.05439	1.3
93.07024	0.5
94.06537	1.1
95.04945	0.7
95.08567	1.4
96.08109	0.6
97.06544	0.6
103.02465	0.5
105.06990	0.6
106.06527	1.1
108.04465	0.9
108.08062	1.2
109.06526	2.2
110.06046	0.5
112.07565	0.8
120.08099	3.2
122.05982	1.4
134.05977	0.9
135.04379	1.0
136.07521	1.3
138.05461	0.5
140.07069	12.5
140.81738	0.5
141.05096	0.5
146.05995	0.7
146.09564	0.7
148.07578	5.6
152.07068	1.6
154.08583	2.0
155.08168	0.5
158.00011	0.5
160.07558	0.9
162.09163	1.1
164.10716	0.9
168.06659	2.3
170.08272	0.9
170.09595	0.5
173.07100	0.9
174.05516	0.6
174.09155	1.2
175.08676	1.2
178.08598	1.7
184.09846	0.6
185.10707	1.4
186.07784	0.7
187.08641	0.7
192.10155	3.1
194.08153	1.2
196.09799	0.6
197.10713	1.3
198.09163	1.3
199.08640	4.1
200.09373	1.3
201.10263	3.2
202.10771	0.5
211.12346	1.3
212.09291	0.9
213.10211	4.3
214.10779	1.3
214.12541	0.7
215.08240	1.3
215.11798	3.0
224.10777	0.7
225.10228	3.2
226.08604	1.1
226.12405	0.6
227.08127	1.7
227.11748	5.7
228.12471	1.2
229.09802	2.2
229.13382	1.2
230.10477	0.6
237.10223	0.6
238.08719	0.5
239.11815	0.7
240.08940	0.6
240.12494	0.8
241.09737	3.3
241.13383	2.4
242.10492	1.8
243.11325	2.2
252.10098	0.7
253.09770	0.9
255.11305	14.5
257.12863	1.2
259.10782	0.5
259.14404	3.1
265.11807	3.6
267.15009	0.6
269.12787	4.1
273.12405	1.6
275.13882	1.9
283.10715	1.7
285.12326	1.2
287.13901	18.6
288.14270	0.8
289.15436	3.1
297.12332	7.2
298.13004	1.2
299.13928	1.7
301.11780	6.5
302.12643	1.5
303.13370	5.1
311.14008	1.5
312.19263	0.5
315.13373	64.0
316.13867	2.9
317.14847	7.1
355.16562	1.0
383.15903	1.3
383.19788	1.4
393.18353	0.9
396.19614	0.5
411.18970	3.2
428.21906	4.7
438.20074	5.2
439.19058	0.7
456.21307	100.0
457.21646	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	456.2129
Annotation	Renieramide
Peak:m/z	Relative Intensity
55.01875	2.4
55.05510	0.3
63.75185	0.2
66.55961	0.3
67.05495	0.7
69.03397	0.4
69.07066	1.4
69.95625	1.5
70.06583	0.8
72.04537	0.2
72.69582	0.2
73.02891	0.3
81.03419	0.3
91.05460	0.8
93.07032	0.3
95.05018	0.3
95.08617	1.4
97.06541	0.5
98.20886	0.4
107.04975	0.3
108.04482	0.6
109.02913	0.3
112.07609	0.7
119.04946	1.4
120.08093	0.3
121.06585	0.3
122.06025	0.6
124.07571	0.3
135.04390	2.1
138.09149	0.3
140.07069	3.5
146.05881	0.3
147.06839	0.4
148.07565	2.5
163.08653	0.3
164.10680	1.9
168.06567	3.0
174.05518	0.8
174.09155	0.6
192.10258	2.2
198.09097	0.9
199.08656	4.0
201.10228	0.2
203.09500	0.4
208.13298	4.0
210.09286	0.7
212.09413	0.4
213.10248	1.0
214.06158	0.3
214.11147	0.5
215.11766	1.2
224.10779	0.5
225.10191	3.6
226.08652	1.3
227.08264	1.3
227.11842	1.7
229.09692	0.3
241.09756	0.9
241.13426	0.8
242.10478	0.6
243.11237	1.2
250.14114	0.3
252.10057	0.4
254.10301	0.3
255.11287	14.4
256.11737	0.5
265.11829	4.1
269.12875	4.3
287.13956	0.8
289.11771	0.5
297.12354	5.3
299.13983	0.3
315.13385	100.0
316.13724	2.3
317.11472	0.6
318.12009	1.7
374.18216	0.3
438.19772	0.4
456.22171	2.9
457.24139	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01859	0.4
57.03416	1.1
59.09313	0.3
59.23797	0.3
61.02928	0.4
67.05489	0.2
68.99773	0.3
69.03427	4.5
69.07039	0.3
70.06592	0.7
70.85577	0.8
71.04982	0.6
73.02895	0.8
80.04996	1.1
81.03415	3.9
85.02908	5.0
86.09686	0.4
87.00829	1.5
87.04446	0.4
91.05480	0.3
95.17009	0.3
97.02900	2.1
98.97533	0.3
99.04448	1.0
105.01855	0.8
108.04430	0.5
109.02868	2.3
116.98616	0.3
117.01753	0.3
119.07332	1.0
122.06023	0.4
127.03922	3.7
129.01846	0.6
134.05965	0.4
139.03911	1.1
140.07051	0.5
145.04973	1.0
147.04396	0.7
148.05070	4.0
148.07541	1.4
159.02870	0.9
163.03934	0.4
168.06493	0.3
175.03778	2.5
176.04553	100.0
177.04915	1.7
187.06064	0.4
200.04628	0.5
207.06396	0.5
208.07176	94.1
209.07466	1.4
218.05539	1.7
228.45712	0.3
231.05031	0.4
237.02861	0.3
250.08394	0.7
269.12646	0.3
287.13956	0.7
292.28830	0.3
292.84283	0.3
315.13504	2.0
370.12354	1.9
412.13354	0.8
424.09979	2.4
428.21500	0.5
456.12445	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	455.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.1
64.40330	0.1
70.11497	0.1
70.11868	0.3
98.20809	0.1
112.89591	0.1
128.87938	0.1
145.78532	0.1
149.01186	0.1
167.02272	0.1
167.80353	0.0
173.44946	0.1
175.06441	0.1
239.06210	0.1
263.06152	0.1
293.06134	0.2
311.06830	0.1
347.40854	0.1
382.32800	0.1
412.94370	0.1
455.11569	100.0
456.11929	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	455.3518
Annotation	Embelinone
Peak:m/z	Relative Intensity
55.05503	3.0
57.07069	1.3
67.05497	6.9
69.03083	0.7
69.03432	8.9
69.07071	3.1
69.68489	4.1
71.04989	1.6
72.34818	0.6
79.05479	3.6
81.06583	0.7
81.07053	10.0
83.04958	1.2
83.08605	2.1
85.06536	0.7
90.19666	0.6
91.05478	4.3
93.07040	11.8
94.81036	0.5
95.04958	1.4
95.07986	0.6
95.08605	11.1
97.06509	3.9
97.10168	1.5
97.65569	0.5
104.35171	0.5
105.07025	7.2
107.08595	15.0
109.06505	1.2
109.10146	10.8
111.08049	1.2
117.07017	1.3
119.08578	12.3
119.09419	0.4
121.06506	5.7
121.10137	14.8
123.08072	2.1
123.11707	4.3
125.09629	5.7
131.08562	3.0
133.10146	6.7
135.08070	3.7
135.11679	8.3
137.09561	0.9
139.11250	0.7
143.08568	1.5
145.10110	5.8
147.08000	0.8
147.11694	5.1
149.09657	4.1
149.13228	3.7
157.10143	2.2
159.08067	2.0
159.11684	7.0
161.09625	2.0
161.13248	5.8
163.11176	1.5
163.14803	1.7
167.14432	0.8
171.11696	2.2
173.09618	1.6
173.13226	3.9
175.11177	1.8
175.14806	2.9
177.12784	1.5
177.16470	0.6
183.11673	0.7
185.13274	1.9
187.11188	0.7
187.14825	3.1
189.12785	2.5
189.16408	1.8
190.88298	0.6
199.14853	1.7
201.12744	0.9
201.16418	1.8
203.14337	0.7
203.18028	1.2
205.15904	1.8
213.16475	1.5
215.14403	0.9
215.18004	1.4
217.15872	1.1
223.98975	0.5
227.17976	0.7
227.97023	0.6
228.14949	0.8
231.17390	1.1
233.15424	1.5
238.64137	0.6
243.17493	1.9
252.89737	0.6
261.18539	1.4
273.18506	0.7
301.21716	1.5
315.23221	5.0
329.24796	2.3
419.33099	1.5
423.01956	0.6
437.34180	4.5
455.35211	100.0
456.35431	5.9
480.03494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96533	1.3
69.91631	5.6
98.21516	0.9
103.54065	0.8
112.89569	1.7
119.01982	0.9
124.30712	0.8
126.23753	0.9
126.91001	0.7
131.00130	0.9
138.49104	0.8
141.02438	0.9
147.25218	0.9
149.01231	2.6
157.04077	0.9
166.20496	0.9
167.02245	1.1
179.47226	0.9
191.02101	0.9
245.05048	1.1
264.56512	1.1
293.05313	1.8
311.06421	2.1
455.11615	100.0
456.11942	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	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05490	3.6
56.96577	1.3
57.03427	3.2
57.06818	1.8
57.07076	19.4
62.05792	1.3
62.06089	25.8
64.31036	1.1
67.05496	6.7
67.80291	1.1
69.07065	5.9
69.33581	12.2
71.08627	15.0
79.05492	1.4
81.07043	7.8
83.08593	4.4
85.10178	7.1
91.05473	1.7
93.07036	2.3
95.08598	10.7
97.10162	2.7
98.98459	5.5
107.08591	1.5
109.10184	5.5
123.11682	2.6
142.02649	1.3
155.01028	7.1
173.02161	1.3
181.06506	1.5
216.06335	2.4
225.09102	2.0
239.23640	1.2
256.26242	2.2
260.65414	1.2
282.27902	14.5
309.59021	1.4
313.27356	100.0
329.96259	1.2
393.23914	5.1
454.33847	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.45179	3.5
55.05510	21.2
55.31635	3.9
57.03420	3.6
57.07064	6.1
67.05511	34.4
69.03442	5.7
69.07072	31.1
69.44207	34.4
79.05514	17.2
81.07056	46.6
83.08626	8.8
91.05486	14.7
93.07036	16.7
95.04989	5.8
95.08614	40.3
97.06538	8.3
97.10176	5.1
98.20693	6.1
99.56184	3.2
99.99620	3.8
105.07034	21.9
107.04910	3.9
107.08591	26.2
109.10146	32.7
109.58981	3.2
111.08065	5.1
117.07019	5.8
119.08611	23.7
121.10150	32.8
123.08070	7.7
123.11726	8.0
125.09598	5.7
129.07031	7.1
131.08578	7.0
133.06503	4.4
133.10114	22.6
135.08044	11.0
135.11682	10.1
137.13266	7.2
143.08591	7.1
145.10115	12.8
147.08064	3.9
147.11703	7.3
149.09602	6.8
149.13310	5.2
157.10136	10.3
159.08069	7.1
159.11708	11.5
161.09662	8.8
161.13319	5.3
163.14806	3.6
171.11734	9.6
173.09637	6.9
173.13303	5.0
175.14917	4.8
183.11710	6.5
185.09651	8.2
185.13197	7.2
187.11172	11.1
187.14844	6.8
188.08279	7.2
189.09105	7.7
189.12692	4.2
192.44104	3.4
193.12152	4.0
195.11745	4.4
197.09592	6.9
197.13254	4.2
199.14940	9.4
201.12794	5.0
203.14317	7.0
203.17949	4.0
207.11678	5.5
209.13351	5.0
211.11212	4.5
213.09108	11.3
213.12685	6.7
215.14328	5.6
221.13237	5.1
223.14798	4.5
225.12727	6.9
239.14313	5.4
241.15790	4.4
259.17123	5.8
265.16162	4.0
269.18973	4.6
281.19034	9.5
283.16962	4.5
299.19983	21.6
301.17972	94.0
349.25415	4.6
417.31528	16.9
435.32712	43.5
453.28040	7.5
453.33719	100.0
454.33902	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	453.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01873	4.5
55.05512	13.7
56.96554	3.3
57.03437	2.8
65.58579	1.6
67.05508	22.4
67.69411	1.6
69.03426	10.3
69.07066	13.9
71.04977	4.5
71.61945	1.2
79.05489	15.0
81.03420	14.0
81.07055	16.1
83.04978	3.4
83.08620	6.1
85.02901	7.6
91.05487	11.5
93.07048	13.9
95.04977	7.5
95.08601	11.3
97.02892	6.4
97.06548	2.8
97.10174	7.6
99.04431	2.3
99.08089	1.6
99.73826	1.3
102.54449	1.3
103.54530	1.3
105.03358	1.8
105.07024	10.7
107.04960	5.4
107.08593	8.7
109.02882	5.0
109.06562	2.5
109.10168	7.4
111.02680	1.3
111.08087	2.3
117.07012	6.5
119.08574	7.6
121.06496	1.4
121.10159	4.4
123.04425	2.1
123.08051	3.8
123.11745	2.9
125.09626	5.0
127.03929	6.2
129.06984	2.9
131.08595	5.2
133.06482	3.0
133.10141	5.1
134.07306	1.5
135.11737	1.4
137.09602	2.5
138.68791	1.5
143.08549	2.1
145.10165	4.5
147.08072	4.3
147.11662	3.1
151.11177	1.4
157.10110	4.1
159.11716	3.3
161.09669	2.4
163.11246	2.2
175.11264	2.9
189.11270	3.6
192.43321	1.5
223.13264	11.5
229.66460	2.0
249.14880	1.8
261.07690	1.8
273.18555	8.6
291.19543	100.0
292.20020	2.4
301.63019	1.4
393.10446	1.5
411.11267	5.3
435.23773	4.0
453.24930	5.5
453.33856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1387
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01862	3.0
56.96558	7.9
57.03413	1.8
59.06113	2.8
60.04509	1.3
61.02913	2.6
67.05491	2.8
68.99792	2.1
69.03432	5.9
69.61132	8.4
71.04953	1.2
75.44650	1.2
81.03423	2.8
85.02908	16.8
91.05463	2.0
94.93951	1.3
95.04958	2.2
97.02892	5.3
99.04375	1.3
107.04958	2.3
109.02878	2.2
111.04439	5.1
119.04943	6.0
120.08116	1.2
123.04429	61.6
127.03924	3.2
135.04436	6.7
137.05959	2.0
139.03903	100.0
143.00127	1.7
145.05006	1.7
147.04434	20.5
151.03908	5.4
157.07611	1.5
159.03294	2.7
161.01208	3.7
161.05957	3.8
162.05495	1.4
163.02713	2.1
163.03915	19.3
163.06093	1.2
165.05486	14.4
169.05023	2.0
172.07681	1.4
174.03596	1.2
175.03909	1.8
177.05525	1.6
181.04935	3.1
185.01297	1.7
188.06892	1.1
189.05466	1.9
193.04932	1.7
201.05544	1.5
205.04935	3.9
207.06685	2.5
209.01280	1.7
211.02855	2.1
213.00673	2.1
217.09854	1.3
231.01762	5.1
235.05937	1.9
237.00665	3.3
247.06020	1.9
249.02831	3.7
255.01698	9.4
261.08722	2.2
271.05991	2.0
272.10199	1.9
273.02811	14.3
273.07538	8.3
273.10522	2.9
279.09808	1.6
283.05850	1.6
291.08652	15.0
301.06845	2.3
393.04935	3.4
411.05997	5.5
413.90091	1.6
424.68954	1.2
429.06830	3.6
435.10938	1.4
453.14307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1391
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03931	1.2
55.01864	1.7
56.96539	0.7
57.03431	1.6
57.58974	0.5
61.02917	2.4
65.03918	1.0
67.01867	0.7
67.05499	1.9
68.99782	1.5
69.03436	6.3
69.30042	4.8
69.30447	1.0
71.01360	0.6
71.04988	0.9
73.02925	0.7
77.44831	0.5
81.03424	2.4
83.04984	1.5
85.02909	19.5
87.04472	1.1
91.03938	1.1
91.05500	1.1
93.03394	1.3
95.04955	1.6
97.02904	5.6
99.04504	0.9
107.04947	1.7
109.02863	2.8
111.04453	3.5
119.04967	4.0
121.02929	0.9
123.04433	50.7
124.04772	0.8
127.03914	3.8
135.04422	2.1
137.05978	1.3
139.03906	100.0
140.04254	1.4
145.04964	2.3
147.04419	15.2
151.03906	3.8
153.05504	2.5
161.05977	2.4
163.03917	2.8
165.05482	13.9
169.05003	1.5
177.05565	0.8
179.07152	0.6
181.05019	0.9
189.05469	1.8
207.06528	2.1
251.93839	0.6
273.02896	1.0
273.07532	4.0
291.08633	9.6
329.82181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
55.01869	3.0
55.05521	0.5
61.53574	0.4
65.03953	1.2
66.91916	0.5
67.05505	1.9
68.99788	2.2
69.03429	1.9
69.07043	0.5
69.14085	0.5
70.06591	0.6
70.93134	0.8
70.93446	0.6
74.73486	0.4
77.03923	1.0
79.05502	3.4
79.42839	0.4
80.32473	0.4
81.03425	2.0
81.07050	2.4
84.08131	0.7
85.02894	1.5
89.03928	2.9
91.05482	4.8
93.03404	1.7
93.07046	0.8
95.01346	0.8
95.04974	4.7
95.08572	0.6
97.02885	0.7
97.18952	0.4
100.11260	0.7
105.03391	1.5
105.07029	1.0
107.04967	6.0
109.02894	1.3
111.04462	2.6
115.05486	1.4
117.03389	2.3
119.04948	8.4
119.08663	0.6
121.02839	0.7
122.03661	0.6
123.04430	65.8
124.04748	0.7
127.03919	2.0
129.06963	0.7
131.04942	2.6
131.08612	0.7
133.06511	1.5
135.03386	1.1
135.04422	16.9
137.02347	32.0
137.03346	1.3
137.05994	5.4
137.06993	0.8
139.03911	4.1
141.01852	0.8
141.05492	0.5
143.04889	2.6
145.02846	4.1
145.04858	0.4
145.06496	0.9
147.04411	24.1
149.05956	1.2
151.03915	1.4
151.07544	0.8
153.01836	1.1
157.06516	0.8
159.04427	1.3
161.02356	0.6
161.04633	0.7
161.05974	9.8
161.07251	0.7
163.03911	36.4
165.01843	1.8
165.05486	14.0
171.04504	1.1
173.06013	0.7
175.03926	1.5
175.07578	0.8
177.01897	0.8
177.05496	2.5
179.03456	2.9
179.07069	3.5
182.15329	0.6
183.02946	3.1
185.06013	1.6
187.03946	3.1
187.07518	0.8
189.01852	0.6
189.05511	3.2
191.03398	100.0
192.03900	1.7
195.02905	0.7
197.05966	1.0
197.65617	0.5
199.04012	0.6
201.05557	1.1
203.03397	7.5
203.06999	1.1
205.04974	3.6
205.08582	1.4
207.02988	2.5
207.06531	8.6
213.05489	2.2
215.03468	0.8
215.07036	0.6
217.05017	0.9
221.04472	4.5
228.13029	0.5
229.05032	0.5
231.06509	1.0
233.04454	2.5
241.04901	1.8
243.06470	0.6
247.06020	2.4
247.09750	0.8
249.07635	1.2
253.05122	0.5
255.06487	0.6
259.06061	6.6
271.06039	5.8
271.08936	0.8
273.07678	0.7
283.06033	1.1
289.07114	1.2
291.08835	0.8
291.11923	6.2
297.07758	0.5
301.07071	18.4
313.03586	0.8
313.07092	15.4
317.06616	5.9
317.10217	0.8
317.20871	0.5
325.06934	1.8
343.08127	37.4
375.08389	0.6
393.09171	1.0
411.10812	8.3
435.10709	3.1
453.11682	1.1
453.17542	3.9
453.34372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.1
51.05572	1.0
53.03945	2.1
55.01875	4.3
55.05523	5.0
57.03443	1.1
57.07072	1.2
67.05514	4.7
68.99795	2.0
69.03433	2.0
69.07079	2.4
69.41962	1.0
70.06590	1.4
71.59670	1.9
79.05499	4.3
81.03430	4.0
81.07064	4.3
83.04996	2.1
83.08621	2.7
85.02924	2.1
89.03930	1.7
91.05489	6.2
93.03405	5.9
93.07048	2.9
95.04964	5.7
95.08572	2.3
97.06534	1.6
97.10163	3.1
100.07637	1.2
100.11263	12.4
100.67994	1.0
105.03387	1.2
105.07030	2.9
107.01339	1.1
107.04942	6.0
107.08607	1.6
109.02911	2.3
109.06516	1.4
109.10142	2.1
111.04462	3.7
112.07615	2.0
115.05472	1.4
117.03394	1.7
119.04955	8.7
119.08582	1.8
121.02916	1.2
121.10146	2.1
123.04433	80.1
123.11672	1.2
127.03919	2.4
128.07101	1.8
131.04942	2.2
133.06519	1.8
133.10191	1.7
135.04419	16.6
137.02350	64.6
137.03334	3.1
137.06013	2.9
139.03946	3.6
143.04955	3.3
143.10674	1.9
145.02847	2.7
145.06490	1.2
145.10141	1.2
147.04417	25.3
147.11731	2.0
149.06139	1.4
151.03874	2.0
153.01828	3.1
157.10085	1.3
159.04486	1.4
161.05997	11.1
163.03908	39.8
165.01862	3.6
165.05479	14.4
169.03256	0.9
171.04465	2.1
173.06053	1.4
175.03923	1.7
175.07549	1.3
177.01837	2.7
177.05515	1.4
179.03407	6.4
179.07033	3.7
182.15413	5.8
183.02948	6.7
187.03920	3.8
189.05501	4.4
191.03398	100.0
195.02907	1.8
199.03941	1.2
203.03429	4.0
205.05028	3.7
207.02989	2.9
207.06519	10.1
209.04440	2.6
209.16486	3.1
210.14812	7.0
213.05452	2.5
213.17752	1.5
215.07109	1.3
217.05013	1.7
221.04472	2.8
225.05447	1.6
227.17665	1.5
229.04918	1.4
231.06532	1.5
233.04404	1.4
241.05038	2.7
247.06018	3.1
259.06076	12.0
271.06030	13.4
275.88843	1.0
276.72818	1.3
289.07367	1.1
301.07062	45.1
302.07498	1.6
313.07071	34.8
317.06589	15.5
325.07156	2.9
325.42938	1.0
343.08124	19.1
343.30316	1.3
346.15283	1.1
389.81143	1.6
393.09784	2.3
400.16440	2.0
411.10754	12.9
435.10742	4.0
444.33826	1.4
453.11612	2.3
453.21637	3.1
453.34439	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	453.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.03935	1.8
55.01857	3.2
55.05505	1.2
65.03929	1.5
67.05486	3.0
68.99788	1.6
69.03424	1.4
69.07068	1.0
71.59677	1.2
76.25996	0.7
79.05487	4.2
81.03413	3.6
81.07045	2.4
83.08608	0.8
85.02880	1.2
89.03922	2.6
91.05491	6.5
93.03403	3.8
93.07062	1.2
95.01305	1.0
95.04964	5.1
95.08621	1.2
96.70267	0.6
97.02879	2.4
97.06532	0.8
100.11260	1.3
103.05461	0.8
105.07034	2.5
107.04957	6.2
107.08586	1.1
109.02884	1.6
109.10138	2.4
111.04438	2.3
115.05432	1.1
117.03411	1.6
117.06952	1.0
119.04931	7.4
119.08591	1.2
121.02871	1.9
121.06484	0.9
121.10149	1.1
123.04427	64.3
123.11721	1.1
127.03909	2.3
131.04880	1.2
133.06505	1.5
133.10130	0.9
135.04420	15.5
137.02338	51.5
137.05991	2.8
139.03893	4.7
143.04903	3.1
145.02815	2.3
145.06451	0.8
145.10152	1.1
147.04413	23.0
147.08023	0.8
147.11626	0.7
149.05974	0.8
149.09724	1.0
151.03912	1.2
151.07564	1.0
151.11113	0.7
153.01790	1.2
153.05368	0.9
159.04442	1.1
161.05968	9.1
163.03903	33.5
165.01758	1.7
165.05469	10.9
171.04401	2.4
173.05994	1.8
175.03893	1.5
175.07478	0.9
177.05450	2.1
179.03427	4.0
179.07080	4.4
181.01476	0.7
183.02898	2.4
185.04327	0.7
185.05969	1.7
187.03960	4.0
187.07491	0.7
189.05487	3.2
191.03392	100.0
192.03712	1.4
199.03920	1.6
203.03406	7.2
203.07063	1.3
205.04950	2.8
205.08598	1.3
207.02899	2.6
207.06535	10.5
207.08380	1.2
209.04448	0.9
213.05424	3.0
215.07047	1.0
217.04916	1.9
221.04431	3.7
233.04459	2.3
241.04904	3.1
247.06020	1.8
249.07423	1.0
257.04318	1.0
259.06000	7.2
271.05988	6.0
273.07581	1.3
273.18759	0.7
283.05890	0.9
289.07004	1.7
291.12030	17.8
291.15308	1.8
301.07053	34.8
313.07028	15.2
317.06613	5.5
325.06964	1.7
343.08124	39.4
344.08411	1.0
386.29932	0.8
393.09750	2.7
411.10770	10.4
435.10733	2.9
453.11655	2.7
453.17419	7.5
453.34171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72291	0.7
53.03925	0.8
54.83583	0.6
55.01855	2.8
55.05505	4.6
60.37536	0.8
60.39428	0.6
63.07291	0.7
64.40643	0.7
65.03925	0.8
67.05497	1.9
68.99783	1.9
69.03413	1.9
70.73302	2.1
79.05490	3.7
81.03403	3.1
83.04972	1.5
83.08640	4.3
83.09029	0.8
83.79173	0.7
85.02890	1.9
85.06549	1.4
89.03901	1.7
91.05470	4.5
93.03385	2.7
93.07056	1.0
95.04974	5.2
95.08590	1.6
97.02851	1.0
100.07601	1.3
100.11256	20.3
103.05444	1.5
105.03367	1.4
105.07016	1.6
107.04954	6.6
109.02870	2.0
109.10125	1.2
110.06021	0.9
111.04435	6.2
115.05444	2.0
117.03339	2.2
117.07030	0.7
119.04924	8.5
121.02868	1.1
122.03627	2.1
123.04425	67.0
127.03868	1.0
128.07060	1.7
129.06978	1.6
130.74678	0.8
131.04936	3.2
133.06497	1.4
133.10091	0.7
135.04413	16.3
137.02338	38.7
137.05006	1.3
137.05969	19.4
139.03912	5.7
139.08670	1.1
140.62543	0.8
141.01781	0.8
143.04924	2.8
144.05676	0.8
145.02840	3.6
145.06445	0.8
147.03218	1.2
147.04404	23.7
149.05988	1.6
151.03935	1.7
151.07547	2.5
153.01831	1.3
153.03644	0.8
157.06451	0.7
159.04436	1.6
159.08160	0.8
161.05980	10.4
163.03902	38.4
163.07533	0.9
165.01840	1.6
165.04144	1.1
165.05472	13.1
169.06456	1.5
171.04416	1.4
173.05992	2.0
175.03889	1.5
175.07555	2.6
177.05482	2.4
179.03427	3.3
179.06982	3.8
182.15375	7.2
183.02904	2.0
185.05945	1.4
187.03929	2.6
187.07536	1.5
189.05460	2.8
189.09111	1.4
191.03392	100.0
192.03717	2.1
195.02838	0.9
197.05986	1.0
199.03900	1.2
201.09058	0.8
203.03406	6.7
203.06961	1.3
205.04912	3.4
207.02907	3.1
207.06540	8.3
209.04285	0.8
209.16515	5.9
210.14861	6.2
213.05479	2.1
213.09067	0.8
215.03392	0.8
217.04976	1.6
217.08632	0.8
221.04398	5.8
223.07570	0.7
226.19154	2.0
229.04890	1.2
233.04527	2.5
241.04935	2.0
245.07954	1.1
247.06038	1.5
247.09712	1.3
249.04070	0.8
255.06625	0.7
259.05994	7.7
271.05975	5.6
271.08652	0.7
271.09848	0.6
273.07794	0.8
289.07080	1.0
301.07080	22.9
313.07074	14.2
317.06616	6.9
325.06964	2.5
336.22720	0.9
343.08118	34.5
393.09631	2.0
411.10587	6.9
419.14313	0.9
435.10794	2.6
435.33276	7.8
453.11783	2.3
453.18304	1.4
453.27893	1.1
453.34338	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	453.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01872	2.9
68.99786	1.6
69.03410	1.0
70.48556	2.5
77.20535	0.8
79.05522	2.1
81.03419	2.2
81.07064	0.9
89.03947	1.1
91.05482	2.8
93.03418	3.4
94.05740	1.0
95.04961	4.0
107.01338	1.0
107.04967	4.8
109.02872	1.7
111.04434	1.7
115.05441	1.5
117.03414	3.0
119.04929	7.5
121.02892	1.3
123.04429	65.1
127.03898	0.8
131.04898	1.7
133.06488	1.3
135.04410	13.2
137.02350	43.2
137.03355	2.0
137.05962	1.7
139.03938	1.9
141.01823	1.1
143.04955	2.6
145.02832	2.0
147.04420	22.7
149.06027	1.7
151.07587	0.9
153.01814	2.1
153.05527	0.9
161.05971	7.5
163.02541	2.0
163.03911	36.9
165.01877	4.3
165.05499	15.0
171.04379	1.6
173.06032	1.0
177.01842	1.4
177.05528	2.5
179.03435	2.9
179.07045	3.6
183.02991	3.0
185.06050	1.0
187.03920	2.1
189.05431	2.8
191.03401	100.0
192.03868	1.6
195.02972	1.3
199.03760	1.4
203.03464	5.8
205.04942	2.3
205.08647	0.9
207.02969	2.8
207.06520	9.3
213.05495	2.7
221.04521	3.3
229.04848	1.1
233.04472	2.7
241.05034	1.1
245.54094	0.9
247.06036	1.6
259.05975	8.1
271.06027	9.5
283.05942	1.3
289.07196	1.2
299.05490	1.0
301.07086	34.6
310.59647	0.9
311.47617	0.9
313.07047	26.1
317.06610	11.4
325.07144	2.6
335.46451	1.0
343.08133	27.8
343.12384	1.4
344.08514	0.9
411.10620	12.1
435.10764	2.6
453.11713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01862	0.6
55.05491	1.3
56.96557	0.9
57.03438	0.5
62.16954	0.3
65.03915	0.4
67.05479	1.4
68.05015	0.7
69.03422	2.3
69.07059	0.6
70.06580	0.7
71.04980	1.2
71.10106	0.8
73.02923	0.5
73.47945	0.4
79.05467	1.0
80.05014	1.3
81.03416	7.1
81.07050	2.0
83.04980	0.5
85.02897	4.0
86.09650	0.5
87.00797	0.6
91.05474	4.2
92.01434	0.4
93.07059	1.7
95.01320	3.2
95.04958	1.4
95.08585	0.3
95.61769	0.3
97.02885	3.9
97.06514	0.6
99.04461	1.7
105.01836	0.8
105.07044	0.6
107.04926	0.7
107.08595	1.6
108.04476	4.2
109.02879	3.5
109.06495	0.6
109.10136	0.8
110.06049	0.9
111.04429	0.5
119.04948	2.3
121.10046	0.3
123.04418	4.2
123.08064	0.3
123.11697	0.7
124.03917	0.4
126.05519	1.5
127.03921	3.0
133.10117	1.0
135.04430	1.0
136.03931	100.0
137.04375	1.7
137.05960	10.0
139.03885	1.7
145.04941	0.8
147.04414	0.7
151.11139	0.6
154.04980	35.4
155.05286	0.4
158.19128	0.4
163.03903	1.4
165.05486	0.3
165.32561	0.4
175.03880	0.4
191.03426	0.5
197.01215	0.9
209.01387	0.3
229.05055	0.4
239.41234	0.3
245.04456	0.6
247.06076	0.7
255.01730	0.4
257.04364	0.4
264.66656	0.3
280.08145	16.0
281.08661	0.7
298.09189	15.0
299.09744	0.4
301.03867	0.8
301.07050	0.6
310.04236	0.6
375.04471	0.4
452.15280	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	451.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01869	4.8
55.05510	18.9
57.03436	3.7
57.07078	3.5
61.02929	2.6
65.03943	3.6
67.05513	19.8
69.03426	5.6
69.07085	8.8
71.04985	3.0
75.85615	1.8
79.05495	23.3
81.03427	8.7
81.07055	26.5
83.04981	6.6
83.08617	7.1
85.02911	3.9
91.03971	2.0
91.05475	44.1
91.06010	2.9
93.07039	22.2
95.01346	3.5
95.04950	7.7
95.08605	19.2
97.02876	3.2
97.06535	3.4
97.10184	6.2
99.04478	1.8
105.07030	51.6
107.04955	6.4
107.08570	15.1
109.02823	2.4
109.06533	5.2
109.10160	7.8
111.04465	8.9
113.02380	2.0
115.05433	3.2
117.06981	8.9
119.08581	34.6
121.06535	3.7
121.10147	8.4
122.12666	1.8
123.08097	4.7
123.11742	2.8
125.09621	3.6
127.03935	3.8
129.07002	3.8
131.08557	19.7
133.06531	2.1
133.09137	2.2
133.10130	39.2
135.04457	2.2
135.08069	6.1
135.11696	5.7
136.64891	1.8
137.05980	6.0
137.09593	2.1
142.07834	2.5
143.08583	5.4
145.10118	17.3
147.08069	2.4
147.11699	18.2
149.09566	4.7
149.13243	1.8
151.03897	2.4
157.10103	4.3
159.11676	11.9
161.09526	2.3
161.13278	4.5
163.03848	3.6
163.07582	1.9
163.11238	4.5
167.07141	2.4
169.10204	3.4
171.11687	7.1
173.09586	4.3
173.13237	4.5
183.11749	2.4
187.11145	2.5
189.12642	2.6
191.14311	8.2
201.02303	2.0
201.12663	2.7
211.14908	2.6
225.07620	2.9
239.18082	2.1
257.19159	6.0
261.18561	2.3
272.08975	1.7
275.20062	100.0
276.20618	5.2
309.13412	3.0
341.21222	2.0
359.22214	5.3
359.26270	2.7
415.21091	3.3
433.22220	10.8
451.22968	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	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01873	3.1
55.05510	19.0
57.03053	1.8
57.03427	5.2
57.07052	4.0
61.02946	2.0
65.03952	3.4
67.05509	22.7
69.03425	6.0
69.07075	14.5
69.90628	11.1
71.01356	2.2
71.04986	4.7
75.81943	1.9
79.05495	23.3
81.03420	7.0
81.07057	27.7
83.04970	7.9
83.08619	6.2
85.02919	4.4
85.06530	3.1
91.05486	44.5
93.07053	15.8
95.01327	4.0
95.04971	10.4
95.08604	19.0
97.02867	3.1
97.06542	6.3
97.10168	7.3
101.77235	2.0
103.05472	2.0
105.07034	55.6
107.04937	2.3
107.08613	14.0
109.02901	2.9
109.06529	5.3
109.10166	9.4
111.04449	7.4
117.07052	12.7
119.08586	35.8
119.09368	3.7
121.06523	2.1
121.10162	9.0
123.04435	4.6
123.08071	3.1
123.11710	4.4
124.45205	2.3
125.09631	2.4
127.03920	5.3
129.06953	3.1
131.08551	19.8
132.09285	2.1
133.10139	40.4
135.04439	4.5
135.08116	3.1
135.11723	5.5
135.36250	2.4
137.05998	7.9
139.03944	2.7
141.06941	3.8
143.08562	6.5
145.10144	20.3
147.04356	2.3
147.08040	4.3
147.11679	18.7
149.09634	3.9
149.13278	2.9
151.11185	2.5
153.94286	2.0
157.10135	5.8
159.08015	3.7
159.11716	12.6
161.13298	5.8
163.03937	3.5
163.11145	4.7
169.10255	2.7
171.11679	4.1
173.13278	7.8
183.11757	3.0
185.13164	2.4
191.14287	10.3
207.13812	3.4
239.17941	2.8
257.19025	6.4
274.20026	2.3
275.20078	100.0
276.20709	3.1
359.21912	3.1
379.19241	2.8
389.23126	2.4
433.22330	7.7
451.23227	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	451.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01872	22.9
55.05512	30.6
55.65820	5.9
57.03427	22.5
67.05502	79.8
69.03452	10.8
69.07072	26.6
69.65796	8.6
69.66196	33.8
71.04990	16.3
79.05497	56.7
81.03433	14.4
81.07053	76.5
81.33001	5.2
83.04988	26.1
83.08624	12.4
85.02913	10.7
91.05481	91.4
93.07062	45.2
95.01323	34.4
95.04967	22.5
95.08621	60.7
97.02931	7.7
97.06552	15.4
97.10141	10.6
98.14232	5.6
105.03465	8.2
105.07030	100.0
105.07699	10.7
107.04941	13.2
107.08603	25.3
109.06518	11.1
109.10162	22.4
111.04477	7.6
113.02359	10.4
115.82284	5.8
117.07011	46.4
119.08570	49.0
121.06528	7.0
121.10138	25.2
123.04430	12.7
123.08079	6.0
125.06053	6.1
128.06226	8.0
129.07011	29.8
131.04926	7.0
131.08578	43.1
133.06496	10.3
133.10135	75.4
135.04404	8.7
135.08064	21.3
135.11716	13.3
137.06018	6.9
137.09602	28.9
139.11147	9.5
141.01837	9.8
141.07002	21.3
142.07693	6.6
143.08562	19.9
145.06473	12.8
145.10118	27.4
147.11681	13.2
147.18523	6.6
149.09624	24.3
154.07828	7.8
155.08577	19.4
157.10120	18.7
159.11736	33.5
161.06024	6.9
161.09610	12.4
163.11220	5.7
169.10187	15.5
171.08080	6.5
171.11694	18.0
173.13258	17.4
175.01653	15.2
175.07578	6.1
175.11115	8.4
179.08531	7.3
181.10159	13.6
183.11755	21.5
185.09618	10.0
187.11234	16.2
189.12735	6.3
191.10721	8.3
197.09566	5.6
197.13235	15.6
201.09395	5.5
203.07076	6.1
203.10745	11.0
209.09734	7.8
215.10626	7.5
239.18016	40.0
255.10136	6.7
257.19095	19.2
271.09946	7.4
275.20081	37.8
285.18613	7.3
286.68585	6.9
297.13263	7.9
299.16595	7.0
303.19479	8.3
325.12787	13.8
331.12943	7.2
341.20908	8.2
351.19583	6.5
353.21246	9.1
367.17896	7.3
369.20590	17.1
371.22305	8.5
379.19250	10.0
387.21768	28.1
389.23563	6.5
395.09467	5.9
397.20111	25.7
405.22510	46.3
415.21130	32.5
433.16605	6.8
433.22180	35.6
451.22672	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66527	0.7
50.79090	0.7
53.03931	1.6
55.01850	0.9
55.05506	1.3
56.96527	3.1
57.03420	1.7
59.04967	3.0
60.83897	0.7
61.02921	6.2
68.05004	1.3
68.56414	0.7
69.03424	10.8
70.06550	3.2
71.01333	0.9
71.04984	4.9
71.23125	1.2
73.02907	1.9
76.02184	0.8
79.05465	2.0
81.03383	3.4
81.04538	6.6
81.07063	9.6
82.05288	2.9
83.04983	0.7
83.06055	2.1
84.04443	1.0
85.02904	11.5
87.04432	1.6
87.08080	0.9
91.03934	0.9
91.05438	2.3
95.06090	16.0
97.02894	7.0
99.04431	1.2
99.69978	0.8
107.04944	1.0
107.06049	0.9
109.02837	1.9
111.05561	45.9
113.09611	1.0
113.44893	0.8
114.05470	0.9
116.07059	2.5
117.03233	0.9
117.48795	0.9
119.04939	4.7
121.07619	0.8
123.04472	2.2
123.05546	33.6
125.07080	3.0
127.03877	2.6
134.06137	0.9
134.99637	1.3
135.04396	2.0
136.07567	11.5
139.03867	2.5
141.06583	64.1
142.06889	1.2
147.04321	1.7
156.04648	0.9
161.01224	0.9
162.05487	0.9
163.03923	2.8
163.12320	5.3
191.11734	1.8
193.13501	0.9
202.05276	2.4
204.75821	0.8
209.12799	6.3
219.07986	3.1
221.12859	14.2
221.14813	0.7
223.14471	1.8
227.07191	0.8
233.09180	0.7
239.13916	23.3
240.14334	1.1
241.15439	13.8
243.01620	1.1
253.15518	3.1
255.17041	2.3
271.16516	100.0
272.16809	3.7
289.17578	27.9
290.10147	1.1
290.17899	1.0
320.20932	0.7
344.07053	0.9
433.21799	21.1
451.18143	0.9
451.22894	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44458	0.3
53.03934	0.6
55.01859	0.8
56.96551	0.7
57.03412	0.5
60.05622	0.3
61.02921	0.5
67.05483	0.4
67.47472	0.3
68.99772	0.4
69.03432	2.7
71.04984	0.4
78.04712	1.5
79.05486	0.5
81.03407	3.0
85.02898	6.3
87.00835	2.0
89.61219	0.3
91.03899	0.5
93.03379	0.4
95.04961	0.7
96.08664	0.3
97.02885	2.7
98.97565	0.3
99.04457	1.5
105.01873	1.6
106.04172	0.9
107.04992	0.5
108.04492	1.9
109.02873	2.5
111.04425	0.8
117.01846	0.4
117.03426	0.4
121.06461	0.4
122.02404	0.5
123.03562	0.5
123.04424	7.4
124.05202	1.1
126.05482	0.8
127.03910	3.4
135.04390	1.4
136.03905	0.4
137.02357	0.3
137.06036	0.3
138.05437	0.3
139.03870	1.3
145.02791	0.6
145.04926	1.0
146.05936	0.3
147.04350	0.7
149.02299	0.3
151.03900	1.5
152.04668	1.7
153.05504	0.3
155.06975	0.5
158.75656	0.3
159.02885	0.9
163.03886	3.3
165.05313	0.3
167.07027	100.0
168.07364	1.7
182.07935	0.4
184.99069	0.6
222.46785	0.3
230.06613	0.4
231.04941	0.5
232.00777	0.3
234.96858	0.4
247.09723	0.3
248.07692	1.0
252.97908	1.0
260.12195	0.5
261.12582	0.6
450.09378	0.4
450.19788	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66397	5.5
57.45309	5.4
61.26665	6.1
67.05497	12.5
67.26456	5.7
69.03419	17.2
69.17873	6.2
69.51093	46.8
72.70879	6.1
79.05499	8.6
81.03442	10.3
81.07051	6.5
84.04477	7.9
85.02430	7.8
85.02900	91.6
95.04926	9.4
97.02886	40.0
105.07043	9.3
107.04932	7.0
108.08119	7.5
109.02886	15.3
109.69218	5.6
111.04504	6.8
113.03462	12.6
120.08070	15.4
122.06060	6.8
123.04447	35.2
124.07549	11.1
126.05517	10.4
127.03912	27.1
135.04417	26.4
136.07587	12.7
137.02359	12.7
137.05986	9.4
137.47005	7.4
139.03857	15.6
140.07068	85.6
141.95567	6.7
145.04936	32.4
150.09143	28.5
152.07091	12.4
163.03917	16.5
163.06003	16.1
164.07071	23.2
173.05814	6.9
178.08623	15.5
182.08127	100.0
206.08121	50.9
248.09102	9.8
254.59061	7.5
302.12329	11.5
309.75192	6.1
314.98141	8.2
451.21103	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	449.3626
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
53.03918	0.8
55.05510	2.9
57.07055	0.8
60.87532	0.5
67.05180	0.5
67.05504	6.5
69.07078	3.1
71.08630	0.8
79.05479	1.6
81.07056	5.9
83.04975	0.6
83.08609	1.9
91.05473	0.6
93.07031	2.9
95.04990	1.0
95.08609	11.9
97.10164	1.3
98.20725	1.1
105.07043	2.4
107.08578	1.4
108.05715	0.7
108.44685	0.5
109.10155	3.1
111.11717	0.9
121.10104	1.1
121.12070	0.4
123.08067	11.0
123.11696	1.8
134.32800	0.4
135.08035	1.3
135.11691	1.2
149.13219	0.7
151.07538	100.0
151.14777	0.7
152.07877	3.5
161.09534	0.7
165.09068	0.9
167.03441	1.2
175.11122	1.1
177.09074	0.7
189.12784	1.1
191.10674	1.3
205.12251	0.7
229.21619	0.5
237.24294	0.5
241.83086	0.5
275.27295	0.6
413.33722	0.5
431.35040	0.5
449.35904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80361	6.5
55.01870	15.4
55.05515	100.0
57.03428	17.0
57.07054	7.6
67.05506	88.1
69.07062	28.2
71.08651	7.4
71.59837	10.8
79.05498	89.8
81.07063	88.1
83.04980	10.2
83.08619	58.0
91.05492	47.4
93.07039	62.3
95.04956	17.5
95.08624	37.5
95.85052	7.7
97.06538	13.9
97.10168	98.0
105.07042	34.7
107.04948	14.1
107.08594	79.3
109.10144	14.2
111.08099	8.2
113.68300	6.8
117.07030	23.6
119.08546	16.3
121.06507	14.1
121.10137	10.6
123.11754	9.6
125.09629	81.6
129.07024	14.2
131.08548	29.0
133.06488	12.8
133.10097	18.3
135.08063	28.3
135.11703	12.7
143.08641	14.3
145.06480	29.1
145.10133	22.0
153.09099	21.3
157.12294	8.0
159.08104	9.9
159.11681	14.4
171.11618	8.2
173.13237	10.3
187.14754	10.6
197.13235	9.7
203.12787	35.5
233.15318	21.4
273.14804	10.1
309.74530	9.7
310.18097	7.8
337.27161	9.4
339.23279	16.0
349.21628	27.7
357.24115	11.9
367.22638	55.8
382.63892	7.7
385.23807	39.3
399.24939	12.4
417.26343	65.4
431.27637	9.6
449.28827	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
61.02935	2.5
64.90829	1.8
67.05499	5.1
69.03431	4.4
69.07059	4.7
70.08510	3.5
70.08904	5.5
71.02579	2.0
76.04586	1.7
79.05482	6.9
79.66467	2.1
81.03419	4.6
81.07049	4.2
82.06572	2.9
84.08168	2.2
85.02908	7.3
86.09713	3.1
86.12849	2.0
91.05479	16.8
93.07031	2.9
94.06586	9.6
95.04940	3.7
97.02881	5.9
97.06547	2.9
98.97600	2.4
99.04446	2.6
103.05418	2.7
104.11807	2.4
106.06582	2.6
108.08217	2.3
109.02901	2.9
112.03934	6.3
116.04986	8.5
117.05768	6.1
118.06541	33.9
119.04805	2.0
119.07317	8.0
120.08110	28.3
122.06042	17.0
123.04402	2.3
124.07594	12.4
127.03957	3.6
134.06018	5.6
136.07536	2.5
138.05515	2.2
140.07065	38.6
140.08089	2.8
142.08633	11.7
146.06004	80.0
147.06764	14.8
148.06377	4.5
148.07567	79.1
152.07101	4.0
154.08618	15.0
154.74768	2.1
164.07071	62.8
166.08640	2.8
177.05511	2.9
180.10246	3.2
186.02182	3.1
186.09097	2.8
199.74950	2.3
206.08159	2.2
210.79602	1.9
214.12259	3.9
216.13898	2.6
224.10738	2.3
242.11784	24.8
243.14935	26.9
259.14493	2.7
261.15906	3.5
269.12845	17.4
270.11212	28.2
287.13901	100.0
290.10269	7.3
305.11749	3.3
305.14990	39.2
308.11353	13.3
405.17300	2.8
431.18323	2.5
449.18799	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	449.1079
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
53.35822	1.2
55.01857	1.8
68.99762	1.3
69.36911	3.6
69.37313	10.9
79.01854	4.5
81.03400	1.7
85.02919	3.0
109.02848	1.5
123.66305	1.6
135.04443	2.4
137.02350	18.3
137.03345	2.1
147.85429	1.5
161.02359	4.0
163.03923	2.3
165.01810	2.8
167.03568	1.2
178.29120	1.4
179.03294	2.3
183.02892	1.9
191.03410	1.9
217.04935	5.5
229.04994	3.5
254.05757	1.4
259.06064	3.7
261.04001	4.0
271.05984	7.3
272.06729	10.7
287.05429	3.1
295.06232	2.5
299.05496	79.0
300.06271	40.1
301.06964	4.2
311.05548	17.1
313.07062	20.1
324.06360	3.3
324.25223	1.3
325.07089	5.0
327.05139	2.5
329.06552	100.0
330.06937	2.8
339.04974	3.1
339.08606	20.2
341.06531	6.3
343.08249	2.0
353.06595	20.1
354.06967	1.9
359.07779	7.8
359.11691	1.6
365.06552	1.5
367.08234	5.8
383.07614	21.7
384.08112	1.6
395.07602	13.7
413.08655	32.4
431.09753	44.9
432.10086	2.5
449.10837	54.4
450.11301	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	449.1079
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
55.01881	0.1
60.29828	0.1
62.17205	0.1
67.01852	0.6
67.05488	0.3
68.99802	0.4
69.03399	0.1
69.78820	0.9
79.05470	0.2
81.03380	0.1
81.07048	0.3
89.03928	0.2
93.07043	0.2
95.04983	0.2
95.08573	0.2
97.02849	0.3
97.06490	0.2
98.20839	0.3
103.05452	0.2
105.07018	0.3
107.04939	0.8
107.08555	0.2
109.02859	0.1
109.10123	0.2
111.04449	0.1
117.03374	0.3
119.08589	0.2
123.04426	1.3
129.01857	0.2
131.08597	0.2
135.04404	2.2
137.02304	0.6
153.01828	5.5
160.69173	0.1
161.02341	0.5
161.05940	0.1
171.02884	0.8
174.26318	0.1
179.03424	0.3
185.06079	0.2
241.04984	0.6
245.04413	0.2
258.36996	0.1
269.04419	0.5
270.05072	0.1
287.05493	100.0
288.05807	3.5
348.94992	0.2
355.24069	0.2
449.10815	0.2
449.19443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.05483	0.1
56.68445	0.1
67.01858	0.5
67.05482	0.1
68.50819	0.1
68.99789	0.5
69.03431	0.1
69.59074	0.3
69.59502	0.4
79.05498	0.2
81.03424	0.2
81.07032	0.1
85.02908	0.1
89.03923	0.2
95.04976	0.1
95.08669	0.1
98.63944	0.1
107.04972	0.2
109.02962	0.1
111.00819	0.2
111.04449	0.1
117.03376	0.3
123.04429	2.1
129.01785	0.1
135.04424	2.1
137.02332	0.5
137.05988	0.1
153.01828	5.8
161.02267	0.5
171.02904	0.7
171.04160	0.1
179.03429	0.4
184.95079	0.1
185.05959	0.1
199.04013	0.1
213.05434	0.2
219.06419	0.1
221.04472	0.2
241.04959	0.7
243.29538	0.1
257.04327	0.1
263.05481	0.1
269.04456	0.6
269.72610	0.1
287.05496	100.0
288.05835	3.9
297.03918	0.3
449.10742	1.2
449.16965	0.1
450.10495	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	448.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01858	4.5
55.05502	7.1
56.05031	22.7
57.03421	4.9
58.06597	12.3
60.04499	2.2
61.02911	5.2
67.05516	9.9
69.03134	1.7
69.03431	22.0
69.07064	8.2
70.06566	6.4
71.04989	4.2
71.58066	2.5
72.08138	2.4
73.02908	4.6
74.06077	4.7
79.05474	5.6
81.03400	7.6
81.07066	9.7
82.06543	2.1
83.04974	5.6
84.04490	5.9
84.08140	3.6
85.02901	34.1
85.06532	2.3
86.06051	7.1
86.09671	2.4
87.04459	5.3
87.85096	1.8
91.05479	7.6
93.07032	11.6
94.06544	4.5
95.04951	4.6
95.08604	13.5
96.04471	3.0
96.08143	3.6
97.02885	13.9
97.06535	6.4
98.06036	7.0
98.09674	3.2
98.97547	1.8
99.04455	8.0
100.07612	1.8
105.07022	12.5
107.04928	2.1
107.08577	22.2
108.08121	6.1
109.02855	4.1
109.06503	8.5
109.10152	10.9
110.06055	4.8
110.09663	2.9
110.57656	1.5
111.04413	2.4
111.08041	3.3
114.05526	10.3
116.07082	5.3
117.07021	3.6
118.06505	2.0
119.08575	14.2
120.08098	2.6
121.06475	2.3
121.10131	17.6
122.06024	4.3
122.09679	2.7
123.04424	2.0
123.08066	4.6
123.11683	3.1
124.07607	4.2
125.09631	2.7
126.05479	4.7
127.03904	6.9
131.08563	7.1
133.10127	17.9
134.09653	4.0
135.08017	8.9
135.11661	10.2
136.07541	2.6
136.11195	2.4
137.06000	6.7
137.09595	6.8
137.13260	1.9
139.03854	2.8
140.07025	2.8
145.04951	2.3
145.06438	1.8
145.10106	8.6
147.08057	5.4
147.11690	8.0
148.11163	3.4
149.02344	2.8
149.09612	7.8
149.13237	2.0
151.07515	6.4
151.11232	2.1
153.09096	1.8
154.05003	1.8
157.10092	2.7
159.11717	4.5
161.09653	3.9
162.12782	2.4
163.03838	2.6
163.11227	2.6
163.14799	3.0
164.07115	2.4
165.12816	3.5
169.05045	2.3
173.13252	6.6
174.10350	2.3
174.12708	2.0
175.11156	5.1
176.14272	2.8
177.12674	3.1
178.15910	2.1
186.07599	5.2
187.14636	2.0
189.12747	9.4
191.14323	7.1
194.11748	6.1
194.15472	3.2
204.08661	22.1
206.10201	2.1
206.15491	3.2
207.13785	5.0
214.15865	2.8
232.16954	12.8
233.15292	2.4
250.17989	46.2
251.16467	2.2
268.19070	42.7
286.07996	2.4
286.20151	19.0
287.05496	7.1
287.13800	2.0
412.23425	25.0
426.02908	2.8
430.24365	100.0
431.24820	4.2
448.25418	45.9
449.25558	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	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78212	0.9
56.05033	3.0
60.05640	1.5
67.05513	1.2
69.03415	1.0
70.06590	1.5
71.16935	2.3
72.08157	1.1
81.03407	1.4
83.04961	1.4
83.06093	2.3
84.04528	1.4
85.02900	1.8
91.05480	1.8
93.03403	1.0
93.05447	0.8
95.04992	1.8
97.02843	1.1
102.93604	0.9
105.03391	3.7
106.06543	1.2
110.06090	1.1
111.04459	1.5
111.04855	1.0
111.05547	7.7
113.07119	1.0
120.04470	17.3
120.08084	0.9
121.02852	0.8
122.06094	1.1
123.04382	1.3
123.05562	1.3
126.06627	12.3
127.07465	1.0
132.04453	28.7
132.08069	1.5
134.06033	10.8
135.04393	1.8
136.07547	1.2
137.04715	2.7
137.06071	0.8
139.03853	2.0
140.07130	1.0
140.08176	1.3
145.04016	0.9
146.06052	1.2
147.04446	1.1
148.07617	1.2
149.02330	1.5
151.06143	10.1
152.07016	0.9
154.08607	1.6
163.03944	4.2
164.07103	1.7
164.24600	0.7
165.09132	2.0
167.05666	1.0
168.08859	3.5
169.93005	0.8
182.08128	1.3
202.09744	17.0
203.03308	1.1
215.08194	1.3
216.11325	4.1
220.05975	1.1
225.03961	1.2
230.09238	13.8
231.12474	1.6
232.10861	6.5
238.07150	1.1
242.09232	5.5
257.10352	7.0
259.11911	100.0
260.12280	2.2
264.91577	0.9
277.12973	3.6
284.11423	3.6
287.13968	1.2
301.14032	12.3
302.12473	44.9
303.12814	1.0
319.15118	2.9
362.18494	1.2
406.17218	17.9
430.18256	1.6
431.16632	1.4
448.19409	94.7
449.19382	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	448.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94611	0.9
57.03420	1.4
60.04526	68.7
62.97498	0.8
69.03414	2.9
71.57574	1.7
72.19987	1.1
72.24713	1.0
73.02905	1.1
74.06065	1.2
74.74420	0.9
85.02902	8.9
85.98594	1.1
88.04001	12.6
91.73216	0.9
97.02888	3.2
98.97574	1.2
99.04459	1.4
106.05029	100.0
109.02929	1.1
116.07125	1.7
116.98627	1.4
123.04465	1.4
125.91251	1.0
126.06664	1.0
127.03957	5.6
132.04530	1.3
136.28618	1.1
145.04953	5.2
151.06123	1.3
158.99638	1.1
163.03874	1.7
163.05972	1.3
180.69768	1.3
186.56320	1.0
189.00691	1.0
190.27066	1.1
219.01862	1.3
259.11917	5.1
290.96390	1.2
297.95868	1.2
302.12378	2.0
347.50278	1.2
448.19702	6.1
464.52872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19427	0.8
55.01863	0.8
57.03433	4.8
59.04992	2.0
61.02917	0.9
67.05501	0.8
68.66929	0.6
69.03079	1.3
69.03429	19.2
69.75206	1.5
69.75616	3.3
73.02964	0.7
81.03419	1.6
83.04967	0.9
85.02905	14.7
87.04464	9.8
96.04491	100.0
97.02892	12.1
97.04806	1.2
98.21429	1.0
99.04457	1.0
100.18768	0.7
115.03931	10.7
127.03929	1.6
133.04971	12.3
143.03406	0.7
145.04991	1.7
154.08626	60.1
155.09047	1.2
250.60535	0.8
316.13876	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	448.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.05502	2.5
56.05025	3.7
57.03426	10.1
58.99588	1.7
59.04996	1.0
60.04512	1.2
62.06082	1.9
65.03928	1.4
67.05467	1.7
67.29166	1.0
69.03410	3.5
69.07043	1.0
70.53574	1.2
70.53931	4.4
74.02406	1.7
76.03994	2.2
79.05473	2.7
79.36338	0.9
80.05017	6.2
81.03403	1.5
81.07028	1.6
82.02935	1.3
82.06556	2.3
82.99557	3.3
83.04967	1.1
83.06094	5.4
84.04502	44.7
84.08123	0.9
84.97481	2.2
85.01112	3.8
85.02877	4.3
86.00658	1.7
91.05485	1.6
93.07040	1.3
94.06548	3.0
95.04980	1.3
96.04492	12.3
96.08111	1.6
97.01122	5.5
97.02870	3.1
97.06550	1.1
99.02673	1.7
99.05556	2.2
100.02200	2.1
104.04947	3.0
105.05746	3.8
106.06536	3.3
107.06105	1.9
107.07325	4.1
107.08556	1.1
108.08096	1.4
109.06489	1.6
109.07650	5.7
110.06044	2.4
110.99041	1.9
111.02658	10.7
112.02177	2.5
113.00574	1.8
114.05552	1.3
116.01672	2.4
117.00050	2.9
119.08546	1.3
121.01107	1.0
122.06016	2.5
123.02665	6.4
123.04462	1.2
123.08086	1.0
124.02179	10.2
124.07575	1.3
125.00571	2.9
126.03733	1.7
126.05525	1.8
128.01611	1.9
129.06598	3.2
130.04993	6.7
132.04420	1.1
133.05183	2.4
134.06007	1.5
135.05621	1.4
136.02094	1.3
136.03841	1.3
136.07587	1.3
138.03719	31.1
138.05402	1.8
138.98489	3.2
139.02126	6.6
140.01649	1.8
140.05273	11.2
140.07033	1.8
141.00038	4.6
141.03668	1.9
142.03186	3.9
144.99538	2.4
145.06009	1.7
147.55035	0.9
150.03716	3.4
150.05602	1.3
151.02098	2.1
153.06575	4.3
154.08658	8.0
155.08122	4.4
156.04747	2.6
157.02141	1.0
157.03195	9.4
166.03220	96.6
167.01591	16.9
168.04790	19.9
168.28470	1.2
171.04674	1.5
173.02695	6.0
177.05429	2.0
181.06079	2.5
182.06348	4.0
182.72209	1.0
184.04259	9.2
192.06665	1.0
194.02704	14.7
195.01132	1.5
195.07739	1.8
196.04216	1.0
198.05850	12.8
199.04187	10.5
199.07135	2.3
208.04373	1.4
211.07079	1.2
212.03772	5.8
216.06856	8.8
223.05331	25.5
223.07195	5.9
237.08624	1.4
241.06345	6.3
245.05801	5.1
250.05315	10.3
250.18016	1.3
255.08249	1.2
257.07629	2.1
268.19098	3.0
269.05899	100.0
270.06052	2.0
278.04825	2.9
282.07983	1.6
283.07477	19.8
285.12457	1.2
286.12875	1.9
287.06888	11.2
295.07498	2.2
301.08524	70.7
302.08978	1.7
323.06702	1.7
327.10031	1.1
341.08145	7.2
353.08002	2.4
356.37344	1.1
373.10657	29.0
389.24683	1.0
399.08395	1.9
416.11047	2.1
430.24298	2.9
431.10950	1.9
448.13800	3.1
448.18991	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	447.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.1
54.18800	3.8
55.01878	6.8
55.05511	43.0
56.79427	4.6
57.03432	15.4
57.07046	6.2
64.32314	4.0
65.03943	5.0
67.05505	95.6
69.03423	8.0
69.07076	23.6
70.02838	9.1
70.03252	14.7
71.04993	6.2
75.58891	4.4
79.05495	90.5
81.03420	70.3
81.07052	70.7
83.04982	16.6
83.08613	32.7
85.06538	6.5
91.05461	75.0
93.07048	71.8
95.04969	59.1
95.08615	31.2
97.02906	5.0
97.06525	12.2
97.10178	21.6
98.21437	4.6
103.05445	5.2
105.07036	52.1
107.04956	25.5
107.08599	52.7
109.06517	14.5
109.10152	15.2
111.08063	10.9
112.99997	7.8
117.07025	24.8
119.08558	32.6
121.06535	19.3
121.10160	17.2
123.08099	6.3
125.09637	18.5
128.06229	6.3
129.07002	33.3
131.04948	8.8
131.08560	26.7
133.06483	15.8
133.10159	18.8
135.08078	12.9
135.11694	45.5
137.05927	10.2
137.09613	6.9
141.07004	8.4
142.07774	6.2
143.08592	17.3
145.06500	24.3
145.10103	25.5
147.07999	9.4
147.11650	8.8
149.02348	15.7
149.09593	14.2
151.07542	8.2
157.10138	17.8
159.08075	5.6
159.11646	10.0
161.09634	8.2
163.11177	20.1
169.10092	7.6
173.09650	6.1
173.13348	6.3
175.11156	10.7
181.10208	7.3
181.12180	5.1
183.11652	6.7
185.13187	11.9
187.11229	11.4
189.11214	16.0
193.12325	26.1
203.14366	9.8
205.12260	5.4
207.13878	4.6
223.13103	6.2
227.12611	5.3
249.14946	6.7
261.14981	5.4
309.21976	6.9
327.23328	5.0
329.21222	11.6
335.25858	5.1
337.21646	11.0
349.16885	14.3
355.22763	48.1
372.18326	4.9
373.23734	20.3
403.24744	12.4
411.25320	6.6
429.26331	31.1
432.46533	5.7
447.27435	100.0
469.14679	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	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55943	2.2
55.05512	13.6
57.03444	14.6
57.07075	4.3
67.05171	3.8
67.05504	42.8
69.07079	11.6
69.83687	16.6
73.70101	2.4
76.16156	2.3
79.05492	25.2
81.07055	50.1
83.08614	5.4
91.05472	9.6
93.07039	23.1
95.08612	39.6
97.10184	2.8
98.98481	5.9
105.07053	8.5
107.08579	17.7
107.09195	2.5
109.10134	16.9
113.00021	100.0
118.72514	2.3
119.08591	7.8
121.10151	15.3
123.11709	7.9
131.08578	8.8
133.10139	7.2
135.11699	9.8
136.99968	5.8
137.13251	4.1
145.10107	4.8
147.11688	4.8
149.13261	7.4
155.01097	4.3
159.11720	5.0
161.13223	4.6
169.02597	14.2
173.13350	3.7
187.02225	2.9
187.03740	8.4
196.57083	3.5
197.37657	2.3
243.21085	8.0
261.22144	17.0
317.25125	5.3
335.25784	83.7
336.26108	5.3
339.62186	2.5
447.25226	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.3
57.03442	8.5
57.07076	36.7
60.28014	1.5
61.65311	1.5
67.05493	6.9
69.07059	7.9
71.08631	19.8
79.05452	1.8
81.07060	11.9
83.08634	7.5
85.10188	10.4
89.06029	2.4
93.07046	1.9
95.08603	17.5
97.10162	3.8
109.10161	7.7
134.98189	100.0
137.13327	1.8
137.57632	1.4
149.02325	5.2
152.99265	1.9
176.00864	3.2
186.77252	1.4
196.42598	1.4
229.23462	1.6
239.23740	2.9
257.24664	1.5
278.84033	1.5
313.27371	65.5
314.27570	3.5
320.10590	1.5
335.25781	4.1
447.24796	41.1
447.30182	2.0
448.24655	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.4
57.07084	4.0
67.05494	4.8
69.07069	14.1
71.01896	1.2
71.02239	1.8
71.08624	1.5
79.05488	2.1
81.07060	7.0
83.08622	7.5
85.10168	1.8
91.05801	2.7
91.11631	0.9
93.07048	3.1
95.08609	5.2
97.10163	4.8
102.23939	0.9
105.07011	0.9
107.08596	2.9
109.10149	6.4
111.11712	2.3
119.08578	3.4
121.06496	1.2
121.10129	2.2
122.07220	1.1
123.08051	1.0
123.11741	1.5
131.08536	1.6
135.08038	2.7
135.11652	0.9
136.08839	1.0
137.09628	9.6
139.07605	1.3
149.08507	1.4
149.09599	9.5
149.13251	1.1
159.11682	1.8
160.08902	0.9
161.09567	1.5
162.06760	0.9
162.10437	0.8
163.11172	7.5
164.08347	3.0
165.09114	100.0
166.09454	1.7
175.07584	1.2
175.11195	3.4
176.08307	0.9
177.09178	5.0
179.10611	1.6
187.11209	1.2
189.09090	2.7
189.12715	1.0
190.09882	1.3
191.10661	4.7
199.11244	3.1
201.12770	1.2
203.10587	5.5
205.12260	7.4
217.12152	1.0
219.13814	2.7
227.01823	0.9
233.15425	1.2
261.59137	0.9
289.21628	1.1
332.79349	0.9
359.03040	1.9
427.35828	2.8
428.36230	1.6
428.67490	0.8
445.20209	3.9
445.37201	4.8
445.43127	1.1
446.37402	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	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62807	1.1
55.05503	9.6
57.07066	4.7
65.79811	1.1
66.36034	1.1
67.05500	6.0
69.07060	15.6
69.37009	6.1
69.37434	6.6
69.98671	1.3
71.08624	2.8
79.05499	1.5
81.07054	6.9
83.08613	7.2
85.46581	1.3
92.90118	1.3
93.07030	1.5
95.08604	5.4
97.10161	5.6
98.21471	2.3
99.04474	1.1
104.33610	1.2
107.08561	3.8
109.10153	5.4
111.11737	1.6
119.08598	2.7
121.10169	2.1
122.07220	1.4
123.11730	1.5
135.08049	2.5
135.11658	2.0
137.09612	10.9
147.11642	1.3
149.09605	7.7
157.95151	1.3
159.11726	1.4
163.11179	8.4
165.09114	100.0
175.11211	3.3
177.09131	6.5
189.09114	1.8
191.10675	4.8
199.11240	1.9
201.12788	2.5
203.10750	3.8
205.12286	6.2
206.83881	1.4
219.13922	2.8
255.54694	1.3
335.66650	1.7
415.15787	1.3
427.35614	2.4
434.71835	1.7
445.19852	6.9
445.36346	2.8
446.20648	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77687	1.2
53.03943	3.5
55.05513	51.9
56.96576	2.1
57.07069	1.8
67.05505	7.1
69.03440	7.6
69.07066	19.9
70.49994	1.3
71.04993	2.6
79.05494	7.9
81.03416	4.1
81.07061	22.7
83.04967	4.5
83.08626	5.5
85.02891	2.5
87.08099	2.5
91.05387	2.4
91.05783	11.1
93.07042	7.7
95.04967	3.1
95.08617	14.3
97.02882	4.1
97.06541	2.3
97.10174	100.0
99.08095	2.3
105.07023	7.5
107.04936	3.3
107.08620	7.4
109.02870	2.5
109.06530	6.2
109.10153	12.5
111.08072	2.4
111.11742	2.6
114.07364	1.5
119.04947	2.5
119.08598	4.8
121.06529	7.5
121.10157	4.8
123.04481	1.4
123.08064	3.4
123.11725	4.1
125.09634	27.2
127.03932	1.7
131.08539	4.3
133.06413	1.9
133.10136	3.6
135.08058	3.8
135.11714	2.6
137.05983	53.2
139.11189	5.7
143.08626	1.9
143.10678	49.3
143.11810	2.3
145.10120	3.2
147.04414	10.2
147.08083	1.9
147.11703	2.3
148.04764	5.3
149.09641	4.8
151.07527	7.0
157.10158	2.0
157.12299	3.5
161.06020	1.8
161.09641	2.1
161.13245	2.0
163.07559	25.0
164.47166	1.3
165.09108	3.5
166.87363	1.4
167.05597	5.4
174.79634	1.5
175.07571	4.4
175.11241	2.2
177.09105	44.3
185.09583	2.1
187.07404	1.8
189.09271	7.6
189.11092	7.4
191.10657	9.6
193.12259	1.6
201.09135	2.3
202.92232	1.6
203.06979	4.7
203.10638	3.1
204.07330	2.7
205.12277	1.7
225.04292	2.8
227.12679	1.9
237.18777	1.3
245.15315	1.8
253.63564	1.5
257.15335	1.7
271.16916	2.8
289.17978	3.5
291.23062	1.8
359.02817	8.1
385.15833	1.8
399.28738	2.4
409.27304	4.1
427.28659	9.4
445.18521	1.9
445.29453	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	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.01860	7.4
55.05514	32.3
57.03430	5.8
57.07070	4.8
65.03940	3.1
67.05502	60.5
69.03418	6.0
69.07070	24.6
71.04986	6.0
71.33314	5.3
77.49942	2.4
79.05059	4.0
79.05491	51.6
81.03411	8.8
81.07059	54.2
83.04988	5.5
83.08614	10.7
85.06553	3.5
91.05458	71.5
93.07043	49.8
95.04965	10.7
95.08610	39.2
97.02892	4.6
97.06519	9.3
97.10184	7.0
99.08027	2.3
103.05447	2.9
105.04529	2.6
105.07032	79.6
106.07339	2.8
107.04964	8.3
107.08604	27.5
109.06518	8.2
109.10145	12.9
111.08069	4.1
111.25044	2.6
115.05436	3.7
117.07012	32.4
119.08577	43.6
121.06506	5.3
121.10172	15.1
123.08082	2.4
123.11725	4.8
124.87532	2.7
125.09582	2.9
126.58657	2.4
128.06213	5.1
129.07004	25.9
131.08563	53.6
133.06548	4.2
133.10114	18.8
134.98181	24.0
135.08046	4.9
135.11685	10.4
137.09654	4.4
141.07011	10.1
142.07852	2.7
143.08554	24.2
145.06482	6.0
145.10118	31.7
147.08014	5.5
147.11678	5.8
149.09613	6.2
155.08508	12.0
157.10144	16.6
159.11673	15.7
161.09570	6.8
163.11217	6.1
165.09192	3.7
167.08557	4.3
169.10141	11.4
171.08112	2.6
171.11705	5.9
173.13234	7.0
181.10146	7.4
183.11687	7.0
185.13281	7.0
187.14806	5.5
195.11688	5.4
197.13283	5.0
209.13335	4.6
211.14787	5.7
213.16345	3.6
215.14349	3.7
227.12708	4.3
237.16383	3.3
241.15858	3.2
247.16922	5.9
259.17053	4.1
261.18594	4.3
311.25726	7.2
325.25269	6.1
335.23779	6.6
343.26285	10.8
353.24698	27.3
365.24106	2.6
371.25806	33.3
389.26889	27.3
427.28470	6.7
434.57718	2.8
445.23654	5.4
445.29449	100.0
446.29929	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
53.84827	1.2
55.01861	3.8
55.05275	2.0
55.05514	27.9
56.49934	1.2
57.03444	6.2
57.07072	1.8
59.04976	1.5
61.19527	1.1
65.03931	5.6
67.05503	61.0
69.03433	2.6
69.06732	1.6
69.07071	18.1
69.71004	3.4
69.71418	4.9
71.04993	3.7
77.03889	1.4
79.05492	53.9
81.03406	3.8
81.07056	55.6
83.04964	4.8
83.08617	11.1
85.02900	2.0
85.06525	4.1
87.83537	1.2
91.05467	77.5
93.07043	53.1
95.04950	11.1
95.08055	2.3
95.08610	32.2
97.06513	7.2
97.10161	4.5
98.21423	1.5
103.05454	4.9
105.04517	2.3
105.06316	3.6
105.07027	75.6
107.04940	6.9
107.08598	24.5
109.06522	5.7
109.10160	13.4
111.08063	3.1
115.05475	5.4
116.06236	2.5
117.07018	34.0
119.04940	1.8
119.08583	41.3
121.06482	6.5
121.10139	15.0
123.08054	3.8
123.11667	3.6
125.06149	1.8
125.09626	2.3
128.06210	6.1
129.07008	26.3
131.08563	60.4
133.06508	4.0
133.10115	23.5
135.08063	5.4
135.11682	6.0
137.09625	2.9
141.06990	8.3
142.07768	2.6
143.08554	23.5
145.06483	5.7
145.10120	33.8
147.08041	6.0
147.11691	7.9
149.09593	4.3
149.13263	2.8
149.62543	1.2
151.11113	1.8
154.07767	2.1
155.08562	14.3
157.10130	15.6
159.08067	2.8
159.11685	13.8
161.09679	3.2
161.13243	3.1
163.11192	4.1
165.06937	1.7
167.05563	3.0
167.08589	4.6
168.09329	1.9
169.10153	8.7
171.11674	11.4
173.09698	2.8
173.13335	6.3
175.14792	1.6
177.12819	3.1
181.10106	8.2
183.11717	8.2
185.09581	1.9
185.13219	7.7
187.11325	1.9
187.14806	5.4
195.11688	5.7
197.13338	6.5
199.11101	1.8
199.14883	4.5
201.12796	1.8
201.16400	1.5
204.17094	1.6
209.13206	5.1
211.14813	4.6
213.12804	3.3
215.14389	2.7
217.15926	2.7
221.13371	1.6
223.14801	4.9
225.16330	3.1
227.14354	1.9
233.15355	3.6
235.14838	2.1
237.16415	1.9
241.15906	3.1
243.17583	1.7
245.15500	1.8
247.16957	5.4
255.17419	2.0
259.17017	4.9
261.18610	3.7
269.18979	1.6
273.18716	2.2
285.18454	1.3
301.54053	1.7
302.84830	1.3
325.25241	5.2
335.23718	9.8
343.26242	8.3
353.24750	25.1
359.02811	2.6
371.25836	26.2
389.26898	23.0
390.27460	1.8
427.28574	7.2
445.29495	100.0
446.29858	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	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
53.14705	1.1
55.01868	3.0
55.05516	18.9
55.49527	1.1
57.03422	3.1
64.12267	1.3
65.03938	5.1
67.05504	56.6
69.03407	3.4
69.06715	2.1
69.07065	19.7
71.04980	5.3
73.04732	1.4
73.99854	1.2
77.03902	2.5
79.05492	45.6
81.03414	3.3
81.07057	46.7
83.04979	3.6
83.08616	7.4
85.06551	2.4
91.05461	67.3
92.05756	1.5
93.07043	44.0
95.04980	11.8
95.08607	32.7
97.02905	2.4
97.06521	7.6
97.10170	4.1
99.08076	1.6
103.05439	3.3
105.03378	2.8
105.07031	68.0
107.04945	7.0
107.08595	18.9
109.06510	5.9
109.10151	13.8
111.08104	2.2
113.00056	1.9
115.05453	4.7
117.06222	2.0
117.07024	30.8
119.04980	1.7
119.08588	37.7
121.06526	6.2
121.10137	17.9
123.08079	2.4
123.11712	1.2
125.09646	1.8
126.33570	1.2
127.07533	1.2
128.06226	5.1
129.07002	24.0
130.07782	1.7
131.04953	1.9
131.07576	2.8
131.08565	46.5
131.09531	2.8
133.06512	4.0
133.10127	17.5
135.04428	4.1
135.08052	3.6
135.11690	8.5
137.05972	3.9
137.09561	1.9
141.06960	8.4
142.07814	3.0
143.08562	19.1
145.06474	4.7
145.10132	29.4
147.08070	3.1
147.11681	7.7
149.09641	4.4
149.13200	1.6
155.08537	12.1
157.06552	2.1
157.10117	14.1
159.08035	4.0
159.11685	12.9
161.09654	4.1
161.13222	2.8
163.11121	2.6
165.09254	1.6
167.05562	4.3
167.08525	4.6
169.10138	10.6
169.18729	1.3
171.08081	2.3
171.11679	10.9
173.09599	1.9
173.13289	5.6
175.11226	2.5
175.14836	1.7
177.12776	2.0
179.08620	1.4
181.10120	4.8
183.11703	6.9
185.09537	3.2
185.13307	5.4
187.11235	3.0
187.14865	4.7
191.10707	2.4
195.11679	5.3
197.13245	7.7
199.14847	4.9
201.12755	2.4
209.13254	5.3
211.14830	4.8
213.12856	1.9
215.14377	2.6
217.15967	1.7
219.13788	2.4
223.14839	3.9
224.10733	1.5
225.04211	1.5
225.16460	2.7
227.14374	1.8
229.15981	1.7
233.15259	2.8
235.14871	1.7
237.16277	3.1
241.15852	3.5
243.17398	1.6
245.15533	1.3
247.16930	5.0
248.59003	1.3
251.18036	1.8
253.08551	2.6
255.17432	1.9
259.16776	1.5
261.18420	2.2
269.08209	1.5
269.19055	1.9
273.18686	3.0
317.22672	1.4
325.25375	5.2
335.23697	8.0
342.91003	1.4
343.26282	10.8
350.45767	1.4
353.24704	27.2
359.02921	2.8
371.25827	27.8
389.26898	21.6
417.30362	2.2
427.28387	6.0
445.29477	100.0
446.29840	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	445.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01864	3.2
55.05512	10.0
57.03437	14.7
57.07069	3.1
59.04993	1.6
61.02915	1.8
62.63646	1.2
63.96226	1.1
65.03934	1.7
65.40511	1.3
67.05508	44.8
67.05870	2.2
69.03426	17.0
69.07069	8.3
70.30832	5.2
71.04993	100.0
73.02899	1.8
73.04733	1.3
79.05494	17.3
81.03419	31.9
81.07055	60.8
83.04980	12.2
83.08609	4.5
85.02891	7.9
85.06537	7.5
86.09693	3.2
87.04460	2.4
91.05447	33.1
91.87895	1.1
93.07043	18.4
93.19947	1.5
95.04974	6.3
95.08604	9.0
97.02892	32.6
97.06516	7.6
97.10142	1.8
98.06052	1.8
99.04456	5.7
105.07024	20.6
107.04957	2.4
107.08598	15.8
109.02871	6.3
109.06511	4.2
109.10155	10.3
111.04435	4.8
111.08092	2.3
116.07033	1.3
117.07038	3.2
119.08585	3.0
121.06491	1.7
121.10150	5.6
123.08077	2.1
123.11700	12.8
125.09611	1.7
127.03918	10.0
129.05446	3.1
129.06981	1.3
131.08551	6.0
133.06479	1.4
133.10124	28.3
135.04446	2.0
135.11694	5.4
137.05972	4.1
147.04443	1.4
147.11668	2.1
149.13252	6.1
151.07576	2.3
151.11182	18.6
157.10095	1.4
158.11794	1.8
159.08002	2.4
159.11661	7.5
165.09196	2.3
165.12813	2.0
167.05536	1.8
169.12227	3.0
173.04451	6.7
177.12712	6.3
183.06540	1.6
183.13823	9.8
187.07573	3.2
187.13306	25.5
195.13858	6.4
201.14857	11.9
205.08614	3.0
213.14795	1.7
239.16412	1.5
241.17883	1.5
243.15921	3.8
257.17487	57.3
267.15683	1.5
269.17535	5.0
301.20041	6.6
307.12939	1.6
339.17978	1.9
359.02682	3.6
395.20624	1.9
413.21939	8.2
445.24426	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05450	1.1
52.06219	1.1
53.03939	4.9
55.01865	2.7
55.05510	10.7
57.03436	15.9
59.04991	2.2
61.02916	1.3
65.03954	2.7
65.65112	1.2
67.05503	45.5
69.03428	16.5
69.07049	6.1
69.57028	5.8
69.57448	2.1
71.01379	1.6
71.04991	100.0
73.02917	1.3
73.04752	1.8
79.05486	20.6
81.03416	24.3
81.07053	61.0
83.04979	9.5
83.08610	5.0
85.02900	8.7
85.06541	8.2
87.04450	2.4
91.05453	36.4
93.07040	16.7
95.04950	4.6
95.08611	9.3
97.02894	28.2
97.06528	8.6
97.10168	2.7
98.06048	1.3
98.39571	1.1
99.04435	6.5
99.08146	1.4
103.03944	1.8
105.07018	20.7
107.04974	1.7
107.08581	16.2
109.02844	6.7
109.06505	4.6
109.10147	10.9
111.04465	3.3
111.08086	2.7
113.06034	1.7
115.03938	1.3
117.07027	2.0
119.08578	2.2
121.06470	1.4
121.10138	4.3
123.08117	1.4
123.11714	10.0
124.12041	1.2
124.43356	1.3
125.06073	1.5
127.03922	9.6
129.05469	4.5
131.08583	4.5
133.06523	1.4
133.10127	30.7
133.90857	1.3
135.08054	1.4
135.11690	4.3
137.06041	1.2
145.10130	1.8
147.11696	2.9
149.13246	6.7
151.07559	1.6
151.11179	17.9
158.11754	1.6
159.11678	6.6
163.07585	1.3
163.72200	1.1
165.09131	2.8
165.12633	1.9
167.05629	2.0
169.12288	2.5
171.06532	1.7
173.04465	8.0
177.12711	6.3
179.14192	1.4
182.15419	1.6
183.06519	2.3
183.13799	9.8
187.13289	26.0
193.12250	1.6
195.13817	5.6
197.02885	8.9
201.14857	13.1
213.14793	1.7
239.16409	2.3
243.15865	5.6
257.17474	64.6
269.17551	5.6
283.19022	1.7
286.10559	1.0
297.17072	1.6
301.20117	9.0
321.16678	1.6
339.18112	3.3
359.02872	3.1
395.20728	3.2
413.21597	7.1
445.24655	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45589	0.9
53.03937	2.5
55.01860	3.5
55.05505	6.4
57.03437	6.4
61.02924	16.0
67.05500	10.1
67.82935	0.8
69.03429	8.4
69.07059	4.5
69.46607	5.7
69.47024	1.7
71.01336	0.8
71.04996	7.1
73.02913	6.4
73.04749	1.2
79.05489	13.2
81.03421	8.5
81.06635	1.3
81.07057	13.1
82.78262	0.8
83.04976	2.8
83.08643	4.5
83.92934	0.9
85.02905	14.8
86.09684	2.4
87.04457	0.8
91.03944	6.3
91.05404	12.4
93.07040	22.1
95.04977	4.9
95.08599	19.4
97.02882	14.3
97.06519	2.3
99.04446	4.5
101.02364	2.1
103.03902	1.4
105.07018	5.3
107.04949	5.2
107.08596	15.4
109.02897	4.2
109.06492	1.6
109.10139	2.0
111.08031	1.0
113.06032	0.8
113.29632	0.8
117.06998	5.8
119.04931	9.9
119.08555	5.7
121.02819	1.2
121.06522	4.2
121.10134	7.0
125.05959	2.1
125.09675	1.1
127.03895	8.1
130.07826	1.0
131.08537	1.1
133.06450	1.2
133.10104	2.4
135.08060	1.4
135.11688	26.8
136.11978	1.1
137.05968	2.1
137.66368	0.8
139.07504	1.8
145.04935	2.0
145.10112	16.9
147.04411	12.9
151.07561	1.4
163.11182	40.8
163.12550	2.0
164.11543	1.1
165.05475	8.5
167.05617	1.5
173.09686	1.0
179.07025	31.8
181.12218	8.3
183.06494	2.3
187.13150	0.9
197.08101	14.3
201.07549	1.6
225.04228	1.1
227.12772	100.0
228.13126	1.6
246.11378	1.5
257.17578	1.1
279.85034	1.1
283.15411	18.7
311.14777	1.2
325.16412	1.4
359.02826	2.2
375.23691	1.1
413.10809	1.1
445.19962	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63539	3.4
53.03938	13.5
53.56771	3.0
55.01872	19.1
55.05308	3.0
55.05513	36.1
55.26464	3.0
57.03439	38.3
57.07067	4.2
61.02915	4.4
65.03943	4.1
67.05184	3.3
67.05505	53.1
69.03431	96.4
69.07059	14.2
70.19380	12.8
71.01338	9.6
71.04999	20.2
73.02908	11.0
73.04736	4.2
73.73309	2.8
79.05492	48.0
81.03417	96.7
81.07055	45.2
83.04977	40.6
83.08595	18.1
84.60042	3.0
85.02909	44.6
85.06538	4.9
87.04447	9.4
91.05473	31.5
91.05869	7.8
93.07050	43.8
95.04938	16.2
95.08599	26.6
96.02358	3.0
97.02287	5.8
97.02893	100.0
97.06525	12.7
97.09626	3.0
97.10127	17.1
99.04444	18.4
101.02351	7.5
103.03950	8.8
105.07021	27.3
107.04942	17.5
107.08602	30.3
109.02885	30.7
109.06502	10.6
109.10145	27.6
111.04439	25.6
111.08100	10.2
113.00002	8.1
115.03939	4.1
117.07053	24.2
119.08593	32.4
121.06477	7.6
121.09383	3.0
121.10143	20.5
123.04405	4.2
123.08072	9.0
125.05962	7.2
125.09628	21.3
127.03925	51.4
129.05469	7.9
129.06995	14.3
131.08571	35.5
133.10133	16.6
135.08003	4.4
135.11684	28.9
137.09633	4.9
138.30786	3.7
141.06973	4.8
143.08566	20.6
143.10733	4.2
145.05016	4.3
145.06476	5.6
145.10141	32.7
147.08034	8.5
147.11685	9.8
149.05972	3.4
149.09642	4.2
151.07430	5.6
153.05376	3.9
153.12737	34.3
155.08522	10.4
157.10158	9.8
159.11703	9.3
161.09598	6.8
161.13165	4.3
163.11174	53.3
166.31906	3.0
167.05540	6.8
167.08548	3.6
169.10088	4.6
171.11682	6.7
173.04471	31.6
173.09604	12.4
173.11728	10.8
175.14798	5.4
177.79944	3.5
181.10066	4.5
181.12253	19.9
183.06528	6.7
183.11665	6.0
189.11208	6.0
191.10646	27.9
193.10052	5.3
193.12195	6.6
195.11838	3.6
197.13315	4.5
199.13254	3.7
201.07547	3.4
201.12764	4.7
209.11731	68.4
209.13577	4.9
217.14316	3.6
223.14745	4.4
227.12769	67.1
228.13092	4.6
241.19530	5.6
245.13617	3.7
257.13837	4.9
265.14288	4.4
283.15292	18.4
285.10080	4.0
301.16382	14.9
315.10959	4.6
333.24203	14.4
335.23709	7.2
353.15924	6.6
353.20877	3.7
353.24686	18.6
358.20322	3.1
359.02713	7.8
371.25635	4.2
376.87796	3.3
385.69827	3.4
427.19119	5.7
427.28357	7.0
445.20313	53.3
445.25323	30.2
445.29626	34.7
446.21094	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	445.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.1
55.01875	19.6
55.05510	37.5
57.03434	33.4
59.04990	6.3
59.56054	2.5
61.02920	3.7
65.03950	3.3
67.05506	49.4
69.03428	87.4
69.07085	13.5
70.17209	13.4
71.01333	8.1
71.04997	16.3
73.02895	10.4
73.04773	3.7
79.05494	43.9
81.03420	97.0
81.07048	34.8
83.01323	4.7
83.04985	41.1
83.08605	15.7
85.02898	40.0
87.04469	7.1
91.05467	21.6
91.05873	7.6
93.07045	42.6
95.04970	16.9
95.08617	22.4
97.02888	100.0
97.06512	11.0
97.10158	14.5
99.04464	16.4
101.02374	5.7
103.03938	5.0
103.05457	3.1
105.07036	24.2
107.04929	19.2
107.08588	28.3
109.02887	30.4
109.06505	9.1
109.10159	21.8
111.04450	24.0
111.08080	6.6
115.03859	2.8
117.07030	15.0
119.08587	24.1
121.06474	6.0
121.10155	17.7
123.08044	10.2
125.09626	23.2
127.03923	53.8
129.05463	8.0
129.07014	7.0
131.08543	13.0
133.10086	10.8
135.04369	5.1
135.08093	6.2
135.11693	34.7
143.08546	6.9
145.04962	5.3
145.06532	4.1
145.10132	32.8
147.08058	5.1
147.11655	7.4
149.09605	5.3
151.07532	3.9
153.12733	36.6
155.08524	7.1
159.08054	3.2
159.11662	3.3
161.09576	5.1
163.11198	50.3
165.05450	3.6
165.08961	3.9
167.05544	6.3
169.10112	4.2
171.11748	4.4
173.04468	29.4
173.09576	12.8
173.11646	7.9
173.13104	3.4
181.12231	30.5
183.06514	8.5
185.13251	3.4
189.09106	2.8
189.11238	8.9
191.10681	28.0
199.13202	3.2
201.07608	3.3
209.11702	80.6
219.13841	6.8
225.04362	4.0
227.12766	78.1
229.14360	8.7
249.14867	4.4
257.14078	3.1
263.12781	4.0
265.14285	4.3
273.14737	3.9
274.91949	3.5
283.15396	20.2
301.16565	22.9
326.34503	3.3
329.15836	3.2
353.15997	8.8
359.02933	4.8
409.18762	4.2
409.26984	3.9
427.19537	6.9
427.28238	5.8
445.20633	83.9
445.29559	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	17.7
55.01859	21.8
55.05509	30.7
57.03427	23.4
67.05500	39.5
69.03432	75.6
69.07051	20.7
71.01331	6.5
71.04984	17.6
71.58907	5.3
71.59376	5.7
73.02908	5.0
73.04750	6.2
79.05490	50.5
81.03419	88.1
81.07054	50.6
83.04991	35.5
83.08607	14.5
85.02909	32.6
87.04455	5.0
91.05407	16.5
91.05788	30.6
93.07039	50.7
95.04968	16.2
95.08598	33.9
96.07560	4.7
97.02296	6.4
97.02890	100.0
97.06511	20.5
97.10155	9.8
99.04440	20.8
101.02373	5.3
105.07031	27.4
107.04938	23.6
107.08601	32.5
109.02894	25.2
109.06495	8.2
109.10133	23.9
111.04443	23.8
111.08028	8.9
117.07018	23.9
119.08567	24.4
121.06524	5.6
121.10118	22.4
123.08094	10.9
123.11694	7.6
125.05986	6.7
125.09663	11.6
127.03930	43.0
129.07001	8.5
131.08546	19.6
133.06491	7.7
133.10156	14.3
135.08009	8.7
135.11652	27.5
135.59508	5.3
136.06219	5.4
137.05881	9.2
137.09598	15.5
141.06866	5.2
143.08595	6.4
145.05046	6.3
145.10100	33.7
146.13274	5.1
147.08122	6.4
147.11658	11.7
149.09680	5.7
151.07530	11.4
153.12738	35.5
155.08633	5.6
157.10117	6.5
159.08087	5.6
163.07530	7.2
163.11169	46.1
165.09097	49.9
167.05519	20.6
168.58946	5.5
173.04434	15.2
173.09633	10.3
177.09026	11.9
177.12634	6.5
181.12241	32.9
183.06548	6.4
191.10643	27.5
199.13228	6.4
209.11722	78.6
225.04262	8.7
227.12761	76.7
269.12482	7.9
269.56799	6.2
283.15414	18.7
301.16388	17.7
359.02832	27.9
427.28464	7.3
433.46039	5.6
445.20746	64.2
445.26617	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	445.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05908	0.4
55.01862	0.6
55.05504	0.5
56.05034	0.6
64.83979	0.4
67.05496	0.7
69.03438	0.9
69.07054	0.5
70.06568	0.7
70.44147	1.6
72.04514	0.6
72.08137	1.4
73.04753	1.3
74.00658	0.7
76.04003	1.2
79.05468	0.7
80.05002	0.6
81.03423	0.6
81.07021	0.6
84.04507	6.5
84.08111	0.5
85.02882	0.8
85.04008	1.5
86.09708	3.5
86.14584	0.5
89.50014	0.4
91.05816	6.7
93.05785	0.9
93.07089	0.5
93.08064	0.4
94.06573	1.3
97.02897	0.7
99.02670	1.7
99.05595	0.7
101.34293	0.5
106.06570	0.5
106.39052	0.4
107.04961	0.5
107.08597	0.6
107.27229	0.4
108.08104	1.5
109.02868	0.5
109.08875	0.7
110.06019	0.7
110.09660	0.9
111.02649	1.2
113.04211	0.5
116.01629	0.7
116.07092	1.0
118.06534	1.0
119.07301	1.2
119.46928	0.4
120.08109	0.5
121.02869	1.2
122.06020	7.4
123.04368	0.6
124.02168	0.6
125.02940	1.2
126.03722	1.6
127.02129	0.5
129.06534	0.5
130.04979	3.1
131.04515	1.2
136.07549	0.9
137.04176	0.7
137.08354	38.3
138.09146	8.8
140.10674	1.4
142.06830	0.8
145.06064	0.9
149.04416	0.4
150.05478	0.6
152.05293	5.5
162.02171	0.9
162.55418	0.4
163.03978	0.5
167.05548	2.0
170.06348	100.0
171.06743	0.8
172.07909	1.5
177.03293	5.0
178.08578	0.4
179.14288	1.0
185.03812	1.9
196.07915	10.8
206.06375	1.9
213.10570	2.5
223.09077	1.9
224.07401	13.0
225.04213	0.7
231.04321	5.9
241.10040	5.2
279.11627	2.2
288.06375	0.9
298.12128	1.4
316.13257	5.5
339.97876	0.5
340.02005	0.4
352.13318	0.6
359.02914	3.4
370.14105	1.0
445.20721	12.5
447.19144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39270	0.8
50.51636	0.9
53.03938	1.3
55.01867	1.1
55.05499	1.0
57.03435	1.3
57.08773	0.8
61.02911	1.6
64.82557	0.7
67.05503	1.7
68.99775	1.1
69.03429	6.5
70.13620	3.8
73.02912	1.9
79.05470	1.6
81.03411	5.8
81.07022	1.3
85.02901	15.8
86.09711	0.8
87.00835	5.2
91.05413	3.7
93.07057	6.1
95.04945	2.7
95.08618	1.4
97.02875	4.7
99.04444	2.1
105.01861	4.0
105.07024	5.4
107.08596	17.5
107.68336	0.9
109.02871	5.6
109.06520	1.2
109.10159	2.0
119.08555	2.9
121.06493	1.9
123.11710	0.9
127.03916	7.8
133.10127	22.1
135.10687	1.3
135.11685	20.8
137.09517	1.3
145.04984	1.1
145.10153	0.9
151.11186	2.0
157.61864	0.9
161.09599	11.3
163.11256	0.9
179.10660	34.2
197.11728	100.0
198.11990	1.8
227.12732	3.5
231.05063	1.9
283.15387	0.9
331.33929	1.0
359.02853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01867	3.2
55.05503	3.9
56.50983	1.0
56.96560	2.1
57.03429	3.7
61.02921	4.0
67.05503	4.2
68.99778	1.0
69.03126	1.2
69.03432	12.7
69.07069	1.6
69.35831	0.9
70.06582	1.4
70.91851	2.3
71.04993	3.6
73.02922	2.1
73.04754	3.0
79.05499	3.6
81.03407	8.1
81.07053	5.7
83.04990	2.7
85.02905	22.2
85.06544	2.1
85.34955	1.1
86.09700	1.6
87.00822	4.0
87.04469	1.4
91.05873	13.0
93.07050	6.5
95.04957	1.8
95.08629	5.6
97.02892	8.9
97.06560	1.4
97.10206	1.3
99.04449	3.2
105.01860	4.1
105.07030	8.6
107.04942	2.2
107.08600	28.3
109.02882	7.7
109.06547	2.0
109.10183	2.9
109.43156	1.0
119.08581	7.1
121.02968	1.0
121.06503	2.7
121.10160	6.0
123.04440	1.3
123.11674	1.0
125.46162	1.1
127.03925	12.8
131.08591	1.9
133.06517	1.7
133.09125	1.2
133.10132	18.5
135.08076	1.1
135.11702	2.5
137.05960	1.7
139.07510	1.6
143.08592	1.6
145.04973	4.3
145.10173	1.2
148.00070	1.1
149.09648	4.6
151.07629	1.2
151.11172	7.3
155.06044	1.6
159.02911	1.9
161.09613	5.8
167.05571	4.6
167.06969	1.1
167.10674	10.8
169.07635	2.3
179.10701	13.6
183.02879	1.1
183.05559	1.8
195.05629	1.7
197.11734	100.0
207.05621	1.2
211.17126	1.0
213.06685	1.4
221.07082	1.1
224.52364	1.0
225.04320	2.1
225.06569	2.1
227.02255	1.6
227.12666	1.6
231.04916	2.0
239.08212	1.2
247.13400	1.6
267.07925	1.1
271.07266	1.6
283.05997	4.2
284.11807	1.6
285.08435	2.3
293.12302	1.6
295.07104	2.4
303.09109	3.4
313.08075	3.6
321.10184	2.9
339.11292	1.9
342.99911	1.5
359.02823	6.3
385.11783	1.3
427.11838	1.7
445.17032	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22388	4.5
55.31537	4.8
55.60091	4.5
72.08151	9.1
88.36824	5.1
89.10799	7.4
135.49879	5.2
153.05534	5.6
158.58919	4.8
160.09682	6.0
174.34590	4.9
192.99803	6.4
214.37726	5.4
224.75032	4.9
434.57587	5.4
445.11182	100.0
456.87735	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	443.3885
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.37769	5.3
55.05503	19.2
57.07074	9.2
59.36917	5.4
67.05501	44.6
68.40670	5.5
69.07079	27.6
76.14281	6.0
79.05471	19.4
79.08640	6.6
81.07060	60.9
83.08630	7.4
91.05483	21.4
93.07050	41.2
95.08036	10.2
95.08604	100.0
97.10172	8.5
105.07034	36.2
107.08594	56.2
109.10165	70.8
111.11732	6.9
119.08573	38.9
121.10134	65.4
123.08054	5.8
123.11687	27.1
125.09626	11.2
129.06999	6.5
131.08514	12.4
133.10112	24.9
135.04449	6.4
135.11682	32.9
143.08566	10.3
145.10094	12.4
147.11681	25.3
149.13240	32.4
159.11716	13.5
161.13254	25.7
163.14853	33.1
165.09146	10.0
175.14819	18.7
177.16373	19.0
183.11754	7.2
185.48775	7.1
189.16353	16.6
191.05881	5.8
191.17976	52.2
201.16513	7.0
203.17964	26.1
215.18158	7.5
217.19463	27.2
221.18922	16.4
235.20514	26.4
323.12830	19.3
351.22968	8.6
395.36514	15.6
413.37933	9.3
425.26740	6.8
425.37610	33.7
443.27823	21.6
443.38828	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	443.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.96575	0.6
57.03428	0.5
57.05771	0.6
60.04537	0.7
60.05650	7.2
66.45034	0.5
67.05494	1.9
69.03432	1.9
69.07067	10.7
69.36974	4.7
70.06591	22.7
70.95903	0.5
71.04997	1.2
72.04511	0.5
72.08153	1.6
72.93797	0.6
78.14000	0.5
79.05496	1.4
81.03414	1.5
81.07046	1.8
83.05004	0.8
84.57920	0.4
85.02905	2.7
86.09704	100.0
87.09970	0.5
91.05476	1.8
93.07034	1.4
95.04984	1.1
95.08615	1.5
96.40223	0.4
97.02887	1.2
97.06534	0.7
97.07697	0.6
98.97565	0.9
99.04465	0.6
105.07015	1.5
107.04958	0.6
107.08597	1.5
109.02895	0.6
109.06544	0.6
109.10158	1.2
112.08727	3.1
113.07133	0.6
114.10322	1.0
115.03976	0.5
115.08704	4.4
116.07089	8.6
116.98645	1.1
119.08598	2.1
120.08091	0.5
121.10172	0.9
123.04490	0.7
123.08086	0.6
127.03895	1.1
128.10712	17.0
130.09737	3.4
131.08572	0.8
133.06509	0.5
133.10017	1.5
134.99654	0.6
135.04410	0.5
135.08078	0.6
135.11809	0.5
137.09653	1.1
142.16536	0.5
147.04424	0.9
147.11754	0.7
156.10179	1.0
156.11317	7.6
157.10928	0.6
158.09251	6.9
158.97417	0.8
162.96826	0.6
166.08582	0.5
175.11906	19.2
176.98515	0.8
215.14378	0.5
225.02145	0.7
226.15512	0.5
228.01294	0.5
234.99019	1.8
245.15318	0.8
253.16623	0.9
263.16449	1.0
271.17645	10.1
281.08414	1.9
283.06412	0.7
288.20212	0.8
299.09344	2.7
335.09567	0.8
399.16452	0.8
407.11951	0.7
425.12460	0.8
425.28833	1.0
443.14087	2.2
443.19547	2.0
443.29764	84.7
444.30075	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	443.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01868	5.0
55.05268	1.8
55.05513	22.4
57.03432	3.5
57.07071	1.2
60.05660	0.9
65.03930	3.1
67.05505	43.8
69.03416	1.4
69.06737	1.0
69.07075	14.5
71.04974	4.0
71.58701	1.2
71.59090	1.2
79.05491	34.9
81.03412	2.2
81.07056	37.2
83.04985	3.4
83.08614	10.8
85.02946	1.1
85.06531	3.5
91.05479	50.5
93.07036	29.6
95.04970	8.5
95.08607	23.5
97.06530	5.2
97.10133	3.0
103.05462	3.1
105.04510	1.0
105.07027	39.4
107.04964	6.0
107.08598	14.7
107.68611	0.9
109.06528	7.9
109.10149	10.7
111.08056	4.1
115.05445	5.9
116.06236	2.2
117.07012	33.4
117.07848	1.9
119.04914	2.1
119.08575	21.5
121.06503	7.3
121.10144	7.8
123.08068	3.2
123.11746	2.1
125.09629	2.4
128.06221	14.1
128.59981	1.1
129.07004	40.3
130.07831	3.0
131.04959	1.9
131.08569	40.2
133.06491	7.6
133.10133	11.5
135.08046	6.6
135.11665	3.3
137.06000	1.8
137.09630	3.9
141.06981	17.5
142.07780	5.0
143.08563	37.6
144.09222	1.6
145.06488	9.2
145.10118	19.7
147.08069	7.7
147.11674	4.2
147.83206	1.0
149.09599	4.7
149.13246	1.5
151.07513	3.0
151.11201	2.2
153.06970	4.9
154.07751	4.1
155.08554	26.2
156.09258	1.6
157.06470	2.3
157.10127	17.8
158.07249	1.1
159.08090	5.5
159.11673	6.8
161.09637	3.7
161.13301	1.9
163.11153	2.4
165.05716	1.2
165.06998	4.5
165.09169	2.0
166.07806	2.8
167.08571	12.5
168.09354	2.0
169.10112	17.1
171.08051	5.2
171.11691	13.3
173.09648	4.1
173.13333	2.1
175.11188	2.7
176.85057	0.9
178.07841	1.4
179.08612	5.2
180.09367	2.4
181.10112	13.4
183.08081	1.9
183.11707	10.4
185.09624	3.3
185.13252	7.7
187.11240	1.4
187.14861	1.6
189.08984	1.3
189.12804	1.2
191.08600	1.0
191.10658	2.1
192.09218	1.4
193.10182	6.4
193.11852	1.0
195.11678	10.0
197.09546	1.9
197.13229	7.1
199.11176	3.1
199.14827	3.9
201.12712	2.8
202.39720	1.1
203.14445	1.8
205.10220	1.8
207.11725	5.6
209.13264	8.2
211.11177	2.6
211.14935	4.8
211.18886	1.1
213.12761	8.1
213.16318	2.1
215.14342	1.6
217.15965	2.5
219.11752	1.5
221.13220	6.3
223.14790	6.3
225.12747	3.8
225.16359	2.4
227.14259	4.3
231.13757	1.8
233.13235	1.4
235.14844	4.2
237.12813	1.7
237.16418	2.2
239.14212	5.7
239.18132	1.2
241.15947	2.0
245.15399	2.5
247.14661	1.3
249.16469	2.1
253.15854	3.3
255.17404	1.9
257.15463	2.2
259.17126	2.5
261.18552	1.1
267.17398	3.0
269.15369	1.5
271.16995	4.3
273.18698	1.8
285.18402	1.6
289.17944	1.2
305.22458	1.5
323.23663	5.2
333.22186	8.8
341.24704	7.8
345.20627	1.8
351.18753	1.8
351.23154	32.4
352.23526	2.8
369.24246	45.5
370.24664	3.0
387.25269	16.9
388.25739	1.1
407.25845	1.2
425.26712	7.8
443.27933	100.0
444.28201	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	443.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94748	2.2
53.03942	3.0
54.62831	2.4
55.01875	7.4
55.05511	24.3
56.96557	2.6
57.03444	4.0
65.03933	5.1
67.05505	60.6
68.75303	2.2
69.07066	23.0
71.04999	4.9
71.58854	3.4
76.15916	2.7
79.05492	45.4
81.07057	43.6
83.08633	14.5
91.05479	61.6
93.07045	35.6
95.04974	9.3
95.08606	26.7
97.06547	5.0
97.10186	7.0
103.05449	2.8
105.02114	2.7
105.03407	2.3
105.07031	41.2
107.04985	8.4
107.08604	16.0
107.09203	2.5
109.06551	8.8
109.10164	13.3
111.08066	4.0
115.05460	10.8
117.07005	34.9
119.04928	2.5
119.08582	26.0
121.06512	8.1
121.10166	9.2
121.54259	2.5
123.04427	2.4
123.08106	6.7
125.09683	3.3
128.06219	16.6
129.07002	46.4
131.04918	3.1
131.08562	43.8
133.06534	7.0
133.10120	16.1
135.08081	7.5
135.11694	4.1
137.09605	6.1
141.06966	19.4
142.07817	6.1
143.08566	39.4
145.06519	8.2
145.10121	27.8
147.08060	8.4
147.11734	5.3
149.09631	7.5
151.11266	3.0
153.06995	3.2
154.07788	4.8
155.08565	29.4
156.09311	3.3
157.06465	3.3
157.10118	20.5
159.08080	8.4
159.11708	9.4
161.09595	4.4
161.13336	3.2
165.07108	4.4
166.07774	2.7
167.08536	12.9
168.09256	3.8
169.06654	2.5
169.10114	21.3
170.10728	2.1
171.08098	4.3
171.11719	14.7
173.13377	5.1
175.11171	4.0
175.14897	4.4
177.94604	2.5
179.08531	4.5
181.10078	14.8
183.08133	3.4
183.11716	13.0
185.13313	7.7
187.11407	3.1
193.10202	6.6
195.11745	10.6
197.09561	3.9
197.13292	8.6
199.11232	5.1
199.14819	5.9
201.12801	3.5
207.11755	5.2
209.13315	8.7
211.11185	5.1
211.14955	5.7
213.12830	8.0
215.14484	3.5
219.11774	3.6
221.13365	8.1
223.14865	7.2
225.12706	4.4
225.16562	3.0
227.14346	6.3
229.16037	3.0
231.17500	2.9
235.08873	2.6
235.14880	7.5
237.16486	3.4
239.14397	8.1
249.16498	4.4
253.15886	3.7
257.15421	5.7
259.17007	3.9
267.17664	4.3
271.17032	4.3
315.21216	3.8
323.23737	7.0
331.18881	2.9
333.22278	11.1
341.21085	2.6
341.24484	11.5
351.23181	36.6
352.23737	3.9
359.26114	3.6
369.24228	48.0
370.24399	3.5
387.25400	17.0
425.26865	7.6
443.28082	100.0
444.28372	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	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.3
55.01857	7.1
55.05516	35.8
56.96566	5.1
57.03439	23.3
57.45620	3.9
59.04996	8.2
61.02931	51.8
65.03955	7.3
67.05507	77.9
69.03443	32.9
69.07069	29.2
70.90564	14.4
71.04977	12.8
73.02912	21.7
79.05065	6.6
79.05492	100.0
81.03416	32.0
81.07053	73.3
83.04961	18.7
83.08614	13.7
84.68692	4.3
85.02906	51.3
85.06538	7.2
91.03971	23.2
91.05479	93.0
93.07046	97.0
95.04977	37.0
95.08618	44.7
97.02896	42.9
97.06508	13.1
97.10134	7.7
97.67620	5.4
99.04433	10.3
99.08080	9.0
101.02354	10.4
102.36871	4.5
103.03951	6.5
105.07036	73.7
107.04939	15.2
107.08597	43.0
109.02874	14.1
109.06510	9.6
109.10145	19.3
111.08104	10.6
115.05482	5.0
117.06991	24.9
119.08582	54.3
121.06504	14.9
121.10123	18.8
123.04445	8.3
123.08045	17.8
123.11712	11.2
125.05981	5.5
127.03911	19.3
128.06230	15.8
129.06989	48.8
131.08578	34.6
133.06487	15.0
133.10144	25.4
134.99652	4.6
135.04460	9.5
135.08075	9.4
135.11676	7.9
137.06015	15.3
137.09538	7.5
141.06989	14.1
143.08546	33.8
145.06485	11.6
145.10149	31.2
145.11118	4.8
147.08037	10.1
147.11671	58.3
149.09642	8.5
151.07567	22.6
155.08540	18.5
157.10115	17.4
159.08028	6.0
159.11757	11.6
161.09650	12.2
161.13232	22.0
163.07509	5.6
163.11159	8.1
165.09126	32.1
167.07111	10.6
167.08504	10.2
169.10066	9.7
171.11671	45.3
173.13217	8.5
175.07568	4.9
177.09044	11.7
181.10109	14.0
183.11713	10.4
185.13266	4.9
187.11137	6.5
189.12772	25.7
191.10585	11.9
195.11678	5.7
197.13202	8.1
201.07594	6.0
203.10649	5.9
207.11836	9.1
207.13794	48.0
209.13275	12.0
209.55923	4.6
249.09019	5.3
255.10075	14.0
269.14984	5.5
271.16922	6.4
281.17404	58.2
282.18484	5.9
333.22421	5.8
351.23276	28.2
369.24200	7.5
387.25128	6.2
425.26709	11.7
443.27875	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.9
53.36895	2.8
55.01869	9.7
55.05513	25.6
57.03437	22.9
61.02928	61.3
64.54433	2.6
65.03939	5.3
66.78596	2.8
67.05502	73.6
69.03430	39.4
69.07068	23.1
69.97350	16.5
69.97654	4.6
71.04993	15.7
73.02906	27.2
75.51273	2.6
79.05490	100.0
81.03415	43.5
81.07053	58.2
83.04993	20.4
83.08615	12.6
85.02906	70.9
85.06539	8.9
87.00811	4.0
87.04464	3.4
91.03952	26.4
91.05480	78.8
93.07040	92.8
95.04969	31.2
95.08608	42.0
95.09174	4.8
97.02892	50.2
97.06526	10.0
97.10172	9.4
98.20787	3.7
99.04474	10.1
101.02391	15.0
103.03953	7.4
103.05447	3.9
103.78460	2.7
105.07030	63.4
107.04947	16.7
107.08585	20.8
109.02902	19.2
109.06526	10.0
109.10165	13.4
110.06022	31.3
111.04436	7.8
111.08056	4.7
115.03922	4.6
115.05471	3.2
117.07016	19.0
117.85626	2.6
118.90182	2.8
119.08570	37.1
121.06536	8.1
121.10137	16.6
123.04460	3.3
123.08052	13.4
123.11784	5.2
125.09612	4.1
127.03897	34.6
128.06215	8.2
129.05467	3.5
129.06985	26.2
131.08559	9.1
133.06499	6.0
133.10147	17.6
135.11667	5.5
137.05978	8.8
137.09592	6.5
143.08524	15.9
145.04948	10.3
145.06488	4.4
145.10135	17.9
147.08038	5.3
147.11693	63.4
151.07564	15.7
152.06981	3.3
155.08566	4.1
159.08087	5.1
159.11682	6.7
161.09641	11.0
161.13240	18.1
162.61128	2.8
163.11160	3.9
165.09108	24.0
167.07037	4.2
171.08087	3.6
171.11676	42.4
175.07703	3.3
175.11182	4.8
177.09125	6.9
180.10136	3.1
185.13277	3.5
187.11205	3.9
189.12761	22.5
191.10670	5.3
195.11360	13.9
197.13268	3.1
205.12038	2.9
207.13741	39.9
225.06656	3.2
225.14874	4.3
241.15717	4.6
281.17465	62.0
287.16461	3.6
358.11465	5.7
399.20029	5.1
443.18311	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	443.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01865	0.7
57.03440	3.6
59.04985	0.7
61.02938	2.7
69.03431	8.7
70.06599	2.5
70.85738	1.6
71.01365	0.6
71.04991	1.1
72.08150	0.6
73.02901	2.2
78.04108	0.5
81.03407	2.0
85.02901	8.8
87.04452	1.7
97.02898	3.6
99.04448	2.4
99.05022	0.7
109.02855	1.1
109.42840	0.6
127.03905	1.1
131.06041	0.6
132.06821	1.4
146.08344	0.9
147.09175	73.0
148.09503	2.3
159.09236	1.4
160.09988	0.9
163.03964	1.5
179.03418	1.1
189.10260	1.4
219.11348	0.6
237.02844	0.6
263.14026	0.8
281.14966	54.8
282.15311	1.9
443.15765	4.7
443.20297	100.0
444.15125	1.0
444.20584	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	443.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
55.05511	2.5
57.49953	1.0
59.05009	1.0
67.05498	4.9
69.03423	2.0
69.07063	2.8
71.04996	1.1
71.58843	1.4
71.59224	1.2
79.05495	2.7
81.03420	1.7
81.07054	7.1
83.04951	1.1
83.08611	2.0
85.02904	1.7
85.06547	1.5
91.05473	3.6
93.07040	4.8
95.04969	1.6
95.08618	5.2
97.06528	2.3
98.06081	1.6
99.08070	1.3
105.07036	4.2
107.04942	3.0
107.08601	3.3
109.06561	1.3
109.10168	4.6
116.07085	2.8
119.08598	3.4
121.06438	1.4
121.10146	1.6
123.11723	1.7
129.06989	1.3
131.08589	2.2
133.10144	1.7
135.08073	2.2
137.05977	3.5
137.09612	2.1
139.07591	1.1
145.06538	1.5
145.10124	1.4
147.04439	1.6
147.11658	1.3
149.09593	2.7
151.07547	5.8
157.10138	1.7
161.09573	1.2
163.11247	2.0
165.09134	17.0
167.07008	2.2
174.51460	1.0
175.11230	1.6
177.09111	2.4
189.09045	1.1
189.12804	1.2
191.10681	2.3
195.13576	3.4
205.12274	1.8
209.13385	1.2
223.13054	1.4
251.87927	1.1
281.15390	2.7
349.66718	1.1
357.18921	12.8
399.19919	50.4
400.20572	1.9
425.30899	1.4
443.18909	100.0
444.19409	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	3.6
55.04257	3.4
61.02910	0.8
69.03413	2.3
71.37198	1.1
81.04539	20.6
82.05324	7.8
85.02889	2.5
97.02862	1.0
108.05589	1.1
122.07151	100.0
123.07934	93.2
124.08252	1.4
127.03907	0.9
135.04366	0.7
136.11305	0.6
144.04756	1.0
160.04306	2.1
163.03929	1.7
165.07762	3.9
172.04218	1.3
231.57590	0.7
264.08261	0.8
281.10669	62.0
282.10980	2.0
284.02982	0.7
323.11710	1.5
429.05194	0.7
443.15973	61.5
444.16412	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
55.05508	0.9
57.03436	0.8
60.08165	0.7
65.03936	2.5
67.05499	1.2
69.03434	1.6
69.07080	0.7
70.83989	1.2
71.05002	0.6
75.17062	0.4
79.05504	0.8
81.03410	1.6
81.07069	0.7
82.06599	0.5
84.08142	0.4
85.02903	1.8
86.09704	0.8
87.00857	0.5
91.05482	1.3
92.05001	4.6
93.03402	0.6
93.07024	1.2
95.01344	0.4
95.08606	1.0
97.02884	1.0
97.06551	0.5
98.20872	0.4
99.04459	0.6
105.07009	0.9
107.04953	1.9
107.08589	0.6
109.02888	1.4
109.10169	0.4
110.06038	100.0
111.04445	3.7
111.06395	1.5
117.06998	0.5
119.08577	0.7
121.06510	1.0
121.10096	0.7
124.07613	0.5
126.98022	0.4
127.03931	1.6
133.06497	1.1
134.06065	0.5
135.11736	0.4
136.03918	0.7
149.09590	0.5
151.03854	0.7
157.28940	0.4
159.08113	0.4
161.09634	0.5
195.11287	65.6
196.11638	1.4
219.68408	0.4
331.18896	0.4
351.14188	0.7
443.18637	0.6
443.27658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.75649	1.1
55.05502	1.4
67.05488	4.1
67.05844	1.2
69.07068	18.9
71.59576	2.8
71.59951	1.6
79.05492	3.4
81.07050	9.3
83.08640	1.6
91.05498	1.6
93.07039	8.2
95.08617	9.4
97.10149	1.4
105.07038	2.7
107.08583	10.5
109.10145	10.7
111.08118	1.4
119.08582	3.9
121.06486	3.7
121.10127	8.5
121.99261	1.3
123.08096	1.4
123.11707	3.3
135.08035	2.7
135.11688	5.1
145.10152	2.4
147.11681	2.7
149.09627	3.9
149.13258	3.1
154.16962	1.4
159.11809	1.5
161.09601	1.8
161.13240	2.8
163.14816	5.8
171.11664	1.4
194.07838	1.8
201.12761	1.7
243.17456	2.1
301.25272	4.6
441.37268	100.0
442.37582	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05511	19.7
57.07086	6.3
58.44499	5.6
62.43729	5.7
63.89344	4.7
67.05502	29.9
69.07065	31.3
69.25331	39.8
69.25761	23.5
71.04984	6.4
79.05502	17.3
81.07060	55.1
83.08615	9.6
91.05495	22.4
93.07030	42.0
94.07384	5.4
95.08604	100.0
97.10213	6.5
98.21542	9.1
105.07021	43.2
107.08590	75.6
109.10159	77.4
111.08109	5.9
113.09619	8.8
117.07075	6.7
119.08566	58.3
121.10139	49.9
123.11710	32.0
124.06921	4.9
125.09689	7.7
127.11192	20.2
131.08577	14.9
133.10143	52.5
135.11679	51.4
137.13242	12.5
145.10100	30.3
147.11714	58.9
149.13284	23.5
159.11702	28.1
161.13287	52.0
163.11197	5.0
163.14761	8.2
166.57426	5.2
173.13284	14.3
175.14835	14.7
187.14850	17.7
189.16393	35.9
191.17851	7.2
201.16353	32.7
203.17966	50.6
215.17905	17.0
217.19606	12.4
219.17464	10.9
229.19583	5.4
233.19073	11.6
251.96991	5.4
423.36169	35.2
441.37479	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	CHEBI:67942
Peak:m/z	Relative Intensity
52.13018	1.5
53.03928	2.5
55.05510	17.7
57.07068	8.6
63.51378	1.7
67.05503	26.4
69.07069	25.1
70.85105	2.2
70.85439	3.3
71.04984	1.9
79.05476	13.0
81.07056	100.0
83.08615	7.8
85.06532	3.1
87.04468	6.1
91.05472	11.0
93.07038	28.2
95.04979	2.0
95.08604	99.1
97.06525	22.8
97.10152	9.1
100.39763	1.8
105.07028	18.4
107.07871	2.8
107.08595	53.1
109.10152	55.0
111.08066	3.2
111.11731	6.4
119.08571	30.0
121.09318	3.4
121.10146	48.0
123.08076	5.3
123.11704	49.6
124.12011	1.9
125.09657	3.5
129.09760	1.6
131.08554	4.6
133.10133	22.9
135.11694	45.6
136.12012	1.8
137.13255	34.3
139.11183	2.9
145.10146	5.5
147.11687	20.5
147.35904	1.8
149.13252	17.1
151.14819	3.7
152.02583	1.7
159.11661	9.1
161.13258	23.0
163.14798	18.1
165.12721	4.4
165.16447	3.6
173.13228	4.5
175.14795	10.7
177.16380	7.3
179.14397	9.3
186.95596	1.8
187.14850	5.7
189.16377	19.0
191.17934	65.3
201.16452	3.6
203.17964	21.9
205.19540	4.5
207.17418	8.6
213.16345	1.9
215.17938	2.6
217.19507	17.5
229.19513	2.1
231.21068	5.6
235.16917	3.0
242.00917	1.8
243.21187	2.5
257.22684	3.4
269.22650	2.6
274.79202	2.0
303.94577	2.0
327.30453	46.3
328.30960	2.9
345.31491	15.6
358.73196	1.8
405.35217	3.1
423.36581	9.1
424.36304	2.0
441.37323	52.8
442.37265	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03941	3.0
55.05518	11.4
56.05017	2.1
56.96565	2.2
57.07074	25.5
59.05001	2.9
61.02959	2.3
67.05505	25.5
69.03457	2.2
69.07064	24.4
69.31825	2.3
71.04938	2.3
71.08627	31.9
71.59573	3.1
77.03895	2.2
79.05476	10.9
81.07057	44.8
83.08629	14.5
84.04502	100.0
85.02898	14.6
85.06536	6.1
85.10194	12.5
89.06033	23.6
91.05472	16.0
93.07047	34.7
95.04967	5.4
95.08609	69.8
97.10164	7.1
103.03938	11.5
103.05467	3.2
105.07034	26.8
107.08587	50.3
109.10164	43.5
110.06013	2.2
111.08080	6.3
111.11745	2.8
113.09597	3.8
117.06994	4.3
119.08588	37.6
121.06496	22.9
121.10142	39.0
123.11695	18.5
126.05511	31.4
131.08568	10.7
133.08647	12.7
133.10136	27.0
135.11696	34.9
137.09587	2.9
137.13235	5.7
145.10138	14.8
147.08044	3.8
147.11688	22.7
149.01183	3.7
149.09538	2.3
149.13292	24.7
150.05431	2.6
150.50446	2.1
156.03607	3.9
157.10117	4.8
159.11703	19.3
161.13245	22.5
163.14856	23.4
165.09100	11.4
165.12778	2.2
165.59363	2.1
168.06552	3.2
171.11674	3.5
173.13263	11.7
175.14809	18.9
177.11292	3.2
177.16402	11.1
179.14250	4.9
185.13239	3.1
186.07623	17.5
187.14847	8.4
189.16341	15.9
191.14247	4.9
191.17932	36.2
192.18323	2.4
199.14857	3.2
201.16379	13.3
203.17921	19.5
204.08701	15.9
205.15923	3.2
205.19528	12.0
207.17444	7.4
209.11725	2.8
213.16432	4.0
215.17920	17.4
217.19504	9.9
219.17465	8.3
221.18948	2.6
227.18054	3.0
229.19528	4.3
231.21048	3.8
233.19002	15.2
239.23651	5.2
243.21133	4.9
247.20528	8.9
257.22372	3.4
266.14612	8.2
271.51334	2.4
275.15155	3.4
286.65939	5.3
291.23297	5.3
315.17969	7.6
395.36371	3.0
405.35141	6.7
423.31561	3.1
423.36307	45.9
424.36624	6.0
439.76141	2.3
441.32324	3.3
441.37375	33.8
442.31696	7.5
450.99292	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	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34594	1.7
53.03945	1.9
55.05509	12.4
57.07071	6.0
67.05504	27.6
69.07070	20.7
69.66880	4.3
69.67286	10.3
71.08627	3.7
79.05493	15.9
79.34200	1.6
81.07059	100.0
82.07359	2.3
83.08624	14.1
91.05476	9.7
93.07043	34.5
95.04957	2.6
95.08611	87.3
97.06533	20.5
97.10174	9.9
105.07030	16.0
107.08601	47.8
109.06512	2.6
109.10162	53.1
111.08086	3.1
111.11710	5.0
119.08582	28.2
121.06512	3.0
121.10147	41.9
123.08047	4.7
123.11713	46.5
125.09599	2.8
131.08568	2.5
133.10127	21.3
135.11694	40.7
137.09657	2.6
137.13252	29.0
139.48149	1.7
145.10094	5.5
147.11707	18.7
149.13263	17.0
151.11160	4.2
151.14841	3.7
159.11757	3.5
161.13272	22.8
163.14839	17.2
165.09183	2.0
165.12808	2.6
165.16444	2.3
173.13297	5.0
175.14818	11.1
177.16402	8.7
179.14290	9.4
187.14870	4.1
189.16406	18.1
191.17957	60.3
201.16377	3.5
203.17960	21.0
205.19560	5.4
206.48318	1.7
207.17448	5.3
215.17986	2.8
217.19498	15.7
231.21080	3.7
239.50021	1.6
257.22556	3.0
327.30475	44.4
345.31558	16.4
391.96448	2.2
423.36203	2.6
424.37070	2.0
441.37650	37.1
442.37082	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	441.3727
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05499	19.9
59.04990	5.7
61.22006	6.1
61.80760	5.7
63.22593	5.4
65.09319	5.5
65.67016	6.2
66.11999	6.0
66.95189	6.2
67.05494	42.7
68.00293	5.6
69.07065	35.9
69.07375	5.9
71.04976	8.8
75.29148	7.0
78.42700	6.3
79.05476	19.1
81.07059	68.0
83.08601	14.6
90.37141	5.7
91.05464	19.5
93.07054	61.1
93.95805	5.5
95.04942	5.6
95.08601	100.0
97.29939	6.3
98.20734	14.1
99.08115	6.1
105.07030	49.7
107.08588	74.3
109.10147	81.5
111.11745	7.8
117.06962	10.5
119.08577	71.1
121.10143	53.9
123.11685	27.6
127.11198	17.6
131.08539	16.5
133.10098	49.8
135.11694	47.4
137.13254	14.5
145.10112	24.1
147.11694	56.7
149.13254	16.2
157.10208	8.6
159.11717	16.2
161.13280	34.0
163.14792	11.8
173.13286	14.0
175.14819	14.6
177.16385	11.0
182.75688	5.8
187.14835	18.6
189.16423	23.6
191.18031	10.6
201.16359	29.8
203.17953	66.8
215.18028	9.3
217.19559	15.8
219.17386	11.9
284.77951	6.1
355.29370	7.8
423.36398	48.0
441.37131	26.7
457.16611	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	441.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.05518	14.4
57.03430	2.2
57.07065	7.2
59.03869	1.6
67.05505	18.3
69.03432	2.7
69.07066	27.2
69.70061	10.3
71.04966	3.7
71.08627	12.0
79.05495	9.2
81.07053	27.8
83.04969	2.4
83.08607	10.4
85.06534	2.5
91.05453	9.3
93.07044	15.4
95.04984	2.8
95.08612	23.2
97.06493	3.1
97.10139	3.1
98.20779	1.6
99.08089	11.9
105.07020	8.8
107.08572	16.8
109.06547	10.5
109.10158	12.7
111.04401	2.3
111.08091	2.1
119.08587	11.8
119.97018	1.6
121.06534	3.0
121.10128	12.9
123.08061	39.4
123.11685	2.9
131.08548	3.8
133.10112	11.5
135.08047	11.0
135.11681	5.6
137.09601	4.3
137.13222	1.6
145.10106	4.5
147.11681	3.6
148.19505	1.6
149.09660	4.0
149.13220	2.9
153.12733	4.6
155.10706	2.3
159.11685	3.9
161.13277	4.0
163.14807	2.4
165.12738	2.3
167.14375	1.7
171.11635	1.8
175.14816	2.0
177.12706	1.8
179.14297	49.8
189.16385	3.4
191.14304	5.7
193.15926	3.5
233.19000	2.3
251.19972	12.7
269.13531	10.3
275.20187	2.0
293.21268	8.1
293.28314	4.3
303.26855	16.9
321.27936	3.4
331.26334	53.5
332.26846	1.9
349.27383	65.1
350.27502	3.1
355.20010	1.6
405.29840	5.8
423.31039	100.0
424.31329	6.5
441.25668	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
59.05003	0.6
60.60795	0.5
67.05491	1.2
69.03455	0.6
69.07046	1.5
69.08942	0.4
70.06551	0.4
71.18530	0.9
79.05509	1.1
79.44788	0.4
81.03403	0.8
81.07059	1.3
83.70730	0.4
85.02878	0.7
91.05459	1.1
93.07043	1.3
95.04956	0.4
95.08622	1.1
97.06547	0.6
105.07019	1.2
107.04984	0.8
107.08604	1.2
109.06510	0.5
109.10159	0.7
109.90025	0.5
113.30459	0.4
119.08565	1.2
121.10107	0.6
123.09894	0.4
123.11690	0.5
127.89913	0.5
133.10103	1.0
145.06445	0.6
145.10036	0.5
147.11549	0.5
153.38991	0.4
161.09657	0.5
165.09100	1.2
203.05344	0.8
225.87956	0.5
228.08759	0.5
231.10255	0.5
255.11206	0.8
256.11719	1.2
261.18372	0.7
270.13086	0.5
279.19312	0.7
315.13333	3.7
316.13757	9.1
381.36554	0.5
399.17517	0.5
441.24603	100.0
442.24875	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
53.03922	0.3
55.05500	0.5
57.03429	0.5
67.05486	0.8
69.03420	0.8
69.07063	0.6
70.06574	0.3
70.26259	0.3
79.05499	0.6
81.03416	0.6
81.07040	1.0
85.02907	0.5
85.06510	0.3
91.05477	0.8
93.07033	0.9
95.04942	0.5
95.08617	1.0
97.06540	0.3
98.21568	0.4
100.11248	0.3
105.07034	0.6
107.04948	0.6
107.08588	0.6
109.02869	0.5
109.06507	0.3
109.10141	0.8
119.08562	0.7
121.06509	0.3
121.10146	0.5
123.08091	0.3
127.03905	0.9
128.07120	0.3
131.08511	0.3
133.10146	0.3
135.11668	0.7
137.09592	0.6
145.10150	0.3
151.07530	0.3
159.11705	0.3
165.09155	0.5
167.07028	0.2
170.15422	0.5
175.14835	0.7
186.70914	0.2
189.12820	0.3
191.03749	0.3
193.04814	0.3
193.15863	0.3
203.05286	5.2
208.37279	0.3
229.27126	0.3
261.18301	2.0
269.71899	0.2
279.19351	0.9
325.71201	0.3
337.21231	0.3
344.51749	0.3
356.62393	0.3
441.24603	100.0
442.24957	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	15.6
55.01863	12.3
55.05500	25.4
57.03428	11.4
57.07075	9.1
61.02930	8.1
67.05503	34.1
67.32619	5.0
68.99784	10.9
69.03432	78.7
69.07072	39.7
69.34310	4.4
69.34614	51.2
70.06580	8.5
71.04991	12.6
79.05495	28.1
81.03413	71.9
81.07050	45.5
82.80997	5.9
83.04978	23.4
83.08617	15.6
85.02903	74.1
86.09705	20.9
87.00821	42.1
91.05495	35.6
93.07033	44.3
95.04967	28.5
95.08609	53.9
97.02887	40.3
97.06528	17.4
98.20785	12.9
99.04449	20.1
101.34718	5.7
103.03934	14.1
105.01870	18.7
105.07040	43.1
107.05000	13.9
107.08594	56.3
109.02872	42.0
109.06515	18.8
109.10152	79.6
110.07150	15.9
111.04432	17.4
111.08126	9.0
117.06973	6.7
119.08582	88.7
121.06487	13.2
121.10136	100.0
123.04409	10.1
123.08080	16.2
123.11689	23.8
125.09630	10.1
127.03916	71.9
129.01826	12.5
129.06989	8.9
131.04832	5.6
131.08571	16.0
133.06517	6.1
133.10139	77.6
135.08023	13.9
135.11710	46.0
137.05960	14.2
137.09639	29.6
137.13286	7.6
139.03911	13.1
139.07425	6.1
139.11102	10.8
143.08571	6.9
145.10107	18.7
147.08037	7.9
147.11703	31.3
149.13290	25.9
151.11211	14.0
151.14780	9.0
157.10117	10.1
159.08018	7.5
159.11699	16.3
161.09567	11.3
161.13242	18.6
163.07487	6.5
163.11217	10.2
163.14807	8.4
165.16389	13.4
171.11635	10.7
173.13275	19.0
175.07651	7.6
175.11166	6.8
175.14838	90.6
177.16310	6.8
187.14755	9.9
191.14268	12.0
193.04956	9.1
193.15939	41.3
203.14343	8.7
205.15878	8.2
215.14191	7.1
229.15932	6.1
235.16953	8.6
245.15564	8.1
259.16922	7.8
277.17865	6.2
283.16888	7.8
287.03693	10.0
289.05283	17.2
301.18002	19.9
319.19144	7.6
323.03076	5.9
337.19946	13.3
355.21185	8.3
405.19394	9.1
423.20013	15.0
441.16812	29.1
444.14838	5.7
458.29977	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	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80937	0.8
55.05534	0.7
67.05493	1.3
69.03435	1.3
69.39793	4.4
69.40215	3.5
71.04974	0.9
81.07065	1.3
85.06532	0.9
88.86369	0.7
89.65833	0.8
91.05463	1.6
93.07054	1.0
95.08601	1.6
98.27443	0.7
105.07024	1.0
107.08634	1.4
109.10165	1.5
119.08601	0.9
129.06981	0.9
135.11685	0.9
151.12430	1.0
156.11778	0.8
160.84406	0.8
165.09171	3.1
183.42302	1.0
185.04259	1.3
193.12163	1.7
227.05165	1.5
243.04767	0.9
287.03745	7.0
355.17307	9.7
379.17120	1.2
397.18326	44.6
398.18646	1.4
423.15918	0.9
441.17328	100.0
442.17688	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55537	0.2
55.01859	0.5
55.05480	0.2
56.96552	0.3
65.28036	0.2
66.64906	0.3
67.05490	0.5
67.07660	0.2
69.03426	1.7
70.06580	0.4
71.05006	0.4
71.63367	0.2
73.02881	0.3
79.05466	0.4
81.03412	2.0
81.07053	0.6
83.04977	0.3
85.02905	3.1
87.00815	0.9
89.03934	0.4
91.05488	0.8
94.04198	0.2
95.04978	0.7
95.08620	0.4
97.02880	1.1
98.97564	0.3
99.04456	0.9
105.01861	1.0
107.08595	0.3
109.02897	1.9
116.07050	0.3
119.08613	0.3
122.03635	0.7
122.06044	0.3
123.04424	0.6
124.07582	0.6
125.08317	0.3
127.03930	2.9
127.04832	0.4
133.02853	14.6
133.10065	0.4
136.07658	0.3
137.05983	3.6
145.04948	0.7
147.04408	0.6
149.05980	1.1
150.03110	0.8
154.97905	0.3
159.02898	0.5
161.02351	0.3
163.03909	0.6
164.04161	0.3
165.05548	1.9
178.02620	8.6
189.05490	1.0
192.07730	0.3
193.04965	100.0
194.05293	1.8
203.07060	0.3
205.04921	1.9
206.05869	0.3
217.04955	0.8
227.07242	0.3
231.06676	0.6
235.06003	2.7
259.06085	1.2
279.13348	0.6
283.06082	0.4
301.07028	1.7
328.10144	0.3
405.08191	0.3
441.17389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76109	1.1
55.01883	2.1
67.59916	1.1
69.03426	2.0
69.07054	2.7
70.02952	5.5
70.06624	1.2
71.05568	2.5
74.99529	1.1
97.02917	1.7
98.97602	1.5
108.08134	1.2
113.65631	1.2
117.03394	2.2
118.06564	1.5
119.07316	2.8
120.07674	1.6
123.04457	2.7
126.99995	1.4
128.98671	1.3
134.06027	3.1
135.04361	1.4
135.06769	4.0
136.07147	2.4
139.03896	1.6
145.02914	2.7
147.04384	2.4
150.05542	3.4
152.07098	1.5
163.03923	4.6
177.01692	2.2
177.05533	4.8
185.04297	1.6
191.03195	1.6
192.03928	23.4
193.04716	13.6
212.15518	1.1
215.82578	1.2
216.06999	1.5
219.01833	1.3
224.08041	1.8
227.05212	1.7
240.10213	1.5
243.11087	1.6
253.10574	1.5
270.13293	2.4
271.04248	3.1
284.19278	1.1
290.99371	2.0
350.12521	2.2
352.13690	1.5
355.09958	7.0
378.11566	1.8
381.71786	1.4
396.12793	7.7
397.11053	56.3
398.11276	3.4
406.10886	1.4
413.15332	11.9
424.12155	1.6
441.10052	100.0
442.10223	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	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65554	1.7
56.96561	20.1
58.65442	1.7
70.19833	1.4
70.30274	1.6
71.28075	3.6
84.82197	1.7
84.96043	8.4
87.14764	1.4
95.99331	1.4
98.97581	88.4
99.48575	1.9
102.97066	2.1
108.39570	1.7
110.97573	22.2
116.98621	57.3
124.99081	1.9
128.98605	33.8
131.00114	2.7
134.99635	20.7
140.98566	9.9
143.00130	13.1
146.99660	20.4
152.98616	3.0
153.00662	2.8
158.99640	36.1
160.09650	2.8
160.86534	1.6
161.01245	18.1
165.00674	2.9
170.99658	25.4
177.00720	50.6
179.02315	3.4
182.99602	9.6
188.99019	2.5
189.00717	38.7
191.02197	2.1
195.01842	4.5
200.02177	1.7
201.00703	64.6
203.02263	2.1
207.01793	10.2
212.02412	2.2
213.00737	4.3
219.01781	59.3
224.02303	2.2
231.01729	7.4
237.02808	26.8
243.01770	20.5
244.77316	1.8
261.02811	100.0
273.02795	6.7
279.03873	78.2
291.03833	21.6
297.04919	4.5
302.05469	4.0
309.04871	4.2
321.04941	39.7
329.56912	1.8
333.04932	5.7
351.05914	7.0
381.06961	2.0
399.08020	4.2
441.09177	15.1
441.15048	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	440.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
55.05485	0.7
55.33299	0.6
69.03440	0.7
69.07063	1.5
70.06584	0.9
71.59585	0.8
73.07578	0.5
75.14168	0.6
75.59076	0.5
77.42297	0.7
80.37254	0.5
81.07030	0.9
85.02902	0.7
91.05444	0.9
95.04959	0.8
95.08572	0.7
96.04453	0.7
107.04934	0.7
124.07616	1.0
140.07042	2.6
145.51385	0.6
148.07555	4.4
163.35919	0.6
168.06531	2.9
170.76382	0.6
173.07129	0.9
198.09174	0.8
199.08727	2.9
213.10219	1.2
215.11801	1.3
225.10239	3.4
226.08678	1.3
227.08157	1.0
227.11740	1.8
236.31651	0.6
241.09665	0.8
243.11252	1.2
243.14948	0.8
255.11273	14.4
269.12869	3.9
271.14420	1.6
297.12402	4.3
315.13373	100.0
316.13776	1.6
335.15823	1.5
388.52118	0.7
440.22095	0.8
441.24634	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	440.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
55.05510	4.7
56.05040	4.2
57.03422	0.8
67.05168	1.4
67.05504	17.7
68.05842	1.1
68.27227	0.8
69.03426	1.4
69.07065	5.7
69.69946	6.1
71.04968	2.0
72.45535	0.8
79.05499	7.4
81.03404	3.8
81.07066	7.2
83.04979	1.7
83.08602	3.3
83.16061	1.0
84.04505	100.0
85.02905	2.0
85.04855	1.0
91.05474	6.7
92.05811	0.8
93.07047	7.6
95.04953	3.6
95.08602	8.7
97.02866	1.4
97.06503	1.4
97.10151	2.0
98.20670	0.9
102.05540	8.0
105.07031	5.4
106.07372	1.0
107.04949	2.1
107.08614	4.3
109.06483	1.1
109.10158	6.8
110.10495	1.5
117.06998	1.8
119.08573	5.0
120.08945	0.8
121.06463	1.0
121.10155	3.5
123.08082	0.8
125.09634	1.9
130.05005	70.6
131.08546	2.4
133.10123	5.4
135.08043	2.5
137.09604	2.3
139.11139	2.3
145.10165	2.0
147.11679	3.0
148.06052	7.2
149.09627	1.7
159.11668	1.4
161.09764	0.9
173.11757	1.9
180.13734	1.4
189.11224	1.3
193.12164	1.1
203.12778	3.2
257.18982	1.4
275.20084	9.9
293.21149	5.6
329.58887	0.8
341.81052	0.9
394.25931	2.2
440.26651	7.9
441.26981	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.3
57.03430	2.2
58.99575	6.7
67.05499	3.0
69.03414	4.5
69.86640	2.0
70.94557	3.3
72.53435	2.0
76.02219	14.1
81.07043	1.9
84.04515	2.4
84.44276	2.2
85.02898	5.3
86.99056	4.2
91.05446	1.8
93.07018	3.9
94.25933	1.9
97.02927	2.8
98.97587	3.8
100.02185	11.6
102.03759	2.0
112.07548	2.2
116.98581	2.6
122.06084	2.2
123.04426	2.0
127.03846	2.1
136.03941	3.2
136.07603	3.1
138.05420	3.3
142.03226	2.0
146.02718	9.9
146.05988	20.2
147.04448	2.6
150.05563	2.4
164.07056	3.2
170.09660	2.5
170.99803	2.4
172.07610	3.8
175.08690	4.3
177.00714	2.1
186.09129	3.7
187.12376	2.0
188.03897	4.1
193.04947	8.5
196.07571	5.0
198.09177	7.8
199.08577	2.8
202.77856	2.0
210.09013	2.5
213.10223	15.7
214.08649	7.3
215.11772	6.2
217.09698	3.5
226.07185	3.7
227.08064	3.5
227.11835	3.5
235.10721	11.0
237.02811	3.2
239.03398	2.3
240.08923	4.0
241.09720	46.5
242.08136	7.3
242.10414	4.1
243.11349	31.0
254.06305	3.0
255.11232	7.4
257.12949	2.6
258.12384	15.1
259.10748	32.3
260.08969	3.8
273.12280	3.5
277.11902	2.4
283.10687	13.7
284.09143	3.5
285.12338	18.1
286.09448	3.9
288.80511	2.3
299.08588	4.5
301.11813	42.9
302.10193	3.4
303.13455	5.7
317.13693	34.2
318.12708	6.5
319.12878	11.9
360.13791	6.7
362.11609	12.0
362.70642	2.0
363.10016	6.4
378.15076	2.0
404.07712	3.0
404.12778	41.0
405.11044	11.5
422.13803	100.0
423.11963	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.33447	1.9
55.05503	10.9
57.07074	5.6
62.31872	2.0
63.75729	2.3
67.05507	18.2
68.19849	1.9
69.06718	3.8
69.07067	44.3
69.86396	13.2
79.05497	7.3
81.07051	31.2
83.08618	12.5
88.78835	1.9
91.05468	8.2
93.07051	16.0
95.04992	3.1
95.08601	36.3
95.27769	1.9
97.10207	2.6
99.08105	2.2
100.52083	2.2
102.12671	2.0
105.07029	17.9
107.08600	19.2
109.09447	3.2
109.10159	35.7
111.08120	2.1
111.11701	3.4
117.07030	4.2
119.08580	26.9
121.06554	2.2
121.10135	22.1
123.08091	2.6
123.11706	10.0
125.09654	2.1
129.07013	2.5
131.08575	6.2
133.10150	18.8
135.07999	10.5
135.11708	11.1
137.13309	2.7
143.08580	4.6
145.10178	11.3
147.08054	2.5
147.11670	16.2
149.13277	4.5
149.68431	2.3
155.08499	2.3
157.10098	7.7
159.08098	3.0
159.11646	11.9
161.09636	12.5
161.13249	7.7
163.14789	2.8
169.10103	3.1
171.11740	7.9
172.08786	2.7
173.09601	8.9
173.13289	7.8
175.11148	16.1
175.14824	3.6
177.16383	2.8
183.11688	4.9
185.13275	4.2
187.11272	4.2
187.14815	5.8
189.12796	5.9
189.16394	7.7
191.14093	2.3
191.17905	2.8
197.13231	3.5
199.11258	3.6
199.14832	5.5
201.12778	9.3
201.16408	3.6
203.18018	3.0
209.13272	3.7
211.14867	3.7
213.12741	3.3
213.16394	3.6
215.14336	3.3
219.87163	2.2
225.16422	5.2
227.14348	2.8
229.15848	4.0
229.19681	3.0
235.16949	7.9
237.16418	4.6
239.18004	2.5
241.15872	3.0
243.17459	7.7
255.17415	4.3
261.18600	5.6
269.19019	6.5
269.22769	3.3
273.18539	4.3
284.14188	2.2
285.22113	3.1
287.20041	100.0
288.20438	2.7
293.22891	2.4
301.21509	2.8
311.23810	3.5
315.23196	5.8
317.14935	2.2
329.24640	19.8
339.26871	3.2
357.27780	6.7
421.34662	15.1
439.35733	50.1
440.35663	2.5
446.93924	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	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05511	13.1
57.07057	8.7
65.87768	7.4
67.05506	34.9
69.07062	43.2
71.05023	8.6
79.05491	21.2
81.07056	73.8
83.08617	12.1
89.06039	21.9
91.05482	18.1
93.07048	62.2
95.08604	76.3
97.10171	7.7
99.51975	7.8
105.07019	63.9
107.08590	63.9
109.10145	86.4
117.07082	8.3
119.08593	66.8
121.10141	65.5
123.11729	34.1
129.07019	12.3
131.08575	17.6
133.08591	13.8
133.10115	35.9
135.08086	9.8
135.11694	41.3
137.13280	9.1
145.10129	29.0
147.11696	29.8
149.13319	24.1
153.09145	10.7
157.10117	20.3
159.11700	69.8
161.13243	18.7
163.14841	8.8
169.10188	9.3
171.11679	8.5
173.13292	27.0
175.14886	16.2
181.12228	11.2
187.14854	19.1
187.16621	7.7
189.16373	15.9
194.58421	7.4
195.13889	13.7
199.14864	16.9
201.16353	9.6
203.18027	12.0
209.15256	14.8
213.16327	9.1
215.17975	19.6
217.19608	10.6
229.19507	20.7
231.21187	14.3
239.14992	15.4
240.15118	9.1
241.19322	7.3
257.22580	8.8
411.12131	7.1
421.34631	20.9
439.29367	9.5
439.35754	100.0
440.35706	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	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.6
55.62129	5.0
57.14802	5.3
58.46827	5.0
67.05499	20.7
69.07074	18.8
69.29931	54.1
69.30340	9.0
79.05499	15.3
81.07064	27.6
83.08614	13.4
89.06081	6.3
91.05484	16.9
93.07046	22.3
95.08601	77.4
97.06551	10.7
98.20631	7.2
105.07046	32.6
107.08601	49.7
109.10147	37.0
119.08588	62.9
121.10120	33.0
123.11724	8.8
133.10146	43.7
135.11722	28.8
142.75511	5.6
145.10139	14.2
147.11655	34.8
149.13263	18.3
153.09100	9.1
157.10187	6.0
159.11674	12.1
161.13303	14.9
163.14803	13.0
165.12798	6.5
168.68497	7.2
171.11697	6.7
173.13316	6.9
174.10878	6.0
175.14850	17.1
177.16489	7.6
185.23508	6.3
189.16396	42.8
191.17923	60.3
199.14850	8.3
201.16388	8.4
203.17957	100.0
205.19553	10.4
217.19539	19.0
231.21207	6.5
249.18538	14.7
439.36096	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	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01852	4.5
55.05508	22.3
56.96554	3.2
57.03415	5.2
59.04992	2.6
61.02910	1.8
65.03949	1.9
67.05500	54.9
69.03410	8.0
69.07065	15.1
69.93929	6.6
69.94336	4.1
71.04970	5.4
71.08628	30.4
79.05064	3.0
79.05490	42.1
81.03420	19.4
81.06586	3.0
81.07051	55.7
83.04967	4.3
83.08608	12.7
85.02896	20.8
85.06538	3.5
87.97116	1.7
91.05482	26.7
92.92718	2.2
93.07043	52.8
94.91525	1.7
95.04973	13.2
95.08595	33.2
97.02866	6.5
97.06540	8.7
97.10162	8.5
99.04457	2.7
99.08089	18.6
105.07013	21.3
107.04974	12.8
107.08579	29.3
109.02889	9.3
109.06506	3.8
109.10155	20.9
111.08051	4.4
113.09604	3.0
117.06976	3.2
119.08586	18.8
121.10112	28.7
123.08043	2.5
123.11696	3.7
125.09620	6.4
127.03889	14.1
131.08537	5.3
133.06509	2.2
133.10132	12.3
135.11681	33.1
137.09517	3.0
141.09125	3.1
143.08516	4.6
145.10118	4.2
147.11668	7.9
149.13306	12.5
151.11200	10.3
157.10149	4.4
159.11665	7.0
161.13245	11.5
163.11179	5.5
165.12706	2.7
175.11102	2.4
177.12793	4.0
179.14301	100.0
185.13171	3.2
189.11153	5.3
189.12738	2.1
193.12265	3.6
195.13759	3.3
204.06609	1.8
211.13187	3.5
221.15186	2.6
235.16998	3.5
259.20493	4.6
269.13620	5.3
277.21619	51.0
278.22061	2.4
283.12073	3.4
358.16486	3.1
380.18478	2.8
421.25339	4.2
439.20364	3.3
439.26535	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	439.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89183	2.9
53.03940	13.2
53.45728	3.1
54.79357	3.0
55.01874	12.6
55.05499	12.9
57.03437	8.2
57.07051	4.5
60.78294	2.9
61.02921	6.7
67.05495	13.3
68.99801	8.4
69.03427	65.1
69.07067	18.6
69.31210	22.0
69.31631	12.1
71.01395	3.7
71.04987	12.4
73.02927	7.2
79.05484	10.7
81.03418	60.5
81.07046	15.4
83.04971	13.6
83.08616	6.0
85.02908	83.8
85.06544	6.2
87.00830	36.0
90.64667	3.5
91.05483	14.3
93.07038	15.1
95.04970	14.8
95.08608	24.3
97.02886	54.0
97.06539	12.3
99.04436	20.8
103.03917	6.5
105.01870	22.5
105.06995	20.1
107.04938	6.1
107.08591	50.2
109.02868	46.1
109.06512	8.3
109.10124	13.6
115.03910	6.8
117.01862	7.2
117.07028	5.7
119.08595	36.5
121.06503	19.1
121.10129	30.6
122.06010	10.1
123.08071	9.5
125.06021	5.0
127.03917	79.6
129.01849	6.5
130.07796	3.3
131.08606	21.6
133.02878	5.4
133.06473	5.5
133.10139	63.2
133.82904	2.9
134.03149	5.4
135.04416	4.0
135.08052	13.8
135.11697	19.5
137.05997	8.8
137.09631	9.0
139.03949	4.9
143.03343	4.5
143.08562	11.0
144.09279	3.2
145.04933	14.6
145.06581	3.7
145.10129	13.5
147.08051	5.9
147.11708	16.0
149.02336	7.4
149.09601	23.6
149.13261	10.1
150.02658	5.5
151.03889	8.0
151.11185	5.5
152.07063	3.5
153.01817	35.0
154.02148	12.5
157.10156	5.2
158.10873	11.1
159.02936	15.8
159.11696	3.9
161.09578	5.7
161.13239	6.4
163.07556	7.8
163.11188	8.3
163.14853	17.4
165.05507	7.6
166.06152	13.1
167.01643	7.2
167.03416	6.8
167.06680	9.9
171.11736	3.6
173.13254	64.3
175.11180	8.1
175.14824	21.7
177.12770	5.4
187.11095	4.5
189.03932	3.5
189.12779	10.0
191.14304	100.0
195.02858	3.3
201.03879	7.5
201.12791	6.6
203.14372	11.0
209.15340	6.4
213.03963	5.1
215.14394	5.4
219.13777	5.0
230.05190	4.1
231.05077	10.4
233.15425	5.8
234.02850	5.0
245.15260	3.7
262.02567	4.7
272.00589	3.2
275.16431	4.5
276.03864	4.5
281.15353	5.3
299.16394	11.3
304.03415	4.6
317.17584	7.0
332.02838	10.0
335.18777	4.2
349.03769	11.4
350.04114	42.9
351.03647	4.9
353.19681	15.8
368.05075	8.9
376.05417	4.4
386.04102	3.7
391.49142	3.7
403.17862	4.1
421.18478	14.0
422.06152	14.2
439.08289	5.9
439.19730	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76041	4.7
53.03934	21.7
55.01857	8.9
55.05505	20.4
57.03429	10.3
61.02925	6.0
65.03934	6.0
67.05506	25.4
69.03431	70.8
69.07060	39.1
69.53032	44.3
71.04984	19.3
73.92854	5.0
79.05505	25.7
81.03419	80.8
81.07067	34.5
83.04969	21.1
83.06109	17.3
83.08613	10.2
85.02899	63.8
85.06573	6.9
87.00831	19.6
91.05473	23.5
93.07032	47.7
95.04984	18.8
95.08598	34.3
97.02888	54.0
97.06538	11.7
99.04476	34.6
103.03965	5.4
104.03497	5.3
105.01878	9.3
105.07041	34.1
107.08590	96.2
109.02869	52.9
109.06504	12.8
109.10149	48.2
111.08072	7.8
117.07014	7.4
118.39117	6.5
119.08575	34.1
119.84050	4.8
121.06460	7.4
121.10155	81.9
122.10470	5.3
123.08079	23.0
123.11684	14.4
125.09674	9.9
127.03912	100.0
131.08554	21.9
133.10132	52.3
135.08058	23.6
135.11687	52.5
136.06206	16.1
136.63850	4.6
137.05884	7.3
137.13234	8.9
142.55170	4.7
143.08530	8.4
145.10126	18.7
147.08044	10.1
147.11659	10.8
149.09618	34.3
149.13242	14.2
151.11208	7.4
153.01785	4.9
156.09253	6.6
158.10893	20.2
161.13258	7.2
163.14810	85.2
167.10658	6.9
173.09572	5.7
173.13269	79.1
175.14731	6.2
187.14778	6.6
189.12756	8.7
191.14267	66.5
203.14360	6.1
209.15286	31.6
213.03931	22.6
215.14362	6.2
227.14099	6.4
231.05014	23.6
299.16312	6.9
317.17679	5.3
335.18710	7.7
409.01691	5.8
421.18515	20.4
439.15051	10.4
439.20502	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	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.1
55.01865	3.8
55.05513	3.9
59.05005	3.2
61.02916	3.9
66.43536	2.5
67.05497	9.3
69.03418	7.6
69.07076	6.2
70.31060	2.6
71.04988	5.6
71.08635	39.8
71.59186	5.5
72.13937	2.9
79.05528	3.2
81.03419	7.3
81.07065	4.9
85.02901	16.1
87.00831	6.7
91.05498	7.2
93.07082	5.6
95.04993	4.6
95.08599	5.9
97.02921	8.1
99.04445	4.1
99.08100	100.0
105.01866	7.3
105.07016	4.3
107.08617	5.9
109.02901	6.7
116.98644	3.1
123.04452	2.9
127.03928	6.7
129.06950	3.2
129.12756	10.5
133.06583	3.1
135.11731	3.4
173.15404	55.1
176.10686	4.7
251.12526	3.1
272.20187	12.7
300.80582	3.0
313.96436	3.7
390.34192	3.5
420.63477	3.3
438.29010	27.9
439.23065	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	439.1425
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
52.86457	0.4
57.11705	0.4
66.71040	0.4
68.05419	0.4
71.57408	0.9
79.56480	0.4
94.93017	0.5
96.92242	3.4
103.02440	0.8
112.89600	1.4
133.03462	3.0
145.03477	0.5
151.04515	1.5
151.42709	0.4
161.02936	0.6
175.04541	1.6
185.04305	0.8
187.04526	0.9
201.06047	0.8
208.97250	1.6
211.04553	1.3
212.85138	0.4
217.05725	0.5
226.86804	0.7
242.96724	1.1
247.91330	1.2
277.08966	28.2
295.08728	3.3
365.10580	1.0
381.07544	0.5
439.14230	100.0
440.14478	2.9
458.06384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07369	2.0
55.01870	4.2
56.05027	9.3
57.03420	2.0
58.99585	16.6
61.01152	4.4
68.05041	5.7
69.07063	3.5
70.02946	5.9
71.21578	4.5
72.04525	5.2
73.01130	1.9
74.00302	3.0
74.00646	15.7
76.02225	27.7
76.03998	5.3
80.05017	6.9
81.05810	2.7
81.82285	2.0
82.06606	2.3
83.06101	7.4
84.04506	100.0
85.01125	37.7
85.02902	6.0
85.04007	5.8
86.00650	33.9
86.99055	76.2
88.02217	3.7
89.00650	3.8
95.04938	4.9
96.04472	5.4
97.01109	9.1
97.06532	21.1
98.00638	2.5
99.05554	3.2
99.98772	2.3
100.02199	5.2
102.03773	15.6
102.05547	17.1
108.04483	2.5
109.07674	5.8
112.02189	33.4
112.03939	3.7
113.06038	3.0
114.03735	13.5
114.05551	4.2
116.01677	24.2
124.02156	2.7
124.03928	2.0
124.07594	2.6
127.02116	6.7
129.06610	6.6
130.03270	17.0
130.04994	37.4
131.04443	2.5
132.74066	2.0
137.08342	2.9
140.01653	3.8
142.03233	21.4
143.02734	35.3
144.01111	7.1
145.06035	2.8
153.06662	3.4
155.08159	5.7
156.06561	2.6
157.02550	2.3
158.02754	10.2
162.02188	15.7
163.03918	4.2
168.04770	4.9
169.04309	9.6
170.02725	2.5
170.06334	7.7
171.02251	7.6
177.03313	5.2
179.04855	10.7
181.06143	3.5
185.03748	2.9
188.03841	5.3
188.05632	2.2
188.07439	6.9
189.03288	98.9
196.04289	10.4
199.07121	2.5
205.06415	7.3
206.08453	5.1
215.04836	44.8
217.06412	14.8
224.03749	4.8
232.05106	2.5
233.05876	15.3
243.04413	2.5
245.05969	3.2
257.09567	7.7
269.06082	2.5
287.06976	18.8
291.10056	35.2
309.11227	3.1
345.07321	4.6
345.11118	2.3
362.09982	5.2
420.14215	3.1
431.59964	2.4
438.15314	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	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.2
56.05024	9.8
56.36649	2.2
57.03417	3.3
57.44934	2.3
58.99588	16.9
60.04517	2.1
61.01127	2.8
62.00670	2.5
67.05492	4.4
68.05013	7.9
69.03441	3.2
69.07066	4.3
70.02952	4.4
70.11798	4.4
70.12198	5.9
71.04993	2.9
72.04505	7.5
73.01126	2.4
74.00657	14.9
76.02226	34.7
76.04001	6.9
80.05007	8.3
81.05779	2.8
83.06101	5.1
84.04504	100.0
85.01132	29.9
85.02902	4.1
85.04025	6.3
85.04787	2.3
86.00653	32.8
86.61246	2.2
86.98543	2.7
86.99050	54.6
87.01439	2.0
88.02222	6.8
89.00620	3.3
95.04971	5.0
97.01112	10.2
97.06531	49.7
98.06065	5.9
99.02645	2.9
100.02179	3.1
102.03742	17.8
102.05514	12.0
108.04472	4.4
109.07623	3.8
112.02182	26.8
112.03943	5.0
112.07619	4.6
114.03760	20.7
114.05521	6.9
116.01678	31.3
117.99553	3.0
126.05542	3.5
127.02149	5.4
129.06599	5.2
130.03215	13.8
130.05009	27.1
131.04529	4.0
132.01178	3.1
137.08340	4.4
140.01709	3.4
140.80203	2.7
142.03214	21.3
143.02748	28.8
144.01096	9.7
145.06099	5.2
153.06572	3.4
154.06789	4.3
154.72006	2.3
155.08124	9.2
155.38342	2.0
156.06555	3.6
158.02701	6.5
162.02217	17.6
163.03944	4.4
168.04866	2.6
168.06526	3.8
169.04366	6.9
170.02747	4.5
170.06326	7.7
171.02264	4.3
171.07201	3.1
173.09222	3.1
175.01723	3.4
177.03288	10.1
179.04869	11.2
181.06136	4.3
188.05663	2.1
188.07397	8.5
189.03293	76.3
196.04262	9.3
199.05466	2.5
200.07806	2.3
201.08875	2.5
202.04106	3.6
205.06413	6.6
206.08438	6.6
215.04865	32.5
217.06432	34.2
224.03761	3.3
231.04242	2.6
232.05193	2.6
233.05870	9.9
241.06453	2.9
257.09683	14.0
287.06860	11.5
291.07077	4.4
291.10120	49.9
308.09061	2.6
345.07285	3.1
345.11243	2.8
363.12152	2.5
420.13876	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77636	0.7
55.01864	1.5
55.05477	0.7
56.96536	0.7
67.01849	2.4
67.05489	1.2
68.99793	3.4
69.03413	2.1
69.79713	4.2
70.06577	2.1
74.00662	6.8
79.05501	1.5
81.03399	2.9
81.07046	1.3
84.04496	1.9
85.02914	0.7
86.09713	1.0
88.03487	0.9
88.03994	11.5
91.05457	1.2
93.07094	0.7
95.04954	2.4
97.02894	1.9
98.21472	0.8
98.97607	1.5
100.02187	2.5
102.74979	0.6
105.07020	0.9
107.04952	1.6
108.44238	0.7
109.02869	2.4
109.10157	0.9
111.00816	1.5
111.04433	1.1
113.02345	3.3
116.98592	1.0
118.99882	1.7
120.01201	1.5
121.01080	1.6
123.04433	6.4
127.03906	1.8
130.05023	2.3
131.04501	0.8
134.06004	0.8
136.06180	14.5
137.05913	1.6
138.05527	0.7
139.03918	1.0
147.04439	1.5
148.02206	1.2
149.00563	9.2
149.02335	1.3
153.01830	100.0
154.02142	0.8
162.05498	1.2
163.02260	0.6
165.00058	3.0
166.00920	0.7
167.01622	1.1
167.03386	1.4
168.14215	0.6
169.03185	23.0
171.02867	2.3
176.01660	7.6
177.03275	2.3
178.00876	0.7
180.02425	2.7
181.03224	1.8
193.01855	3.7
193.12303	1.2
194.04463	7.8
195.01109	1.1
195.02840	0.8
195.04659	0.7
197.02654	1.2
201.00563	0.7
203.04974	1.6
204.10272	0.7
206.06668	1.6
207.01093	1.1
208.04283	18.4
209.02765	1.0
211.02005	0.7
218.00458	0.7
220.04282	0.7
222.05806	0.9
222.75674	0.7
232.01889	1.5
233.02660	1.7
239.02557	1.0
240.05006	1.2
243.01120	1.2
254.04834	64.1
259.00647	2.9
260.01413	3.0
261.02069	0.9
268.06464	2.1
269.04822	3.6
271.00610	4.5
275.03726	5.6
286.04617	1.0
286.07446	7.7
287.00107	2.5
288.00726	1.5
291.08365	5.2
293.04776	6.0
299.00079	10.3
301.07028	2.0
316.00345	20.1
317.00647	0.7
317.96631	0.7
321.04340	6.7
331.02695	19.6
331.48514	0.7
333.04236	10.3
349.03824	5.2
356.05893	2.1
357.03781	0.8
363.10370	1.4
420.07547	3.5
438.08582	1.1
438.24869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63273	1.0
65.03923	2.5
67.01867	2.2
67.05495	2.0
68.99776	3.8
69.03416	2.1
70.06580	2.6
71.14683	2.3
71.15026	1.4
74.00665	2.0
79.05482	2.2
81.03430	1.7
85.02879	1.2
88.04002	1.0
91.05466	1.8
92.19247	1.0
93.03406	1.5
94.06565	1.7
95.04965	7.9
95.08567	1.4
97.02886	1.2
97.78316	1.1
105.03366	2.3
106.55598	1.1
107.04932	4.5
108.97440	2.8
109.02864	2.7
111.00800	4.1
111.02661	2.3
111.04417	3.0
119.08523	1.0
120.07951	1.0
121.01053	1.1
121.02872	7.3
121.06498	1.6
122.06001	3.0
123.02618	1.4
123.04424	2.9
123.06333	1.8
127.03905	4.6
133.02850	21.6
135.04399	2.6
136.06181	2.6
137.00533	2.0
137.05956	9.8
139.02116	2.6
139.03885	3.3
139.11246	1.4
149.00546	2.3
149.01035	1.3
149.02338	25.6
149.05963	1.5
151.02100	5.2
151.03891	14.3
153.01828	88.7
154.97968	18.0
155.01566	1.7
155.10625	1.4
163.03857	1.2
164.04645	2.1
165.00052	4.5
165.05469	14.9
166.06262	33.1
167.01611	22.0
167.03375	6.4
167.06882	1.1
169.03217	3.0
171.02864	6.5
172.99001	3.3
173.06017	2.1
173.67348	1.1
177.01802	3.6
179.01663	2.7
182.97469	3.9
183.01091	4.5
183.04582	1.1
184.99011	2.7
191.01588	2.4
193.03209	7.8
193.04813	1.7
195.01208	1.8
195.02884	10.2
197.02658	4.1
198.03377	1.8
200.98505	12.0
201.03769	1.8
201.05533	3.2
203.01653	1.7
204.04059	1.1
209.02690	1.2
213.05507	3.2
217.03244	2.1
218.00362	2.6
219.01140	3.3
221.02675	3.1
223.00569	2.2
229.04996	7.8
232.01909	1.9
233.02634	11.3
235.04070	1.1
241.04958	2.8
242.05606	1.5
245.02623	3.3
247.00607	7.9
248.01379	4.0
248.03816	1.1
257.04453	4.4
261.02203	15.7
263.03830	6.0
269.04822	3.1
271.00671	4.5
272.01508	1.1
275.03741	13.8
286.07431	5.6
288.98734	1.2
289.01657	6.7
293.04694	1.3
297.01825	1.2
303.03232	16.1
317.01065	2.2
329.04675	2.8
330.98898	1.9
331.02704	24.2
334.01334	1.2
349.03766	100.0
350.03946	2.5
357.04352	6.4
367.04901	20.5
375.05399	10.2
385.03882	6.7
403.04565	4.8
421.05899	20.9
438.08447	8.3
438.25229	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	17.5
55.01869	21.0
55.05509	30.8
56.96552	4.3
57.03429	5.8
59.04986	3.5
65.03943	4.7
67.05506	74.3
69.03429	33.2
69.07065	40.5
71.04984	13.6
71.08637	15.2
71.58936	5.4
73.40878	3.1
75.02737	3.1
79.05497	41.4
81.03420	68.6
81.07060	74.3
83.04972	7.9
83.08627	15.2
85.02898	15.1
85.06540	4.9
91.05474	49.7
92.05767	3.5
93.07043	40.4
95.01310	5.5
95.04967	17.3
95.08616	36.3
97.02880	13.9
97.06514	21.2
97.10152	11.4
98.45213	3.8
99.04471	13.8
99.08099	15.0
105.07030	68.3
107.04962	17.9
107.08572	19.4
109.02884	21.5
109.06520	8.1
109.10157	26.2
111.08054	5.5
117.07000	19.8
119.08579	30.0
121.06500	11.8
121.10138	13.4
123.08061	5.3
123.11692	9.3
125.09633	7.6
127.03912	29.6
129.07043	6.4
131.08533	26.2
133.06410	3.8
133.10132	41.2
134.51021	3.1
134.99710	4.1
135.08017	6.7
135.11674	15.1
137.09633	3.8
140.85822	2.9
145.06502	3.8
145.10088	24.0
147.08107	4.6
147.11685	23.5
149.02357	31.8
149.09625	9.2
149.13269	5.2
157.10123	3.5
159.11700	18.7
161.13245	3.6
163.11179	14.0
164.62856	3.6
171.11745	5.7
173.11682	4.3
177.12764	4.5
179.14368	6.3
181.12279	4.4
183.11679	6.2
189.11214	4.6
191.10538	3.9
193.04965	55.5
195.13693	3.5
197.13191	4.5
213.05530	4.7
227.12846	15.9
229.19504	4.3
247.20702	3.8
275.20041	60.1
291.95236	3.2
293.21121	100.0
294.21527	4.3
362.98907	3.9
419.22937	5.5
437.25027	42.2
437.34625	3.6
444.10968	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	437.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39648	2.6
53.03946	7.5
55.01875	16.6
55.05509	28.2
57.03426	8.5
57.07080	3.9
58.34044	2.4
59.05001	2.8
65.03954	4.1
67.05506	100.0
69.03431	15.9
69.07064	27.4
71.04990	9.3
71.59422	3.8
73.02904	2.6
79.05493	49.3
80.31375	2.4
81.03417	26.7
81.07058	73.8
83.04977	10.6
83.08620	17.7
85.02901	14.9
85.06567	3.3
91.05479	50.2
93.07047	54.7
95.04978	17.0
95.08602	42.7
97.02910	11.4
97.06532	17.1
97.10168	9.0
99.04458	7.2
105.07035	40.3
107.04958	14.6
107.08582	37.6
109.02921	12.9
109.06532	10.6
109.10150	50.3
111.04434	3.7
111.08112	7.9
117.07005	17.9
119.08591	30.7
121.06526	9.0
121.10156	25.0
123.04362	3.0
123.08103	6.9
123.11743	7.3
124.34496	2.6
125.05961	2.8
125.09634	10.1
127.03905	18.8
129.07013	6.9
131.08583	18.3
133.10146	23.6
135.08069	8.7
135.11674	29.2
137.09596	8.1
139.11218	3.6
143.08543	8.0
144.10287	3.2
145.06534	3.7
145.10126	26.7
147.08047	5.8
147.11670	19.4
149.09653	17.8
149.13223	5.3
151.07596	4.5
151.11292	3.1
155.08598	2.9
157.10100	5.6
159.08022	4.4
159.11697	13.2
161.09602	4.6
161.13304	7.3
163.11188	36.2
170.69096	2.8
171.11696	5.4
173.09546	3.2
173.11780	10.0
173.13300	7.1
177.12653	3.9
179.14345	6.0
181.12245	9.8
183.11716	6.5
187.11203	5.7
189.11304	4.7
197.13148	4.2
209.11729	3.7
213.12859	3.0
227.12756	45.9
229.19688	4.2
239.17932	3.7
247.20610	3.1
257.19000	3.9
275.20084	52.0
310.09683	3.1
365.40082	2.7
401.23071	4.7
419.24097	8.4
437.25214	28.6
438.25781	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	437.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71294	0.6
57.03444	0.7
65.03904	0.6
67.05508	3.5
68.99795	1.2
69.03427	2.0
69.07063	1.2
70.03265	3.4
70.06614	1.3
73.02919	0.6
79.05482	1.5
80.05009	1.9
81.07047	1.0
84.08141	0.7
85.02908	1.7
93.03409	1.1
93.05806	1.2
93.07036	1.0
94.06575	25.5
95.04956	2.7
95.07362	0.8
95.08614	1.1
96.04480	1.4
98.97607	0.8
103.05470	0.6
105.06985	0.9
107.04964	0.9
107.08611	0.7
110.02419	1.5
111.04463	1.0
112.03928	1.0
112.07557	0.8
113.31675	0.7
120.08077	1.1
121.02836	0.9
121.06522	1.5
122.06035	100.0
123.04440	1.6
123.06850	6.0
124.07572	1.3
127.03931	0.9
131.04980	0.7
133.02861	2.9
135.04387	0.8
137.05984	2.3
138.05531	0.9
139.03905	21.0
140.07063	11.8
149.02371	3.0
149.05960	1.6
151.02115	0.9
151.03900	1.2
151.06297	17.5
152.07076	17.7
153.01823	9.8
154.97984	2.0
164.62222	0.7
165.05499	2.0
166.06296	3.2
167.01660	2.3
167.07251	0.7
171.02861	0.8
174.09157	1.0
179.05779	11.2
180.06522	2.0
181.05003	0.7
182.08195	2.6
182.97551	0.8
188.07079	1.4
193.03181	0.7
195.02899	0.9
197.02704	0.7
200.07004	0.7
200.98650	1.2
201.00410	0.6
202.08611	4.1
208.06075	0.7
211.08366	1.6
212.09229	1.2
216.02869	0.6
219.01482	0.7
226.07104	8.3
228.10204	4.3
230.11732	0.8
233.02750	0.8
240.95195	0.7
245.12851	1.2
246.11328	2.5
255.11388	1.2
256.07413	0.7
256.09473	3.1
261.02237	2.3
263.03787	1.1
273.12357	33.7
274.10815	1.7
275.03851	0.9
275.09161	2.1
286.07208	0.7
291.13553	3.7
301.11832	31.3
303.03302	1.1
319.12891	8.2
331.02686	1.3
333.14410	18.9
349.03812	9.2
351.15540	16.0
361.13925	4.7
367.04987	2.0
375.05203	1.0
377.13470	3.9
387.12003	2.5
393.16614	1.8
405.12924	13.6
419.14334	3.9
421.06128	2.2
437.15466	12.1
438.08569	1.0
438.16138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36116	3.0
53.03940	5.2
55.05502	8.6
58.04035	3.4
59.06118	5.8
60.04503	6.8
65.03941	5.9
67.05503	9.7
69.03429	11.8
70.06592	5.2
71.58792	3.3
71.59144	4.3
79.05509	4.7
81.03436	3.5
83.04987	28.9
83.06092	13.5
83.63253	3.3
84.04504	80.1
84.08126	4.5
85.02913	10.9
89.03915	6.7
91.05492	6.4
93.03401	7.1
93.99663	3.3
95.04971	10.6
102.05544	13.9
102.68135	3.4
105.07025	13.2
107.04924	5.3
109.02853	3.7
111.04464	28.4
114.05608	3.0
115.05450	8.2
115.43156	3.0
117.03397	4.9
119.04967	4.6
120.08076	6.5
121.06515	3.3
123.04422	14.6
124.48973	3.4
126.05589	5.0
129.05463	4.8
129.06993	3.9
129.10306	3.5
130.06538	5.7
131.04915	6.3
131.29106	3.8
132.08145	3.5
133.06508	13.0
134.03619	3.9
134.06020	4.2
135.04430	22.2
137.06018	4.0
139.03925	19.0
143.04941	9.4
145.02840	9.9
145.06505	5.0
146.06024	7.9
147.04457	12.0
148.07585	10.3
149.05975	6.4
150.05542	4.4
151.03915	3.7
154.06552	4.6
156.08058	5.3
157.04999	4.7
158.06003	8.6
160.07625	5.4
161.05972	35.5
162.03203	5.1
162.05504	33.0
163.03911	66.1
163.06256	5.9
164.07054	12.4
167.05768	3.8
167.07059	14.7
172.07602	8.4
174.05556	11.1
175.03915	14.1
175.07478	7.4
176.07048	34.8
177.05466	4.8
177.07915	5.8
178.04852	3.8
178.08635	42.3
179.07053	11.9
181.05008	18.9
184.04004	4.3
184.07504	4.8
186.05533	10.9
187.03934	10.6
192.06584	5.9
193.08566	5.6
199.08687	10.3
200.03357	4.3
200.07059	24.8
201.10318	4.7
202.05035	28.9
202.08633	10.8
203.08154	9.5
204.06564	22.5
205.07335	9.3
207.06421	3.8
217.09738	46.1
218.08110	8.6
219.07664	6.3
220.06119	10.6
221.02953	11.0
222.07584	12.4
227.08162	13.1
228.06560	12.6
236.08907	3.8
245.09235	71.7
246.07648	10.1
263.07562	6.1
263.10297	48.8
271.04550	5.3
377.07156	10.9
391.14746	16.2
394.11200	5.9
396.13193	4.5
397.13312	9.4
405.15472	4.3
419.14560	8.3
420.13159	6.7
437.15677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1442
Annotation	Nothofagin
Peak:m/z	Relative Intensity
52.58002	0.6
53.03942	1.3
55.01878	1.5
65.64959	0.6
67.05510	1.4
68.99796	0.7
69.03428	0.8
70.06596	1.2
70.84547	0.7
70.84888	1.2
71.04993	0.9
76.92422	0.6
79.05482	2.9
81.03416	1.7
81.07040	1.6
84.08155	0.7
85.02891	3.2
85.06542	0.8
86.09692	0.7
91.05468	2.4
93.07027	2.1
95.04957	4.0
97.02896	1.9
98.97587	1.1
103.03943	1.5
105.07056	1.3
107.04952	100.0
107.08604	1.2
108.05290	1.6
109.02884	1.0
112.21705	0.7
116.98586	0.9
119.04950	2.5
119.08600	0.9
120.08029	0.8
121.02863	1.7
121.06525	1.0
123.04420	5.6
123.08112	0.7
131.04941	0.7
133.10133	0.9
135.04417	2.0
135.11716	0.7
137.05930	1.3
139.03905	2.3
145.06531	0.9
147.04411	3.7
149.05981	2.6
151.03893	5.1
153.05461	4.9
161.06052	1.0
162.05481	0.9
163.03937	2.9
165.05524	2.1
165.62770	0.8
169.04994	1.1
173.05927	0.8
175.03883	1.2
177.05432	0.7
179.07014	0.9
181.04999	4.6
187.03900	0.8
189.05455	1.0
189.09122	1.2
191.03362	5.6
193.04979	7.0
205.05011	2.0
207.06529	2.6
211.05991	3.9
217.05005	1.0
219.10214	0.6
229.04921	1.4
235.05960	5.4
237.09193	0.8
241.05060	0.7
243.06409	0.8
247.06052	2.9
249.02959	0.7
259.06052	2.7
262.79904	0.9
275.09094	2.0
277.07196	1.7
285.07455	1.5
287.09030	5.2
299.09076	3.4
309.04590	0.7
317.10083	5.6
335.09055	0.8
341.10211	7.0
343.08124	1.3
353.10242	6.4
365.10101	3.2
401.12045	0.7
417.49478	0.6
437.15192	1.2
437.21521	2.8
438.19962	0.8
455.28525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.1
55.01861	8.5
55.05510	8.5
57.03429	5.2
61.02929	4.9
61.51216	1.9
65.03947	2.5
67.05501	6.3
68.99792	4.0
69.03428	24.3
69.07087	9.5
70.06591	1.9
71.04992	6.1
71.59374	2.6
73.02914	7.1
79.05485	14.2
81.03426	23.7
81.07065	12.2
81.68233	1.6
83.04988	2.3
85.02909	59.5
87.00839	20.9
91.03951	2.4
91.05493	21.0
93.07045	86.9
95.04972	7.6
95.08618	13.1
97.02893	26.2
97.06509	9.3
98.97604	4.1
99.04454	10.1
105.00082	4.1
105.01868	22.9
105.07076	9.2
107.04992	2.3
107.08598	100.0
109.02876	26.0
109.06496	4.3
109.10155	6.6
113.64378	1.6
115.03952	1.9
116.98627	2.4
117.01845	2.5
119.08559	2.9
121.06487	2.0
123.04428	5.4
124.04799	2.0
127.03918	47.2
127.04808	3.4
129.01837	3.0
133.06508	2.3
135.11699	57.2
137.05998	3.6
145.04965	20.9
147.02885	2.2
153.12764	8.2
159.02904	16.3
161.01260	2.8
163.03999	3.0
165.05380	2.2
174.79651	1.8
183.20561	1.7
213.03899	2.3
227.11836	6.2
231.05005	7.0
235.00575	2.4
249.02788	4.0
255.11304	3.9
261.14871	2.2
269.12918	2.7
276.00790	2.5
287.13849	3.1
291.03287	3.3
297.12372	4.6
315.13400	7.9
319.02744	17.1
347.02206	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.8
55.01873	15.7
61.04527	15.3
67.05507	19.4
69.03423	46.9
69.07034	10.9
69.97910	55.4
70.06596	19.9
71.05009	13.7
74.95155	14.4
79.05489	19.9
79.92220	11.7
81.03410	43.1
81.07058	27.1
85.02910	100.0
87.00832	40.3
88.78123	11.3
91.05486	38.2
93.07038	97.3
95.04961	31.8
95.08617	49.4
95.56481	10.8
97.02907	49.6
99.04457	20.6
105.01859	78.5
105.07041	19.8
107.04942	24.4
107.08581	93.7
109.02884	13.3
119.04975	12.4
123.04485	61.5
127.03909	89.7
135.11723	60.8
136.03943	20.5
137.02368	21.8
137.06012	24.5
145.04947	33.3
145.06467	15.7
159.02951	11.9
161.05931	10.5
163.03877	20.9
173.05884	10.3
231.05051	17.2
261.03735	11.2
279.50183	11.9
315.13467	19.8
326.07330	21.6
436.18527	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	436.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
61.02922	0.7
68.04999	0.6
69.03417	1.6
70.06586	1.2
70.09380	3.1
71.04997	0.7
79.05492	1.2
81.03412	1.4
81.07076	0.6
84.04495	0.8
85.02903	4.4
96.08123	1.0
97.02882	2.3
97.06554	1.2
98.06067	0.7
98.09722	0.7
99.04455	0.7
107.04951	0.8
109.02909	1.1
113.07141	1.5
122.69595	0.6
123.04467	1.1
124.07606	9.7
127.03928	1.6
129.06606	3.1
130.06520	28.4
134.06029	1.5
139.03891	1.1
141.06622	1.0
145.04916	0.7
146.06018	3.1
147.04414	0.9
152.07124	0.6
154.04999	1.3
157.07620	100.0
158.05989	2.4
158.07986	1.6
163.03833	0.8
175.08704	0.8
177.05441	0.8
183.09247	0.7
184.07390	0.7
185.07101	3.2
188.03751	1.7
201.10303	0.7
203.44084	0.7
211.02168	0.7
228.11333	24.5
255.09418	0.6
256.10818	81.8
257.11148	2.0
274.11908	8.7
289.12018	1.7
400.15027	1.5
436.16318	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	435.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	27.4
57.07087	13.2
58.76182	2.2
67.05492	12.5
68.69355	2.5
69.07063	45.9
70.20554	12.0
71.08618	7.1
79.05479	10.2
81.07053	27.6
83.01324	3.5
83.08615	28.2
85.10173	5.4
89.06054	3.6
91.05487	3.1
95.08607	27.9
97.10168	17.8
107.08567	2.9
109.06534	5.1
109.10139	15.9
111.11684	15.3
113.00043	4.2
121.06541	5.6
123.04402	4.9
123.11705	9.5
125.05996	22.5
125.13273	3.5
137.05975	58.7
137.13304	5.6
141.05487	7.5
152.04747	5.9
153.05464	100.0
154.05832	8.0
161.06000	3.4
163.07539	24.7
169.02664	4.4
175.07568	7.3
177.09106	32.0
178.21640	3.0
189.09077	4.2
191.10678	23.5
193.08620	8.0
198.43605	3.0
203.10706	2.7
207.10182	5.4
217.87114	2.6
320.79730	2.7
399.32797	5.4
417.33560	11.0
435.34204	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	435.3468
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
53.03925	0.4
55.01865	0.3
55.03713	0.2
55.05510	2.1
56.61640	0.2
57.07064	0.8
65.03927	0.3
67.05500	2.8
69.03426	2.1
69.07064	2.2
71.08623	0.5
71.59569	0.3
71.59991	0.3
79.05492	4.6
81.07056	13.3
82.07362	0.3
83.01334	0.5
83.08624	1.8
84.59681	0.2
89.34740	0.2
91.05477	1.7
93.07032	1.0
94.04174	0.6
95.04966	0.7
95.08601	4.6
97.02920	0.2
97.10164	1.7
105.07060	1.2
107.04971	0.5
107.08571	1.2
109.06514	9.9
109.10155	2.8
111.11700	1.0
117.07056	1.1
119.08597	0.6
121.06496	3.6
121.10158	0.4
123.08083	0.5
123.11697	1.7
125.13241	0.4
129.07013	0.3
131.08551	0.8
133.10065	0.4
135.08063	1.5
135.11693	0.5
137.05972	100.0
137.13240	0.8
138.06290	2.0
141.07033	0.2
143.08638	0.3
145.06487	0.3
145.10120	0.5
147.04417	0.2
149.06020	0.4
149.09599	2.4
149.13254	0.7
151.07558	2.4
151.14787	0.6
155.08525	0.3
157.10063	0.2
159.08054	0.5
159.11797	0.3
161.06067	0.3
161.09619	0.5
162.06744	0.5
163.07544	7.9
163.11258	0.4
165.09154	0.5
173.09613	0.4
175.07489	0.4
175.11182	0.4
176.08406	0.3
177.09102	25.8
178.09482	1.0
186.89830	0.2
189.09039	0.5
191.10660	13.1
192.11018	0.4
203.10718	0.5
203.89526	0.2
205.12244	1.4
219.13901	0.3
223.64561	0.2
303.23273	0.3
353.24823	0.3
358.69388	0.2
371.25793	0.3
399.32562	1.4
403.28452	0.7
417.34143	1.1
435.34006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
53.53093	2.1
53.84234	2.4
55.01863	2.6
55.05509	20.4
57.03418	2.2
57.07061	3.4
65.03925	3.0
67.05173	3.5
67.05506	51.2
69.07068	22.9
69.14499	2.0
71.33903	2.9
71.34236	2.7
79.05070	2.9
79.05495	50.8
81.06585	3.4
81.07055	56.8
83.04964	3.8
83.08606	9.3
85.06554	4.8
85.36998	2.1
87.76589	2.0
91.05479	68.1
93.06482	2.9
93.07046	42.5
95.04955	6.7
95.08599	44.2
97.06520	4.0
97.10153	6.6
102.94559	2.2
103.05499	4.1
105.07028	80.1
107.04948	3.1
107.08600	25.7
109.06502	8.4
109.10150	13.4
111.08047	3.1
114.23097	2.6
115.05419	2.5
117.07018	29.2
119.07793	4.4
119.08580	52.3
121.06510	5.3
121.10146	15.9
123.08065	6.2
123.11718	2.9
125.09625	2.5
128.06168	2.7
129.06995	22.6
131.08563	54.2
133.10112	27.5
135.08075	4.8
135.11684	8.2
137.09628	6.5
141.06967	6.5
143.08565	20.8
145.06392	2.7
145.10112	40.2
147.08029	3.8
147.11710	5.9
149.09579	5.8
149.13280	2.6
151.11182	3.7
155.08513	13.0
157.10172	11.4
159.11708	13.5
161.09610	2.3
161.13264	4.0
169.10117	11.1
171.11674	9.2
173.13274	7.5
175.11266	2.3
180.21162	2.3
181.10083	5.5
183.11754	11.0
185.13248	5.5
187.14844	7.2
195.11702	7.0
197.13232	7.0
199.14825	5.6
201.12656	2.7
209.13269	5.0
211.14780	5.4
213.12881	2.8
223.14885	5.6
225.16275	4.4
227.14270	4.0
229.15781	3.3
233.15405	3.4
247.16945	7.6
255.17487	3.4
259.16821	4.3
261.18533	4.1
269.19061	2.6
273.18579	5.0
325.25314	18.6
335.23633	12.4
343.26355	13.3
353.24750	47.0
357.28040	3.0
371.25787	40.7
374.68262	2.4
375.28784	5.5
385.27362	23.3
403.28430	100.0
404.28726	3.5
417.29919	9.0
443.32535	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77158	2.6
53.03933	3.8
55.01869	3.4
55.05516	33.1
57.07060	7.5
65.03947	5.4
67.05168	5.8
67.05505	73.9
69.07068	34.7
70.25121	2.9
71.04984	4.6
76.12174	3.5
79.05492	54.3
81.07058	78.5
83.08620	15.9
85.06558	9.4
91.04910	4.4
91.05482	78.7
93.07045	60.5
95.04974	13.1
95.08604	50.6
95.09171	5.3
97.06522	11.2
97.10188	5.8
98.20791	7.1
103.05477	7.5
105.07035	100.0
107.04924	4.8
107.08600	30.6
109.06524	10.7
109.10134	15.9
110.22176	3.1
111.08059	4.0
115.05432	6.6
116.37437	2.8
117.07012	39.4
117.11718	2.9
119.08578	54.1
119.35143	3.4
121.06506	9.0
121.10126	20.8
123.08073	4.5
128.06186	5.7
129.07001	24.4
130.07800	3.0
131.08566	66.1
133.06502	3.4
133.10106	22.7
135.08063	4.1
135.11702	14.3
137.09648	3.8
138.87248	3.1
141.07034	8.7
143.08554	30.8
145.10120	50.5
147.08076	5.8
147.11684	13.0
149.13234	6.3
155.08517	15.2
156.09387	4.0
157.10094	21.5
159.07996	4.1
159.11687	26.3
161.09657	4.2
161.13295	7.5
167.08548	4.6
169.10078	17.0
171.11673	17.4
173.09697	4.7
173.13249	8.2
175.14922	3.6
181.10193	11.8
183.11688	9.4
185.09508	3.8
185.13353	7.6
187.11191	6.0
187.14771	5.1
191.14374	3.2
195.11691	7.1
197.13261	12.5
199.11159	4.8
199.14938	4.6
201.12781	7.8
209.13345	3.6
211.14771	4.2
215.14320	4.6
219.14005	4.2
223.14803	4.7
225.16437	3.6
227.14244	3.8
233.15414	7.5
235.14847	4.2
237.16693	3.7
255.17525	4.3
257.19040	4.4
273.18530	5.3
301.75345	3.3
302.08685	3.4
325.25281	9.2
335.23737	15.8
343.26349	21.0
353.24701	49.0
371.25775	30.5
375.28897	3.8
385.27490	20.6
388.99243	3.1
394.28232	3.1
403.28488	90.0
417.29990	11.6
435.30869	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	435.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94302	2.3
53.03931	9.7
55.01875	20.6
55.05257	3.6
55.05505	33.8
55.47062	2.4
57.03432	6.9
57.07071	4.5
59.04996	3.6
65.03918	4.9
67.05503	100.0
68.00093	2.7
69.03409	11.2
69.07060	20.9
69.65086	9.1
69.65514	10.2
71.01346	3.0
71.04977	8.5
71.08624	7.2
73.06568	2.6
79.05063	4.0
79.05492	56.1
81.03414	15.0
81.07053	54.2
83.01318	4.9
83.04972	10.4
83.08624	13.7
85.02901	4.6
91.05474	60.1
91.60006	2.7
93.03431	3.9
93.07035	41.4
95.01282	5.6
95.04977	22.9
95.08607	39.6
97.02892	3.7
97.06512	8.9
97.10165	5.7
99.08076	5.0
103.05437	8.0
105.07016	44.7
107.04932	9.4
107.08607	20.7
109.02866	3.2
109.06483	10.3
109.10149	48.7
115.05454	10.2
117.06994	21.6
119.04940	4.8
119.07889	3.3
119.08580	31.8
121.06528	13.1
121.10143	9.3
123.04444	4.8
123.08079	9.3
125.02338	6.7
125.09634	7.3
127.03921	2.9
128.06198	10.6
129.06998	27.6
131.04933	13.4
131.08562	24.1
131.68567	2.7
133.06467	14.2
133.10075	14.3
135.04393	6.2
135.08066	7.8
135.11674	6.6
137.02304	3.8
137.09592	6.9
139.03902	5.0
139.11133	3.5
141.06996	9.3
142.07768	4.0
143.08542	20.0
145.06488	17.8
145.10071	14.0
147.04395	8.0
147.08067	12.2
147.11702	17.2
149.05994	5.5
149.09621	3.6
151.03882	8.3
151.11087	2.9
153.06993	4.0
154.07782	3.9
155.08534	6.9
157.06436	9.2
157.10124	7.2
159.04436	15.8
159.08022	7.3
159.11682	9.2
161.05946	9.3
161.09599	12.5
161.13177	5.5
163.03893	18.4
163.07596	4.4
165.05464	3.3
167.08527	4.6
169.10100	12.3
171.04413	4.9
171.08049	8.7
171.11671	12.5
173.06020	13.2
173.09625	7.3
173.11696	8.9
173.13110	6.4
175.03865	5.2
175.07446	5.2
175.11221	3.5
177.05457	16.1
179.08632	4.6
181.04907	8.6
181.10124	5.4
182.07353	3.8
183.08070	5.2
183.11591	4.5
185.09621	7.2
185.13211	5.8
187.03934	25.1
187.07483	3.6
187.11179	10.3
189.05461	16.5
189.09094	6.1
189.12747	4.3
191.07019	3.2
195.11693	4.3
197.09671	5.5
199.07645	3.2
199.11156	6.9
201.05463	10.9
201.12770	5.7
203.06985	8.6
207.11903	3.1
207.13800	8.4
209.09644	3.3
211.11169	5.0
213.05473	4.2
215.07030	11.6
215.10622	9.4
215.14268	5.4
217.04918	3.3
217.12155	4.8
219.06686	3.3
219.10071	4.7
227.06845	3.7
227.10574	3.8
229.08505	4.1
229.12206	8.9
231.13791	7.8
233.11707	10.0
243.10158	9.8
245.11746	4.7
255.10048	4.8
255.13956	4.7
257.11731	35.3
259.13287	10.1
261.11151	8.2
269.11746	7.4
271.13248	8.4
273.10986	4.4
273.14755	3.7
279.12347	10.4
281.19095	4.3
283.13141	11.2
287.12735	12.7
291.12094	4.7
299.13062	2.9
301.14206	4.2
305.13812	20.0
327.19440	3.6
329.13950	4.1
329.21091	7.7
341.20987	10.4
343.22617	4.8
351.19553	7.2
353.21078	11.1
357.20493	12.7
367.22623	3.2
369.20639	73.2
371.21964	14.8
381.20728	21.5
389.23035	3.8
399.21658	37.2
417.22598	35.1
435.22910	9.3
435.28464	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	435.165
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
53.03931	1.3
55.01845	0.4
55.05506	0.6
56.99381	0.4
57.03424	1.0
58.92830	0.4
61.02906	1.7
64.59412	0.4
65.03919	0.8
67.05484	1.0
68.99776	1.2
69.03075	0.6
69.03428	7.4
69.32837	1.6
69.33262	2.6
70.06578	0.4
71.04990	0.8
73.02898	0.9
74.06048	0.9
79.05460	0.8
81.03427	2.6
81.07039	0.4
84.14188	0.4
85.02905	10.3
87.04447	0.8
91.05468	1.1
92.99928	0.4
93.07052	0.4
95.04966	3.1
97.02892	3.0
99.04469	0.8
101.02379	0.4
103.05447	0.7
105.03405	0.5
105.07030	0.6
107.04952	4.6
109.02872	1.6
111.04461	0.6
115.05434	1.6
117.06998	1.2
119.04934	1.8
122.03636	0.6
123.03571	0.8
123.04421	11.1
124.05248	0.5
125.05946	0.5
126.76917	0.4
127.03922	1.2
128.06232	0.7
129.06963	0.6
130.06548	0.5
131.04929	2.7
131.08510	0.7
133.02832	0.4
133.06470	0.8
135.04408	1.3
137.02350	1.6
137.05974	7.0
141.06912	0.7
145.04922	0.6
145.06485	4.1
147.04395	9.9
151.07553	0.8
157.06476	1.5
158.07237	0.7
159.08014	0.9
161.05994	1.2
163.03853	2.7
163.07510	0.8
165.06963	0.9
167.07059	6.3
169.06493	1.0
171.04391	1.5
172.05101	0.7
173.05931	0.6
174.06873	0.5
175.07501	1.4
180.95454	0.4
181.04913	3.4
181.06371	0.9
183.08034	0.6
185.05939	0.6
187.03880	0.6
187.07545	1.2
189.05449	1.8
195.08000	0.5
197.06042	0.6
199.07541	0.5
201.05499	0.9
201.09041	1.0
203.03429	0.5
211.07487	0.9
212.08324	1.1
215.07066	1.0
218.05685	0.7
221.08128	0.7
227.07117	0.9
227.10551	2.5
228.07814	0.8
229.08589	36.7
230.08868	1.0
233.08060	5.4
241.08546	2.9
251.09210	0.4
255.10152	10.6
263.09085	0.9
271.05948	0.6
271.10669	0.5
273.11200	100.0
274.11618	2.5
297.07840	0.6
303.09961	0.5
313.06989	0.6
325.07013	3.4
379.43665	0.5
391.13721	0.6
399.14420	0.7
417.15482	3.8
435.10580	0.9
435.16623	13.3
438.19843	0.5
453.99615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.165
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03927	2.0
55.01855	2.7
59.10861	1.7
65.03935	4.4
66.00040	1.6
67.05504	3.7
69.03429	6.9
70.06567	2.5
70.23624	6.4
79.05508	8.6
81.03406	3.2
81.07040	1.9
81.93766	1.5
85.02909	7.0
87.04428	2.2
91.05473	6.2
95.04964	4.6
97.02837	3.5
103.05459	3.1
105.07041	4.8
107.04953	22.4
115.03934	3.2
115.05470	8.4
116.04243	2.0
116.98620	1.7
117.07006	11.6
119.08558	1.9
121.06488	2.2
123.04455	6.7
124.05198	7.3
125.06004	2.9
129.06981	2.8
131.04916	4.5
131.08516	1.8
133.04956	4.0
133.06479	7.2
137.02380	1.7
137.06000	3.2
144.05721	3.2
145.05327	2.2
145.06491	24.3
147.04414	5.7
147.08139	2.7
152.04681	2.4
153.01872	2.3
153.05405	2.0
155.06052	5.3
157.06491	6.5
159.04355	2.0
160.05225	2.1
161.06010	16.1
165.05495	1.9
166.02510	2.1
167.05626	3.8
167.07042	66.9
171.02866	2.1
171.06583	2.8
172.05215	10.7
173.05981	15.6
175.07578	4.4
177.05443	2.0
181.04964	55.1
181.06534	3.5
182.05345	1.9
187.07547	5.0
189.05507	10.6
190.06265	7.2
200.04677	3.4
201.05457	10.1
202.06195	2.0
203.07048	2.2
205.04933	2.2
205.08611	17.0
206.05797	3.5
207.08037	2.0
212.29659	1.6
213.05460	3.2
217.08533	3.5
218.05728	16.4
219.06509	5.9
221.08041	21.3
231.06535	4.4
233.08070	98.1
235.07472	2.5
235.09615	4.2
241.46902	1.8
245.08122	5.2
247.07651	3.0
249.05576	1.7
249.09250	2.0
251.09148	10.0
263.07166	1.7
263.09244	14.0
270.05179	2.5
273.07629	1.7
277.08496	2.5
292.07361	2.1
306.08743	1.7
307.09482	2.6
309.07544	2.3
325.07050	2.5
331.08035	3.9
335.09042	2.5
337.06952	2.4
337.10733	1.9
339.12366	3.9
354.62234	1.7
355.11841	2.3
356.12305	1.7
367.11838	6.7
371.15143	3.8
372.12161	1.7
387.14386	7.1
399.14618	8.1
405.14932	1.8
417.15466	100.0
418.15659	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	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.7
55.05506	39.3
67.05511	100.0
68.13770	10.6
69.07071	20.2
71.59007	21.2
77.48409	11.6
79.05491	29.9
79.24094	11.5
81.07065	49.7
83.08614	10.8
83.39523	10.9
85.02876	15.6
85.06583	10.1
91.05469	33.8
93.07021	12.3
95.04981	19.3
95.08593	18.8
97.10155	27.8
99.02468	12.8
107.08613	24.5
109.10142	27.6
119.08601	19.0
125.09666	25.1
131.08580	13.8
137.05980	25.7
151.03795	10.7
163.11142	19.7
173.11743	17.9
173.13228	10.1
176.16768	10.6
178.09337	14.9
191.10661	11.3
229.14305	17.1
234.12154	12.4
261.69095	10.6
343.22595	14.4
385.23785	13.4
435.27325	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00552	2.8
53.03948	3.5
55.01859	6.7
57.03439	21.7
59.04987	6.0
60.04522	11.9
61.02925	5.1
65.03939	3.5
69.03428	80.8
69.07059	5.0
70.06593	5.8
71.04131	7.3
75.04482	3.3
79.05501	7.8
81.03435	6.1
81.07065	3.4
84.04490	3.7
84.08150	7.1
85.02905	77.8
86.09722	29.1
87.04470	55.3
91.05475	15.2
95.04977	7.5
95.08617	3.3
97.02890	66.8
103.05487	5.0
105.07052	13.1
107.04969	20.4
109.02866	6.2
110.07175	15.9
115.03928	95.5
115.05364	4.0
117.07049	4.7
119.08610	3.7
123.04432	11.9
127.03943	13.5
129.07063	5.3
129.10236	8.1
133.04959	100.0
133.06522	7.1
137.06027	5.9
139.03883	3.3
145.04974	27.8
145.06480	19.7
147.04442	6.7
147.08043	5.2
150.07642	13.9
153.01820	4.7
154.06279	3.9
155.06102	3.8
157.06540	6.3
161.06007	9.9
163.03998	4.8
163.06033	7.4
165.05528	3.3
167.07034	47.5
172.05202	6.6
173.05911	7.1
175.07541	4.0
181.04950	46.9
187.07484	3.8
189.05609	5.6
190.06255	8.0
191.84770	3.2
201.05418	5.2
201.09169	3.6
202.06329	3.9
205.05130	4.0
205.08636	5.3
208.07365	6.1
213.05498	4.0
218.05733	10.4
219.06528	5.2
221.08095	12.0
233.08072	57.0
235.09695	6.0
245.08112	4.5
245.81847	3.4
248.14903	4.2
251.09212	8.6
263.09216	9.8
273.07468	3.8
301.08347	3.1
305.45490	3.1
311.72522	3.2
345.90863	3.3
355.11926	4.0
398.28815	5.4
417.15442	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.2
53.03940	6.9
53.08377	2.0
55.01870	5.3
55.05511	51.4
57.03437	2.7
57.34183	1.8
59.04972	4.8
63.03580	2.0
63.17937	2.0
65.03924	4.9
66.09503	2.1
67.05506	78.3
69.03397	2.2
69.07069	33.7
70.65432	2.3
70.65787	7.1
71.04987	2.5
73.06503	4.4
76.23852	2.0
79.05495	55.0
81.03426	2.9
81.07055	86.9
83.04975	8.9
83.08617	35.6
85.06529	8.6
85.17682	2.0
87.89388	2.0
91.05481	82.7
93.06477	3.7
93.07047	65.6
95.04990	13.8
95.08612	52.1
97.06524	13.2
97.07171	1.9
97.10154	8.4
99.08085	6.4
103.05451	4.1
105.07034	70.3
107.04950	7.6
107.08598	27.7
109.06505	8.7
109.10169	11.1
111.08065	12.7
115.05424	11.9
116.06263	5.3
117.07020	59.0
119.04961	4.7
119.08588	37.9
121.06502	10.0
121.10146	22.8
123.08064	10.1
125.09669	5.1
128.06210	18.1
129.06999	63.7
130.07826	2.6
131.08565	100.0
133.06483	10.6
133.10130	20.6
135.08038	10.7
135.11746	13.0
137.09674	5.0
139.07541	2.7
139.11186	7.7
141.06973	18.9
141.09142	4.4
142.07779	7.0
143.08556	50.9
145.06493	10.5
145.10120	29.2
147.08029	13.4
147.11691	11.6
149.09624	11.7
149.13303	5.0
153.07037	4.8
154.07797	2.4
155.08556	40.2
156.09227	2.9
157.06543	3.5
157.08853	4.0
157.10110	25.3
159.08038	6.6
159.10358	4.0
159.11642	20.8
161.09650	5.7
161.13237	3.6
163.02083	2.5
163.11176	6.5
165.06998	7.5
166.07764	3.3
167.08592	16.1
168.09305	3.1
169.10132	27.2
171.08032	5.4
171.11653	17.9
173.09607	5.4
173.11894	2.1
173.13287	7.2
175.11159	7.1
177.12735	7.7
179.08562	8.1
180.09314	4.3
181.10132	19.6
182.10808	3.1
183.11731	13.6
185.09659	3.4
185.13280	12.6
187.11125	5.6
187.14842	4.6
189.11166	4.5
193.10150	9.0
193.12070	2.2
195.11732	25.7
197.09688	3.8
197.13222	12.3
199.11180	6.3
199.14801	4.1
201.12865	4.8
203.14395	2.8
205.10100	3.3
207.11879	10.4
207.13573	2.7
209.13266	13.5
211.11140	3.4
211.14839	8.1
213.12663	6.6
213.16435	5.7
215.14218	2.4
219.11676	3.6
221.13269	12.7
223.14781	21.2
225.12814	2.9
227.14284	5.8
231.13768	3.0
233.13231	3.1
235.14841	7.1
239.14256	9.3
241.15848	7.8
243.13786	2.8
247.14732	2.8
247.16997	7.6
249.16298	4.5
253.15906	5.1
255.17400	2.5
257.15311	6.3
259.16913	4.0
267.17343	2.9
271.16925	8.3
273.18600	2.6
285.18488	3.6
305.22476	4.8
315.20975	5.3
323.23630	7.7
333.22205	20.9
341.24597	12.9
351.19223	4.0
351.23215	48.0
352.23462	2.5
355.26144	4.2
365.24774	3.5
369.24277	26.5
373.27322	4.3
383.25745	8.5
401.26852	27.0
405.16336	2.5
415.28564	11.0
433.29611	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	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
53.14233	1.4
55.01867	4.7
55.05508	12.2
57.03098	1.3
57.85210	1.3
61.74358	1.5
65.03922	1.6
67.05507	23.3
69.03427	3.4
69.07065	11.6
71.41730	2.2
72.37253	1.3
79.05482	15.1
79.07163	1.6
81.03417	4.5
81.07058	16.4
83.04973	4.9
83.08614	4.6
91.05465	12.0
92.67112	1.5
93.07038	12.8
95.04983	7.2
95.08611	19.4
97.06550	3.2
97.10174	3.5
105.07033	9.7
106.39632	1.6
107.04959	2.3
107.08590	10.4
109.02865	3.3
109.06507	3.0
109.10152	7.7
111.04431	1.7
111.93398	1.6
113.09692	1.5
117.06998	4.2
119.08575	7.5
121.06499	3.3
121.10132	4.1
123.04430	7.9
123.08038	2.2
123.11697	1.4
125.05994	3.3
127.03944	5.0
129.06989	2.7
131.08577	6.3
133.10115	5.6
135.11722	2.6
137.05962	6.4
137.09587	3.6
139.03897	33.0
141.05470	3.7
143.08501	2.8
145.10127	5.4
147.08017	2.0
147.11725	3.1
149.05931	3.1
149.13251	2.7
150.17851	1.6
151.03902	100.0
151.11182	2.2
153.05467	96.1
154.05676	1.6
155.08524	1.5
159.11754	2.8
161.05878	2.0
161.09619	1.8
163.03915	12.1
163.07518	2.8
165.05472	8.7
165.06918	1.4
167.03378	4.0
167.07082	2.2
169.04956	2.0
169.10132	2.6
175.04033	1.4
177.05452	13.6
177.09099	1.9
179.03395	22.9
179.07024	11.3
183.11659	1.7
187.07596	2.3
189.05470	3.1
189.09125	1.8
191.03404	2.8
191.07030	8.5
193.04955	2.7
203.07042	1.9
205.08614	4.7
223.13292	1.9
229.12273	3.6
233.11674	3.2
247.13303	90.0
248.13623	2.5
249.14946	2.7
257.11542	1.6
259.13330	5.8
261.14771	2.8
273.14786	2.0
275.12805	25.6
277.14365	44.0
277.21649	3.8
278.14758	1.8
295.15494	7.3
305.13852	5.9
319.15518	2.7
341.24860	2.0
369.24240	4.5
387.25165	6.6
397.23688	5.8
415.24677	5.6
433.25800	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02122	2.2
53.03952	7.1
55.01871	8.0
55.05515	28.4
57.03437	30.3
57.57236	2.5
61.02927	85.2
65.03933	5.0
67.05507	52.9
69.03430	38.6
69.07072	24.7
70.84343	5.9
70.84678	2.5
71.05005	19.9
73.02915	38.3
75.04490	2.9
79.05492	35.3
81.03416	24.5
81.07057	100.0
81.07526	5.9
82.95474	2.8
83.04977	10.6
83.08622	15.5
85.02423	5.4
85.02905	70.3
85.06529	14.1
87.04509	4.5
91.03950	47.7
91.05473	31.7
93.07044	32.0
95.04997	7.2
95.08607	96.2
97.02892	65.1
97.06531	20.7
97.10143	5.1
99.04420	12.4
99.08102	12.8
101.02366	13.4
103.03931	8.3
105.07032	29.6
105.60632	3.0
107.04961	7.6
107.08575	14.1
109.02866	16.4
109.06517	8.1
109.10174	19.4
111.04452	4.0
111.08102	4.9
113.09657	2.4
115.03915	4.0
115.05492	2.9
117.06997	3.3
119.08582	37.9
121.06475	3.0
121.10156	13.9
123.04405	5.2
123.08103	6.2
127.03928	25.4
129.05467	9.9
129.07072	3.0
131.08588	4.7
133.06487	3.3
133.10144	24.0
135.11717	10.6
137.05977	7.7
137.09624	5.6
137.13269	10.0
143.08586	3.7
145.04971	9.7
147.06517	3.5
147.08046	3.4
149.09532	4.2
151.07576	3.1
157.10143	3.3
159.11691	3.8
160.81946	2.6
161.06009	4.2
161.13261	67.2
163.03915	2.6
167.07108	6.0
177.05507	2.7
177.09277	3.5
179.14323	47.4
181.04970	15.3
183.06493	7.7
221.08052	3.9
253.18051	14.7
259.09711	3.6
271.19028	84.0
285.07578	8.1
356.16660	2.8
392.92117	2.7
403.13824	6.2
433.18634	2.9
433.24576	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	433.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59188	3.1
52.91600	3.6
53.03941	7.2
55.01876	29.5
55.05505	42.8
57.03429	14.1
57.07069	5.2
59.04989	5.0
59.64301	3.2
65.03925	9.5
67.05507	85.4
69.03439	17.4
69.07066	28.3
71.05000	6.5
71.59244	3.9
71.59638	4.6
79.05487	63.2
81.03421	14.3
81.07060	64.2
83.01350	5.5
83.04958	9.9
83.08608	14.3
85.02895	11.8
85.06549	4.3
91.05484	100.0
93.03386	5.3
93.07038	55.0
95.01328	25.9
95.04964	27.2
95.08605	88.4
97.02869	6.7
97.06506	6.6
97.10175	9.3
99.00838	4.2
103.05421	5.6
105.03414	3.7
105.07024	90.1
107.04949	14.1
107.08601	24.6
109.06536	6.0
109.10153	32.3
111.08094	4.7
113.02309	4.3
115.05449	13.6
116.06241	4.4
117.07014	72.4
119.08581	53.7
121.02848	5.8
121.06501	12.7
121.10136	23.7
123.04404	6.9
123.08071	6.6
125.02439	6.9
128.06172	19.4
129.01869	4.6
129.07028	48.0
130.07788	6.3
131.04916	8.2
131.08568	93.0
133.06485	11.7
133.10138	40.3
135.04399	6.3
135.08084	17.3
135.11685	6.4
137.02313	4.9
137.05991	7.0
137.09613	16.5
139.03932	8.3
139.11171	4.3
141.01865	9.8
141.06987	35.6
142.07742	12.5
143.08559	45.0
145.06476	17.3
145.10126	59.1
147.08046	11.2
147.11659	16.6
149.09619	10.6
151.03922	13.0
153.05470	5.1
153.07004	7.4
154.07777	10.2
155.03346	5.3
155.08551	36.3
157.06447	12.0
157.10123	32.0
159.08060	12.3
159.11710	42.2
161.05968	8.3
161.09636	12.5
163.03874	8.0
163.07611	4.5
163.11172	5.0
165.05460	5.3
165.06985	4.2
166.07834	4.6
167.08548	10.4
169.06512	6.1
169.10101	34.6
171.08072	14.7
171.11676	28.9
173.06009	10.2
173.09619	15.1
173.13240	23.3
175.03903	5.6
175.07578	6.8
175.11159	12.0
177.03932	4.3
177.05516	5.3
177.09114	3.8
178.07878	4.1
179.08531	9.2
181.04939	9.8
181.10147	16.1
183.08092	12.5
183.11655	26.5
185.05952	5.4
185.09592	17.9
185.13255	6.7
187.07535	8.9
187.11182	14.6
187.14862	5.3
189.05508	5.4
189.09096	6.8
193.10181	5.1
195.08037	7.0
195.11642	9.4
197.09579	17.9
197.13220	16.5
199.07440	5.1
199.11182	11.6
201.09106	9.1
201.12637	4.1
203.07024	10.3
203.10716	5.9
205.10318	4.0
205.12186	4.5
207.11679	10.3
209.09610	6.4
209.13301	6.0
211.11154	8.9
211.14734	7.8
213.05487	5.4
213.09113	6.0
213.12747	4.7
215.06973	6.4
215.10680	15.0
217.08542	8.2
221.09618	4.3
223.11107	4.8
225.09068	16.2
227.10674	8.4
229.08615	5.7
231.10178	6.3
237.09203	5.9
237.12793	4.0
237.16345	4.0
239.10831	4.2
239.18004	27.3
241.12234	4.4
243.10072	22.8
249.12704	5.1
249.16348	4.7
255.10172	8.6
255.17531	4.5
257.11835	4.6
257.19043	19.6
259.13263	4.7
259.20389	4.3
261.11218	12.3
269.11749	4.7
271.09451	4.3
279.12354	11.7
285.14987	4.0
287.19858	6.2
289.10855	9.0
295.13132	5.3
297.13284	5.4
297.18564	11.4
301.14386	6.5
305.18918	5.2
307.11761	4.3
313.17841	5.9
315.19574	8.1
317.13873	5.6
323.19995	5.1
325.12790	10.0
327.19604	6.2
333.18451	4.3
341.17496	4.2
341.21182	4.6
351.14566	5.3
351.19559	14.2
353.21136	7.4
355.19211	8.7
357.98633	4.7
359.18390	4.5
361.17880	3.8
367.17975	25.0
369.20609	16.3
379.18793	13.9
387.21646	14.6
388.06030	3.9
397.20090	41.3
405.22879	6.9
415.20966	42.1
433.22000	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
55.05503	3.7
59.47837	1.4
67.05494	6.6
69.03422	6.3
69.07068	3.2
69.72344	9.1
70.06593	2.9
70.84012	1.2
71.04984	1.6
72.08156	11.9
79.05484	2.4
81.03422	2.9
81.07069	6.6
82.34372	1.3
83.04948	2.7
84.08124	1.8
85.02917	2.6
85.06529	1.7
86.09705	4.9
91.05466	1.7
93.07056	1.4
95.04948	1.5
95.08602	3.1
96.04459	1.6
97.02879	3.3
97.06518	2.7
98.21485	2.6
98.98421	1.6
99.04473	1.5
105.07041	5.6
107.04945	2.7
107.08587	3.2
109.02899	3.2
109.10166	2.3
117.07064	1.4
118.08730	1.5
119.04936	1.7
119.08558	2.2
121.10170	1.6
121.65225	1.4
127.03922	3.4
130.06493	3.9
132.04469	2.4
133.10124	2.5
137.05974	5.0
147.04407	4.3
149.05956	1.5
151.03909	5.5
151.11125	2.0
154.38158	1.7
157.07616	5.2
158.06015	2.5
159.09218	1.9
161.06000	3.3
163.03871	1.5
167.10683	1.7
175.08702	3.3
181.05009	2.5
185.11494	14.3
189.30815	1.4
213.09158	2.6
213.10965	6.6
215.07043	2.3
241.08649	13.5
271.06064	10.2
271.09445	2.5
283.06180	3.8
285.12442	3.4
313.07047	1.6
316.16550	2.2
347.16776	26.2
389.17856	100.0
390.18127	3.5
433.16830	89.5
434.17349	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	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.37737	0.1
63.45389	0.1
67.01860	0.5
67.05511	0.2
68.99809	0.4
69.03408	0.3
70.26004	0.6
75.23870	0.1
79.05487	0.2
81.03392	0.2
84.08117	0.2
91.05458	0.5
92.39198	0.1
96.65844	0.1
97.02873	0.3
105.07025	0.2
107.04960	0.3
111.02592	0.2
114.76491	0.1
119.04938	2.0
119.08624	0.1
121.02868	0.6
123.04413	0.5
123.56188	0.2
127.03890	0.2
129.01859	0.2
137.06052	0.2
145.02834	0.6
147.04405	0.5
153.01833	4.5
163.03883	0.5
167.06984	0.2
171.02919	1.0
181.04974	0.4
217.42874	0.2
225.05377	0.2
229.04968	0.3
241.08723	0.3
243.06483	0.3
269.04422	0.2
271.06012	100.0
272.03540	0.3
272.06363	3.4
295.06015	0.2
365.14969	0.3
391.08148	0.5
433.09583	0.4
433.15265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
52.02549	0.6
55.01866	1.0
57.03413	0.8
65.03906	0.7
68.99769	1.0
69.03387	0.9
69.07008	0.8
70.26459	1.2
70.26849	1.7
75.36816	0.5
79.01862	3.2
81.03377	2.3
81.07029	0.8
85.02920	3.2
86.09670	2.7
91.05424	1.9
93.03355	0.7
98.97573	0.6
98.98476	0.7
107.04872	0.8
107.09707	0.6
109.02859	1.3
110.07146	1.4
111.04428	0.8
119.04953	4.3
120.05714	1.0
121.02867	19.3
123.04331	0.8
129.10283	0.6
141.01830	0.8
145.02791	2.9
145.06451	0.7
147.04344	0.9
149.02209	1.0
149.31281	0.6
153.01755	0.6
157.06467	0.8
163.03845	2.9
165.01848	5.4
167.03349	1.7
167.06984	1.2
177.01826	1.7
177.03735	0.6
177.05447	1.2
179.03380	0.9
181.05002	0.9
183.02864	4.7
187.03845	1.7
191.03316	1.5
195.02898	1.5
199.07707	1.1
200.80196	0.8
205.04944	1.3
207.02901	0.7
211.07570	0.8
213.05476	5.7
217.04953	3.8
227.06995	1.8
228.04536	0.7
228.07835	1.2
229.04718	0.7
229.13962	0.8
235.05888	0.9
238.06152	0.7
239.06972	1.1
241.04959	1.3
242.05650	1.3
243.02818	0.8
243.06534	2.0
255.06531	8.1
256.07263	8.9
259.06122	3.0
261.03958	2.7
266.16168	0.8
267.06473	2.9
270.05258	1.3
271.05994	6.4
279.06699	1.2
281.08121	3.1
283.06009	88.4
284.06766	39.3
285.07452	2.6
295.06009	17.1
295.09344	1.2
297.07547	19.7
298.07858	0.7
305.08105	1.0
307.06000	1.8
308.06909	4.3
309.07498	10.3
311.05576	3.1
313.07050	100.0
314.07416	2.8
321.07550	1.5
323.05530	2.3
323.09097	23.2
325.07056	4.4
327.08725	1.9
333.07416	1.3
337.07037	27.3
343.08133	5.4
349.07098	3.8
351.08609	6.4
355.08105	2.5
361.07104	3.1
367.08121	19.2
379.08102	15.5
389.17764	1.2
397.09177	35.5
398.09268	0.9
415.10217	41.5
416.10388	1.7
433.11319	47.9
434.11667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
57.07076	0.8
64.89037	0.7
67.05519	3.6
69.07058	2.7
70.80829	1.4
70.81165	1.3
74.05894	0.6
79.05489	2.3
81.07034	2.1
83.08601	1.4
91.05502	1.1
93.07017	2.0
95.08602	7.3
97.10204	0.8
97.74977	0.8
105.07034	1.5
107.04956	7.6
108.05690	1.0
109.06568	1.2
109.10164	1.4
109.92667	1.0
111.11679	0.7
114.57853	0.7
121.06504	1.9
122.07283	12.5
122.28312	0.7
123.08069	12.2
126.68250	0.7
135.08060	4.5
137.05972	2.0
138.06734	1.4
141.69058	0.6
145.10037	1.2
149.08327	0.7
149.09633	1.1
150.05528	1.4
150.06766	35.9
151.07542	100.0
152.08044	7.4
163.07559	1.7
163.11166	1.7
164.08287	2.1
167.07008	1.3
175.07584	2.4
176.08272	1.4
177.09129	3.7
178.09500	1.7
186.67366	0.8
189.09068	1.4
190.09517	0.7
191.10683	23.2
192.11029	2.0
205.12282	1.3
206.12633	1.0
366.15768	0.7
414.34909	6.8
432.35983	76.8
433.36102	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	432.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49693	3.2
53.03936	8.4
55.01862	6.2
55.05504	10.3
56.05030	19.6
56.17681	3.3
57.03434	9.8
58.06594	20.3
60.04523	3.6
61.02914	7.3
65.03913	4.9
67.05492	13.9
69.03424	34.4
69.07049	15.2
70.06590	17.7
71.04974	11.4
71.58249	5.2
72.04509	5.3
72.08133	5.3
73.02927	6.3
74.06084	4.4
79.05477	15.9
81.03401	15.6
81.07043	17.9
82.06560	6.1
83.04984	9.0
84.04491	11.1
84.08120	8.9
85.02905	46.0
86.06050	8.3
86.09692	10.7
87.04486	6.2
91.05441	20.4
93.07034	22.5
95.04960	10.6
95.08605	29.8
96.04518	3.3
96.08102	10.3
97.02887	24.3
97.06545	8.7
98.06049	6.4
98.98454	4.4
99.04436	14.8
99.89107	3.7
100.07596	7.8
102.05521	3.6
105.07044	21.5
107.04946	6.5
107.08587	31.4
108.08110	14.5
109.02876	11.5
109.06515	9.8
109.10110	17.3
110.06033	10.8
110.09678	12.7
111.04461	4.4
111.08079	5.7
113.02322	5.2
116.07095	5.0
117.07056	5.8
119.08571	34.1
121.06562	4.0
121.10122	31.8
123.04434	8.1
123.08091	8.9
124.07591	5.4
124.11288	3.8
125.09619	3.9
126.05507	4.7
127.03901	12.6
129.06940	4.6
130.06522	3.9
131.08568	10.6
133.10135	45.0
135.04408	5.8
135.08037	9.1
135.11705	17.3
137.09619	5.4
139.03854	9.2
139.11171	5.8
140.07072	4.6
143.08516	4.6
145.10123	10.3
147.04338	4.6
147.08012	6.0
147.11670	10.6
148.11238	3.8
149.09549	5.3
149.13258	5.6
151.11151	4.7
153.09096	5.9
154.64102	3.6
159.11652	8.7
161.05992	5.9
161.09610	3.8
161.13269	4.2
163.03882	8.8
163.14787	7.0
173.13272	10.1
175.14815	12.6
177.12689	4.1
178.12192	4.3
180.43745	4.3
186.07579	6.5
189.12805	4.0
190.15929	4.3
191.03404	5.1
191.14261	4.8
193.08617	4.6
193.15971	5.2
204.08669	21.0
207.17545	3.5
216.17505	7.9
222.09593	3.8
225.10194	4.2
226.17960	4.8
231.02931	3.8
234.18517	44.9
235.17015	8.8
236.20020	5.4
252.19592	77.8
270.20624	82.5
271.06049	20.9
396.23718	4.9
414.16266	5.1
414.24832	100.0
432.19696	5.5
432.26160	56.7
432.73227	4.2
447.26102	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	432.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01875	3.6
56.96553	2.2
57.03434	3.2
60.20998	2.0
61.02927	6.3
65.03937	2.5
67.05482	2.3
69.03432	18.2
70.06583	3.0
71.04990	33.6
71.58728	2.2
73.02927	2.9
74.73558	1.9
81.03418	11.2
85.02905	40.6
87.04431	2.7
91.03996	2.3
97.02888	15.7
99.04456	18.8
108.04457	2.4
109.02866	4.9
110.06064	11.3
111.04423	4.6
117.03367	2.2
117.05523	5.1
118.06533	3.5
123.04404	7.2
127.03901	6.8
128.57780	2.2
135.04448	3.6
136.03961	20.7
145.04955	5.9
146.06090	4.5
147.04349	2.6
154.04996	58.7
162.05519	7.8
163.03886	5.0
174.05507	20.0
177.05498	2.5
179.03345	3.2
192.06593	2.8
195.60394	2.4
198.05495	2.8
216.06564	9.1
234.07599	75.2
252.08679	40.4
270.09726	100.0
271.10062	3.0
432.15030	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	432.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.01854	3.0
55.05497	9.4
56.05012	6.2
57.03428	5.9
57.07060	3.1
58.06578	9.8
58.18482	2.4
59.04985	3.1
61.02918	8.4
67.05488	9.0
69.03416	19.4
69.07062	9.8
70.06606	11.3
71.04974	3.4
73.02924	3.1
79.05497	6.7
81.03407	9.2
81.07047	10.7
82.17815	2.0
83.05000	4.9
83.08616	3.2
84.08142	5.2
85.02908	32.6
85.06562	2.3
86.06075	4.8
87.04463	3.0
91.05476	7.7
93.07048	15.2
94.06527	2.6
95.04951	4.5
95.08608	22.6
96.08134	11.2
97.02908	13.9
97.06522	6.8
98.06033	6.6
98.09695	4.7
98.21524	5.4
99.04473	3.3
100.07598	10.9
105.07036	12.0
107.08600	21.3
108.08118	7.1
109.02877	6.1
109.06509	6.5
109.10166	13.6
110.06062	3.1
110.09653	4.2
111.08052	2.6
112.03992	3.3
116.07113	3.9
119.08594	19.1
121.10127	20.9
122.25769	2.3
123.07996	3.9
123.11744	3.8
124.07572	5.6
127.03909	9.0
131.08560	14.2
133.10139	24.8
135.08061	3.5
135.10075	2.2
135.11713	11.0
136.11200	3.0
137.05960	4.5
137.09622	10.4
137.13287	2.8
139.03920	4.0
139.11159	4.9
145.04944	3.9
145.10159	5.4
147.11708	6.3
149.09673	3.8
149.13268	9.8
151.11131	2.3
159.11598	5.0
161.01025	2.7
162.12653	3.3
163.14818	4.5
173.13245	7.8
175.14890	6.6
176.44167	2.8
180.59097	2.3
186.07585	4.2
191.14297	9.8
199.26291	2.6
204.08644	12.2
208.16991	3.5
209.15370	3.0
216.17601	2.2
226.18040	5.9
234.18581	12.1
235.16962	3.9
252.19585	100.0
270.20639	43.7
271.06052	5.9
414.24921	67.0
415.25189	4.4
432.26205	61.5
433.24500	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3157
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
55.05503	3.6
57.03430	1.0
57.07076	1.2
61.34006	0.9
67.05499	4.2
69.07053	4.5
70.26729	1.3
70.27120	2.0
71.04998	1.1
79.05492	3.2
81.07056	12.2
82.23830	0.8
83.01890	0.7
83.08617	2.3
91.05450	4.7
93.07042	7.0
95.04999	1.7
95.08604	13.9
98.98479	1.2
105.07028	25.3
107.08590	11.6
109.06492	1.1
109.10138	5.5
111.08054	1.3
113.00014	3.4
117.07032	0.9
119.08578	33.8
121.10145	9.6
123.11721	1.5
131.08571	1.7
133.10132	38.3
135.11710	2.2
141.01498	3.3
143.08553	1.3
145.10112	6.3
146.10922	1.3
147.11687	29.9
149.13240	1.3
159.11708	2.0
160.12482	2.8
161.13255	8.6
163.11140	2.1
181.12260	1.3
185.14890	0.9
189.16386	35.2
199.11182	1.2
235.16925	100.0
236.17311	3.6
241.15732	1.0
295.51468	0.9
431.31647	70.3
432.32001	3.5
449.32581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3156
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
50.03401	0.4
53.46255	0.3
55.01853	0.5
55.05507	5.6
57.07066	0.7
59.04999	0.9
65.03947	0.3
67.05505	4.3
67.43385	0.3
69.03419	0.7
69.07063	2.7
69.47191	0.4
71.04990	0.6
71.32687	0.8
79.05491	3.9
81.03399	0.5
81.07053	7.0
83.04977	1.9
83.08626	2.1
85.02924	0.4
85.06531	1.5
91.05453	3.6
93.07039	8.7
95.04950	1.1
95.08602	11.7
97.06538	1.0
97.10164	1.0
99.04441	1.0
101.06008	4.0
105.07027	6.1
107.05043	0.4
107.08597	14.9
109.06508	1.4
109.10155	4.9
111.08091	1.3
117.07005	1.1
119.08572	8.1
121.06511	4.1
121.10136	11.7
123.08086	1.8
123.11701	2.6
125.09640	1.7
129.07030	0.5
131.08575	2.8
133.06602	0.6
133.10132	6.1
135.08044	4.3
135.11688	8.6
137.09634	1.3
137.13275	0.6
138.67064	0.4
139.07582	0.4
139.11185	0.4
143.08557	1.2
144.09415	0.4
145.10117	4.1
147.08060	0.6
147.11693	5.9
149.09607	4.7
149.13260	3.6
151.03899	0.9
151.11136	0.5
153.09148	0.4
155.08514	0.5
157.10167	1.4
159.08066	1.4
159.11687	5.6
161.09615	1.6
161.13264	2.7
162.14075	1.0
163.11165	2.1
163.14812	5.6
165.12782	0.8
167.10603	0.7
169.10091	0.8
171.11725	1.4
173.09659	0.5
173.13254	4.9
175.11241	1.2
175.14850	1.8
177.05493	0.7
177.12730	3.7
177.16382	0.6
179.10701	0.6
181.12305	0.4
183.11693	1.0
185.13290	1.2
187.11214	0.9
187.14844	1.6
189.12787	0.8
189.16408	1.8
191.14345	1.3
193.12222	0.6
195.13795	1.9
197.13432	0.4
199.14822	1.2
201.12788	0.8
201.16429	1.0
203.14360	1.5
203.31783	0.4
205.15904	1.7
207.13847	0.6
209.15443	0.6
211.14964	0.5
213.16415	0.6
217.15863	1.4
228.14970	0.4
229.16049	0.4
231.17393	1.8
235.16905	2.3
241.08482	0.5
243.17480	1.2
247.08543	0.4
247.13284	1.5
249.18541	1.0
259.16812	0.5
261.18497	0.8
263.20123	0.6
271.20657	0.6
277.18033	1.7
291.19562	6.4
377.28543	0.4
395.29428	1.4
413.30481	1.4
431.31586	100.0
432.31946	5.5
432.37418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3156
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
53.03941	2.4
55.05508	13.9
57.07063	4.4
59.04990	2.4
60.04518	3.8
67.05504	14.9
69.03419	2.1
69.07058	9.3
70.19487	7.9
79.05497	12.3
81.03417	2.4
81.07055	30.2
83.05000	2.0
83.08634	10.0
85.06548	3.7
91.05499	7.1
92.05787	1.7
93.07049	26.9
95.04919	2.3
95.08611	49.3
97.06508	2.3
99.04466	2.1
101.06019	3.3
105.07030	17.1
107.08598	32.2
109.06509	4.0
109.10159	25.1
111.08099	16.4
117.07030	5.8
119.08587	20.9
121.06528	6.9
121.10152	25.0
123.08067	5.5
123.11710	35.7
129.07045	3.3
131.08531	8.9
133.10132	21.3
135.08060	21.4
135.11697	39.7
137.09662	4.2
142.07820	2.0
143.08563	4.3
145.10143	13.6
147.08005	3.5
147.11685	14.6
149.09618	17.5
149.13251	8.3
151.11201	3.8
153.09148	2.1
155.08516	2.9
157.10141	11.9
159.08157	2.9
159.11682	21.4
161.09567	8.0
161.13298	7.8
163.11221	3.9
163.14943	2.1
165.12808	2.0
170.10854	3.1
171.11740	6.5
173.13301	11.6
175.11227	7.2
175.14809	8.5
177.12715	14.1
177.16318	3.9
185.13266	9.3
187.11278	2.2
187.14848	7.4
189.12802	6.1
189.16417	7.8
189.18031	1.7
191.14366	6.3
195.13765	14.1
199.14775	9.9
201.12758	2.0
201.16484	3.1
203.14325	8.7
203.18085	1.9
205.15871	7.0
207.13782	3.4
209.13397	1.6
209.15401	3.0
209.96291	1.6
211.14906	2.0
213.16481	4.0
215.14272	1.9
217.15886	15.5
219.17432	3.6
231.17397	3.5
250.28242	1.8
255.17513	2.0
299.20114	2.0
343.22687	8.5
357.24188	2.6
377.28467	6.4
390.17133	1.8
395.29520	11.9
413.30505	62.2
413.35794	3.2
414.30927	3.6
431.31610	100.0
432.32092	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	431.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	2.5
53.03944	6.2
55.01873	12.6
55.05512	100.0
57.03423	3.8
57.07078	2.4
59.05013	2.9
61.58442	2.2
62.58298	2.0
66.25017	2.3
67.05505	57.2
69.03431	8.8
69.07065	21.5
69.40929	19.3
79.05494	81.8
81.03419	2.6
81.07056	53.2
83.04992	9.8
83.08617	43.6
85.06556	3.5
91.05466	23.2
93.03426	2.9
93.07043	31.8
95.04982	5.5
95.08598	11.6
97.10170	73.0
103.05481	19.1
105.03395	6.3
105.07027	17.0
107.04984	2.6
107.08591	45.1
109.06509	3.7
109.10136	14.3
111.08083	3.7
113.00038	7.8
113.51426	2.3
115.05462	9.3
116.06278	2.3
117.07023	29.1
119.08567	3.9
121.06504	2.5
121.10160	4.4
125.09632	95.1
128.06206	5.3
129.07002	27.1
131.04961	5.3
131.08583	21.0
133.06505	4.0
135.08063	28.5
137.09669	2.8
141.07007	9.2
143.04883	2.2
143.08614	10.5
145.06509	12.9
145.10150	7.8
149.09628	8.3
151.07574	3.0
153.09088	23.7
155.08556	10.8
157.06488	5.2
157.10124	4.1
157.12296	8.1
159.08054	3.8
165.07066	3.2
167.08589	6.0
167.76680	2.3
169.02609	5.2
169.10150	10.3
171.08000	3.1
171.10190	6.2
171.11748	8.2
181.10112	6.6
183.11736	4.3
185.13286	5.5
187.14786	3.7
189.11241	2.8
193.10159	2.1
193.12306	2.6
195.11696	8.3
197.09529	2.9
197.13263	9.1
203.12779	58.1
207.11674	2.7
209.13315	3.2
211.14806	2.1
213.12816	9.0
215.14317	49.5
221.13512	2.7
223.11212	5.5
223.14899	2.5
239.14459	3.7
241.12245	9.7
245.15407	9.7
247.17009	8.2
257.15448	3.9
269.15421	2.8
273.15039	12.9
285.18524	2.8
291.15823	3.6
302.85928	2.5
321.22058	3.0
339.23380	3.0
349.21603	25.0
353.24835	3.1
355.26334	2.8
367.18341	4.3
367.22702	50.1
371.26035	3.5
381.24258	20.5
399.20047	5.0
399.25272	80.1
400.25983	2.4
431.18784	3.1
431.27768	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	431.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01870	13.6
55.05510	99.3
57.03428	3.0
59.05001	1.9
67.05504	46.6
69.03425	8.6
69.07063	20.8
69.50968	13.3
72.36661	1.4
73.06518	1.4
79.05491	60.3
79.05959	3.1
81.07056	43.7
83.04980	7.7
83.08617	39.5
85.06549	3.5
91.04967	2.2
91.05470	22.8
93.07035	26.0
95.04961	4.7
95.08623	9.6
97.10168	81.2
99.08099	1.8
100.54429	1.6
103.05471	10.0
105.03410	3.4
105.07012	12.8
107.04952	2.1
107.08591	47.1
109.06525	2.9
109.10172	9.8
111.08078	6.6
113.00019	3.4
115.05445	5.4
115.95341	1.9
117.07011	22.4
119.08567	6.4
121.06464	2.1
121.10112	1.8
123.21696	1.6
125.09628	100.0
128.06216	3.5
129.06993	17.0
131.04922	8.9
131.08565	15.2
133.06464	4.0
135.08044	29.2
137.09586	3.5
141.06999	5.1
143.04959	3.5
143.08582	11.3
145.06519	11.8
145.10101	5.9
147.08038	2.8
147.11606	2.3
149.09593	4.2
153.09109	21.5
155.08557	7.2
157.06468	4.3
157.10141	4.1
157.12227	8.5
159.08058	5.1
166.07759	1.7
167.08606	4.2
167.10672	2.8
169.02611	3.1
169.10144	7.2
171.08072	2.3
171.10147	5.8
171.11671	7.6
173.13170	2.3
179.08456	1.9
181.10121	4.0
183.11693	3.2
184.60106	1.7
185.09554	2.0
185.13271	3.8
187.14877	2.3
195.11678	6.5
197.09746	1.8
197.13307	9.4
203.12772	64.2
209.13344	1.8
211.11148	2.5
213.12721	7.8
215.14314	48.4
221.13336	2.9
223.11191	4.0
241.12241	7.3
245.15363	3.9
247.17015	9.4
251.14423	2.6
255.13751	2.7
271.16943	2.0
273.14841	15.4
291.15897	3.1
303.21075	2.0
321.21997	3.5
331.20609	2.7
339.23166	5.0
349.21600	13.9
359.80356	1.8
367.22678	30.4
371.25259	2.3
381.24228	13.3
399.20056	3.6
399.25287	71.1
400.25674	2.4
431.27914	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01867	4.0
55.05507	11.1
56.96577	1.7
57.03443	1.6
65.03933	3.1
66.53636	1.5
67.05171	2.5
67.05506	32.2
68.99790	3.0
69.03416	5.0
69.07077	13.2
70.19654	6.3
71.04993	2.8
79.05498	26.8
81.03409	6.7
81.07056	21.8
83.01337	2.6
83.04979	2.7
83.08614	3.1
84.23127	1.6
91.05469	13.2
92.45714	1.2
93.07037	25.1
95.03304	1.5
95.04988	8.7
95.08608	25.0
97.02911	1.3
97.06535	3.9
97.10191	3.1
105.07031	12.7
107.04979	3.3
107.08597	14.6
109.02906	3.2
109.06521	3.0
109.10168	9.5
111.04469	2.3
117.07016	6.3
119.08600	7.4
121.06503	4.8
121.10132	10.3
123.04420	15.3
123.08085	1.5
125.02327	1.5
125.05988	4.2
127.03910	5.0
129.07011	3.5
131.08565	6.4
133.06564	1.6
133.10147	6.0
135.08064	1.7
135.11661	2.6
137.05986	6.6
137.09586	2.5
139.03903	37.0
139.11156	3.5
141.05505	8.0
143.08559	3.7
145.06435	2.4
145.10117	5.8
147.04379	1.6
147.08092	1.5
147.11760	1.7
149.05986	3.3
151.03903	100.0
151.07483	3.2
153.05466	91.9
157.06517	1.6
157.10175	3.1
159.11670	3.2
161.05972	4.6
161.09651	2.2
163.03938	12.9
163.07576	1.9
163.11089	1.8
165.05490	14.8
167.03447	2.2
167.06999	2.1
169.04884	1.6
173.06010	1.9
173.09665	1.8
173.13370	1.8
175.03917	3.5
175.07495	2.1
175.14821	1.6
177.05475	26.3
177.09091	1.8
179.03401	19.5
179.07028	13.9
183.38144	1.5
185.09732	1.7
187.07430	1.9
189.05504	7.1
189.09140	1.8
189.46802	1.4
191.03409	1.9
191.07039	22.9
193.04932	3.2
193.08618	16.3
201.12915	1.8
203.06984	4.7
203.12741	2.4
205.05017	2.3
205.08594	8.8
207.10178	2.7
215.07010	3.8
217.08702	2.6
219.10162	4.3
229.08684	3.3
229.12170	1.9
231.10181	5.7
243.10213	4.2
245.11743	5.8
247.13289	53.8
257.11792	3.8
259.13333	5.9
261.14828	16.4
271.13321	2.8
273.14685	1.6
273.18524	3.0
275.12787	28.4
277.14362	27.6
283.13342	1.6
285.14737	1.9
287.12885	8.2
287.16031	1.7
289.14429	4.3
293.13861	4.4
301.14377	4.0
303.15710	2.5
303.35330	1.7
305.13892	7.0
315.15955	2.0
319.15350	8.6
333.17059	2.1
339.23184	3.9
341.17462	3.3
345.16940	2.1
357.24463	1.7
359.18665	5.0
367.22488	3.8
385.23712	17.1
395.22165	6.5
403.24997	2.1
413.23212	24.4
413.29080	2.0
413.30222	1.4
431.19064	2.9
431.23477	2.4
431.28204	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	431.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01862	7.2
55.05506	28.5
57.03436	29.9
57.07067	4.4
61.02928	44.5
65.03912	3.2
66.51399	2.4
67.05505	75.3
68.38054	2.4
69.03083	2.9
69.03429	31.6
69.07066	28.2
69.37617	16.5
69.38044	11.2
71.01353	5.7
71.04977	6.8
73.02917	19.5
79.05490	47.3
81.03419	34.2
81.07054	100.0
82.15530	2.9
83.04977	41.5
83.08620	22.1
84.31858	2.3
85.02902	50.6
85.06532	7.9
91.03952	20.1
91.05457	33.7
93.06480	4.3
93.07040	64.7
95.04952	12.6
95.08607	33.2
96.30682	2.7
96.38765	3.0
97.02885	36.1
97.06512	15.8
98.21483	3.5
99.04459	8.0
99.08068	6.5
101.02377	9.2
103.03937	5.0
105.04543	2.7
105.07036	19.6
105.92466	2.7
107.04951	6.6
107.08591	32.9
109.02859	10.7
109.06501	3.7
109.10143	10.8
111.04435	12.2
111.08068	7.6
115.03938	4.0
116.36645	2.8
117.06995	14.6
119.08556	12.5
121.06470	4.2
121.10126	21.5
123.04395	3.6
123.08028	3.6
123.11702	7.0
127.03912	18.0
129.05508	15.4
129.06970	4.2
131.08574	16.4
133.10117	21.6
135.11685	12.9
137.05940	6.7
138.05493	3.9
145.04915	4.5
147.11636	10.3
149.13260	53.6
153.05479	3.0
159.11699	33.5
159.87245	2.8
160.92160	2.5
165.12778	5.2
167.14310	4.7
169.64278	2.4
170.83508	2.5
173.09409	3.0
173.13190	4.6
177.12776	26.0
179.14212	3.4
179.35669	2.7
183.06458	3.9
195.13802	42.6
213.14871	5.1
237.26315	2.7
269.14532	4.7
269.17468	98.0
303.16013	4.2
377.19562	5.1
413.21521	8.3
413.26816	5.1
431.27438	8.9
434.01932	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	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.5
54.07191	2.9
54.33952	2.4
55.01865	6.8
55.05511	29.6
56.96544	3.4
57.03434	24.3
61.02926	39.7
67.05178	4.4
67.05503	75.2
68.05827	2.7
69.03429	34.6
69.07068	21.4
71.01323	4.7
71.04982	12.1
71.59501	3.9
73.02917	19.7
79.05487	47.2
81.03416	35.2
81.06581	5.6
81.07056	100.0
83.04985	37.9
83.08618	22.1
83.21844	3.0
85.02420	4.0
85.02901	38.9
85.06557	7.0
91.03958	18.9
91.05462	29.7
93.07047	72.4
95.04965	11.6
95.08609	35.5
97.02888	38.3
97.06532	15.0
98.98473	4.3
99.04442	11.8
99.08069	8.2
101.02362	10.6
103.03907	6.4
105.07034	19.7
107.04960	6.9
107.08595	40.3
108.34841	2.8
109.02879	10.7
109.06507	9.1
109.09407	3.0
109.10149	10.9
111.04425	10.3
111.08083	13.3
117.07040	17.6
119.08577	12.5
121.06512	9.3
121.10157	24.5
123.08001	4.5
123.11720	7.2
127.03919	21.2
129.05490	15.9
129.06984	3.4
131.08574	14.9
133.10164	19.6
135.08057	6.0
135.11667	14.9
137.05962	10.6
138.05498	12.0
139.05762	3.5
143.08557	4.9
145.05006	3.1
145.06482	4.5
145.10074	6.0
146.06058	8.2
147.11697	13.9
149.09663	3.4
149.13266	45.5
159.11653	17.9
161.13322	3.1
163.07550	4.4
165.12724	3.9
170.05966	3.6
175.07607	3.9
177.09111	5.1
177.12738	18.5
183.06630	4.7
188.07069	10.1
191.10593	3.2
193.12251	4.1
195.12053	3.3
195.13785	33.8
201.07587	3.6
213.14821	6.1
244.13359	12.4
269.17484	90.7
303.16113	3.4
361.61060	3.8
413.21921	7.5
431.22479	5.9
431.28043	10.5
450.67114	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01858	7.6
55.05513	13.3
55.05736	3.4
57.03434	25.1
57.07072	2.4
61.02924	65.3
65.03928	2.0
67.05502	73.2
69.03422	32.0
69.07069	28.8
69.33092	15.9
71.01332	5.2
71.04986	7.5
73.02913	25.7
74.40958	2.0
79.05490	38.0
81.03416	25.3
81.07052	100.0
82.03795	2.1
83.04977	12.1
83.08624	16.6
85.02898	52.5
85.06520	8.1
87.04453	2.9
91.03948	34.4
91.05460	24.0
91.16586	2.1
93.06474	4.1
93.07038	72.9
94.07348	2.5
95.04950	8.2
95.08605	29.1
97.02887	49.1
97.06516	15.5
97.10162	2.7
99.04433	12.2
99.08072	5.3
101.02370	12.6
103.03925	8.5
105.07021	12.2
107.04917	2.0
107.08587	35.6
109.02872	19.1
109.06510	5.2
109.10146	5.6
111.04490	2.0
111.08083	12.1
113.06036	2.1
115.03898	5.9
117.07004	11.8
119.08575	5.4
121.06460	2.3
121.10116	22.5
123.11691	4.8
126.33553	2.0
127.03912	28.5
129.05472	3.0
131.08554	12.1
133.10143	13.3
135.04369	2.4
135.08066	3.9
135.11694	16.4
137.05971	3.6
137.09622	2.4
139.11189	2.5
145.04951	6.8
145.10110	2.3
147.11653	4.8
149.09627	2.6
149.13248	67.1
150.13640	2.4
151.07542	4.0
151.11200	3.4
151.61665	1.7
157.10153	4.6
159.06459	2.4
159.11687	29.3
161.05850	2.5
167.07062	2.0
177.12752	18.8
183.06480	4.8
195.13803	46.7
201.07587	3.1
213.14879	2.7
229.57130	2.0
242.91454	2.0
269.17462	81.1
270.17743	4.7
290.04553	1.9
297.16913	5.4
311.18402	4.6
320.06189	2.0
377.19629	3.1
413.21783	5.2
431.22583	3.5
431.28021	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	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01869	11.0
55.05508	20.0
56.96558	2.3
57.03436	29.7
57.74009	2.1
61.02642	2.7
61.02926	33.1
65.03950	3.2
66.50021	2.0
67.05502	69.9
67.17095	1.7
69.03429	28.7
69.06774	2.0
69.07068	23.2
71.04991	10.6
71.08544	2.0
71.58784	2.9
73.02921	17.6
74.28732	1.9
79.05489	43.0
79.08306	2.0
81.03419	29.8
81.06583	4.9
81.07058	100.0
83.04977	34.8
83.08613	16.6
85.02907	38.3
85.03419	2.5
85.06532	6.4
87.04435	3.4
91.03968	16.6
91.05466	26.1
93.06470	4.4
93.07044	63.7
93.07635	4.4
95.04980	10.7
95.08608	33.6
97.02892	36.5
97.06539	13.3
99.04472	11.9
99.08100	6.6
101.02394	12.2
103.03943	6.2
105.07029	18.7
107.04962	5.4
107.08585	33.5
109.02889	10.0
109.06506	8.0
109.10137	8.8
111.04433	9.2
111.08069	10.2
115.03931	4.6
117.05489	2.5
117.06994	13.7
117.53481	2.5
119.08578	9.2
121.06490	4.3
121.10145	22.5
123.08077	2.9
123.11754	4.3
125.05962	2.2
127.03909	16.4
129.05479	15.5
129.06984	4.3
131.08559	17.7
133.06439	3.2
133.10139	15.7
135.08046	4.4
135.11682	14.0
137.05959	5.0
138.05508	3.3
143.08514	3.2
145.04967	5.4
145.06490	2.3
145.10118	4.2
147.11667	9.0
149.09604	3.1
149.13251	46.5
153.05363	3.4
155.08559	2.5
157.10081	3.8
159.11687	30.6
161.13289	3.2
165.12781	3.3
177.12733	17.9
186.86018	2.3
195.12003	3.1
195.13803	37.4
197.13135	2.6
201.07605	2.5
213.14880	3.3
261.14999	2.1
267.15857	2.9
269.17493	95.2
270.17892	4.3
297.16760	2.5
303.15775	3.9
335.18433	2.4
339.18332	2.7
413.21759	11.3
431.22580	4.1
431.27505	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	431.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55404	2.9
53.03935	8.9
54.87521	2.8
55.01863	9.0
55.05503	27.5
57.03434	25.5
61.02927	30.0
67.05502	72.2
67.31501	3.2
69.03428	31.8
69.07061	23.0
71.01350	6.6
71.04993	11.9
73.02921	18.8
79.05072	4.2
79.05492	42.9
81.03416	40.8
81.07053	100.0
83.04980	32.6
83.08612	18.6
85.02906	41.5
85.06544	7.5
91.03951	15.6
91.05453	30.5
93.07042	68.9
95.04964	17.4
95.08605	36.9
96.94729	3.3
97.02898	35.3
97.06552	15.4
97.10155	3.3
99.04459	13.3
99.08124	5.7
101.02380	6.5
103.03968	4.5
105.07021	18.2
107.04993	7.0
107.08597	33.5
109.02887	11.4
109.06529	9.1
109.10178	10.5
111.04424	8.8
111.08081	11.1
115.05447	3.6
117.07014	21.0
119.08579	16.4
121.06532	5.5
121.10126	23.0
123.11686	7.9
125.09608	3.8
127.03913	22.1
129.05484	8.6
131.08582	18.1
133.10130	16.2
135.08076	5.5
135.11673	14.1
137.05997	5.9
141.07077	3.3
142.79190	3.8
143.08568	4.3
145.10155	8.5
147.11703	11.2
149.09586	3.8
149.13272	47.8
152.59805	3.3
157.10127	6.5
159.11662	24.4
165.12810	5.2
171.11766	3.5
177.12758	25.6
195.13843	33.4
213.14912	5.5
249.14941	3.4
269.17462	86.7
269.20181	6.5
270.07928	3.2
287.35413	3.3
295.76535	3.1
297.17191	3.7
339.18106	3.9
413.21899	5.1
431.11771	3.7
431.23087	6.3
431.27991	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	431.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.05503	6.2
67.05491	11.9
69.03442	9.9
69.07077	14.0
70.06593	3.5
71.04987	3.1
71.59435	2.6
72.08157	3.4
79.05484	8.4
81.03412	15.7
81.07040	16.0
83.04974	13.5
85.02900	10.3
86.09698	8.7
91.05421	10.4
93.07064	9.8
95.04962	7.9
95.08598	6.3
96.54795	1.9
97.02882	7.0
97.06533	21.5
98.97564	3.0
99.04449	9.4
103.05459	2.0
105.07029	23.3
107.04977	10.5
107.08575	11.1
109.02879	7.3
109.06507	6.8
111.08103	2.5
116.98602	2.8
117.06994	4.1
119.04955	2.3
119.08581	5.6
120.08033	3.2
121.06512	15.7
121.10165	3.5
122.05980	3.3
123.08099	2.4
125.05969	18.9
127.03977	4.1
128.06174	2.6
129.07001	3.0
130.06564	2.9
130.07776	2.8
131.04980	1.9
131.08568	8.7
133.06476	4.1
133.10103	5.7
135.08055	4.0
135.11717	4.0
137.05945	6.9
137.80962	2.4
141.06909	2.2
143.07019	8.8
143.08577	3.8
144.09332	2.2
145.04915	2.5
145.06488	3.3
145.10123	29.5
147.04454	3.0
149.13199	2.8
151.07532	4.4
155.08571	3.4
157.07585	3.0
158.07249	3.5
159.07997	3.4
159.11688	9.9
163.07607	3.3
163.11176	27.5
169.10114	2.1
172.08913	3.0
173.09602	28.2
177.12836	4.1
187.11136	23.8
187.12952	3.1
191.10660	8.1
197.09650	3.2
205.12209	14.1
215.10619	15.2
233.11725	14.8
243.15904	3.9
251.12645	2.3
345.11716	2.4
369.26093	4.2
372.41391	2.2
385.25482	2.8
387.16589	3.3
413.25027	8.1
431.18814	100.0
431.25995	28.5
432.19647	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	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95580	1.4
53.03951	10.4
54.81517	1.8
55.01871	12.5
55.05508	1.7
57.03440	8.0
61.02927	8.0
67.05474	2.1
69.03432	37.7
69.74915	1.5
70.03733	2.2
70.06572	2.3
70.85280	3.8
70.85614	1.5
71.04983	5.9
73.02934	10.8
73.62363	1.6
79.05486	2.1
81.03421	38.9
81.07047	2.4
85.02908	100.0
87.00826	36.1
91.03942	3.1
92.03812	1.6
93.07064	3.9
95.08630	1.9
97.02895	43.9
98.06036	4.8
99.04459	19.1
105.01865	36.9
108.04488	12.7
109.02873	37.8
109.10181	1.9
117.01846	7.0
119.08626	1.5
121.10111	2.0
126.05513	6.3
127.03916	86.6
129.01839	4.5
135.08018	1.7
137.05954	4.2
145.04953	36.9
147.02866	3.8
151.07616	1.7
155.05945	2.1
157.06525	1.8
158.11789	1.7
159.02876	31.3
165.09138	2.6
167.05600	1.6
169.07645	3.9
177.04033	1.8
183.05283	1.5
187.07605	2.0
189.09137	3.1
193.07677	2.1
195.05563	2.3
196.06378	1.8
197.07153	3.5
213.03941	4.1
213.06647	1.7
225.06599	4.2
229.05997	1.6
230.06606	4.3
231.05003	16.1
231.10083	2.7
239.08195	3.2
248.07782	3.5
251.10120	1.5
267.07709	2.0
271.07199	3.3
295.07141	3.8
313.08032	2.9
366.14200	1.9
370.14102	5.8
384.15277	3.5
400.19254	1.4
412.14868	5.0
430.16037	8.9
430.27945	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88276	1.3
53.03948	9.0
55.01865	10.1
55.05499	3.0
57.03417	5.8
57.25011	1.2
57.41561	1.2
60.04508	1.7
60.34025	1.2
61.02919	6.9
67.05495	3.7
68.99782	5.7
69.03081	2.6
69.03428	37.7
69.07048	1.4
70.06586	2.7
71.04984	6.0
71.59222	1.8
72.08164	1.6
73.02925	11.5
79.05490	1.9
80.78600	1.2
81.03417	42.4
81.07049	4.1
84.04480	1.4
85.02906	100.0
86.06066	5.0
87.00832	33.6
87.04464	9.3
91.03943	2.0
91.05421	1.9
91.05849	2.4
93.07037	3.8
95.08604	2.4
97.02283	2.4
97.02893	38.4
98.06055	17.4
99.04453	20.8
105.01869	34.1
105.07045	2.7
108.04507	6.7
109.02885	38.3
116.07115	1.4
117.01860	7.0
126.05529	5.9
127.03918	81.3
128.04237	1.6
129.01822	5.4
137.05965	5.0
140.10695	2.4
141.42508	1.3
145.04956	32.2
147.02916	3.5
149.09592	1.3
158.11804	10.4
159.01689	2.3
159.02901	24.8
165.09035	1.9
175.07536	1.4
177.09145	2.3
187.07489	1.4
189.03935	1.6
189.09093	3.8
196.13344	2.2
207.10226	1.5
213.03981	2.7
214.14386	16.1
230.06781	1.4
231.05011	12.8
231.10229	2.1
248.07735	3.1
273.11246	2.2
275.61441	1.3
430.27878	8.6
431.18942	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	430.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84075	0.8
51.52195	0.7
56.69147	0.7
60.04527	18.2
63.95149	0.7
68.05008	0.9
70.02956	2.9
70.12505	2.4
70.12915	1.9
97.92953	0.8
98.21407	0.9
105.36633	0.8
106.06583	2.4
107.04973	3.4
118.04147	1.5
118.06546	4.4
119.04960	2.0
119.07324	25.0
120.04493	1.0
121.02872	0.8
122.06036	3.5
123.04456	1.0
130.06549	2.6
131.04968	1.2
131.07285	1.5
132.04428	1.7
132.05734	1.3
133.02887	2.3
133.05199	1.8
134.06018	13.8
135.04459	1.1
135.06795	26.0
144.05786	0.9
146.05983	4.8
147.04395	1.2
147.06804	2.5
150.05527	5.6
158.06049	2.6
159.06776	8.0
162.05600	1.0
163.03949	1.6
174.05556	2.8
179.08585	1.1
206.40315	0.9
207.08064	2.3
210.06697	0.9
220.06273	1.1
223.07574	1.4
224.10756	1.3
225.09142	2.2
235.05373	1.0
235.07381	4.2
236.08159	1.2
237.09135	3.4
239.07054	1.7
240.10219	4.2
241.08669	4.0
252.10226	9.8
253.08562	1.4
253.10950	1.2
253.57312	1.0
254.11775	6.4
256.09683	3.3
264.10278	2.4
265.11194	1.6
268.12051	0.9
269.12851	20.2
270.11200	18.9
270.13782	1.5
278.11655	1.6
280.09732	4.2
281.08191	1.8
281.12790	1.0
282.11212	3.0
283.14417	1.6
284.12778	1.1
293.12842	8.6
294.11295	4.8
295.14432	2.3
298.10672	5.6
311.13791	7.0
312.12335	3.0
315.13385	32.3
321.12283	1.5
322.10806	1.3
339.13461	11.7
357.14413	2.6
367.12857	8.6
384.15588	2.4
385.13934	100.0
386.14264	3.4
394.13950	1.0
395.12384	3.4
402.16754	1.2
402.59344	0.8
412.15134	10.1
413.13455	3.7
430.16098	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.4
55.01855	2.9
55.05502	8.5
56.05037	4.9
60.04512	12.6
62.52436	2.8
65.03934	11.3
67.05507	17.0
69.03433	16.4
70.02952	3.0
70.06589	9.5
71.01335	3.2
71.59167	3.7
72.04506	4.4
79.05498	2.9
81.03410	6.7
83.04980	52.1
84.04513	15.2
84.08147	4.6
85.02898	16.7
86.09694	3.4
87.04459	3.4
89.03885	2.8
91.05392	4.9
91.05862	6.8
93.03396	18.2
94.06564	4.1
95.04954	19.1
97.02874	5.9
100.04014	4.4
103.05444	4.6
105.03379	4.8
107.04967	11.7
108.08118	3.8
109.02894	4.8
110.06019	2.6
111.04445	57.8
118.06535	10.3
119.04948	8.0
120.08112	6.6
121.02870	14.9
122.06053	11.7
123.04436	40.9
124.07559	5.9
127.03905	3.0
129.05475	21.3
129.10246	7.0
130.04988	2.7
131.04950	8.1
132.44788	2.9
133.02858	25.7
134.06029	7.2
135.04417	8.9
136.07558	10.1
137.05962	9.3
138.05493	4.9
139.02174	2.9
139.03909	38.8
140.17699	2.5
145.02831	3.2
146.06000	30.0
147.04420	29.8
148.03903	8.0
148.07547	14.6
149.02362	22.7
149.05933	5.3
150.03032	3.0
150.05495	15.3
151.03889	20.4
152.05988	3.1
152.07106	10.7
153.01767	4.6
153.05450	3.2
157.04984	12.9
159.04355	6.6
161.02353	5.6
161.05975	3.5
162.05501	9.2
163.02927	2.5
163.03949	25.1
163.06201	4.9
164.05678	5.2
164.07071	100.0
165.04216	6.9
165.05484	12.4
165.07813	6.3
166.08698	4.0
167.03398	8.2
167.05574	4.6
174.05530	19.4
175.03943	12.5
175.06136	7.0
176.03383	5.3
176.07036	20.8
177.01840	19.0
177.05441	8.9
177.07649	2.6
178.05066	14.4
178.08649	5.1
179.03365	19.5
180.06540	7.9
181.07208	3.3
182.08104	5.4
190.02350	2.6
192.06570	46.3
193.04971	6.5
193.07013	4.1
194.04491	28.9
194.08113	19.3
195.02901	17.9
196.06139	5.0
197.04434	4.3
202.04964	19.7
203.03383	12.7
203.05260	4.8
204.06627	5.4
208.09738	8.4
210.07631	13.7
218.99422	2.7
220.06065	47.1
221.04486	7.9
222.07637	4.8
238.07104	41.0
239.05438	3.2
250.10759	4.7
256.04276	3.2
256.08197	9.9
268.11761	5.1
268.15488	3.6
308.51065	2.7
353.08774	6.6
360.02948	5.7
366.11639	3.0
377.28296	3.0
394.11310	5.4
412.12476	36.9
413.11487	3.1
430.13950	24.0
430.21320	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	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.77509	1.5
55.05488	2.7
57.07080	16.0
67.05489	5.8
69.07053	4.0
69.62428	1.3
69.62737	11.8
71.08630	12.3
79.05489	2.4
81.07063	7.7
83.08630	2.5
84.18273	1.5
85.10177	6.1
91.05769	5.6
93.07041	2.2
95.08628	7.9
95.09143	1.6
97.10149	1.8
98.21474	3.1
105.07034	2.8
107.08574	6.5
109.10159	7.3
111.04398	1.9
119.08575	3.5
121.06470	2.0
121.10136	4.6
122.07294	1.6
135.08003	5.1
135.11658	2.1
136.08820	2.2
137.09621	12.8
139.07521	2.8
145.10156	3.6
149.09627	15.7
151.07562	2.3
157.10059	1.5
159.07976	1.7
159.11734	2.9
163.11188	21.8
164.08279	6.0
165.09111	100.0
167.05511	1.9
173.09570	1.5
175.11165	6.7
176.08311	1.7
177.09053	10.6
179.10631	1.8
179.66769	1.5
187.11234	3.0
190.09850	2.1
191.10655	11.3
201.12741	2.6
203.14459	1.9
205.12196	13.9
215.14316	2.6
218.52428	1.6
219.13806	6.7
233.15233	3.5
261.18582	2.1
289.21756	1.8
303.23431	1.9
359.02548	2.0
411.36145	2.7
429.31821	5.6
429.37161	30.2
430.38034	13.2
437.57449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02808	2.8
51.15052	2.7
53.03934	9.5
55.01872	16.3
55.05507	24.3
56.96581	4.0
57.03444	26.0
61.02925	19.9
62.08282	2.7
65.03949	5.7
67.05506	35.5
69.03432	27.0
69.07043	8.3
69.51877	19.3
69.52285	6.6
70.06575	10.5
71.01366	4.3
71.04976	10.0
72.08137	6.0
73.02912	13.0
73.04750	5.5
75.78561	3.1
78.49750	3.2
79.05073	3.7
79.05497	43.4
81.03419	100.0
81.07051	36.4
83.04975	13.1
83.08602	15.2
85.02903	36.0
86.09702	11.7
91.03949	13.1
91.05389	37.0
91.05877	5.1
93.07040	24.5
95.01326	10.3
95.04971	87.3
95.08609	17.0
97.02292	3.5
97.02892	42.3
97.06538	8.1
97.10158	9.6
99.04440	7.2
103.03952	16.8
105.07031	32.7
107.04957	25.0
107.08607	24.9
109.02885	20.1
109.06524	17.7
109.10127	7.1
111.04424	12.4
111.08057	8.0
117.07033	15.9
119.04965	5.7
119.08582	23.4
120.08106	3.7
121.02902	4.1
121.06475	13.8
121.10149	12.6
123.04427	53.7
123.08024	5.8
125.09637	7.5
127.03912	17.8
129.06976	14.9
131.04898	11.2
131.08519	17.2
133.06451	8.2
133.10120	12.2
135.04453	4.4
135.08047	4.6
135.11678	10.1
136.03911	3.4
137.05956	6.8
137.09621	4.2
140.67216	3.4
143.08572	8.2
145.06544	6.5
145.10118	18.8
147.04405	18.3
147.08022	8.7
147.11699	17.7
149.06007	5.1
149.09563	7.6
153.09097	6.5
157.10152	10.8
159.11691	3.8
161.05939	8.1
161.09543	4.1
163.11197	25.3
165.12813	5.5
167.05560	9.1
167.06873	3.8
171.11671	9.6
173.09641	9.7
175.07495	3.5
175.11177	10.4
189.05565	6.3
189.12654	10.8
193.12262	38.3
205.12196	8.9
207.13776	11.1
211.13272	34.5
217.12221	10.5
235.13280	65.6
246.14801	9.2
249.14810	9.4
253.14122	4.0
259.13281	16.7
267.15994	20.9
273.14926	29.8
277.14395	6.1
283.13226	3.4
285.16891	7.0
289.14374	7.7
301.14236	22.2
309.13861	4.2
309.16974	33.9
319.15414	7.0
351.17999	5.4
357.16251	4.2
359.02811	8.9
375.17874	19.8
381.13950	5.2
393.18979	10.5
411.19913	7.8
429.16092	6.3
429.21143	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.0
55.01859	11.4
55.05519	17.8
57.03440	26.2
61.02692	3.5
61.02935	34.9
65.03934	6.3
67.05502	37.4
67.30901	4.5
69.03429	25.1
70.72025	6.0
71.01342	7.8
71.04993	7.3
73.02940	18.0
79.05489	34.8
81.03417	96.7
81.07062	29.7
82.37483	3.2
83.04969	14.5
83.08612	22.0
85.02901	44.0
91.03946	12.8
91.05442	33.7
93.07043	27.5
95.01323	5.3
95.04976	100.0
95.08605	12.5
97.02895	43.7
97.06501	6.8
97.10191	11.1
99.04462	6.4
101.02387	6.7
103.03934	13.5
105.07038	28.7
107.04958	20.2
107.08594	20.7
109.02874	23.3
109.06502	17.1
109.10156	7.7
111.04433	8.1
111.08074	10.1
115.05459	4.1
116.15815	3.4
117.07013	12.5
119.04929	3.8
119.08585	23.5
121.06462	17.7
121.10130	16.0
123.04435	60.3
123.08049	4.1
125.09603	6.9
125.78371	3.7
127.03928	14.1
129.06995	14.0
131.04907	7.6
131.08606	18.4
133.06465	10.6
133.10123	10.8
135.08044	5.8
135.11745	9.3
135.13031	4.0
137.05989	12.7
143.08588	7.4
145.06458	7.1
145.10133	21.3
147.04407	14.7
147.08078	6.6
147.11668	13.0
149.06067	7.5
149.09630	11.2
155.08549	6.3
157.10133	11.4
159.08043	5.9
161.06038	5.3
163.11172	20.5
171.11729	9.1
173.09688	8.0
175.07631	4.7
175.11185	11.4
187.11165	5.2
189.05525	8.1
189.12732	8.9
191.10735	5.0
193.12257	47.7
199.11121	4.2
205.12238	5.2
207.13795	11.3
211.13274	27.1
217.12292	7.6
223.13208	4.4
231.13841	4.2
235.13292	77.3
247.13390	6.4
249.14919	11.0
253.14244	5.2
259.13260	18.1
267.16046	26.5
273.14874	28.4
285.17117	4.6
289.14212	4.8
291.15891	6.4
301.14371	22.3
309.17004	34.4
319.15442	7.8
375.18024	19.0
385.18622	4.3
393.19159	9.8
429.21255	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	429.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01870	4.5
55.05509	14.3
57.03437	16.6
59.05000	2.0
61.02910	1.8
65.03938	3.2
67.05499	17.0
69.03428	30.9
69.07065	7.2
71.04985	6.8
71.59148	2.1
71.59589	2.4
73.02915	2.7
73.04751	1.7
79.05487	19.6
81.03416	88.6
81.07050	20.6
83.04982	22.7
83.08614	24.2
85.02905	20.7
87.04500	2.1
91.05453	25.2
93.07046	16.5
94.33591	1.6
95.04970	24.8
95.08607	10.6
97.02887	49.6
97.06503	4.4
97.10159	6.9
99.04459	8.9
99.08093	2.0
105.07036	16.2
107.04936	7.0
107.08566	9.4
109.02880	12.8
109.06516	5.1
109.10165	6.5
111.04443	8.1
111.08108	13.7
112.04688	1.6
113.06030	2.4
117.07013	3.9
119.08565	16.4
121.06525	7.0
121.10149	8.1
123.04416	1.8
123.08066	3.3
125.09680	3.1
127.03902	15.7
128.64018	1.7
129.05475	4.4
129.06996	7.6
131.08583	8.5
133.06476	4.8
133.10133	8.3
135.11659	3.6
137.06017	2.5
141.06885	1.7
145.10129	5.5
147.08064	3.9
147.11713	15.7
147.49770	1.7
149.02359	4.8
149.05962	1.9
149.09627	4.8
151.07600	3.3
155.08649	2.9
157.10159	14.7
163.11232	3.8
165.12810	2.4
167.05534	2.0
171.11652	3.1
173.09509	2.0
175.11163	15.9
181.12297	2.4
189.11150	3.0
189.12721	2.7
191.10657	2.3
193.04941	5.8
193.12233	67.9
199.81860	2.0
211.13292	100.0
217.12126	2.2
227.12822	5.7
229.14433	3.9
236.02380	2.1
237.07620	3.0
249.14853	7.0
265.14285	3.0
267.15918	2.6
285.16895	19.0
301.14334	2.9
313.16486	3.9
319.15509	2.7
337.16528	2.6
351.18280	2.0
355.17484	3.3
359.02899	4.5
411.20093	4.2
429.11856	6.5
429.21213	47.4
429.31891	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18038	1.3
53.03943	6.6
54.96942	1.3
55.01862	3.5
55.05507	13.7
57.03437	14.2
62.20030	1.2
67.05502	15.4
69.03427	27.2
69.07056	4.5
70.06071	1.0
70.70853	1.2
70.84081	3.2
70.84415	1.5
71.01358	2.2
71.04994	7.8
73.02914	5.6
79.05492	17.2
81.03414	84.1
81.07055	19.9
83.04980	18.5
83.08617	20.8
85.02898	20.1
85.06547	2.7
91.05451	16.3
93.07043	12.4
95.04967	21.9
95.08596	5.8
97.02888	54.6
97.06530	4.0
97.10141	6.2
99.04454	5.4
103.03921	1.6
105.07028	12.9
107.04924	6.5
107.08572	7.7
109.02859	9.7
109.06480	4.7
109.10132	2.7
111.04450	8.1
111.08065	10.8
115.05450	1.9
119.08581	14.2
121.06492	2.0
121.10119	6.8
123.04418	1.8
123.08079	2.5
125.09611	2.6
127.03910	12.7
129.05487	4.8
129.07011	8.1
131.08582	10.0
133.06496	2.4
133.10114	5.9
135.08072	1.5
137.06007	1.4
137.09608	3.0
142.07677	1.5
145.10144	2.9
147.08002	3.5
147.11684	13.1
149.09622	5.2
153.12743	2.0
157.10095	10.4
163.11200	3.2
165.12788	3.9
168.12781	1.3
175.11177	14.5
181.12257	2.6
183.06573	3.2
191.10683	3.2
193.04996	1.7
193.10414	1.7
193.12238	65.5
211.13280	100.0
212.13684	2.9
227.12802	5.2
229.14372	3.9
235.13385	1.7
249.14880	6.5
265.14310	1.7
267.15936	2.9
273.15009	1.4
277.14316	2.3
283.15387	2.2
285.16919	16.5
289.14380	1.8
301.14215	1.5
309.17035	1.7
319.15393	1.5
337.16693	2.7
355.17404	3.8
393.19122	2.3
411.20209	3.5
429.12292	1.7
429.21194	40.6
429.30151	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01861	4.9
55.05517	17.0
57.03428	12.8
59.04979	2.3
61.02912	4.2
67.05503	21.1
69.03432	32.5
69.07067	14.5
71.04987	9.1
73.02916	4.9
79.05500	22.9
81.03417	90.4
81.07056	32.1
81.81828	1.8
83.01367	2.2
83.04989	16.0
83.08624	23.0
85.02906	24.5
85.17599	1.8
91.03963	2.1
91.05411	19.4
93.07039	18.0
95.04966	32.7
95.08603	22.3
97.02284	4.0
97.02888	55.8
97.06508	2.6
97.10162	8.4
98.06003	2.8
98.20730	4.5
99.04438	6.0
99.08080	2.4
101.02360	3.7
103.03915	4.1
105.07028	19.1
107.04964	7.3
107.08607	12.3
109.02875	11.6
109.06509	6.1
109.10152	9.4
109.87014	2.0
111.04439	9.0
111.08107	10.6
113.05988	2.8
115.03841	2.0
117.07005	4.2
119.04937	2.4
119.08591	16.1
121.06510	8.7
121.10152	11.6
123.08062	3.8
123.11694	7.3
125.05960	2.4
125.09641	3.9
127.03934	14.2
129.05508	3.5
129.07024	9.4
131.08546	11.9
133.06523	3.3
133.10121	9.3
135.11740	3.4
137.05978	38.2
137.09583	5.0
142.07806	3.4
143.08611	3.6
145.04941	2.5
145.10135	5.6
147.08028	5.0
147.11697	13.0
149.02376	5.1
149.06033	2.9
149.09604	7.1
151.07536	6.1
157.10098	11.1
159.11754	3.6
161.09686	3.3
163.07521	8.6
163.11208	6.3
165.09230	3.1
165.12775	4.0
167.05560	4.2
171.11653	3.2
173.09680	2.4
173.13184	2.4
175.07576	2.5
175.11134	13.9
177.09111	28.8
181.12248	2.5
189.09090	5.9
191.10664	14.2
193.04932	4.4
193.12254	66.7
201.09055	2.8
208.32259	2.2
211.13281	100.0
212.13672	3.7
217.12321	3.5
227.12724	2.2
229.12303	3.2
229.14325	3.2
235.13309	2.9
245.15208	2.0
249.14902	8.0
267.15833	2.9
271.17175	2.6
285.16946	13.1
289.18060	4.1
301.14343	3.1
313.16602	4.0
319.15204	3.1
337.16745	3.1
355.17587	3.7
359.02744	4.6
401.30499	4.3
411.19711	2.6
411.29129	6.1
429.12164	4.6
429.21271	35.0
429.30615	14.1
429.35361	3.1
430.21167	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43788	4.9
53.03937	6.4
55.01854	8.9
55.05508	28.9
56.96539	7.9
57.03433	23.2
61.02931	43.6
65.03947	5.7
67.05497	42.7
69.03426	25.5
69.07056	18.6
71.58749	5.8
73.02914	26.0
77.51650	6.5
79.05482	49.2
81.03416	93.2
81.07054	41.6
83.04984	21.0
83.08617	24.3
85.02906	40.6
91.03957	19.3
91.05468	29.8
91.05891	13.1
93.07050	38.4
95.04965	100.0
95.08582	27.6
97.02880	39.2
97.06517	9.5
97.10138	6.4
99.04452	10.5
101.02356	6.8
103.03945	14.2
105.07023	34.5
107.04951	22.0
107.08600	24.1
109.02863	18.3
109.06551	16.5
109.10176	14.8
111.04426	11.9
115.05446	6.0
117.07038	15.3
119.04966	9.0
119.08586	29.6
121.06503	16.8
121.10158	19.2
123.04427	50.4
123.11714	6.0
125.09658	8.2
127.03913	12.8
129.06995	10.0
131.04958	11.1
131.08560	14.3
133.06500	12.1
133.10078	13.5
135.08063	11.2
135.11710	18.8
137.05992	19.6
139.03906	8.2
141.06996	7.1
145.10120	22.6
147.04419	15.1
147.08041	10.0
147.11699	16.5
149.02356	23.9
149.05928	8.1
149.09602	14.3
149.82016	5.9
151.03905	5.8
151.07549	17.2
157.10130	10.3
159.11694	10.5
161.05937	8.1
161.09633	12.6
163.07628	5.5
163.11197	22.3
165.09106	8.8
167.05614	14.3
171.11642	7.8
175.11232	10.0
177.09122	6.8
189.12740	10.5
191.10721	11.6
193.04967	18.8
193.12262	36.2
195.11693	5.9
199.11353	5.6
207.13715	7.4
211.13271	9.6
217.12169	8.9
235.13234	64.6
259.13327	12.2
267.15973	29.6
273.14871	26.7
301.14383	21.5
309.16943	29.4
332.84174	6.2
342.99399	6.3
359.02936	15.3
362.21655	6.1
375.18231	11.9
393.19485	7.0
429.12119	13.2
429.20471	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58978	1.6
53.03954	8.1
55.01859	5.5
55.05502	19.0
57.03440	17.6
59.04979	2.4
61.02912	2.6
65.03941	2.4
67.05497	19.0
69.03421	28.5
69.07066	8.9
71.04983	7.9
71.59409	2.2
71.59830	1.8
73.02912	3.8
73.04762	2.0
79.05484	18.7
81.03414	91.6
81.07049	25.7
83.04978	22.9
83.08615	20.7
85.02425	2.0
85.02903	23.4
87.04482	2.0
89.94326	1.5
91.05405	17.5
93.07044	14.4
95.04958	27.9
95.08586	11.3
97.02890	55.0
97.06522	4.8
97.10161	6.9
98.06020	2.4
99.04457	6.5
101.02377	2.4
103.03951	2.5
105.07021	15.7
107.04951	5.7
107.08576	10.1
109.02888	12.7
109.06518	6.2
109.10144	6.5
111.04449	10.4
111.08063	10.6
113.05966	1.9
115.05420	2.5
116.07073	4.9
117.06979	3.6
119.08566	17.2
120.08862	1.6
121.06498	4.9
121.10142	10.7
123.08067	5.0
123.11677	3.5
125.09604	3.5
127.03906	12.6
129.05469	5.0
129.06987	8.7
131.08534	9.6
133.06461	3.6
133.10123	9.9
135.08073	2.0
135.11743	4.2
137.06004	3.0
142.07765	3.3
143.08559	3.4
145.10132	3.0
147.08012	3.5
147.11678	14.5
149.02327	6.0
149.05914	2.3
149.09625	6.9
151.07497	2.0
157.10107	14.6
163.03862	1.6
163.11209	3.2
165.12735	3.6
167.05513	2.5
175.11182	16.2
181.12219	2.6
183.06479	1.8
189.11096	2.2
191.10643	3.7
193.04977	4.7
193.12241	67.0
194.12637	1.9
211.13271	100.0
212.13478	3.4
227.12743	3.6
229.14317	3.8
235.13095	4.0
249.14847	6.7
267.15854	4.4
277.14679	1.7
283.15637	2.4
285.16989	16.7
301.14145	2.3
355.17358	2.0
359.02765	5.3
393.19296	1.9
411.19983	5.3
429.11871	5.0
429.21185	46.5
429.30289	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	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
60.96679	0.4
67.05488	0.6
69.03429	0.7
70.06579	0.9
70.40611	0.4
71.04974	0.5
71.13571	0.8
71.13918	0.6
73.04723	0.5
79.05481	0.8
81.03399	1.5
81.07051	0.5
84.04510	0.6
85.02898	1.1
86.09711	0.8
91.05849	2.7
95.04958	1.6
96.08155	0.4
97.02889	1.3
98.09689	0.5
99.04408	0.5
105.07071	0.5
107.04940	2.2
109.02862	0.8
119.04930	0.5
121.02837	0.6
121.06496	0.7
123.04434	1.4
124.07586	1.8
126.99416	0.4
127.03879	0.6
132.61459	0.4
135.04416	1.4
136.04713	0.5
136.31792	0.4
137.05986	0.5
139.03896	1.5
140.04283	0.5
147.04391	1.5
147.09148	1.5
149.05832	0.5
152.07059	2.4
163.03838	0.5
163.08614	1.1
164.04214	0.4
167.05560	1.1
175.08655	1.4
176.41597	0.4
195.02875	2.0
203.03389	0.8
203.06949	0.5
221.04230	0.4
231.02888	1.4
235.13388	0.5
245.04277	0.4
249.03964	1.3
257.06635	0.5
266.62808	0.4
273.03616	0.8
276.05472	0.4
279.13324	0.6
291.04947	0.9
295.09637	0.5
297.07571	1.9
297.14474	1.2
298.07950	0.4
340.15158	0.7
351.08737	1.4
359.02966	1.5
399.83267	0.5
411.10104	0.6
411.19751	2.5
429.20956	100.0
430.21207	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	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24806	0.4
55.01861	0.5
59.25574	0.4
67.05509	0.7
67.65689	0.4
69.03433	0.7
69.94656	1.9
70.06596	0.6
70.24060	0.4
73.04766	0.9
75.72562	0.4
79.05489	1.1
81.03413	1.3
85.02909	1.0
86.09701	0.8
91.05797	2.7
95.04967	1.2
97.02892	1.1
98.06101	0.4
105.07006	0.5
107.04957	1.7
107.08567	0.5
109.02853	0.7
109.10233	0.4
111.04485	0.6
119.08567	0.7
121.06552	0.5
122.14850	0.5
123.04433	1.3
124.07605	1.3
133.10103	0.4
135.04425	1.4
136.06128	0.6
139.03877	0.9
145.10106	0.6
147.04410	0.9
147.09215	0.7
152.07079	2.1
155.04442	0.4
163.03920	0.9
164.07042	0.5
166.94101	0.5
167.05600	0.7
175.08730	0.8
195.02863	1.1
203.07097	0.4
230.05742	0.5
231.02829	1.1
235.13316	0.8
245.92567	0.4
249.03932	1.0
291.05048	0.7
297.07468	1.2
297.14316	0.7
351.08798	0.5
359.02948	1.2
411.19672	3.8
429.20975	100.0
430.21149	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93301	0.4
53.19587	0.4
55.38499	0.4
57.03424	0.5
59.48431	0.4
69.03409	0.7
69.94504	2.1
70.06593	0.6
73.04752	0.5
81.03436	0.6
83.04958	0.6
85.02897	1.7
91.05783	1.5
95.04955	0.6
97.02891	1.0
105.07037	1.2
107.08573	0.5
111.50185	0.5
117.95072	0.5
121.10147	0.5
123.04443	1.6
127.03925	1.5
137.72462	0.4
139.03902	1.7
147.04428	0.5
149.09624	0.9
150.10072	0.4
151.03903	1.2
161.06044	0.5
161.13078	0.6
163.03908	1.0
203.05247	2.7
232.16829	0.5
249.14659	0.7
250.18024	0.8
303.08401	0.6
359.03021	0.6
411.19720	0.6
429.20947	100.0
430.21112	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	428.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01872	7.7
56.96572	3.4
57.03429	12.6
57.03682	3.0
57.07082	19.6
59.05009	3.5
61.02924	6.4
67.05501	6.5
68.99780	5.6
69.03430	45.6
70.84929	9.8
71.04984	7.5
73.02917	7.9
81.03419	37.2
82.16388	3.2
84.08157	4.8
85.02908	95.6
85.06538	17.7
86.09710	4.7
87.00838	46.7
88.72784	3.0
91.05472	6.1
95.04961	10.0
96.64039	3.2
97.02892	32.7
99.04458	19.1
101.06002	4.6
103.06889	5.6
103.07580	100.0
105.01863	46.1
105.03374	4.0
109.02885	40.1
113.06001	3.5
119.04943	9.2
120.08114	25.2
123.04425	9.3
127.03916	84.2
127.04806	5.4
127.07563	15.7
129.01813	3.4
131.06961	4.8
135.04439	8.3
136.07570	5.7
139.03874	8.8
141.11684	3.1
145.04941	26.2
145.08566	5.2
151.03882	3.3
159.02910	14.6
161.05968	3.3
162.09149	12.5
163.03900	5.9
163.09648	36.0
164.04269	7.0
173.08096	10.1
180.06631	3.6
180.08820	5.8
180.10217	40.0
182.08157	7.3
217.69304	3.3
229.10667	3.9
231.04926	16.9
248.06279	5.2
253.10715	4.8
260.06387	5.4
266.17529	3.4
288.05966	3.2
357.11652	3.9
375.12909	6.3
424.53851	3.4
428.19785	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	429.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.8
68.61608	0.7
69.03424	0.9
69.81514	0.6
71.19978	0.8
71.20319	1.4
73.04749	2.4
81.03426	0.7
84.04508	4.8
85.02901	1.9
91.05315	0.7
91.05814	13.4
93.07025	1.7
95.05019	0.7
96.44720	0.7
97.02882	0.7
107.04997	0.9
111.04473	0.8
116.98657	1.1
121.06510	36.7
123.04408	0.9
124.72666	0.8
130.05017	3.2
134.99692	0.7
138.09131	5.2
139.03894	0.7
146.06081	1.1
149.04453	0.9
161.30608	0.6
163.03876	1.6
167.05606	5.1
177.05498	0.9
195.01120	2.1
202.04935	1.0
221.12836	1.6
225.04224	0.8
249.12633	0.7
250.10660	4.3
267.13412	13.1
287.22348	0.6
293.75955	0.6
309.01291	1.2
342.99750	1.3
359.02859	7.5
385.13889	1.1
411.12659	6.3
412.16000	1.4
429.13693	100.0
430.14096	3.5
442.37955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3935
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05510	9.0
57.07078	5.7
67.05504	29.1
68.65186	3.0
69.07071	18.8
79.05511	6.8
81.07065	60.6
83.08617	6.4
91.05476	4.5
93.07056	15.3
95.08607	100.0
97.10175	4.2
97.33343	2.8
105.07050	8.0
107.08592	23.0
107.72773	2.7
109.10159	48.5
119.08566	10.2
121.10151	24.2
123.11699	25.5
133.10107	8.4
135.11710	16.2
137.13258	42.6
145.48703	2.9
147.11674	10.3
149.13254	12.8
151.07536	3.3
151.14796	4.8
161.13268	7.9
163.14818	11.6
165.16391	2.8
175.14821	5.6
177.16412	10.4
179.14305	6.7
189.16379	12.7
191.17949	8.2
203.17975	7.7
205.19481	6.0
217.19574	4.6
219.21129	4.9
229.19424	4.4
231.21124	4.8
259.24191	4.9
275.08768	3.6
310.50266	2.8
342.47568	3.1
409.38306	13.6
427.30002	6.7
427.39136	19.7
429.82047	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	427.1963
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
50.60305	24.2
52.96668	22.5
55.05510	33.9
67.05511	44.1
67.65762	26.1
69.03423	69.4
69.07057	28.9
71.59393	46.7
71.71650	28.9
72.08134	24.3
79.05481	61.4
80.31145	30.1
81.03425	49.7
81.07069	68.3
85.02922	74.0
86.09704	37.4
91.05496	74.4
93.07057	73.6
95.04978	30.7
97.02925	32.7
103.42785	27.2
105.07050	80.0
107.05000	62.6
107.08588	35.2
109.02898	55.0
109.10144	43.6
116.07175	26.2
119.04973	28.9
119.08610	58.1
121.06545	24.4
121.10181	31.9
123.04422	53.4
127.03906	40.5
129.06924	32.7
131.04913	38.9
131.08571	24.9
133.10176	30.8
135.08054	35.0
137.05965	30.6
139.03900	33.8
145.06532	28.9
149.09676	29.5
153.49986	28.8
161.05957	24.7
163.07584	42.3
167.07010	41.8
173.13303	43.7
187.11356	37.3
192.73071	29.7
201.12720	43.6
213.09152	55.1
224.55740	31.7
247.13341	100.0
298.72470	26.6
339.12268	30.7
384.15643	99.4
409.16595	44.5
427.19025	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56696	0.2
54.66166	0.3
55.01865	0.4
57.04565	0.5
67.05491	0.3
68.99787	0.8
70.06583	0.4
70.84344	0.8
85.02900	0.5
91.05464	0.3
94.04074	1.4
99.23772	0.3
111.00895	0.3
111.04480	0.5
119.03561	0.4
119.04906	0.3
123.04430	4.1
123.06672	0.9
127.12152	0.3
133.02837	0.4
133.05095	0.3
135.04424	1.1
139.03909	6.0
147.04437	0.5
150.07756	100.0
150.98349	0.3
151.03891	0.6
151.08109	1.0
163.03906	2.0
165.05482	0.3
167.03397	1.1
167.43761	0.3
175.03912	0.5
177.05501	0.4
179.03407	2.2
189.05547	0.4
191.03441	1.7
193.04997	0.3
201.05438	0.8
203.03421	1.2
203.12904	0.3
229.04968	1.0
233.04489	0.6
245.04486	0.9
247.06085	1.2
251.05516	0.5
255.06604	0.3
257.04529	1.3
259.05914	0.6
269.04239	0.3
275.05542	2.2
282.12039	0.7
283.06012	1.0
287.05496	3.5
295.11523	17.9
296.11737	0.3
301.06949	0.4
367.08087	0.4
387.28683	0.3
409.09290	2.0
427.09692	0.4
427.19565	0.8
428.14288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.102
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.02383	0.8
53.03937	1.0
55.01871	4.8
55.05508	0.7
59.29119	0.4
65.03934	1.7
67.01862	0.8
67.05497	1.8
68.99786	9.1
69.03427	1.1
70.06579	0.5
71.21852	0.5
71.22186	1.0
72.08131	0.6
77.03929	1.1
78.22905	0.4
79.05475	1.6
79.08572	0.5
81.03416	0.9
81.07045	0.5
83.01331	0.7
83.04986	1.3
84.72281	0.5
85.02888	1.3
89.03905	0.7
91.05486	1.8
91.35709	0.5
93.03390	1.5
95.04958	3.3
97.02895	0.5
98.94299	0.5
103.05489	0.7
105.03391	2.0
105.06995	0.8
107.04955	2.9
109.02896	1.1
111.00768	4.5
111.01303	0.4
111.04437	4.4
115.05445	1.1
117.03391	1.1
117.07027	0.8
119.04952	2.6
121.02863	4.1
121.06489	0.5
123.04425	59.9
124.04735	0.6
127.03902	4.4
131.04942	1.9
133.06526	0.9
134.06064	0.6
135.03389	1.0
135.04417	15.8
137.02333	2.0
137.05936	2.6
139.03900	100.0
140.04276	1.0
145.02831	1.2
145.06482	1.5
147.04404	6.8
149.02327	3.0
149.05995	2.4
150.07736	7.3
151.03899	8.7
153.01866	1.2
153.06990	1.5
155.04880	1.0
157.06459	1.1
159.04443	2.0
159.07930	0.5
161.02385	1.1
161.05962	2.7
162.05583	0.9
163.03902	24.9
163.12305	0.5
164.07057	0.5
165.01878	0.9
165.05486	5.9
167.03404	17.5
167.04726	0.6
169.06517	1.3
171.04474	1.1
173.05995	2.8
175.03900	8.0
177.05460	6.7
179.03380	12.8
179.04901	0.8
181.04996	1.2
181.06502	2.4
185.05983	2.0
187.03870	4.0
189.05473	6.3
191.03389	35.1
192.03751	0.7
193.04967	10.2
195.04506	0.6
197.06004	1.2
199.03777	0.7
199.07591	0.9
201.05470	11.1
203.03391	23.4
203.12740	0.7
205.04962	6.1
209.05977	0.8
213.05472	5.0
215.03467	3.1
215.07042	1.0
217.04982	4.3
219.06575	0.9
221.04591	0.5
223.02597	0.6
225.05452	0.6
227.03462	0.8
227.07077	1.1
229.04956	18.0
230.05569	1.3
231.06546	2.0
233.04430	16.0
235.02379	0.5
237.05478	1.7
241.04985	3.1
243.06438	0.7
245.04431	10.9
247.06035	19.2
247.14442	1.4
251.05482	8.7
255.06500	5.0
257.04440	29.2
258.05154	2.8
259.05984	10.0
265.15244	1.4
269.04489	3.9
271.06046	4.7
273.07663	1.0
275.05496	45.9
276.05746	0.8
283.05997	15.7
284.06015	0.7
287.05496	63.3
288.05759	1.7
295.11520	1.6
299.05545	4.6
301.07074	10.3
302.07117	0.6
325.07120	0.8
367.07880	0.7
379.08020	0.6
385.09253	0.5
391.07849	0.9
409.09152	26.7
410.09372	0.7
427.10025	2.5
427.20029	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	426.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73716	0.7
53.03941	1.7
53.48445	0.7
55.01630	1.1
55.01871	15.0
55.05274	1.1
55.05510	15.8
56.05032	5.4
56.05825	0.8
56.70579	0.8
56.71544	0.7
57.03432	1.3
57.07057	0.7
65.03932	1.0
67.05501	22.5
69.03410	3.4
69.07055	6.9
70.02589	1.0
70.02950	19.8
70.06590	21.1
71.04989	6.3
71.58778	1.5
74.02438	9.4
79.05486	10.4
81.03416	1.8
81.07060	11.8
83.04979	2.3
83.08610	2.0
88.04002	6.7
91.05476	9.4
93.07039	11.6
95.04957	5.4
95.08054	1.3
95.08602	13.9
97.02879	0.8
97.06504	1.7
97.10164	5.1
98.06049	51.8
99.04447	3.0
99.08136	0.9
105.07035	8.1
107.04940	2.8
107.08586	6.0
109.06522	1.6
109.10148	11.5
111.54907	0.7
116.03414	1.7
116.07086	100.0
117.07015	3.8
119.08570	10.0
121.06522	1.1
121.10132	7.2
123.08073	1.6
123.11722	1.0
125.09617	3.6
129.06961	1.1
131.08557	3.6
133.10112	5.6
134.04507	5.1
134.08113	3.6
135.08035	2.6
135.11630	1.3
135.41956	0.8
137.09625	5.1
139.11177	3.6
145.10100	3.5
147.08052	1.4
147.11679	2.7
149.09612	2.3
149.13301	1.1
159.11697	3.2
161.13181	1.0
163.11281	1.2
165.09126	0.9
165.30081	0.8
169.10092	0.9
173.11766	1.9
173.13177	1.7
177.12738	1.2
189.11162	4.1
197.13260	0.9
203.12817	4.3
203.14479	0.9
207.13741	1.0
239.17847	1.3
247.20438	1.3
257.18924	2.3
264.54730	0.8
275.20041	13.8
281.84479	0.9
293.21085	6.4
308.02203	0.8
408.27228	1.9
426.28323	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25666	2.2
53.41337	2.2
55.05523	5.1
55.37337	2.4
56.10949	2.1
57.03439	6.8
59.04999	3.6
67.05505	67.9
69.03429	2.9
69.68477	1.9
71.04998	3.3
71.59425	4.2
72.08171	3.5
81.07066	8.6
83.08607	6.5
85.02909	8.4
85.06546	2.7
86.09745	2.2
91.05492	4.9
93.07039	3.0
95.04971	3.5
95.08598	5.9
97.02888	3.5
105.07008	2.1
107.04951	21.0
107.08596	4.9
108.05287	7.2
109.02914	2.9
109.10160	66.7
111.08093	3.4
112.39051	2.0
119.08603	3.7
121.02960	2.3
121.10077	2.3
123.04432	3.6
124.07621	6.0
127.03938	2.9
127.11170	2.6
136.07591	4.2
147.04420	2.4
149.26500	2.0
151.75859	2.2
155.10683	8.5
161.10756	4.2
162.11519	4.2
166.07208	3.1
167.21562	2.0
173.11725	30.0
175.03947	2.8
229.14351	100.0
230.14662	2.9
265.10385	3.9
408.11609	3.3
427.19791	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	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14412	3.5
55.05504	6.3
67.05506	31.9
69.07056	14.1
69.48982	4.6
69.49313	28.5
79.05472	7.8
81.07056	28.5
83.08621	7.0
91.05486	5.8
93.07035	16.4
95.08604	26.8
105.07039	18.1
107.08601	21.3
109.10157	100.0
119.08591	23.5
121.10145	13.5
123.11709	11.1
127.11315	3.1
131.08508	3.3
133.10124	10.9
135.11685	19.1
137.13174	3.8
145.10112	3.7
147.11668	12.9
149.13255	11.0
157.84572	3.2
159.11684	6.2
161.13252	12.9
163.14725	5.6
173.13222	4.9
175.14807	6.3
187.14894	5.5
189.16399	5.0
191.17865	8.2
203.17982	9.2
215.17950	5.1
217.19492	9.0
337.80585	3.4
388.62036	3.1
425.28806	12.4
425.37833	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	425.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
54.15045	1.1
55.01868	11.6
55.05261	1.7
55.05511	19.0
55.06178	1.4
57.03423	2.9
57.07078	7.4
65.03928	3.6
65.65062	1.3
67.05505	89.3
69.03430	19.9
69.07066	26.6
71.01358	2.2
71.04973	5.8
71.08615	3.9
73.02885	2.6
74.48152	1.2
76.65362	1.1
79.05489	30.2
81.03416	18.9
81.07056	100.0
82.24673	1.2
83.04982	3.9
83.08617	14.8
85.02917	6.2
85.06535	3.7
85.10186	2.0
91.05474	24.8
93.07040	31.9
95.04962	5.1
95.08601	69.2
96.08914	2.2
97.02890	66.8
97.06533	3.0
97.10144	7.2
98.72756	1.6
99.04453	33.8
99.08089	3.6
101.02396	1.7
105.07028	14.3
107.04943	1.3
107.08593	18.8
109.02881	14.9
109.06530	1.6
109.10158	25.4
110.10478	1.8
111.04432	2.1
111.08067	2.8
111.11719	2.7
111.61307	1.5
113.09637	2.5
117.07011	3.7
119.08582	13.7
121.06509	2.7
121.10159	18.3
123.11707	16.4
127.03917	41.0
127.11150	1.8
129.07025	2.6
131.08574	5.1
133.06502	2.3
133.10124	13.9
135.11673	11.8
137.09631	1.6
137.13278	7.0
145.04959	5.1
145.10121	3.6
147.11707	8.9
149.13269	8.5
151.14789	3.6
159.11719	2.0
161.13252	7.9
163.14812	5.9
165.09161	3.3
165.16364	2.1
173.13231	2.4
175.14838	8.1
183.10080	2.2
187.14867	1.7
189.16394	3.3
193.15999	1.6
201.16360	2.0
203.17992	2.0
243.21198	1.6
245.22624	10.7
261.22180	6.7
263.23694	39.0
275.23734	1.4
331.26440	6.8
341.24561	4.6
359.25763	8.6
412.08923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
55.01869	6.4
55.05512	32.4
57.03434	9.5
57.07068	9.8
64.07548	2.1
65.03937	3.2
66.79030	2.2
67.05505	100.0
67.06741	2.0
69.03429	33.5
69.07070	36.2
70.86156	2.2
70.86500	5.4
71.01348	4.4
71.05006	10.4
71.08627	5.8
73.02927	5.6
75.14091	2.0
79.05488	43.9
81.03416	51.5
81.03861	4.2
81.07055	99.7
81.07527	5.2
82.07397	3.5
83.04984	13.3
83.08625	21.4
85.02905	13.2
85.06555	4.9
85.10176	2.7
91.05471	39.5
93.07042	51.3
95.04959	19.0
95.08606	80.4
97.02346	2.2
97.02900	12.4
97.06538	5.9
97.10171	13.5
99.04466	7.6
99.08096	6.2
103.05453	3.4
105.07031	36.7
105.19637	2.2
107.04942	5.2
107.08595	30.7
109.02849	6.5
109.06506	6.1
109.10158	31.7
111.04437	11.4
111.08062	6.7
117.06992	15.5
119.08583	28.0
121.06501	9.9
121.10117	23.1
123.04415	5.2
123.08086	5.2
123.11693	15.1
125.09614	3.8
127.03945	5.6
129.05469	6.4
129.06999	9.5
131.08543	24.2
133.06520	5.2
133.10117	14.9
135.08105	3.3
135.11691	17.6
137.09601	3.0
137.13266	3.9
141.06985	2.9
143.08543	7.6
145.06512	4.5
145.10104	15.1
147.08043	4.5
147.11682	14.0
149.13266	12.9
151.14990	2.4
157.10139	9.3
159.08086	3.7
159.11700	8.7
161.13286	12.0
163.11206	4.7
163.14821	9.5
165.12819	3.2
169.10088	3.8
171.11713	3.5
173.13304	9.7
175.14848	9.8
177.12666	3.9
177.16458	4.3
179.14352	3.3
185.09647	3.1
187.14810	5.9
189.12756	2.9
189.16434	5.6
193.12234	2.5
199.14871	2.8
201.16364	4.9
203.14331	4.2
213.16261	2.9
215.17860	2.7
221.15401	2.7
243.21078	5.3
245.22687	6.3
261.22147	7.6
263.23697	9.5
273.21902	2.5
275.23727	6.4
279.23282	6.0
289.18082	2.3
291.23279	10.5
293.24619	5.5
303.23279	5.1
305.24847	6.7
315.23135	2.4
317.24734	5.4
321.24200	4.7
333.24255	3.5
343.26410	4.8
347.25867	5.8
353.24765	10.0
371.25888	22.2
389.26895	20.5
405.89801	2.3
407.28009	14.2
425.16528	2.4
443.15817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.232
Annotation	Walsurin
Peak:m/z	Relative Intensity
53.03935	1.1
55.01863	2.0
55.05496	3.6
57.07063	2.6
65.03941	1.0
67.05503	13.4
68.04553	0.8
68.05843	1.1
68.99799	8.3
69.03415	2.5
69.07063	15.2
71.05006	1.0
71.32569	1.5
79.05486	10.0
81.07056	62.2
82.07425	1.1
83.04996	1.4
83.08616	1.5
91.05469	4.9
93.07040	6.3
95.01311	1.4
95.04959	2.3
95.08611	25.9
103.05496	1.1
105.07023	6.2
107.04956	27.1
107.08584	4.4
109.06512	1.4
109.10165	6.9
110.10460	1.4
111.04461	1.4
115.05456	2.8
117.07001	5.1
119.04984	1.3
119.08570	2.6
119.38261	1.0
121.06514	1.3
121.10119	3.7
123.04425	19.9
123.11694	3.5
129.06975	0.9
131.04985	1.3
131.08569	2.1
133.06503	9.2
133.10155	1.9
135.03391	2.0
135.04416	34.3
135.08063	14.4
135.11684	2.4
136.05183	2.6
137.05974	7.9
137.13284	9.3
145.06374	1.3
145.10107	1.3
147.04387	4.2
147.08113	1.1
149.06032	4.6
149.09613	1.0
157.06456	1.3
157.10097	1.2
159.08057	1.3
159.11703	1.1
160.05432	1.0
160.41214	0.9
161.05984	47.5
162.06787	6.0
163.04001	1.2
173.05939	3.8
173.11795	1.1
173.13217	1.0
177.09067	2.3
179.08574	2.3
187.03906	21.3
187.07498	3.3
189.05490	1.9
197.05936	1.2
197.09630	2.2
201.09059	1.4
203.07004	7.2
207.08044	1.7
210.06766	1.2
215.10629	1.3
225.09047	4.4
229.08595	1.7
235.07755	1.4
243.10335	1.5
253.08530	9.7
255.10196	1.8
267.09933	1.4
271.09647	100.0
272.09940	2.7
283.09607	5.3
289.10678	15.1
290.11237	1.1
299.12787	1.4
301.10721	2.8
325.14297	1.4
335.16644	1.0
351.15430	1.0
369.17194	1.0
389.20859	2.4
407.22144	10.6
425.23178	12.9
425.27908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
56.92252	0.6
56.96563	1.0
67.05505	4.3
68.99797	2.1
69.03413	1.1
69.07070	13.5
69.85692	4.7
81.07048	3.2
81.79453	0.7
83.04951	1.1
83.08629	1.2
91.05482	2.8
93.07047	1.0
95.04951	1.2
95.08604	2.1
102.83253	0.7
105.07037	1.5
107.08611	1.4
108.74731	0.7
109.10155	2.5
111.00809	1.8
111.04473	1.7
115.05440	1.5
117.07010	1.1
123.04436	1.3
127.03961	1.1
128.06207	0.9
129.06978	0.8
133.06493	1.0
135.08093	1.0
135.91275	0.7
139.03897	29.3
140.04239	1.0
145.06557	0.8
147.08057	5.6
151.03914	1.6
151.07558	4.5
153.05589	1.2
153.06918	0.8
157.06528	0.9
158.07269	1.2
159.08034	1.8
161.06026	2.7
161.09605	1.2
163.03929	1.0
163.07584	1.8
165.09204	1.4
167.07053	2.8
171.08075	2.6
172.08847	1.0
173.05995	1.1
174.06813	2.1
175.07549	5.7
176.08307	2.1
177.09116	34.5
179.06990	0.9
185.09706	1.5
186.10333	1.1
188.08334	4.5
189.09103	11.1
190.09802	0.8
191.10619	1.4
197.09596	1.5
198.10474	1.3
199.07530	1.2
199.11270	1.1
201.09064	7.2
202.09860	3.7
202.87151	0.8
203.10654	2.3
211.11127	1.0
213.09184	2.9
213.12764	2.4
215.10669	2.5
216.11459	2.4
217.08679	2.0
217.12209	4.6
219.13713	3.8
220.09004	0.8
228.11374	1.1
229.08670	4.4
229.12238	1.7
231.13794	19.3
239.07159	1.0
241.08647	1.5
243.13811	12.9
245.15364	1.1
251.07037	0.8
253.05022	0.8
253.08661	1.0
257.15341	3.0
268.07559	1.1
269.08139	2.2
271.09717	1.5
273.18506	2.0
281.08154	1.2
283.09717	2.9
285.07629	0.8
285.14725	0.9
287.20242	1.4
295.09689	1.2
298.08289	0.8
299.20090	4.5
300.10028	1.2
301.10660	4.9
311.09158	2.5
313.10690	25.0
314.10971	0.8
337.14288	0.9
351.16058	1.4
355.15390	1.1
356.16199	1.2
357.16895	6.8
369.16968	100.0
370.17352	4.6
425.23056	3.2
445.54175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1418
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
61.74687	0.4
62.17248	0.4
68.99790	0.6
69.03411	0.7
70.06586	1.0
70.69762	0.4
70.90723	1.0
71.04990	0.4
76.18617	0.4
79.05489	0.5
81.03410	0.4
85.02963	0.5
85.06527	0.4
91.05469	1.6
95.04950	0.5
117.03407	0.4
123.04442	0.9
127.04017	0.4
135.04401	0.7
139.03914	0.6
145.02858	0.5
147.04398	0.7
161.46921	0.3
163.03902	0.7
177.05498	1.3
179.03363	0.5
245.04500	3.8
257.04434	0.5
263.05621	0.4
264.08694	0.6
287.05426	0.7
293.10089	0.4
336.27335	0.4
407.07413	1.4
425.14169	100.0
426.14526	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75129	0.5
50.87187	0.6
53.52927	0.5
53.93341	0.5
69.40903	0.7
69.41314	4.1
77.23814	0.5
81.03403	0.7
82.99889	1.7
97.02853	0.9
101.00877	7.4
109.02872	1.0
113.00840	1.6
119.01920	22.6
127.02375	1.0
131.01891	8.2
137.02933	3.8
139.02368	0.8
143.01900	18.6
143.03040	1.1
145.03462	9.4
147.01375	1.1
149.02913	1.9
155.01906	8.5
157.03439	5.2
161.02959	49.3
162.03001	0.7
163.04526	1.4
167.01918	4.3
169.03436	1.7
171.05058	2.5
173.02969	19.3
175.04462	1.4
179.01904	2.5
179.03996	1.4
182.05650	0.7
184.04616	1.3
185.02960	30.6
187.04523	3.8
187.91002	0.6
191.04027	5.5
196.04634	1.1
197.02956	12.4
203.04004	17.3
208.04468	0.8
209.02931	1.0
215.03996	6.2
221.03119	0.6
221.05046	2.1
227.04012	7.3
228.04195	0.5
233.05130	0.9
239.04126	0.6
245.05070	100.0
246.05278	3.8
257.05051	5.5
263.06122	27.5
264.06323	0.6
275.06100	13.5
276.06165	0.9
286.07809	1.1
293.07162	5.2
305.07144	7.1
335.08127	1.8
365.09137	2.9
425.06110	1.3
425.11554	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93028	3.7
52.06343	3.4
56.96551	4.8
71.10707	8.2
91.59896	3.3
98.97575	5.3
100.46454	4.1
101.00901	8.8
119.01925	37.0
122.07144	5.2
124.60039	4.3
131.01907	12.1
137.02986	6.4
143.01878	22.7
145.03455	12.3
155.01834	10.2
157.03453	7.6
161.02965	54.7
167.01930	8.6
173.03020	22.7
185.02988	33.4
187.04518	4.9
191.03908	5.3
197.02953	15.1
203.03976	17.6
215.04031	12.6
221.04974	4.6
227.04022	7.2
245.05086	100.0
257.05090	6.8
263.06097	22.2
275.06113	10.4
293.07330	4.4
305.07190	7.3
311.35681	3.9
365.09280	4.8
389.05539	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10519	0.9
56.96571	6.1
62.98306	0.9
69.06979	0.9
69.96520	3.4
71.95268	1.2
74.93153	2.5
98.21528	1.3
98.97568	8.6
116.98624	16.5
117.79795	1.0
119.01910	5.4
134.99655	22.0
137.02957	4.3
153.00691	5.3
158.01276	1.7
172.95236	1.6
177.00972	15.4
178.01054	3.8
179.00703	2.4
190.96260	1.9
192.98793	2.2
208.88455	2.4
210.99786	1.3
212.98340	2.6
216.98776	2.1
219.02005	16.7
220.02156	3.0
221.01752	2.7
225.00777	1.1
226.89514	4.5
230.94963	1.4
234.99945	17.7
236.00111	3.5
236.99809	1.6
240.98924	3.0
243.02029	2.6
248.96019	1.8
250.97678	1.1
253.01076	5.9
256.96509	1.8
258.99948	32.0
259.88504	1.0
259.99991	9.4
260.99832	4.0
261.03058	37.2
262.03152	8.9
263.02887	7.9
264.98846	2.6
266.92700	2.2
274.97726	3.4
275.97992	1.3
276.97925	1.8
277.01007	50.5
278.01123	16.1
279.00790	7.6
282.99976	44.9
284.00027	5.9
284.04825	1.5
284.99844	3.1
288.99246	1.3
291.99643	2.0
292.95239	1.1
292.98465	1.9
300.02698	3.4
301.01031	100.0
302.01166	17.3
303.00879	7.8
304.01086	2.5
316.98959	3.0
317.98999	2.1
318.98825	1.7
319.02139	7.9
320.02313	1.8
324.02631	4.4
325.02753	1.2
340.02151	1.5
354.93854	2.0
357.96945	9.6
358.96494	4.3
364.09229	1.2
372.94672	1.5
374.94400	1.7
378.89749	1.2
389.44080	1.5
396.91159	3.3
396.95428	1.5
398.98267	1.6
400.97104	2.5
401.01254	3.1
403.01123	2.0
407.00177	4.3
413.92850	1.4
419.92719	4.0
420.42981	3.6
421.94495	3.0
422.44797	3.5
425.01135	20.4
426.01300	2.9
430.95029	1.8
431.94495	1.7
437.92758	1.8
440.93433	6.0
441.43909	3.0
443.02301	78.3
444.02475	10.7
445.02328	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3057
Annotation	Asmarine I
Peak:m/z	Relative Intensity
55.01862	1.2
55.05520	2.4
56.05028	1.3
56.96568	0.8
57.07081	0.6
59.29883	0.4
67.05508	3.9
69.07072	4.8
70.06593	0.9
71.04999	12.1
71.59834	0.7
79.05493	4.1
79.54899	0.5
81.03415	1.0
81.07063	7.1
82.06577	2.0
83.04972	0.4
83.08614	1.2
84.08147	0.6
85.02920	0.7
86.41573	0.5
91.05492	2.8
93.07050	4.7
95.04932	0.7
95.08610	5.0
96.08151	0.6
98.06054	2.7
98.09685	0.6
99.04456	4.0
105.07034	3.9
107.04966	0.9
107.08598	6.7
108.08094	0.6
109.06493	1.0
109.10159	2.2
110.06078	0.7
110.10522	0.5
116.07093	1.1
117.07008	0.6
119.08580	5.2
121.10133	2.9
122.09647	0.7
123.04404	0.8
123.11695	0.4
124.07588	0.4
128.07101	2.3
131.08582	1.3
132.52898	0.5
133.10132	3.7
135.08072	0.8
135.11691	2.6
137.09692	0.4
145.10130	0.9
146.08080	0.6
147.11682	2.6
149.13266	2.8
159.11728	0.5
161.13266	5.4
162.12784	6.9
163.14857	1.5
164.14325	2.3
165.05470	0.5
175.14789	2.3
177.16447	0.7
178.15919	2.0
180.17419	1.0
199.07594	0.5
205.19566	1.0
217.19470	2.1
252.15877	0.7
260.16385	0.4
271.06006	0.6
272.06412	1.3
276.19846	0.6
276.23251	0.9
278.17511	5.4
280.19116	1.7
285.10345	0.5
294.20572	3.3
308.25916	3.7
309.11255	0.5
310.07858	0.5
352.12570	0.6
354.22989	0.5
365.12726	0.6
368.11716	0.5
374.26971	0.9
406.29602	3.5
424.30597	100.0
425.25497	1.1
425.30832	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	424.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78158	4.1
56.96564	7.3
61.21389	3.5
67.05473	3.9
68.61060	3.3
69.03407	8.4
69.07056	6.6
70.06573	4.3
71.16206	4.1
71.16545	6.4
77.49065	3.4
79.60831	3.7
81.03403	5.8
84.08169	3.8
85.02901	15.8
91.05494	8.2
95.04946	4.0
97.02898	9.0
98.97570	5.5
101.04236	15.5
102.04591	5.2
103.05457	4.3
116.98596	6.9
119.25529	3.7
121.06522	7.9
123.04429	6.7
124.05164	4.8
131.04947	6.1
135.04361	4.5
137.01231	4.0
137.05956	8.0
139.03928	5.0
145.02917	4.2
147.04414	6.1
149.05940	9.0
159.04475	4.9
163.03874	9.5
167.07042	100.0
172.04292	21.6
173.04599	14.4
177.05478	29.3
185.09204	3.4
186.55702	3.7
209.08092	31.2
227.09140	47.5
237.02777	3.9
244.06316	6.5
260.04370	3.6
287.04227	6.1
305.99615	3.6
365.42642	3.7
378.13928	4.8
407.07413	6.0
424.14645	11.3
425.14362	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	424.106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.5
65.03939	1.7
67.05502	4.7
67.57793	1.5
68.98510	1.3
68.99789	3.9
69.03428	2.2
70.85503	4.6
72.08134	1.3
74.00667	2.3
79.05490	7.1
81.03403	2.0
81.07063	2.1
81.74258	1.5
85.02884	2.0
86.09670	1.7
88.03986	1.6
91.05482	2.1
93.07062	1.5
95.04968	19.4
97.02899	2.7
107.04954	19.0
107.08585	1.4
109.02881	2.0
111.00745	2.4
111.02618	2.0
111.04449	4.1
121.02837	2.0
123.02655	13.2
123.04424	17.0
133.02910	7.0
135.02693	1.7
135.04428	15.1
136.05186	4.4
136.07597	1.8
136.70341	1.4
137.05989	3.5
139.02153	4.2
139.03899	100.0
140.04239	2.6
141.00102	2.4
147.04414	5.4
148.41771	1.7
149.00549	3.9
150.03809	1.6
151.02127	42.6
151.03894	18.8
161.01628	2.2
163.02147	6.3
163.03906	28.1
164.04617	1.8
165.05472	3.3
166.06235	3.8
167.00244	1.1
167.01608	28.6
168.99515	1.8
169.03191	23.5
175.02203	2.6
175.03879	3.3
177.05464	3.0
178.03197	4.6
179.01611	12.9
181.22377	1.5
187.02208	1.7
189.03674	7.1
189.05312	2.3
191.01620	10.2
193.03174	12.0
195.04756	2.7
197.02679	64.3
201.05560	2.0
203.01572	3.9
203.03392	3.5
204.02328	1.8
205.03133	2.0
206.00362	1.5
207.01154	8.5
209.02676	3.2
215.01613	2.8
216.02428	3.9
217.03212	2.9
218.00294	5.6
219.01131	1.8
219.04668	2.6
221.02679	2.6
223.04172	4.7
224.03841	5.6
231.04602	2.0
232.01935	2.4
233.02626	14.0
234.03416	3.1
240.15991	1.5
240.18504	1.6
245.04457	3.2
247.04248	6.8
249.05769	6.1
259.05933	1.9
269.04758	50.2
270.05231	3.0
274.08350	3.1
275.03720	3.2
279.09982	1.9
284.06726	10.0
285.02008	1.8
286.07431	96.8
287.05481	5.2
289.05411	2.0
291.03253	1.6
299.03485	2.1
302.07742	10.2
316.11954	1.6
317.04767	31.5
318.05020	1.8
335.05728	5.9
343.06253	12.4
361.07379	5.8
371.05740	3.4
389.06906	4.8
406.09619	1.8
407.07703	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01872	2.2
55.05500	6.6
57.03423	2.7
57.07072	6.6
60.21883	0.8
60.87165	0.7
61.73181	0.8
67.05507	9.8
67.92115	0.7
68.31083	0.7
69.03431	0.9
69.07075	8.7
70.79467	1.9
70.79792	0.9
71.04987	1.6
71.08624	5.0
76.27078	0.7
79.05496	6.8
81.07059	15.2
83.04996	1.4
83.08612	3.4
85.06538	3.3
91.05467	4.6
91.17067	0.8
93.07043	7.9
95.04963	2.2
95.08610	12.3
97.06540	1.8
97.10146	1.5
99.08096	2.0
105.07019	5.7
107.08604	8.9
109.06516	22.3
109.10146	6.9
111.08110	1.7
113.00026	0.9
117.07017	0.9
119.08571	6.4
121.10117	5.7
122.07306	2.7
123.08065	37.9
123.11734	2.3
131.08568	2.6
133.10124	3.5
135.08055	8.2
135.11659	2.5
136.08833	1.4
136.95532	0.8
137.09589	1.7
145.10112	2.8
147.11716	3.5
149.09628	2.1
149.13272	2.2
151.14870	0.9
155.68396	0.9
157.10077	0.8
159.11685	2.6
161.13264	2.2
165.12743	1.7
167.14314	1.7
173.13321	2.0
175.14807	1.2
177.12700	2.1
177.16379	0.9
179.14307	100.0
180.14658	3.2
189.16246	1.0
193.15877	3.3
201.16489	1.0
205.15901	3.8
219.17322	0.9
233.19060	1.7
275.20056	2.2
289.25226	1.6
293.21146	1.7
303.26837	2.4
305.03842	0.9
313.25146	1.0
331.26315	44.8
332.26846	1.4
349.27313	10.2
367.24991	0.8
405.29987	2.2
423.31052	99.3
424.31351	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01844	2.2
55.05512	7.8
57.03403	2.7
57.07079	6.7
59.04979	1.0
65.03925	1.2
67.05505	27.3
69.03416	2.1
69.07069	9.0
69.31746	7.3
71.04977	1.8
71.08620	5.0
73.89107	0.7
79.05067	1.0
79.05487	12.4
81.03400	1.5
81.07060	25.2
83.04961	2.5
83.08630	5.0
85.02888	0.9
85.06527	3.5
91.05491	8.1
93.07037	14.1
95.04932	2.4
95.08606	16.3
97.02867	1.6
97.06503	3.3
99.04427	1.2
99.08049	2.1
105.06396	0.8
105.07039	9.7
107.08600	11.3
109.05811	1.2
109.06522	21.8
109.10158	19.1
109.10910	1.0
111.08063	2.3
117.06978	2.2
119.08588	8.2
121.10141	7.5
122.07277	3.4
123.08071	34.1
123.11677	3.1
124.08431	0.8
127.03936	1.5
128.06165	0.8
131.08586	4.9
133.10100	6.7
135.08057	8.8
135.11693	4.9
136.08867	0.9
137.09579	2.5
145.10130	3.5
147.11713	5.1
149.09615	2.1
149.13263	5.2
155.10643	0.7
157.10129	2.2
159.11716	5.0
161.09576	1.1
161.13232	3.1
165.12709	2.2
167.14317	2.0
169.10091	1.1
171.11656	2.0
173.11737	3.9
173.13252	2.2
175.14815	0.7
177.12721	2.9
177.16411	0.8
179.14310	100.0
180.14636	2.2
185.13390	1.0
186.30560	0.7
187.14845	1.1
189.16293	1.1
191.14278	1.3
191.17964	1.1
193.15862	3.2
195.13965	0.7
199.14684	1.3
201.16267	1.3
203.17972	1.0
205.15926	5.0
215.17860	0.9
231.16975	0.7
241.19635	1.0
247.20770	0.8
255.20836	1.0
257.18848	0.7
271.06021	2.3
275.20108	2.5
278.52798	0.7
289.25333	1.2
303.26849	2.7
331.26318	50.1
332.26785	2.2
349.27362	3.0
367.24957	1.1
405.30380	1.0
405.35333	1.6
423.31180	94.8
423.35782	5.2
424.31705	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03399	0.9
53.03943	1.5
55.01866	1.6
55.05512	7.3
57.03449	1.7
57.07063	2.3
64.23959	0.8
67.05505	12.5
69.07064	10.4
70.65733	2.1
71.04986	1.1
71.08629	1.8
71.11449	0.8
72.70108	0.8
79.05496	8.0
79.21671	0.9
81.07055	15.8
83.04999	1.3
83.08611	4.8
85.06538	2.4
85.31329	0.9
91.05478	4.7
93.07050	10.3
95.04990	1.3
95.08607	13.5
97.02908	1.8
97.06527	3.3
97.10171	1.2
105.07034	5.4
107.08597	9.9
109.06520	12.1
109.10146	5.1
111.08092	1.9
115.38064	1.0
115.44009	0.9
119.08604	5.9
121.10139	5.4
122.07301	1.1
123.08072	52.4
123.11715	2.7
124.08408	1.3
125.05687	0.9
125.09677	1.0
131.08565	2.2
133.10156	5.6
135.08047	8.9
135.11697	3.5
137.09607	2.9
145.10114	2.2
147.11697	4.6
149.09662	2.6
149.13287	1.3
157.22359	0.8
159.11694	2.4
161.09573	1.0
161.13266	1.6
165.12750	0.9
165.44888	1.0
173.13184	1.1
175.14793	0.9
177.12729	2.6
179.14317	36.1
180.14682	1.1
181.68898	0.9
191.14380	1.4
237.26591	1.0
263.20090	1.9
275.20139	3.6
293.21161	2.9
303.26929	5.7
313.25177	1.2
315.85287	0.9
331.26315	40.2
332.26730	2.2
349.27325	10.6
351.88815	1.0
355.42462	1.1
362.37061	1.0
367.24966	2.7
405.30078	2.1
423.31073	100.0
424.31424	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01871	8.5
55.05510	25.8
57.03434	7.9
57.07077	7.4
59.04989	3.0
61.02918	1.1
65.03938	4.6
67.05502	79.6
68.05819	1.1
69.03429	16.2
69.07063	25.8
71.01345	1.6
71.04993	9.1
71.08624	4.6
71.59229	1.6
73.02912	3.1
79.05489	59.9
81.03412	13.8
81.03864	1.4
81.07053	82.9
83.04987	5.1
83.08613	11.8
85.02905	6.6
85.06535	5.1
86.33316	1.1
91.04889	2.1
91.05476	38.9
92.05788	1.3
93.07040	73.8
95.04970	9.5
95.08604	57.7
97.02886	50.1
97.06514	7.3
97.10180	4.7
99.04449	16.5
99.08107	3.3
101.02380	1.9
103.05488	1.9
103.40272	1.1
105.07025	32.2
107.08590	40.5
109.02844	6.8
109.06514	22.9
109.10149	31.6
111.04474	3.0
111.08106	4.5
117.07015	14.0
119.04946	1.8
119.08572	30.4
121.06514	2.6
121.10142	33.2
123.08063	52.6
123.11685	9.8
125.09629	1.1
127.03908	19.7
129.07027	3.8
131.04916	2.2
131.08560	19.9
133.06491	1.1
133.10129	24.1
133.11092	1.8
135.08051	10.9
135.08838	1.1
135.11690	19.3
137.09605	4.9
137.13272	2.8
139.11195	1.4
141.09474	1.1
143.08514	4.9
144.09329	1.2
145.04900	2.3
145.06456	1.8
145.10106	16.2
147.08115	2.4
147.11684	15.5
149.09622	5.9
149.13254	13.6
151.11224	2.8
155.08562	2.1
157.10161	3.0
159.08034	1.2
159.11659	14.2
161.09624	2.6
161.13239	9.5
163.11171	2.2
163.14838	4.5
165.12820	3.3
167.14330	2.1
169.10202	1.8
171.11777	3.0
173.09705	2.5
173.11754	3.4
173.13309	9.4
175.11235	1.2
175.14859	4.9
177.12790	4.7
177.16339	2.2
179.14301	71.1
183.11745	2.2
185.13281	3.0
187.11179	1.1
187.14804	5.4
189.16414	2.3
191.14423	2.0
193.15955	3.0
195.11588	1.1
195.13898	1.7
199.11266	1.1
201.16412	1.3
205.15973	3.1
211.14845	1.4
215.14288	1.3
215.18166	1.6
216.00574	2.2
219.17412	1.4
227.60466	1.0
231.21059	1.3
233.19160	1.8
241.19582	1.8
243.21046	5.5
259.20547	5.5
261.22125	24.1
262.22604	1.4
263.20114	2.2
271.05957	5.9
273.22144	2.0
275.20084	3.5
277.21722	2.6
279.23221	3.1
289.22067	1.9
289.25314	1.6
293.21307	3.1
303.23395	1.3
303.26904	3.4
329.24915	1.4
331.22723	1.7
331.26288	48.9
332.26596	2.1
339.23276	2.5
349.03732	2.1
349.27420	13.3
350.27652	1.7
357.24405	3.2
367.25006	2.8
369.24371	1.9
387.25406	1.8
405.30359	2.4
423.10818	1.6
423.31219	100.0
424.31519	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.9
53.03944	8.6
53.57135	1.7
55.01863	7.4
55.05264	2.4
55.05508	29.8
56.13028	1.7
57.03433	12.5
57.07063	5.6
61.02910	1.8
63.38078	1.7
64.12556	1.8
65.03934	6.1
67.05505	97.6
69.03075	2.8
69.03430	38.3
69.07069	30.2
69.66628	10.4
69.67039	2.6
71.01335	3.1
71.04983	7.4
71.74180	1.8
72.26769	1.8
73.02906	5.7
79.05493	69.6
81.03416	50.3
81.03784	1.0
81.07054	100.0
81.24109	1.8
82.07384	2.0
83.04971	11.3
83.08611	16.3
85.02901	18.0
85.06528	5.5
87.04455	4.0
91.04897	2.2
91.05476	62.3
93.07041	95.7
95.04976	18.6
95.08606	78.4
97.02889	13.5
97.06495	8.6
97.10168	6.1
99.04456	10.9
99.08131	1.8
103.03934	6.9
103.05478	2.2
103.74950	1.7
105.04526	1.6
105.07030	58.5
107.04949	10.3
107.08592	50.0
109.02864	6.1
109.06542	8.8
109.10160	33.9
111.04419	9.5
111.08089	5.2
115.03938	3.4
115.05497	2.6
117.06998	23.3
119.08585	47.4
121.06522	9.9
121.10155	43.0
123.04459	3.2
123.08054	7.0
123.11689	11.5
125.09620	2.9
127.03910	6.9
128.06241	3.8
129.05466	5.8
129.07005	17.0
130.07777	2.2
131.08572	31.2
133.06490	3.0
133.10132	36.9
135.08052	7.6
135.11688	28.4
137.06087	1.8
137.09602	4.6
137.13272	3.4
139.11148	3.0
141.06989	5.1
142.07764	2.5
143.08578	18.3
145.06502	4.6
145.10118	29.2
147.08032	4.5
147.11693	25.8
149.09605	5.2
149.13264	18.2
151.07585	2.3
155.08582	5.5
157.06496	2.7
157.10146	12.5
159.08061	5.8
159.11691	21.5
161.09584	4.8
161.13266	18.1
163.11104	2.9
163.14828	6.5
165.12761	2.4
167.08519	2.5
169.10120	6.8
171.07993	2.7
171.11665	12.9
173.09579	3.0
173.13287	18.3
174.36937	2.0
175.11223	3.9
175.14825	10.6
177.12767	4.1
177.16435	2.3
179.14281	5.5
181.10080	6.0
183.11729	4.9
185.09435	1.9
185.13275	10.1
187.11145	5.0
187.14830	8.0
189.12802	4.7
189.16446	3.2
191.14351	2.1
193.15764	2.2
195.11734	2.2
195.13867	2.3
197.13277	6.1
199.11172	2.5
199.14853	4.6
205.12268	2.6
209.13464	2.1
211.14832	2.5
213.12738	4.1
213.16298	2.9
217.12135	2.3
219.17419	2.4
221.13326	1.9
223.14899	2.3
231.13821	2.2
241.19583	7.0
243.21054	4.8
247.16803	2.2
249.14830	4.8
253.19841	2.4
259.20560	16.6
261.22116	26.6
271.20554	2.7
273.22134	8.0
275.23691	4.2
277.14273	2.2
277.21637	6.8
279.23312	2.1
285.22089	2.3
289.18018	2.6
289.21561	5.9
301.21512	4.1
303.23218	16.5
313.21698	2.5
315.23193	5.4
319.22540	2.3
323.24133	1.9
327.23105	3.3
331.22678	3.3
331.26395	2.7
332.94748	1.9
341.24692	5.5
345.24225	4.6
351.23114	6.0
357.24347	2.2
369.24225	19.9
387.25305	17.2
405.26303	20.9
423.26950	15.7
423.36118	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76739	1.4
53.03945	9.9
55.01876	12.0
55.05512	30.9
56.80095	1.5
57.03440	8.8
57.07079	6.0
59.05018	2.1
60.84531	1.7
61.02903	1.8
65.03947	4.5
67.05505	99.1
69.03430	27.7
69.07069	23.8
69.40112	5.9
69.40538	9.8
71.01360	2.3
71.04990	11.1
71.08646	3.2
73.02927	6.0
73.75150	1.5
79.05492	83.3
80.06297	1.7
81.03417	21.7
81.07056	100.0
83.04998	6.6
83.08612	11.5
85.02921	7.8
85.06552	4.9
91.05482	44.8
93.07044	95.4
95.04973	12.1
95.08609	74.5
95.09229	2.4
97.02893	75.9
97.06555	7.1
97.10175	4.5
98.21545	3.9
99.04453	29.7
99.08114	3.2
101.02405	3.0
105.07030	42.2
106.23248	1.6
107.04966	2.1
107.08595	46.8
107.09275	3.1
109.02885	13.1
109.06504	17.6
109.10161	36.9
109.10908	1.8
111.04485	2.7
111.08115	4.2
115.05471	1.6
117.07013	19.7
119.08582	35.4
121.10146	47.3
123.08067	37.9
123.11697	10.7
125.09682	3.3
127.03925	34.3
129.07054	5.7
131.05016	3.6
131.08560	28.8
131.41905	1.4
133.06529	2.4
133.10132	26.3
135.08121	7.2
135.11693	28.3
137.09695	5.2
137.13226	3.7
141.07039	1.7
143.08606	4.9
145.05002	5.3
145.06491	3.4
145.10118	21.0
147.08141	2.1
147.11664	21.9
149.09651	3.7
149.13235	14.8
153.12785	1.9
155.08586	2.0
157.10138	3.7
159.08232	2.3
159.11687	16.1
161.09647	2.2
161.13298	16.5
163.11278	2.3
163.14937	4.1
165.12807	2.1
167.14461	1.7
169.10240	2.7
171.11763	3.8
173.09749	2.5
173.11885	3.6
173.13228	13.9
175.14922	5.6
177.12816	2.6
179.14308	36.0
179.15756	1.8
185.13373	3.7
187.14894	7.2
191.14406	3.0
199.14888	2.8
201.16592	2.1
211.14955	2.1
241.19505	2.2
243.21188	6.8
259.17987	1.8
259.20532	8.5
261.22162	34.2
261.24744	2.0
271.06317	2.7
273.22299	3.2
275.20316	3.1
277.21741	2.0
279.23273	1.9
285.22195	2.0
293.21204	1.9
303.26938	2.3
329.24817	3.7
331.26242	28.0
339.23398	3.0
349.03598	2.8
349.27701	5.1
357.24582	5.6
369.24304	2.4
387.25494	3.1
405.26425	2.1
423.25977	3.3
423.31354	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99987	1.3
53.03933	2.4
55.01851	1.5
55.05508	14.6
56.96532	1.4
57.03423	4.1
57.07071	1.5
59.04998	3.1
60.78925	1.3
65.03943	3.2
67.05504	100.0
69.03430	3.6
69.07066	11.5
70.04079	2.3
70.32519	6.0
71.04978	4.6
79.05492	23.8
81.03416	6.8
81.06580	2.7
81.07059	53.1
83.04978	3.5
83.08612	11.8
85.06526	4.8
91.04959	2.2
91.05483	22.9
93.07040	33.7
95.04974	4.9
95.08611	20.0
97.02888	1.5
97.06528	5.9
97.10148	2.0
99.04456	2.2
99.08102	1.4
101.87163	1.2
103.26739	1.3
105.07027	8.9
107.08582	16.5
109.06504	2.9
109.10156	56.5
110.82426	1.3
111.08070	5.1
117.07042	5.9
119.08600	10.5
121.10165	11.3
123.11707	3.9
131.08583	5.9
133.06488	1.6
133.10123	8.4
135.08009	1.9
135.11707	5.9
137.09636	3.7
145.10149	3.6
147.11708	5.3
149.13271	16.8
155.10683	2.0
159.11693	8.8
161.13170	1.5
171.11722	1.7
173.11771	17.4
173.13196	3.0
177.12752	3.5
179.14391	2.6
179.90179	1.4
187.14755	1.4
195.13727	6.4
261.22159	2.5
271.05969	3.9
301.21628	1.3
303.23248	2.3
363.24561	1.3
369.24136	3.4
387.25494	1.9
405.26761	1.6
423.10989	1.7
423.27252	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60929	0.7
53.03929	1.3
55.01860	1.5
55.05512	13.0
57.03415	3.6
57.07056	2.0
59.04975	3.4
62.31683	0.8
65.03918	2.3
67.05503	100.0
68.05817	1.1
69.03403	1.3
69.07063	9.2
69.39863	4.6
69.40288	3.4
71.05012	4.3
79.05488	21.3
81.03379	1.8
81.07056	41.3
83.04957	2.6
83.08618	12.6
85.06522	3.6
91.04971	1.2
91.05478	15.6
93.06480	1.4
93.07040	24.4
95.04931	3.7
95.08597	12.8
97.06544	4.4
99.08107	1.0
105.07034	5.0
107.08591	12.9
109.10153	58.5
110.10415	0.9
111.08077	4.6
117.06989	3.8
118.74351	0.9
119.08600	5.1
121.06477	1.4
121.10155	7.8
123.11674	1.8
131.08563	4.1
133.10120	6.3
135.11644	2.7
137.09576	3.3
139.11107	1.0
149.13257	10.9
155.10634	2.8
159.11691	5.2
173.11740	18.7
177.12720	2.6
179.14325	1.4
195.13782	8.6
271.05786	2.3
307.54700	0.8
423.27252	32.1
424.27756	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01860	4.9
55.05507	26.8
57.03436	7.8
57.07072	5.9
59.05331	2.7
61.80625	2.6
65.03928	4.5
67.05504	100.0
69.03432	17.7
69.07066	26.8
69.52039	22.0
71.04984	6.9
79.05489	43.9
80.44620	3.0
81.03407	19.0
81.07054	90.0
83.04958	8.2
83.08623	16.0
85.02890	9.0
85.06507	6.5
91.05479	36.4
93.07036	54.5
95.04952	14.8
95.08603	47.2
97.02876	10.0
97.06522	10.4
97.10159	4.8
98.21457	5.6
99.04443	7.0
105.07029	40.5
107.04920	3.1
107.08582	35.7
109.06516	22.9
109.10156	35.5
109.90601	3.0
111.04429	4.2
111.08060	4.6
117.07005	10.8
119.08563	35.3
121.06512	3.1
121.10145	31.7
123.08059	43.4
123.11694	9.7
127.03930	5.2
129.05481	3.8
129.07008	5.9
131.08575	20.3
133.10144	21.5
135.08063	12.1
135.11684	16.8
137.09604	4.1
139.11131	3.0
141.07001	4.3
143.08548	7.1
145.06465	3.6
145.10118	14.9
147.11661	12.6
149.09639	8.7
149.13300	15.2
157.10085	7.6
159.11729	16.2
161.13239	7.2
169.10123	4.6
171.11676	6.7
173.11780	8.5
173.13301	9.5
175.11182	3.5
175.14796	5.1
177.12706	4.3
179.14302	69.9
185.13326	4.8
187.14774	5.4
195.11986	3.6
195.13737	4.5
197.13127	3.8
199.14850	3.9
205.15860	3.6
243.20911	3.5
259.20416	5.7
261.22186	12.5
271.06058	17.0
283.12305	3.3
289.21616	5.6
303.23160	8.2
303.26602	5.5
331.22705	5.2
331.26321	40.8
344.18384	3.1
346.22174	3.2
349.27365	5.9
369.24152	5.0
387.25208	6.1
405.26108	6.4
423.31430	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2353
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.03937	0.7
55.05513	3.9
57.03439	1.6
57.07071	1.1
59.04995	0.7
62.28249	0.6
65.03929	1.2
67.05510	21.6
67.05875	1.1
69.03413	1.2
69.07073	3.7
73.02886	0.6
79.05502	7.5
81.03410	1.0
81.06583	0.8
81.07061	11.4
83.04967	1.3
83.08601	2.9
85.06540	0.9
88.07594	0.7
91.05482	6.7
93.07046	8.5
95.04960	1.7
95.08607	5.9
97.06503	1.7
97.10151	0.8
102.09187	0.7
105.07053	4.5
107.04984	0.7
107.08593	4.7
109.06529	1.1
109.10164	11.0
111.04391	0.9
111.08081	0.8
115.05466	0.6
117.07022	2.3
119.08607	3.3
121.06501	1.0
121.10152	3.1
123.04571	0.8
123.08103	1.0
125.09566	0.6
128.06203	0.6
129.07011	1.8
131.08563	3.3
133.10158	3.5
135.08058	1.3
135.11685	1.7
137.09595	0.8
143.08578	1.1
145.10123	1.5
147.08110	0.5
147.11717	1.0
149.02327	1.5
149.09595	0.6
149.13237	2.8
151.11198	0.7
157.10059	1.3
159.11713	2.1
161.09633	0.7
161.13251	0.9
169.10092	0.7
171.11676	1.1
173.11751	2.3
173.13208	1.0
175.11166	0.7
175.14879	0.8
177.12755	1.0
177.38637	0.6
179.14293	1.0
193.04951	0.9
194.05336	1.4
195.13795	1.3
257.26752	0.9
271.05960	1.7
295.20615	0.8
298.21619	0.7
303.23138	1.4
313.21594	1.9
331.22556	2.3
331.26080	0.8
349.19727	0.9
387.25607	0.9
405.26257	2.3
423.23468	100.0
423.27890	5.0
424.23886	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
53.27368	0.7
55.01869	2.2
55.05515	5.8
57.03426	2.6
57.07064	1.1
59.04980	1.0
67.05507	37.1
69.07076	5.7
70.06574	1.1
71.03968	1.7
71.04308	0.9
71.04993	2.2
72.38190	0.8
79.05500	12.8
81.03429	1.0
81.07068	22.5
83.04983	1.8
83.08604	4.5
88.07591	0.9
91.04995	0.9
91.05493	12.4
93.07050	13.5
95.04970	2.1
95.08618	9.4
95.09183	1.4
97.06514	2.1
97.10129	1.2
99.08061	1.3
102.09166	1.6
105.07032	8.6
107.08590	8.2
109.06483	2.3
109.09461	1.4
109.10162	20.0
111.08076	1.9
117.07012	3.8
119.08602	7.2
121.10167	4.9
122.42574	0.8
123.08088	2.1
123.11689	1.5
128.06200	0.9
129.07002	3.1
131.08597	4.2
133.06522	1.1
133.10106	3.8
135.11656	2.6
137.09608	1.2
143.08591	2.1
145.10115	3.5
146.67137	1.1
147.08134	1.3
147.11673	2.5
149.02335	6.0
149.09619	1.2
149.13222	4.7
150.02678	2.1
155.08592	0.9
157.10161	1.6
159.11687	2.9
169.10136	1.2
171.11659	1.9
173.11751	4.4
173.13147	1.6
177.12778	1.9
179.14291	2.6
185.13271	1.9
189.12744	0.9
193.04959	5.4
194.05345	2.1
195.13780	2.4
252.00348	1.0
252.99928	2.3
256.26492	1.0
257.26785	2.9
271.06049	4.4
303.23148	1.5
313.21545	4.4
331.22623	3.9
349.19794	1.3
405.26297	2.0
423.23416	100.0
423.28430	11.5
424.23734	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	423.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52535	5.6
53.03938	20.2
54.04289	5.5
54.84290	5.3
55.01856	22.0
55.05499	17.3
57.03442	10.9
61.02926	7.0
67.05503	37.6
68.99786	15.3
69.03143	6.6
69.03434	76.2
69.07064	42.0
69.86813	39.3
70.06580	19.1
70.96800	5.4
71.04996	11.0
72.08158	10.5
73.02901	11.9
79.05516	33.6
81.03419	59.8
81.07048	39.0
83.04967	21.4
83.08614	11.0
84.04511	12.2
85.02900	62.2
87.00838	28.4
88.69719	6.1
91.05478	55.0
93.07043	48.9
95.04979	32.3
95.08611	44.7
97.02901	64.3
97.06520	13.9
99.04459	20.6
105.01887	14.2
105.07026	61.3
107.04923	17.7
107.08598	82.2
109.02882	49.7
109.06495	27.4
109.10162	54.8
111.04419	25.9
111.08056	8.0
115.03928	13.7
115.05458	7.9
117.01948	7.1
117.06988	11.0
119.04922	9.9
119.08585	93.7
121.06500	22.4
121.10149	91.7
123.04420	17.4
123.08047	24.7
123.11698	25.6
125.02328	19.9
125.05951	6.5
127.03923	63.2
128.06212	6.3
129.01845	8.7
129.06996	7.6
131.08563	22.1
133.06538	9.8
133.10124	78.1
135.04457	8.1
135.11665	56.3
137.05968	13.1
137.09584	20.8
139.07532	6.1
142.07770	7.0
143.08566	16.2
143.11842	6.1
145.06497	10.6
145.10135	38.2
147.04411	9.9
147.08076	11.0
147.11679	39.8
149.05994	7.4
149.13254	19.0
151.03798	6.8
155.08578	12.0
157.10152	20.2
158.10922	8.3
159.02995	6.0
159.08110	13.2
159.11736	28.5
161.09622	8.3
161.13245	24.8
163.03900	12.5
163.11212	14.9
163.14871	7.5
165.05490	6.3
169.10188	6.8
170.15909	5.7
171.11719	8.1
173.09660	10.8
173.13258	46.2
175.07832	11.0
175.14803	72.6
175.80721	6.0
177.12697	6.9
179.10565	9.1
185.09589	8.1
185.13210	16.5
187.14807	24.9
189.12769	8.6
189.16290	7.6
191.14293	9.5
193.15918	22.6
197.13312	8.0
199.11218	8.6
199.14833	15.3
201.16411	7.2
201.20224	6.0
203.14275	13.1
205.15839	8.8
211.14801	8.2
213.03908	8.0
215.14377	10.2
217.15843	12.1
243.06589	14.2
255.17389	7.4
259.06039	8.1
271.06049	100.0
283.16974	13.2
301.18045	25.1
319.19043	11.0
337.20038	17.4
405.19223	17.8
415.27127	7.1
423.10876	22.7
423.20090	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05516	2.2
57.03423	0.5
60.04511	0.4
60.08158	3.6
61.04056	0.9
63.69375	0.4
67.05489	0.5
68.29579	0.3
69.03423	1.5
69.38960	3.5
70.06579	0.4
72.08150	1.0
73.02905	0.4
73.06551	5.6
79.05477	0.8
81.03409	1.5
81.07056	0.6
85.02905	1.9
87.00815	0.6
90.09188	100.0
91.05465	0.5
91.09524	1.0
93.07041	0.7
95.08574	0.5
97.02884	0.7
98.06012	0.4
103.08710	3.6
105.01913	0.4
108.04466	0.5
109.02880	1.3
115.57396	0.3
116.07094	0.9
119.08608	0.4
121.10150	0.4
122.51051	0.3
123.04427	0.3
126.05509	1.3
127.03914	1.6
131.08568	0.4
132.10219	0.4
139.03799	0.4
145.04955	0.4
157.13341	0.6
159.02916	0.8
163.03999	0.4
165.67444	0.3
175.03809	0.4
175.14413	55.4
176.14745	0.7
178.87744	0.3
271.05927	3.5
338.14453	5.3
387.95996	0.3
423.10541	0.5
444.89072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
60.08146	3.9
61.02903	1.0
64.00340	1.2
64.87457	1.0
69.03416	3.1
70.06594	1.7
71.14948	2.4
72.08138	1.4
73.06548	5.6
73.12128	1.0
81.03389	2.5
83.04939	1.1
85.02899	5.0
86.09686	1.7
87.00812	2.0
90.09194	100.0
91.05480	5.2
97.02868	3.0
100.09431	1.0
103.08706	3.0
105.01762	1.1
109.02846	2.6
111.04472	1.9
116.07085	1.4
117.89091	1.1
119.04933	2.8
122.06013	2.9
123.04442	30.8
127.03920	3.2
135.04478	1.7
139.03894	4.2
147.04364	8.6
151.03935	2.8
161.06046	1.6
163.03911	16.8
164.04016	1.3
165.05531	4.9
175.14420	60.3
177.05435	1.3
181.04961	5.0
189.05476	2.6
205.04926	3.2
207.06480	1.5
213.05666	1.4
217.05122	1.9
235.06044	3.9
247.06107	1.5
271.08264	2.9
315.08652	2.4
338.14532	3.9
355.47260	1.1
357.09659	1.3
405.12433	1.5
423.13437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00999	0.4
56.96562	0.4
71.58231	0.6
79.05502	0.5
81.03336	0.3
85.02906	0.8
89.03898	1.2
91.05441	0.5
97.02903	0.3
102.26443	0.3
107.04983	0.4
117.03397	1.6
123.04432	1.0
134.03650	0.3
135.04427	1.6
139.03902	1.0
145.02892	2.1
147.04422	0.8
160.22346	0.4
163.03915	4.8
164.04221	0.5
177.05504	1.3
183.03189	0.4
199.03741	1.0
219.01884	0.4
237.02843	1.0
247.04306	2.7
261.13113	11.5
275.03018	0.4
287.99619	0.4
377.11182	0.4
423.18384	100.0
424.18686	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1429
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
53.27250	0.9
56.96548	1.2
58.99587	7.1
67.05501	6.6
69.03426	7.3
69.07065	15.7
71.58414	1.7
76.02219	2.9
81.03405	2.2
85.02904	9.1
86.88292	1.1
91.73640	1.0
95.04962	3.5
97.02877	5.0
99.02666	2.9
99.04502	1.2
101.04237	50.2
109.02891	1.3
110.06036	1.3
112.07597	3.4
119.19598	0.9
122.02723	1.0
126.05487	1.1
127.02135	3.7
127.03921	1.8
127.05733	1.9
129.03732	2.0
138.05525	1.8
140.07060	6.7
141.33820	1.0
147.04433	1.1
155.01634	2.0
163.03874	2.2
170.06364	2.1
172.04269	100.0
173.04605	1.7
180.04857	1.1
182.08156	2.4
197.07349	1.7
198.05774	5.0
208.88210	1.0
214.05333	9.5
215.08533	5.7
237.02711	1.2
238.05125	1.2
244.06366	6.7
261.09067	15.5
284.10693	1.1
303.10040	2.8
342.10056	1.2
360.10587	1.3
377.13809	7.6
423.14285	38.3
423.19745	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88899	0.4
53.03941	0.7
56.96554	0.5
57.03427	0.7
58.09406	0.4
58.14487	0.4
58.99587	8.5
60.15983	0.5
61.01142	0.6
61.02914	1.1
64.14944	0.5
67.05188	0.6
67.05505	7.5
69.03426	5.0
69.07067	18.7
70.89310	1.4
71.04986	0.9
73.02865	0.5
76.02228	4.0
81.03407	1.8
85.02906	9.5
88.03994	0.6
93.07050	0.5
95.04972	3.0
97.02910	4.2
98.97578	0.7
99.02680	2.5
99.04444	1.0
101.04243	47.3
102.03738	0.7
109.02845	1.4
110.06003	1.5
112.07584	2.1
122.02703	0.8
126.05492	0.8
127.02143	5.5
127.03895	1.6
127.05777	3.1
128.98653	0.5
129.03714	2.6
136.07556	0.7
138.05504	0.8
140.07060	8.8
143.84215	0.5
145.04988	0.8
147.04393	0.6
153.03702	0.6
155.01613	1.4
167.06975	0.7
168.04750	0.8
170.06357	3.1
172.04271	100.0
173.04631	1.2
173.35320	0.5
180.04771	1.5
182.08177	3.4
197.07431	3.2
198.05826	6.0
206.08165	0.6
214.05336	10.3
215.08453	5.8
220.10162	0.5
238.05283	0.8
244.06392	9.1
248.09398	0.6
261.09055	16.3
286.07455	1.2
302.01050	0.5
303.10114	1.9
334.09564	3.6
339.10312	0.6
359.12347	0.8
369.11218	0.7
377.13760	8.4
423.14304	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1075
Annotation	Thonningine A
Peak:m/z	Relative Intensity
52.72617	0.2
55.05499	0.3
58.15357	0.2
65.82427	0.2
67.05495	0.4
68.99794	0.3
69.03408	0.7
69.07057	0.3
70.24856	1.1
79.05470	0.5
81.03393	0.3
81.07047	0.5
84.04480	0.4
85.02874	0.5
91.05438	1.1
93.07036	0.4
95.04945	0.4
95.08601	0.3
97.02876	0.4
99.04386	0.3
101.18570	0.2
101.75966	0.2
105.07022	0.5
105.07880	0.2
106.92801	0.2
107.04929	0.2
107.08614	0.3
109.02860	0.2
109.10127	0.5
112.67229	0.2
115.05442	0.6
117.06916	0.2
119.04929	2.3
119.08534	0.3
121.10143	0.2
123.04428	3.6
124.07582	0.5
127.03934	0.5
129.07008	0.3
130.82132	0.2
133.06445	0.3
136.06137	0.6
141.06992	0.4
143.04903	0.2
147.04405	4.3
147.06271	0.3
161.06023	0.4
165.05444	0.3
169.06522	1.1
171.04344	0.4
174.07626	0.3
175.07808	0.3
189.05428	0.9
191.07053	0.3
197.05972	1.0
200.04646	0.5
215.07047	1.8
217.04956	5.2
218.05266	0.4
225.05484	0.5
227.07008	0.5
243.06546	9.6
244.07062	0.6
255.06564	0.8
258.05222	0.3
259.06039	9.1
260.06244	0.3
271.06009	100.0
272.06418	4.2
283.06104	1.2
283.09982	0.2
285.07474	0.5
301.07083	2.8
348.21652	0.3
349.21912	0.5
380.17462	0.3
399.20438	0.3
405.09445	0.4
422.25150	0.2
423.10736	23.3
423.25626	2.4
424.11148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
67.05489	0.6
69.03391	0.8
71.59264	0.2
71.59688	0.3
74.66454	0.2
79.05473	0.6
81.03400	0.3
81.07037	0.4
82.12146	0.2
84.04482	0.3
85.02882	0.5
91.05443	1.0
93.07009	0.5
95.04933	0.3
95.08580	0.5
97.02891	0.3
105.06982	0.5
107.04954	0.4
115.05429	0.6
116.71674	0.2
117.03366	0.3
117.07042	0.2
119.04951	1.3
119.08550	0.7
119.33077	0.2
121.10091	0.2
123.04425	2.3
127.03897	0.5
131.04889	0.3
133.06531	0.4
133.10103	0.4
135.11671	0.2
136.06181	1.5
136.07143	0.3
137.05876	0.3
139.03854	0.3
141.06987	0.5
145.02789	0.4
145.10110	0.4
147.04408	2.8
161.05963	0.4
163.03886	1.0
165.05493	0.4
167.06995	0.7
169.06483	1.4
173.05861	0.3
175.07666	0.3
175.14758	0.7
177.05482	1.1
181.05055	0.3
187.07486	0.3
189.05424	0.9
197.05994	1.6
200.04678	0.5
201.05508	0.5
215.06992	1.7
217.04947	4.4
225.05371	0.4
226.60524	0.2
227.06972	0.3
243.06512	9.3
244.07248	0.4
255.06566	0.6
259.06024	6.6
259.08746	0.4
271.05994	100.0
272.06387	3.5
273.07565	0.3
283.06046	0.5
301.07065	2.1
423.10715	17.1
423.24823	0.5
424.11014	1.1
433.35797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05504	1.5
60.34238	0.8
67.05499	1.7
69.03408	2.7
69.07075	1.3
69.53915	0.7
70.06587	7.4
71.04992	1.4
71.58975	1.2
72.08156	6.3
72.61118	0.8
76.02217	1.0
79.05485	1.4
81.03419	2.0
81.07047	2.7
83.04971	1.2
84.04504	1.7
85.02892	1.8
86.09691	2.7
91.05467	1.7
93.07036	1.9
95.04946	1.3
95.06111	1.1
95.08600	2.2
97.02881	2.0
97.10155	0.8
107.08610	1.1
108.08035	0.7
109.10163	1.3
112.02222	1.1
115.08642	0.7
119.08570	2.9
120.08134	2.0
121.10160	1.2
123.04424	1.7
123.85902	0.8
130.05023	0.9
131.04910	1.0
131.08511	1.2
133.10147	1.7
136.06165	2.3
136.07521	0.8
137.05959	1.2
143.08446	0.8
143.11771	4.3
147.04417	1.0
149.72646	0.8
151.03838	1.8
165.05391	0.9
167.03235	1.7
171.11227	1.8
174.02901	2.0
174.07727	0.9
175.03687	7.0
175.14709	0.8
177.05411	1.0
182.08173	0.9
185.04237	1.4
188.48059	0.8
203.03154	1.1
227.05319	5.9
241.87759	0.9
243.06564	1.9
259.05930	1.5
271.03760	3.7
271.06503	11.8
337.08929	7.8
361.08862	1.3
379.09982	62.1
380.10312	2.7
408.83945	0.9
423.08948	100.0
424.09174	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	422.253
Annotation	Blacknine
Peak:m/z	Relative Intensity
53.03940	0.9
55.01861	2.2
55.05511	17.4
57.03417	1.4
61.13688	0.9
65.03916	1.1
67.05503	8.5
69.03424	2.2
69.07056	2.8
69.32226	5.7
69.32657	3.0
71.04988	11.6
79.05488	5.6
80.05020	3.9
81.03397	1.0
81.07056	6.2
82.06563	1.5
83.04990	1.4
83.08617	7.7
88.77728	0.8
91.05489	4.1
93.05795	1.0
93.07044	4.5
94.06565	22.9
95.04955	0.9
95.08613	2.1
97.10168	10.9
99.04450	2.6
103.13223	0.9
105.07021	3.4
106.06538	3.3
107.08588	4.8
108.04465	1.2
108.08085	1.3
109.10153	2.6
111.08006	1.3
117.05599	1.1
117.07027	1.7
118.06517	2.3
119.08557	2.3
120.08108	5.3
121.08893	1.6
122.06011	1.1
123.07993	1.2
125.09593	4.9
131.07365	1.4
132.08090	4.2
134.05971	1.2
134.09653	15.9
135.10425	1.0
136.11212	20.7
144.08051	1.7
145.08899	1.0
146.09651	3.7
147.10426	0.9
148.07579	1.9
148.11183	2.0
150.09116	1.2
158.09677	3.1
159.10463	1.1
160.07530	0.8
160.11185	2.5
162.09161	4.6
170.09610	1.3
174.09149	1.5
174.12735	2.4
176.10736	1.0
178.08621	11.5
180.10199	1.4
188.14374	1.0
192.10188	15.9
198.12790	1.1
200.10857	1.0
200.14319	0.8
204.10211	1.2
206.11746	1.1
210.11282	2.0
216.13731	1.3
218.11761	2.5
218.15454	1.6
220.13345	2.3
232.13293	13.6
234.14899	3.5
236.12708	1.9
242.18884	1.0
242.49164	0.8
246.14793	1.4
252.15912	3.2
252.99980	3.9
270.18549	2.5
271.06006	2.4
288.19577	6.4
298.18054	3.4
299.25195	1.0
306.20578	5.4
316.19150	7.5
332.18552	3.7
344.18747	5.5
344.22244	1.6
358.23843	1.7
362.19662	5.0
362.23428	1.0
368.22110	2.0
380.20758	2.6
386.23260	18.0
404.24350	30.6
405.24612	2.2
422.25366	100.0
423.25684	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	422.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
67.05509	0.7
69.03417	1.7
70.06580	0.9
70.34117	0.6
71.04983	0.6
71.58793	1.2
71.66489	0.6
78.84151	0.5
81.03397	1.0
83.04938	0.8
84.04495	1.2
85.02910	4.3
85.04013	0.9
95.04968	0.6
97.02870	2.5
97.06540	0.6
99.05553	1.1
111.04451	1.0
115.05024	3.1
120.08107	0.6
121.02894	0.6
123.04412	2.6
127.03915	1.6
127.05038	1.5
130.06522	24.8
130.07498	1.4
132.04460	0.7
132.06807	1.8
134.05983	1.9
135.04391	1.7
139.03894	1.6
144.08124	0.7
145.02777	0.9
145.04964	1.1
146.06023	3.7
147.04401	0.9
156.08060	1.6
157.07608	66.3
158.06013	1.2
158.07985	1.5
159.09236	0.9
160.07690	0.7
163.03914	3.6
170.06012	0.9
183.06593	1.2
185.07138	5.0
188.07098	0.6
196.07585	0.8
199.12444	0.9
210.09108	0.8
212.36264	0.7
213.10205	0.6
214.09741	11.9
226.07375	2.1
227.08096	1.1
227.11745	2.4
240.08917	0.9
241.09764	0.9
242.09239	100.0
243.09534	1.2
247.04158	1.3
255.11328	7.6
260.10303	13.5
283.10757	2.7
284.10361	0.8
294.62454	0.6
301.11868	9.5
338.11261	1.0
386.13266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01855	3.3
55.42166	0.7
56.05035	3.9
57.03436	5.6
60.04261	1.1
60.04527	13.8
61.02921	3.7
64.85776	0.7
65.80547	0.8
68.05012	2.2
68.99785	2.3
69.03430	28.5
69.94957	1.7
69.95364	3.1
71.01355	0.7
71.04987	3.1
71.98057	0.6
73.02923	5.7
74.06062	0.8
81.03419	24.7
81.07027	0.9
84.04505	88.7
84.62581	0.8
85.02905	36.4
86.06077	0.9
86.09715	6.1
87.00832	12.5
87.04453	2.0
91.03954	1.6
93.07059	1.0
95.04961	0.7
96.04510	5.4
97.02892	38.0
98.06065	1.1
99.02703	0.8
99.04450	8.5
102.05563	3.3
103.03912	1.5
105.01881	8.9
107.04989	1.0
109.02879	18.8
114.05517	13.7
115.03944	4.8
116.10735	1.8
117.01857	1.5
123.04422	1.0
126.05493	2.0
127.03915	36.5
129.01849	2.0
132.06567	2.2
135.04495	0.9
138.05501	6.4
139.03917	1.2
144.06595	1.0
145.04948	11.0
147.02859	1.7
150.49374	0.8
156.06551	5.3
159.02890	10.5
170.73738	0.8
174.07622	100.0
175.07915	1.2
187.06073	4.1
213.03871	1.4
231.05043	8.3
249.06020	1.2
259.06012	0.8
271.05994	7.2
290.08844	0.7
336.12827	1.1
351.14322	0.9
378.13913	1.2
422.07407	1.2
422.12894	11.3
423.11111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01863	6.7
55.05509	18.8
57.03439	13.7
57.06866	1.1
57.07081	12.5
64.10096	1.2
64.30987	1.2
65.03946	1.4
67.05504	34.9
69.03432	2.4
69.07063	34.4
71.04974	4.5
71.08615	4.2
71.29574	3.2
71.52565	1.3
79.05489	24.0
81.07056	40.5
83.04987	5.8
83.08606	9.6
85.06530	8.5
91.05480	15.3
93.06468	2.4
93.07043	33.0
95.04973	8.7
95.08608	32.4
97.06529	15.3
97.10163	1.7
99.08086	2.6
105.07024	14.4
107.08590	36.6
109.06511	28.4
109.10165	13.9
111.04427	8.0
111.08067	8.6
111.11673	1.4
113.08393	1.2
115.05364	1.3
117.07034	4.0
119.08581	12.8
121.06469	2.0
121.10152	13.2
123.08067	18.7
123.11703	5.7
125.05962	6.6
125.09627	1.7
129.07028	3.0
131.08556	3.7
133.10120	9.8
135.08047	26.5
135.11684	20.4
137.05971	24.1
137.09615	4.8
137.13274	4.1
139.07533	3.2
139.11095	1.5
143.08572	2.7
145.10083	7.3
145.31088	1.3
147.08078	2.3
147.11632	8.6
149.09618	4.8
149.13271	5.5
151.07526	12.2
151.11160	2.2
153.12746	5.7
159.11684	1.8
161.09624	5.6
161.13261	4.5
163.11203	4.9
163.14844	2.4
165.09224	1.8
165.12737	7.3
167.14345	4.6
169.10088	1.7
171.11678	2.1
173.13269	2.1
175.11177	3.2
175.14677	1.7
177.12761	8.0
179.14305	5.3
181.12218	8.8
185.13283	1.8
189.16412	1.5
193.12221	3.1
195.13814	2.6
203.14311	2.4
217.14287	2.8
221.19055	4.8
235.20538	6.7
249.18491	2.5
263.20047	5.2
277.21753	1.8
287.23636	1.9
303.26736	2.1
305.21396	2.8
305.24710	86.6
319.26288	34.1
329.21021	4.2
329.24796	7.8
334.20844	1.2
337.27328	1.9
347.25806	100.0
347.79010	1.3
348.26050	3.3
365.26901	11.3
393.30029	8.0
403.28622	6.2
421.24326	2.4
421.29562	37.9
422.30136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33879	1.9
53.03937	4.0
55.01871	8.6
55.05511	23.5
57.03447	12.2
57.07080	16.0
58.58909	2.5
64.53063	1.9
65.03934	2.0
67.05507	43.3
69.07069	29.4
69.43775	10.5
69.44207	8.8
70.44923	2.3
71.04996	4.3
71.08611	3.6
79.05486	25.2
81.03418	6.1
81.07056	51.7
83.04984	8.5
83.08612	12.3
85.06544	10.3
88.72318	2.0
91.05486	25.6
91.66236	2.3
93.07041	43.1
95.04971	13.6
95.08607	37.5
97.06557	9.6
97.10210	3.3
105.07029	19.6
105.74304	2.1
107.04949	4.0
107.08591	32.9
109.06514	23.7
109.10159	20.2
111.04451	6.7
111.08101	6.8
113.98337	2.0
117.07053	5.9
119.08600	21.6
121.06528	7.5
121.10146	17.3
123.08079	17.4
123.11739	6.2
125.05954	5.5
126.12857	2.0
129.07018	4.4
131.08620	9.1
133.06557	2.5
133.10130	13.1
135.08051	59.8
135.11696	14.5
137.05960	17.4
137.09639	3.6
137.13284	3.1
139.07535	3.8
143.08577	6.4
145.10156	9.7
147.08035	4.0
147.11722	9.7
149.09644	4.8
149.13300	3.5
151.07591	9.7
151.11192	2.7
153.12787	2.9
155.08698	2.5
157.10150	8.1
159.11713	6.1
161.09636	7.6
161.13254	5.3
163.11214	5.3
163.14876	2.7
165.12796	6.9
167.14349	4.2
169.10226	2.9
171.11682	3.9
173.13301	3.2
175.11307	4.8
177.12756	17.2
178.61852	2.2
179.14362	4.6
181.12329	5.6
187.14854	5.3
191.14304	3.6
193.12292	5.9
205.15848	3.5
206.16653	2.2
207.13910	2.8
211.14795	2.3
221.19099	5.5
235.20712	4.2
237.16301	2.4
263.20139	3.5
287.23727	2.3
301.25351	3.6
305.24716	67.4
306.25229	3.4
319.26416	18.9
329.21149	6.5
329.24899	11.4
347.25824	100.0
348.26303	3.1
365.26901	11.2
384.08957	2.4
393.29996	8.1
403.28790	5.3
421.24289	4.8
421.29645	78.4
421.34528	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.14666	0.8
55.01869	4.8
55.05514	11.4
57.03436	11.0
57.07077	38.4
60.56836	0.8
65.03927	1.2
67.05507	17.1
69.03437	2.2
69.07071	14.3
69.99853	3.3
70.00264	1.4
71.04976	2.3
71.08649	1.6
79.05489	12.2
81.03413	1.2
81.06578	1.7
81.07056	29.2
83.04980	2.7
83.08616	5.5
85.06543	17.6
91.05482	10.3
93.07046	13.3
95.04961	6.3
95.08048	1.7
95.08610	19.5
97.06519	4.4
97.10182	3.0
105.07037	10.2
107.04967	1.6
107.08590	17.8
109.06517	18.2
109.10148	10.5
111.04457	3.6
111.08078	3.3
117.07035	2.2
119.08591	10.2
121.06521	3.3
121.10139	8.4
123.08070	14.5
123.11736	2.6
125.05998	3.5
125.09674	1.6
129.07082	1.4
131.08549	5.1
132.09442	0.8
133.10124	6.2
135.08060	18.6
135.11678	4.8
137.05974	25.8
137.09607	1.5
137.13258	2.1
138.06815	0.9
139.07538	3.1
143.08557	2.2
145.10187	4.8
147.08047	2.5
147.11667	4.6
149.09621	4.2
149.13268	3.8
151.07552	7.6
151.11206	4.0
153.12798	2.7
157.10123	2.5
159.11700	3.4
161.09613	4.6
161.13281	2.2
163.11162	2.1
163.14792	1.3
165.09138	2.1
165.12755	9.4
167.10698	1.3
171.11684	2.6
173.13339	1.6
175.11208	3.2
175.14850	2.0
177.09251	1.3
177.12738	6.4
179.14330	5.1
181.12213	1.5
185.13274	1.3
185.27110	0.9
187.14873	1.9
189.12799	1.9
189.16388	1.2
191.14316	3.2
193.12155	2.2
195.13690	1.0
197.13185	1.0
203.14415	1.6
205.12268	1.0
207.13799	10.1
215.14595	0.9
233.19084	3.6
249.18538	1.6
260.21414	1.0
263.20084	5.2
277.18127	1.0
291.19504	1.5
291.26822	0.9
301.25192	2.1
305.24820	2.9
319.26276	14.1
329.21146	3.5
329.24890	3.9
337.27271	5.7
347.25803	100.0
348.26062	4.7
365.26874	19.4
386.65277	1.0
393.29889	12.8
393.33896	1.0
403.28629	3.8
421.25323	1.8
421.29587	41.8
421.34299	2.3
422.29752	1.2
443.87793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41664	3.8
51.02399	6.3
55.01879	7.4
55.05516	33.5
57.03432	6.7
57.07061	4.9
64.03902	3.6
65.03919	7.2
67.05504	71.3
69.03418	5.8
69.07074	32.9
69.48903	24.2
69.49333	14.9
71.04995	7.6
79.05501	55.8
81.03460	4.9
81.06590	4.7
81.07064	90.0
83.04988	10.7
83.08623	14.4
84.21745	4.0
85.06532	7.7
91.05486	96.8
93.07038	60.5
95.04976	27.2
95.08607	52.2
97.06560	7.6
97.10180	11.8
105.07029	100.0
107.08598	41.4
109.06505	16.2
109.10173	18.5
117.07007	35.6
119.08591	59.2
121.06505	16.8
121.10146	28.9
123.08099	11.6
123.11713	4.8
125.09626	4.7
126.66301	4.4
128.06160	4.1
129.07001	19.2
131.08588	72.1
133.06473	6.8
133.10130	32.3
135.08107	11.9
135.11681	8.6
137.09560	4.2
141.06985	9.4
143.08572	19.6
145.06512	6.4
145.10153	46.1
147.07974	7.3
147.11684	12.6
155.08580	13.5
157.10138	22.4
159.11700	15.5
161.09708	5.4
161.13222	6.7
167.08592	5.7
169.10153	18.8
171.11699	18.3
173.13281	8.7
175.11403	4.6
181.10164	9.8
183.11708	11.8
185.13283	12.8
187.14725	7.1
195.11780	6.2
197.13370	12.0
199.14822	10.2
201.12769	7.0
209.13196	6.9
211.14886	9.0
223.14905	5.5
225.16562	4.3
227.14275	4.8
233.15326	7.2
247.16901	6.1
255.17349	8.6
261.18466	8.3
263.20117	41.2
271.01965	4.7
283.20374	4.0
287.20117	5.4
311.20065	5.3
325.25269	10.8
329.21115	24.0
335.23587	15.2
339.84149	4.2
341.26498	4.5
343.26407	7.7
353.24811	43.1
357.27979	5.7
361.38126	4.1
371.25754	43.5
385.27582	13.8
389.26837	20.1
403.23972	8.5
403.28561	88.3
421.29587	9.8
421.34747	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2946
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
53.03938	5.6
55.01857	4.0
55.05504	36.8
57.07074	3.3
65.03934	7.3
67.05503	83.9
68.23100	3.4
69.07069	36.8
69.39995	30.8
71.05005	8.2
79.05487	59.9
81.07058	79.5
83.04961	4.1
83.08613	21.0
83.36635	3.0
85.06545	5.9
91.05481	93.1
93.07041	64.8
95.04990	17.0
95.05474	3.1
95.08607	51.0
97.06533	8.7
97.10171	9.9
98.20718	5.0
103.05427	4.5
105.07028	100.0
107.04940	4.6
107.08607	26.5
107.93556	2.7
109.06525	9.0
109.10148	18.8
115.05453	7.9
117.07038	38.0
119.08580	69.0
120.21270	3.3
121.06516	9.9
121.09369	4.9
121.10136	25.2
123.08047	2.8
125.09554	2.9
128.06216	6.6
129.07024	24.6
130.07797	3.0
131.08562	74.1
133.06491	5.2
133.10146	28.6
135.08058	9.5
135.11728	11.8
137.09637	4.5
141.07007	10.0
141.73891	3.3
142.07776	4.9
143.08571	28.5
145.06461	4.6
145.10107	46.2
147.11713	12.7
149.09641	8.9
149.13275	3.4
155.08537	15.8
157.10110	20.0
159.11650	23.9
161.09677	5.9
161.13295	5.7
167.08545	3.7
169.10095	17.2
171.08223	5.6
171.11734	15.7
173.09700	3.8
173.13300	12.8
175.11235	5.2
177.12817	4.1
181.10109	10.5
183.11700	14.2
185.13263	8.9
187.11198	5.5
187.14877	6.4
195.11717	10.6
197.13271	12.8
199.14861	5.0
201.12752	3.9
201.16447	5.5
207.11713	3.7
209.13359	6.6
211.14841	6.1
213.12721	4.4
215.14424	5.2
219.13808	7.2
223.14929	4.8
225.16429	7.9
227.14267	4.5
233.15388	6.2
235.16942	5.5
237.16745	3.8
241.15955	5.2
247.17007	7.4
257.18945	4.3
259.16882	6.9
261.18417	6.0
273.18478	6.7
303.90970	3.6
309.22165	4.8
311.19940	2.8
325.25238	13.8
329.21063	4.5
335.23758	13.7
343.26288	16.8
353.24716	53.0
357.27606	4.7
371.25793	52.4
385.27640	5.2
389.26819	77.6
403.28485	39.5
421.34592	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	421.2582
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03945	7.8
55.01864	11.0
55.05514	35.7
55.37853	3.4
57.03433	15.9
57.07067	6.1
58.89237	3.2
59.18845	3.5
67.05505	100.0
69.03423	16.0
69.07065	24.8
71.04984	8.7
71.59020	3.8
73.02907	6.8
79.05493	63.2
80.03896	4.0
81.03417	39.1
81.07056	71.5
81.70776	3.9
83.04990	11.6
83.08627	17.6
85.02924	14.9
85.06556	4.3
91.05486	96.6
93.07043	70.3
95.04970	59.9
95.08607	50.3
97.02898	10.6
97.06538	10.0
97.10171	12.7
99.04456	6.1
99.08110	5.8
103.03995	3.7
103.05496	4.7
105.07033	86.9
107.04958	19.4
107.08579	33.6
109.02879	4.8
109.06522	10.4
109.10149	33.6
111.04452	7.6
111.08102	6.7
117.07014	36.5
119.04931	4.1
119.08582	54.8
121.06484	21.3
121.10147	29.5
123.08071	7.0
123.11666	3.8
125.09678	7.3
128.06238	8.7
129.06993	31.9
131.08557	48.6
133.06509	11.0
133.10118	44.8
135.04439	3.9
135.08057	12.4
135.11728	19.0
137.09644	9.4
141.07010	10.0
142.07761	8.5
143.08548	29.7
145.06482	9.8
145.10118	41.7
147.08035	14.1
147.11665	31.0
149.09622	10.3
149.13300	14.7
152.33435	3.3
155.08568	11.9
157.06465	3.8
157.10138	26.9
159.08069	6.2
159.11671	46.1
161.09654	14.1
161.13226	20.0
163.11232	8.5
163.14777	6.3
169.10129	16.6
171.11713	23.1
173.09569	4.4
173.11832	6.1
173.13190	18.5
175.11267	12.3
175.14824	11.9
177.12712	4.3
181.10144	7.0
183.11722	13.2
185.09601	7.4
185.13309	19.8
187.11070	5.4
187.14854	5.9
189.11194	8.8
189.12737	9.0
193.12289	8.5
195.11742	7.2
197.13284	9.5
199.11168	8.3
199.14787	7.4
201.12701	8.8
203.10780	5.9
203.14417	4.7
205.12218	5.3
207.13901	4.7
209.13225	7.0
211.11246	4.6
211.14828	4.2
213.16432	4.5
215.14334	4.7
231.13879	7.8
231.21188	4.6
241.19394	7.7
257.19028	14.1
259.20605	29.9
266.99789	17.1
271.20657	10.1
273.22290	6.3
275.20026	12.9
283.20596	5.8
289.21661	6.9
296.96313	3.7
301.21573	28.4
311.20108	12.8
313.21594	7.6
329.21158	56.7
339.23056	5.3
347.22165	9.7
349.21683	6.2
367.22702	24.1
385.23767	31.8
403.24777	60.0
421.25754	77.2
422.07031	4.6
422.26144	4.3
439.10568	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.134
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.12648	1.6
54.94735	1.5
56.96519	1.6
69.03421	6.0
71.25142	4.2
72.68631	1.4
81.04525	4.8
85.02898	5.2
87.04473	2.5
95.06098	3.5
97.02862	2.0
99.04397	1.6
108.05472	1.8
109.02888	3.0
123.04446	4.9
125.07106	6.7
125.64394	1.5
127.03911	100.0
128.04251	2.3
130.05006	1.8
135.04420	3.4
143.08167	3.6
145.04900	1.7
147.04327	2.2
163.03903	12.0
173.13022	1.8
174.64340	1.5
177.00720	1.7
184.31590	1.7
185.61774	1.7
241.15460	3.9
259.16534	18.8
271.06143	2.5
359.11868	1.9
421.21637	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01858	9.8
55.05269	2.3
55.05510	29.2
57.03436	14.4
57.07079	2.7
59.04982	2.5
61.02922	2.9
65.03927	4.1
67.05504	80.9
69.03414	10.2
69.07059	18.7
69.95254	13.0
71.04983	8.2
78.13415	2.2
79.05494	46.3
81.03423	35.9
81.07055	48.0
83.04978	8.4
83.08621	16.8
83.89156	2.4
85.02925	5.5
85.06528	6.1
91.05479	58.6
91.77906	2.2
93.07047	41.0
95.04971	73.8
95.08605	35.4
97.02874	5.2
97.06504	6.7
97.10175	18.4
98.20833	3.1
105.03400	3.1
105.07030	32.4
107.04955	30.4
107.08576	19.0
109.02878	3.4
109.06496	9.1
109.10154	45.6
111.08080	7.4
117.07021	19.4
119.04956	5.0
119.08575	31.2
121.06487	27.3
121.10143	14.6
123.08066	10.3
123.11714	3.0
125.09617	8.8
127.03927	6.6
128.06200	5.3
129.07011	19.1
131.04906	4.4
131.08563	22.8
133.06471	7.3
133.10092	14.9
135.04340	3.0
135.08049	9.8
135.11659	4.8
137.05968	3.6
137.09572	10.4
139.07578	2.2
139.11162	5.4
142.07780	2.8
143.08559	10.5
145.06476	7.8
145.10153	16.4
147.08040	10.9
147.11693	6.5
149.05923	2.3
149.09586	6.6
153.09129	2.7
155.08548	6.4
157.10095	12.9
159.08060	3.6
159.11687	11.7
161.09605	8.0
161.13206	3.2
163.11162	8.8
169.10146	5.5
171.08014	4.8
171.11679	3.7
173.11751	10.6
173.13197	3.8
175.11131	12.0
177.12770	3.8
181.10106	4.2
183.08147	3.1
183.11725	3.3
185.09660	5.3
185.13342	3.5
187.11148	3.9
189.09125	10.5
189.11182	9.7
189.12718	3.2
193.12267	14.9
195.11705	3.9
199.11143	6.4
201.12767	4.7
203.10652	12.2
203.12749	7.8
203.14445	3.2
205.12363	6.0
207.13911	3.2
213.12811	3.0
217.12207	2.9
219.13730	5.6
223.13292	5.4
231.13815	4.8
245.15335	3.9
249.14958	10.9
261.14844	2.3
263.16666	2.5
287.16797	3.6
301.21637	8.3
311.20081	14.5
319.22711	4.5
329.21085	100.0
330.21561	3.2
340.15259	6.8
347.22226	12.6
367.22504	2.9
375.25330	2.9
385.23743	4.3
403.24796	43.2
404.24948	3.0
421.20395	3.3
421.26132	64.7
422.26276	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59325	2.8
55.01867	3.0
55.05499	5.0
56.96565	3.1
61.86039	2.4
67.05496	10.7
68.86948	2.5
69.03420	6.2
69.07063	3.5
71.59071	3.8
79.05485	10.9
81.03412	6.4
81.06583	5.7
81.07055	100.0
83.08568	3.2
85.02916	8.9
87.00800	3.1
91.05486	4.4
93.07030	8.6
95.04979	3.5
95.08594	21.7
97.02894	10.4
97.10133	3.1
105.01888	4.0
105.07034	4.7
107.08615	5.6
109.02862	4.8
109.06471	3.3
109.10131	5.3
115.44358	2.5
119.08617	4.5
121.06570	3.4
127.03926	9.7
137.13242	15.0
145.04961	3.9
158.93338	2.6
192.07634	3.3
233.67671	3.0
420.27615	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	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	24.5
62.01909	13.2
69.03432	75.4
69.66683	68.6
70.06590	17.6
73.45415	9.3
85.02912	74.4
87.04460	58.9
91.05479	85.4
95.04974	17.3
97.02899	82.4
98.64613	9.4
107.04964	15.4
115.03931	100.0
123.04420	55.1
127.03944	16.5
127.95643	10.0
133.04991	85.8
135.04439	28.2
137.05989	15.5
139.03903	20.7
143.54973	9.3
145.04936	10.5
145.06508	20.8
149.06087	9.5
150.07626	15.7
163.03856	10.9
167.07010	22.7
175.03859	11.9
183.06554	13.8
193.05067	10.8
205.08635	14.4
217.08557	23.3
223.09653	18.5
250.05586	10.7
312.73743	11.0
371.14883	15.0
376.11407	10.1
376.16248	15.9
376.74789	11.3
421.20551	15.1
434.72168	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	419.3511
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
52.57601	1.0
55.05499	3.9
57.07069	2.7
63.84354	1.0
67.05495	1.8
69.03421	3.1
69.07075	6.6
70.07393	1.3
70.66267	4.2
71.01357	1.1
71.08621	2.4
79.05479	4.5
81.07053	12.2
83.08588	3.3
91.05453	1.6
95.08603	5.3
97.02886	1.9
97.10195	1.5
103.34175	1.2
107.04957	2.3
108.05721	3.2
109.06541	9.6
109.10159	3.0
110.10458	1.7
121.06501	9.7
123.04425	2.5
123.11649	1.6
134.19238	0.9
135.08015	1.8
136.05183	10.5
137.05978	100.0
138.06288	14.0
139.07088	3.7
149.02464	1.4
149.09621	6.6
150.06752	3.6
150.09860	1.2
151.07301	1.7
153.05458	2.7
154.05838	3.0
155.05927	1.5
155.99261	1.2
159.08087	2.1
161.05943	1.3
162.06580	1.3
163.07552	19.9
164.07866	1.8
176.08189	1.3
177.09097	64.9
178.09435	15.1
184.82437	1.1
191.10684	22.6
192.11125	1.5
196.12500	1.1
217.04678	1.1
293.63589	1.3
379.83731	1.1
401.33618	5.3
406.79178	1.1
419.34729	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.5
54.27452	5.6
55.01881	8.3
55.05509	55.0
67.05508	85.6
69.07067	43.4
69.86717	9.5
69.87128	31.0
71.04973	6.8
74.62296	6.2
79.05495	79.7
81.07062	93.2
83.08627	44.3
85.06516	8.0
91.05486	100.0
93.07043	66.1
95.04954	32.2
95.08602	47.4
96.53525	5.3
97.06502	18.9
97.10171	14.0
98.21509	9.3
105.04507	6.6
105.07041	73.6
107.04934	25.4
107.08589	46.5
109.06503	14.2
109.10160	24.6
111.08073	9.8
117.07011	66.7
119.08588	39.9
121.06476	18.6
121.10126	22.0
123.08077	5.8
125.09593	7.1
128.06213	22.0
129.07002	68.6
131.08575	94.2
133.06512	8.5
133.10146	31.8
135.08037	14.9
135.11673	15.0
139.11186	7.0
141.07007	19.2
143.08542	64.1
145.06482	13.9
145.10114	32.9
147.08020	9.1
147.11670	16.4
149.09651	13.1
151.11137	6.9
152.11237	6.7
155.08553	36.1
157.10114	24.8
159.08080	7.2
159.11679	18.2
161.09523	9.0
166.07771	6.9
167.08522	11.4
169.10120	24.7
171.08031	8.1
171.11725	18.2
173.13257	10.1
175.11169	11.4
181.10153	12.8
183.11809	13.5
185.13303	12.0
193.10393	6.1
195.11674	21.1
197.13257	10.5
209.13228	9.9
213.12747	6.9
223.14932	12.0
235.14719	7.8
239.14316	10.5
241.15948	8.7
247.16870	11.5
253.15834	8.1
257.15280	12.5
271.16962	8.9
323.23492	10.0
333.21979	18.8
341.24698	10.2
351.23126	53.7
369.24316	74.5
387.25125	11.8
401.26822	56.8
419.27899	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	419.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01871	4.9
55.05263	4.2
55.05509	55.4
57.03434	6.7
57.41685	2.6
60.49448	2.7
65.03928	5.8
67.05505	86.6
69.07069	42.9
70.19365	15.3
71.04981	6.7
73.06584	3.1
77.03934	3.2
77.12766	2.8
79.05489	83.9
81.03414	8.3
81.06583	5.2
81.07053	93.5
83.04982	7.3
83.08614	45.0
85.02901	3.9
85.06522	6.8
91.05480	94.0
93.07043	68.1
95.04954	16.3
95.08603	70.3
97.06525	14.7
97.10172	14.3
98.21371	3.3
103.05442	6.7
105.07032	82.8
107.04941	9.5
107.08578	28.8
109.06521	9.6
109.10148	18.2
111.08040	9.1
115.05455	12.0
115.07484	3.7
116.06230	3.9
117.07011	61.6
119.08582	40.5
121.06502	9.8
121.10134	26.1
121.37260	2.6
123.08058	6.8
123.11740	4.5
125.09612	7.2
128.06183	20.3
129.07004	71.0
130.07762	4.9
131.04961	3.0
131.08565	100.0
133.06474	13.2
133.10120	32.8
135.08043	6.6
135.11702	16.5
137.09570	4.2
139.07516	4.0
139.11214	13.8
141.06979	25.6
142.07744	4.0
143.08563	53.4
145.06458	11.7
145.10123	34.1
147.08014	11.7
147.11685	9.3
149.09576	14.4
149.13205	3.7
153.06941	6.9
155.08569	42.4
155.10571	3.3
157.06517	3.1
157.10126	26.1
159.08049	10.7
159.10341	3.9
159.11629	14.0
161.09593	6.3
163.11131	7.9
165.06975	6.5
166.07774	5.7
167.08546	16.2
169.10146	24.8
171.08099	5.6
171.11708	16.2
173.09590	7.0
173.13269	8.7
175.09708	6.5
175.11220	11.0
177.12769	8.0
179.08524	8.7
179.10706	3.8
181.10127	19.9
183.11743	13.6
185.09615	4.6
185.13243	12.1
187.11232	6.5
187.14795	4.5
189.12830	4.5
190.60432	3.1
193.10132	9.6
195.11652	17.9
197.13239	11.6
199.11130	6.3
199.14812	5.4
201.12787	4.8
207.11656	7.0
207.13664	3.7
209.13219	11.1
211.11154	5.0
211.14789	8.8
213.12662	6.7
213.16307	6.7
217.14215	4.2
221.13330	21.2
223.14847	21.4
225.12740	4.0
225.16336	5.7
227.14384	3.7
229.15744	4.7
233.13235	3.1
233.15445	10.3
235.14799	9.1
239.14333	8.7
241.15918	9.2
245.15306	5.6
249.16341	5.4
253.15842	6.2
257.15289	8.1
259.17047	3.9
261.18359	4.5
269.15274	4.3
271.16840	8.7
285.18433	4.8
289.18024	4.0
305.22549	4.7
323.23529	8.3
333.22125	14.9
341.24985	13.8
351.23221	45.6
355.26282	4.4
369.24310	30.4
373.27475	4.2
383.25412	5.1
387.25342	18.6
401.26785	22.8
419.27917	15.6
419.33011	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	419.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.03422	2.2
59.04993	2.1
61.02917	3.4
69.03423	5.3
71.04981	4.3
71.57868	1.8
72.08151	1.2
73.02901	1.1
79.05461	1.2
81.03428	2.0
81.04538	50.6
81.07052	9.8
83.04968	1.1
83.06081	1.3
84.08146	1.3
85.02899	6.9
86.09719	2.0
92.16956	1.1
95.06071	3.9
97.02868	3.7
99.05586	1.4
104.76640	1.1
106.73883	1.0
108.08112	1.3
110.03738	1.1
111.05546	8.1
116.98632	1.4
120.47476	1.1
123.05525	8.1
124.03954	3.7
127.04034	2.6
127.05032	40.8
137.05904	1.3
137.10745	3.7
138.05513	2.6
139.03867	1.2
141.06577	9.8
149.02324	2.0
153.06668	1.1
153.10191	1.1
163.03908	2.8
163.12283	3.8
171.06572	2.4
179.11786	5.4
207.11290	3.6
209.12828	7.0
211.14430	5.2
221.12918	1.6
223.05989	1.2
224.06479	1.1
225.12331	9.9
239.13904	34.4
249.01056	1.0
257.14960	100.0
258.07452	1.3
258.15405	2.1
370.70963	1.0
401.19272	2.5
419.15121	2.6
419.20160	9.4
420.12573	1.5
432.24228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
53.03939	8.6
55.01875	35.2
55.05494	8.5
57.07055	4.3
59.93012	4.2
63.71611	4.1
65.03938	10.6
67.05484	15.7
69.03414	8.1
70.06593	4.7
70.62500	7.4
70.62878	9.6
71.04988	4.7
79.05476	18.5
81.03412	12.9
81.07034	9.9
83.08620	5.2
85.02901	18.9
91.05467	16.4
93.07024	13.6
95.04945	15.1
95.08596	8.4
97.02872	11.5
97.06550	5.6
100.11232	10.0
103.05448	15.0
105.07041	26.0
107.04964	25.5
107.08562	9.6
109.02876	5.8
109.06585	6.3
110.03673	6.0
111.04453	5.1
114.09156	6.4
115.05434	8.7
115.26263	6.0
117.06994	13.1
119.04969	6.0
121.06449	7.4
123.04421	18.1
125.05990	7.8
127.03902	8.0
129.07013	8.0
131.04897	13.7
131.08539	11.7
133.02867	7.2
133.06520	25.8
135.04382	4.2
135.11667	7.6
136.07651	4.4
137.05962	7.6
144.05766	9.7
145.06451	8.2
148.05197	6.3
149.05968	12.3
153.12698	7.3
156.05693	5.2
159.04395	4.9
159.08037	12.3
161.05956	15.6
162.06371	5.1
163.07523	15.7
167.07056	100.0
168.07416	16.2
171.06546	6.9
173.05963	18.0
177.05481	27.2
181.04948	74.1
181.08369	8.4
182.05336	10.7
182.09517	5.4
183.06552	10.6
187.07552	13.4
191.07011	45.5
193.04933	8.4
193.08517	11.9
205.08574	24.7
208.06918	4.9
209.08018	36.3
210.08847	5.2
217.08630	8.5
219.10060	7.2
221.08060	5.1
225.06265	5.8
235.09612	8.0
237.02782	6.8
243.07455	15.0
247.07367	6.5
247.09673	10.8
249.11293	20.9
264.07764	6.0
279.10168	5.8
281.08209	5.1
282.08728	4.9
288.47079	5.2
291.10284	5.9
307.09689	5.4
315.08621	18.3
330.10818	10.9
359.27759	6.4
369.13162	14.9
383.14911	6.2
389.15479	6.5
401.15845	16.5
419.12091	9.9
419.17349	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	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.6
55.01872	25.4
55.05520	4.1
55.42237	2.8
56.05028	7.9
57.03424	3.6
57.12555	3.0
65.03953	5.2
67.05502	9.9
69.03414	7.9
70.06591	4.0
77.03949	3.0
79.05488	15.5
79.25091	3.2
81.03394	7.8
81.07061	10.5
83.04967	4.0
83.89490	3.3
85.02917	11.3
85.06519	4.2
86.09702	5.7
91.05495	13.3
93.07037	6.9
94.07208	3.5
95.04973	12.2
95.08625	5.8
98.06050	10.2
98.97562	3.3
99.06395	3.8
103.05473	10.7
105.07057	12.0
107.04948	23.3
107.08606	3.8
109.02892	4.8
109.06516	4.6
110.03660	4.4
111.04480	4.1
115.05478	3.9
117.07013	4.9
119.04963	3.2
119.08569	4.2
121.06533	7.6
121.22922	3.1
123.04440	25.2
123.08099	4.5
124.05231	5.8
125.06007	8.1
127.03954	4.5
129.07030	9.8
131.04942	9.3
131.08604	12.2
133.06512	12.4
137.06001	6.0
139.03944	4.0
140.10797	3.2
141.06982	4.0
144.05701	8.7
145.06517	6.7
145.10153	4.2
149.05998	8.9
149.09598	4.2
152.04640	4.1
153.05489	4.8
153.12769	3.8
155.07085	4.0
156.05634	3.9
157.06570	4.5
157.09991	3.3
158.81154	3.1
159.04433	6.4
159.08090	20.8
161.05984	9.3
163.03957	3.7
163.07552	6.8
167.07043	100.0
168.07445	5.7
171.06543	5.9
171.07935	3.5
173.05986	10.2
175.07507	4.8
177.05461	18.1
179.07059	3.4
181.04996	45.4
181.06508	6.6
181.08554	3.4
182.05356	3.7
182.32703	3.3
183.06601	16.1
183.07948	3.6
187.07635	16.8
187.09154	3.5
189.09093	3.6
190.05348	10.7
191.05600	4.7
191.07072	29.2
193.08629	7.5
195.08118	4.4
199.07463	6.2
203.07101	4.2
204.07735	4.1
205.06784	3.7
205.08621	12.6
209.08047	26.7
217.08554	11.3
218.07294	4.7
219.08118	8.4
219.10199	17.9
221.07942	5.6
231.07980	3.3
231.10201	5.5
233.05997	5.1
235.07565	8.0
236.07942	3.2
247.07472	6.7
247.09641	7.4
248.08313	7.2
249.09032	4.6
249.11269	47.7
251.06953	4.4
262.06094	3.3
263.07159	7.8
264.07739	9.0
265.08472	7.3
269.08099	13.0
270.08896	3.3
271.21695	4.0
277.08725	7.7
279.10187	9.5
291.10245	5.7
293.08093	6.4
295.09619	6.2
305.08032	6.3
306.08554	4.9
307.09702	12.1
309.11249	4.6
315.08594	10.1
323.09116	4.3
325.07053	5.2
330.10989	17.3
337.10849	3.9
339.12277	3.9
351.12506	6.7
354.11218	3.6
354.40265	3.4
355.11884	4.5
369.13339	33.5
383.15143	4.9
389.15924	13.7
401.11142	5.0
401.15881	37.2
419.12961	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	419.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66569	0.8
57.02218	1.1
63.72171	0.9
69.81602	4.8
76.49982	0.9
77.01516	0.9
79.15813	1.0
94.93016	14.0
98.20840	1.9
99.34936	1.1
112.90068	0.9
120.94543	2.2
123.21030	0.9
132.01242	0.9
136.94022	100.0
148.94022	36.3
166.95088	63.3
178.95111	2.9
196.96140	19.5
208.96185	3.3
220.96082	1.7
238.97218	2.7
256.98282	9.4
275.73563	0.9
419.03415	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	418.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01861	1.4
57.03447	1.1
61.02916	1.7
64.48844	1.0
69.03410	3.7
70.74905	1.9
70.75280	2.0
73.02912	1.4
77.91255	1.0
81.03410	4.5
81.07060	0.9
84.75034	0.9
85.02908	13.6
85.03749	0.9
87.00829	1.4
89.06032	67.8
95.04989	1.5
97.02889	4.6
99.04449	1.1
105.01869	1.5
107.04956	2.5
107.07059	4.7
108.08134	1.0
109.02870	3.2
124.07614	1.5
127.03914	5.1
130.08633	1.3
133.08601	41.3
135.04382	1.0
139.03894	2.9
139.10693	0.9
145.04918	1.9
151.09686	5.6
152.07106	1.0
159.02843	1.9
163.03926	4.2
170.08125	1.1
171.06538	1.8
177.11246	7.7
181.04906	1.1
195.06494	2.2
195.12253	3.6
213.07562	1.4
220.09639	1.3
239.14890	100.0
240.15237	3.2
249.05576	1.0
279.08655	1.1
306.67776	1.1
418.17050	2.5
419.15372	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60884	16.6
52.25901	18.8
69.03423	25.3
70.06577	27.9
71.58367	36.4
72.08130	20.0
75.79606	20.4
78.89931	20.6
81.07069	20.0
84.04519	24.2
85.02897	75.5
97.02892	36.1
99.04498	20.0
103.63667	18.9
112.03956	32.2
123.04453	42.4
124.07619	47.3
127.03928	20.8
149.04109	21.9
151.03923	26.8
152.07053	100.0
153.05476	69.0
163.03873	19.9
170.08116	23.4
179.03352	19.5
179.07048	39.4
195.06535	21.9
227.03516	22.1
238.10677	24.9
239.09181	30.1
256.08249	24.2
256.11707	46.8
329.52597	20.3
400.47214	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	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
57.03439	1.1
61.02930	1.0
65.03932	2.2
67.05511	3.6
69.03429	6.9
71.03330	1.7
73.02905	1.5
79.05490	3.9
80.05025	0.6
80.62443	0.7
81.03423	4.2
81.05798	1.2
81.07073	0.7
85.02899	5.1
87.00826	1.3
92.04997	2.1
93.45036	0.6
96.08119	3.2
97.02898	3.9
98.20768	0.6
99.04456	1.7
106.06551	25.3
108.08113	100.0
109.02869	2.8
109.05251	0.9
109.08449	2.5
115.03902	1.0
122.06062	0.8
123.06819	7.3
124.07591	28.5
125.07929	1.3
127.03921	4.5
134.06007	14.1
134.06984	1.0
136.07576	15.7
145.04945	1.4
152.07059	85.8
153.07455	1.5
154.08676	1.2
157.36928	0.7
164.07094	1.1
170.08115	22.1
176.07011	1.0
187.06018	1.6
194.08138	1.8
200.83371	0.7
269.74606	0.7
314.12308	2.6
332.13419	5.6
338.12250	2.1
356.13397	9.8
374.14474	12.5
382.11353	0.9
400.12408	12.3
418.13422	35.8
419.13959	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	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01858	1.0
57.03424	1.2
61.02916	0.8
61.90836	0.6
65.03931	2.7
67.05511	3.9
69.03426	6.2
69.55123	5.2
70.06595	1.0
73.02917	1.3
76.07647	1.8
77.14535	0.6
79.05487	4.4
80.04990	0.7
81.03422	6.4
81.05807	1.8
81.07047	1.6
83.04951	0.7
85.02917	5.7
87.00828	2.6
91.05452	0.6
92.04990	3.7
93.05828	0.9
95.04967	1.1
96.08118	3.4
97.02888	4.0
99.04465	1.8
106.06556	24.6
108.08115	100.0
109.02873	4.1
109.08451	1.1
115.03922	0.9
123.06811	6.7
124.07591	28.3
127.03932	5.4
134.06009	15.2
136.07570	19.3
136.94044	2.0
145.04958	1.2
152.07063	81.7
153.07458	1.1
154.08635	0.6
164.07034	0.8
164.53610	0.7
166.95045	0.9
170.08119	22.9
176.07050	0.8
187.06042	1.5
194.08134	1.9
251.09213	0.7
251.11842	0.7
257.14981	0.9
314.12512	2.4
332.13290	3.9
338.12393	2.6
356.13397	7.9
357.13892	0.7
374.14450	12.9
382.11462	1.0
400.12378	12.6
418.13449	31.3
419.14246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34224	1.0
55.01859	2.2
58.12653	1.4
60.00944	1.1
65.03896	1.1
67.05477	1.9
70.06583	3.6
71.59155	2.6
76.26949	1.2
79.05463	2.4
81.03422	1.8
81.07030	1.9
85.02901	1.7
91.05440	2.3
95.04938	2.0
103.05408	1.9
105.06995	3.3
107.04972	10.7
116.07032	1.6
123.04419	2.3
127.03926	1.8
131.04912	1.7
133.06490	2.9
137.05948	2.2
140.04942	4.9
140.95143	1.4
145.06497	1.5
154.06465	3.2
155.04822	2.6
155.06030	31.4
156.06387	1.4
157.07570	1.8
157.15285	1.5
161.05975	4.6
165.05429	2.4
166.06500	2.0
167.05981	7.6
167.07191	13.1
168.07201	2.6
169.07620	53.2
170.06046	3.8
170.08034	2.5
179.06030	23.1
180.06433	1.7
180.07904	2.9
181.04968	11.4
181.07553	4.2
182.05855	1.4
182.08351	3.4
183.05515	28.1
183.09140	2.9
185.07114	15.3
193.07552	23.1
193.08952	1.4
194.06108	3.1
194.07970	1.3
195.05530	42.1
196.06279	23.1
197.07097	41.9
198.05528	9.7
201.06572	2.7
207.05486	11.1
208.06317	2.4
209.06950	6.4
211.05109	2.8
211.08675	7.5
213.06580	36.2
221.07076	32.3
223.05057	3.3
225.06581	67.3
227.08237	2.0
229.06059	30.0
237.06563	8.2
238.07397	8.4
239.04503	4.0
239.08144	30.9
241.06085	4.7
243.07661	9.9
249.06537	12.9
253.06053	6.3
255.07649	2.7
257.05539	8.1
257.09119	1.4
265.06158	3.7
266.06827	2.2
267.07654	25.1
269.05475	5.0
271.07114	49.1
277.06039	15.7
285.08658	44.0
286.09055	1.5
295.07117	53.3
296.07489	2.0
312.09863	2.1
313.08154	63.8
314.08389	3.2
331.09241	20.6
336.09845	1.5
340.09229	9.2
341.15930	1.6
354.10886	4.8
358.10312	70.2
359.10565	4.0
372.11957	9.0
382.10159	14.7
400.11359	68.8
400.16675	3.1
401.11652	3.8
418.12378	100.0
419.12668	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	417.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.05505	1.4
57.07077	0.5
67.05505	2.5
69.03418	1.8
69.07056	1.8
69.57087	3.1
69.57494	1.0
71.08623	0.5
76.18935	0.4
79.05491	4.6
81.07055	13.9
83.08604	1.3
84.46642	0.4
91.05494	0.9
95.08606	5.1
97.10153	1.6
109.06512	9.9
109.10186	3.1
121.06507	1.7
121.10176	0.7
123.11710	2.0
125.13258	0.6
137.05972	100.0
137.13240	1.1
138.06271	2.3
146.02299	0.6
149.09566	0.8
151.07553	1.4
153.05322	0.6
163.07532	4.8
165.09181	0.8
170.43755	0.4
173.09584	0.5
177.09099	8.2
189.21384	0.4
191.10648	5.4
203.10690	0.5
203.15656	0.5
417.26144	2.3
417.33347	1.3
418.26532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.2
55.05509	83.2
55.38971	3.9
56.63120	3.4
57.03433	3.7
61.99802	3.1
66.79020	3.8
67.05503	45.4
69.07069	18.6
69.53547	34.0
77.80846	3.4
79.05495	53.6
81.03429	3.7
81.07062	56.7
83.04979	6.9
83.08612	33.1
85.06508	3.6
91.05475	24.7
93.07042	24.7
93.49028	3.6
95.04995	9.2
95.08593	16.5
97.10167	85.0
98.98481	3.4
103.05449	17.6
105.03373	5.3
105.07017	23.1
107.04996	4.2
107.08577	42.9
109.06509	7.4
109.10165	17.8
111.08018	5.3
112.99946	3.8
115.05436	6.5
117.07038	31.2
119.08536	16.9
121.10136	12.2
124.27792	4.4
125.09624	75.2
129.07021	23.4
131.04938	8.2
131.08557	23.2
133.06451	8.0
133.10107	12.1
135.08038	14.6
135.11697	5.7
137.05948	7.0
141.06950	11.3
142.07820	3.7
143.08556	13.8
145.06461	12.6
145.10110	10.9
153.09097	14.0
155.01068	5.1
155.08522	8.8
157.10153	6.0
157.12199	7.6
169.10129	5.4
171.11649	8.8
175.14853	5.3
181.10085	3.9
183.11726	8.6
187.14810	13.6
189.11211	14.7
195.11722	7.2
197.13300	22.9
203.12762	36.1
205.10138	4.6
213.12764	10.7
215.14308	100.0
223.11224	6.4
241.12267	8.2
251.14503	3.8
331.20755	4.9
339.23349	5.9
349.21606	22.9
367.22684	73.1
385.23764	28.3
399.25360	26.2
417.25891	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	417.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01614	2.0
55.01863	13.7
55.05511	89.6
55.82203	1.3
56.05855	1.4
57.03431	2.6
59.04999	3.3
65.03944	3.9
67.05505	51.0
69.03442	7.2
69.07067	20.4
69.32944	12.0
69.33347	2.5
79.05494	65.8
81.07058	43.5
83.04979	5.5
83.08615	34.2
83.09116	1.8
83.82651	1.4
85.06533	4.1
91.05474	27.5
93.07034	18.3
95.04955	4.8
95.08614	11.8
97.06536	2.0
97.10166	67.1
101.09612	1.3
103.05468	12.3
105.03403	2.8
105.07031	18.4
107.04939	2.8
107.08595	33.1
109.06519	2.9
109.10152	11.8
111.08080	4.7
114.67538	1.3
115.05452	7.9
116.06226	1.4
117.07012	25.0
119.08581	11.8
121.06520	1.4
121.10071	2.5
121.25238	1.4
123.08060	2.4
125.09628	58.0
126.10134	1.7
128.06236	5.0
129.06989	18.1
131.04912	9.7
131.08577	19.8
133.06508	3.3
133.10080	2.6
135.08041	16.7
135.14684	1.4
137.09637	3.8
141.06982	7.0
142.07802	1.6
143.04921	1.6
143.08553	12.0
143.10678	6.0
145.06480	18.1
145.10098	6.8
147.08028	2.7
149.09641	4.7
153.09094	6.7
155.08577	8.3
157.06464	4.5
157.10114	6.8
159.08084	4.7
159.11746	3.3
165.06918	2.2
167.08533	6.7
168.09344	1.7
169.10150	8.4
171.07973	2.3
171.10181	4.4
171.11699	9.0
173.09648	2.0
173.13235	1.9
181.10074	4.0
183.11702	4.9
185.09622	2.7
185.13263	4.6
187.14807	2.9
189.11220	48.3
193.10262	2.2
195.11671	5.3
197.13214	7.3
203.12833	2.1
205.10173	1.9
209.13219	2.8
211.03459	1.5
211.14851	2.5
213.12767	6.8
215.14305	49.8
221.13394	2.6
223.11142	3.8
225.12671	2.2
237.12714	2.4
239.14030	1.4
241.12244	5.3
243.13722	1.5
245.15422	4.9
247.16995	12.4
251.14336	2.5
253.15759	1.7
255.13713	1.6
257.15393	2.7
269.15353	2.1
273.14807	19.4
285.18396	1.8
291.15869	3.4
321.22134	3.4
331.20410	2.4
339.23206	6.2
349.21674	13.7
353.24744	1.6
359.28766	1.6
367.22662	37.6
368.22894	3.4
371.25790	5.2
381.24265	16.0
385.23859	8.8
399.25327	100.0
400.25482	7.4
417.26294	28.4
418.26358	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	417.2635
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
52.95031	1.4
53.03926	3.1
55.01871	10.1
55.05511	83.5
57.03443	3.2
59.04989	2.8
59.30118	1.2
62.89701	1.3
65.23486	1.2
67.05505	41.3
67.83732	1.3
69.03425	8.1
69.07069	15.1
70.15434	3.6
70.15847	3.8
71.04980	2.3
75.20840	1.3
75.77613	1.4
79.05492	48.4
81.07063	34.6
82.32379	1.3
83.04975	6.6
83.08614	35.7
86.21564	1.5
91.05474	21.3
93.07041	21.1
95.04972	3.7
95.08605	10.1
97.06533	3.1
97.10170	82.2
98.10522	1.7
103.05470	13.4
103.56067	1.6
105.03397	4.1
105.07025	20.1
107.04965	2.4
107.08600	40.6
109.06525	4.1
109.10157	10.0
111.08088	5.8
115.05456	6.8
116.93711	1.4
117.07017	26.9
119.08586	22.5
120.08940	4.5
121.06489	2.7
121.10144	4.0
123.08035	3.2
125.09627	81.9
128.06229	4.4
128.26559	1.7
129.07007	18.1
131.04939	8.0
131.08549	21.7
133.06499	6.9
133.10127	6.5
135.08052	23.9
141.06970	9.8
142.07883	1.5
143.08562	10.9
145.06477	13.6
145.10114	7.5
147.11670	3.6
149.09598	4.9
153.06985	1.6
153.09081	15.8
155.08600	10.5
156.09332	1.9
157.06514	3.2
157.10120	2.8
157.12152	8.0
159.08078	4.2
159.11685	4.0
161.13226	1.9
167.08583	3.7
169.10100	7.0
171.08049	1.5
171.10161	4.4
171.11736	5.6
173.09581	2.1
181.10165	2.6
183.11720	3.3
185.09546	1.7
185.13272	4.8
187.14798	16.2
189.11194	7.5
189.16368	4.0
195.11720	4.8
197.13277	12.3
199.11107	1.9
203.12791	49.7
209.13271	2.1
213.12770	6.3
215.14317	100.0
216.14693	5.7
223.11171	4.0
227.14439	1.8
231.13844	1.9
233.15347	6.7
235.16942	12.1
241.12141	9.1
255.13899	2.1
259.13318	7.3
300.88992	1.6
305.32956	1.6
321.22177	2.0
331.20444	1.7
339.23093	5.5
349.21591	14.1
367.22675	46.9
368.23026	3.1
385.23724	22.9
399.25107	10.5
417.25839	23.1
417.30460	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	417.2634
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
53.03936	3.3
55.01875	16.5
55.05512	100.0
56.34671	3.0
57.03421	4.8
65.03932	5.2
67.05504	50.2
69.03415	7.3
69.07059	22.6
71.04974	3.0
77.77541	2.6
79.05489	69.0
79.36755	3.0
81.07057	49.9
83.04991	4.8
83.08620	40.6
85.06522	5.1
91.05489	30.0
93.07040	31.9
95.04940	6.9
95.08603	19.3
97.06532	2.6
97.10170	77.1
102.44990	2.9
103.05460	14.2
105.03370	5.9
105.07024	27.4
105.95130	2.6
107.04953	3.6
107.08593	43.4
109.06502	9.0
109.10147	16.2
111.08063	4.3
115.05434	10.4
117.07024	33.0
119.08606	14.7
121.06463	4.0
121.10144	4.5
125.09628	74.7
128.06233	5.2
129.07007	27.3
131.04932	9.2
131.08568	23.4
133.06448	7.9
133.10097	6.4
135.08058	18.3
141.06982	10.0
143.04854	4.0
143.08517	14.7
143.10568	3.6
145.06512	21.4
145.10118	11.3
145.40352	3.0
147.08041	4.3
149.09546	5.2
153.09084	12.1
155.08575	11.6
157.06491	7.5
157.10085	8.6
159.08032	7.6
159.11681	5.4
167.07089	4.5
167.08540	7.8
169.10123	9.2
169.12039	2.5
171.10138	7.4
171.11571	6.5
173.13243	4.5
179.08572	3.5
181.10086	3.7
183.11745	4.9
185.13252	5.3
187.14783	10.0
189.11230	33.3
189.12779	4.6
195.11714	6.4
197.13237	13.7
199.14799	2.6
203.12782	15.5
209.13370	4.1
211.14833	6.0
213.12779	6.4
215.12308	3.7
215.14317	64.0
219.11702	3.9
223.11104	2.9
232.82309	2.9
237.12608	4.8
241.12273	5.4
245.15373	7.5
247.16914	12.1
256.29968	3.0
259.13370	5.6
269.15247	2.6
271.16922	3.4
273.14798	14.2
291.15884	3.4
331.20370	5.2
339.23358	8.2
349.21634	23.4
352.40692	3.0
367.22699	52.9
368.22974	3.4
371.25516	3.3
375.19836	7.5
381.24408	16.9
385.23660	19.2
399.25293	70.0
400.25818	5.0
417.26117	55.6
418.26300	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	417.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.3
55.05267	7.4
55.05514	100.0
57.03417	5.7
59.04971	4.8
67.05502	53.0
69.03422	11.2
69.07059	18.1
70.04335	24.8
76.45440	4.6
79.05495	61.6
81.07063	49.5
83.04989	5.4
83.08609	51.3
85.06548	9.0
91.05482	32.9
93.07026	25.4
95.08613	22.4
96.45367	5.0
97.10168	86.2
103.05443	18.6
105.07031	31.3
107.04896	4.2
107.08606	53.0
109.06501	10.3
109.10150	16.8
111.08047	6.8
113.66875	5.0
115.05471	11.1
117.07047	28.4
119.08587	18.3
123.08009	5.7
125.09624	94.0
129.07043	29.4
131.04904	13.3
131.08569	24.3
133.06430	12.3
133.10086	12.0
135.08037	31.7
137.09651	6.2
141.06879	8.0
143.08549	15.8
145.06433	20.1
145.10095	13.3
149.09621	7.8
153.09064	15.4
153.10211	4.4
155.08531	12.6
157.06499	9.2
157.10129	7.5
157.12273	7.8
159.08051	7.6
159.11723	5.1
169.10143	11.1
171.10246	4.4
171.11691	8.7
175.14867	7.2
183.11632	5.2
185.13257	7.7
187.14786	14.1
189.11223	19.4
195.11642	5.2
197.13254	18.5
201.12903	5.5
203.12762	44.7
213.12607	5.1
215.14317	96.5
217.16008	6.4
221.13263	6.6
225.12671	6.6
231.99640	5.5
233.15285	5.1
241.12137	11.8
259.13287	5.7
273.14804	6.9
339.23169	8.0
349.21552	15.0
367.22665	67.1
385.23792	27.3
399.25009	39.0
408.06573	5.0
417.26193	47.0
417.31046	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	417.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01861	3.0
55.05511	11.7
57.03436	14.2
57.07097	2.7
61.02927	28.2
65.03931	4.6
67.05502	43.0
69.03432	19.6
69.07072	11.9
69.39241	18.2
69.39647	4.4
70.83183	1.9
71.01360	4.0
71.04991	4.9
73.02917	11.8
78.04729	2.2
79.05495	36.3
81.03419	17.1
81.07060	24.0
83.04972	9.2
83.08636	2.3
85.02906	28.9
85.06546	3.9
91.03952	12.7
91.05471	19.4
93.07037	28.1
95.04968	6.3
95.08603	6.0
95.34203	1.8
97.02885	26.8
97.06539	11.7
97.10168	6.6
99.04484	3.9
101.02383	5.5
103.03969	2.6
103.05453	4.3
105.07016	8.9
106.04243	2.2
107.04969	6.7
107.08600	23.3
109.02854	6.8
109.06523	2.0
109.10145	11.0
111.04420	2.5
115.05438	5.3
117.07030	9.1
119.08595	9.7
121.10170	8.6
123.04421	10.1
124.05217	2.8
127.03933	12.0
129.05489	3.1
130.06502	5.5
133.06516	2.9
133.10112	5.4
133.22191	1.8
135.11688	53.8
145.06487	7.4
145.10123	11.1
148.05060	2.1
152.04721	2.5
155.06036	2.6
163.07639	2.2
163.11172	9.8
167.07043	100.0
171.06595	4.6
173.05968	13.9
173.11841	2.2
174.53520	2.0
181.04958	36.2
181.12244	18.8
191.07072	5.8
199.13197	2.6
205.08586	2.9
229.14307	3.3
233.08121	6.4
233.13393	2.3
255.15916	39.3
387.14417	9.9
417.15369	20.5
417.26151	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	417.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01866	4.3
55.05511	15.0
55.35944	2.0
57.03438	17.5
61.02930	31.1
65.03926	2.9
67.05165	4.1
67.05503	43.3
69.03410	17.8
69.07071	11.3
71.01335	2.4
71.04978	5.8
71.58883	4.0
72.06670	2.5
73.02908	11.1
78.04683	2.6
79.05062	3.2
79.05491	38.9
81.03416	21.6
81.07058	20.0
83.04964	12.3
83.08607	5.4
85.02897	26.9
89.59124	2.4
91.03955	16.7
91.05473	18.6
93.07040	35.2
95.04975	9.3
95.08594	11.6
97.02875	21.2
97.06539	13.3
97.10149	9.0
99.04444	5.4
99.08070	4.1
101.02367	4.9
105.07028	9.1
107.04949	8.2
107.08578	24.0
109.02884	9.7
109.10155	14.9
111.04446	2.7
115.03958	2.8
115.05456	3.6
117.07025	12.0
119.08573	8.7
120.67715	2.4
121.06488	4.5
121.10139	10.3
123.04407	7.2
123.08050	2.9
125.09579	4.4
127.03889	11.5
130.06516	3.7
131.04941	3.9
131.08585	2.6
133.10080	5.8
135.08011	3.9
135.11681	57.0
137.05940	4.6
145.04941	3.4
145.06474	11.8
145.10110	8.4
147.04390	2.5
147.08037	2.7
148.05124	2.6
163.11168	11.0
167.07037	100.0
173.05978	14.6
173.11864	2.7
178.12320	4.0
181.04927	38.8
181.12274	19.3
182.05330	2.7
183.06433	2.4
191.07027	6.5
205.08524	4.0
219.10196	2.4
229.14420	9.8
233.08110	9.0
235.09709	7.0
237.74898	2.5
255.15918	37.6
297.17270	2.9
387.14371	12.4
399.14551	3.2
417.15604	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	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
52.68127	0.3
53.03923	0.4
55.01852	0.4
57.03436	0.4
58.99596	0.4
65.03932	1.0
66.04715	0.4
67.05482	1.3
69.03407	1.3
70.94664	0.7
71.04969	0.3
72.08130	0.4
78.04712	3.0
79.05482	2.0
81.03405	1.4
81.07040	0.9
82.04205	0.4
83.04960	1.2
85.02917	1.7
86.09689	1.2
87.00824	0.3
91.05476	1.8
93.03388	0.4
93.07043	0.5
95.04969	1.9
95.08596	0.7
97.02876	0.7
97.06533	0.8
103.05460	1.2
105.01824	0.5
105.07060	0.6
106.04178	1.7
107.04938	2.2
107.08555	0.5
109.02866	1.2
109.10139	0.6
110.03645	0.7
111.04475	0.6
111.47302	0.3
115.05437	3.5
117.07004	5.5
119.04983	0.5
119.08588	0.7
121.02886	0.7
121.10138	0.6
123.04413	8.8
124.05214	3.2
125.05964	0.6
127.03901	0.6
127.05439	1.1
129.06966	0.3
130.04124	0.3
134.03619	0.7
135.04367	0.7
137.02441	0.4
137.05980	0.9
138.03105	0.4
142.02634	0.5
144.05641	0.5
145.06471	10.4
146.05142	0.3
147.04414	1.0
147.08092	0.3
150.09151	0.4
151.03870	1.6
152.04703	2.3
155.04913	0.5
155.06003	2.6
159.07924	0.3
161.05940	0.5
163.03955	0.5
163.11162	0.3
165.01836	0.9
165.05493	0.3
167.07030	100.0
168.07341	1.7
171.06557	1.5
173.05972	15.9
175.07581	0.6
177.01767	0.6
181.04947	19.8
182.05246	0.5
183.02945	1.6
183.06482	0.4
191.03355	1.1
191.06914	0.5
205.08572	4.0
207.10170	0.5
218.05725	0.4
219.02875	1.9
224.21027	0.3
231.02899	0.9
233.08054	8.3
235.07460	0.5
235.09622	4.1
255.06444	0.8
261.03970	0.7
266.10156	0.4
285.07242	0.6
293.91718	0.3
297.07602	0.7
308.09866	0.5
339.08386	0.9
351.08377	0.5
381.09460	0.5
387.14380	13.6
399.10098	0.4
417.15427	23.8
418.15622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.118
Annotation	Daidzin
Peak:m/z	Relative Intensity
55.05484	0.3
57.03425	0.2
65.03894	0.3
67.05513	0.2
68.99783	1.2
69.03413	0.5
69.07052	0.2
69.37742	1.7
70.06575	0.3
71.04962	0.2
72.08150	0.4
79.05464	0.2
81.03403	0.5
81.07057	0.3
83.04963	0.2
85.02900	0.6
86.09708	0.4
91.05480	0.6
93.07049	0.3
95.01321	0.3
95.08579	0.2
97.02871	0.2
97.06507	0.2
98.21543	0.4
99.41335	0.2
105.03381	0.3
105.06993	0.3
107.04952	0.2
109.02876	0.4
111.04427	0.6
119.04945	2.0
121.02856	0.6
121.10129	0.2
123.04429	0.4
123.11660	0.2
125.09638	0.2
127.03917	0.5
133.10095	0.2
137.02336	3.8
141.06934	0.2
145.02841	2.6
147.04407	0.6
151.11143	0.2
155.03380	1.4
157.06566	0.2
159.11214	0.2
163.03987	0.3
164.71967	0.2
165.01804	0.4
167.07037	0.5
169.06465	0.3
169.09912	0.2
173.13158	0.2
177.01839	0.3
180.05533	0.2
181.06511	0.4
183.02876	0.3
187.07491	0.3
191.03366	0.5
196.24069	0.2
199.07611	0.3
213.05621	0.2
219.02948	1.5
227.07080	0.6
255.06514	100.0
256.06833	2.5
261.04050	0.4
285.07629	0.3
297.07648	0.4
339.08572	0.5
351.08655	0.2
373.14023	0.2
399.10825	0.2
417.16916	0.2
417.21841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86189	0.6
53.03938	0.9
56.96550	1.4
57.29299	0.6
66.94328	0.7
69.03407	0.7
70.06599	1.5
71.19778	0.6
71.58203	1.0
84.08157	1.0
85.02882	1.2
90.47695	0.6
91.05457	3.1
93.07051	5.3
95.04955	1.8
97.02932	1.3
98.06064	1.7
98.97607	1.3
103.05469	3.8
107.04955	1.3
116.04894	0.6
116.06363	0.7
116.07101	10.1
117.07414	1.0
117.91088	0.6
119.04948	0.6
121.06503	100.0
122.06853	2.4
128.98558	1.0
136.07603	0.7
137.07938	0.8
138.05469	1.2
138.09135	26.4
146.99687	1.0
152.06993	0.8
158.03845	0.6
163.03889	1.2
163.73219	0.6
167.54358	0.8
179.34932	0.7
191.02310	0.7
206.08080	1.0
216.07101	1.0
219.01747	1.0
237.02924	1.2
245.06688	1.6
261.56076	0.8
297.09647	1.3
297.58945	0.9
316.07089	1.4
334.08109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3205
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
53.39183	0.5
55.05497	2.1
55.28017	0.5
57.07064	1.9
67.05505	7.1
69.03445	0.7
69.07071	3.5
70.46639	1.4
70.47031	1.2
71.04972	0.8
79.05500	3.9
81.07053	8.8
83.08600	1.4
85.06536	10.9
91.05469	4.8
93.07047	9.0
95.04980	0.9
95.08600	8.3
97.06527	0.9
98.20798	0.6
103.05492	0.6
105.07033	10.4
107.08593	10.3
109.06523	0.5
109.10136	5.9
110.12720	0.5
117.07039	1.1
119.08585	19.5
121.06477	4.3
121.10135	9.6
123.08066	1.8
123.11703	2.8
125.09643	1.2
131.08600	2.7
133.10129	8.7
135.08051	3.6
135.11726	3.8
137.13216	0.7
143.08553	1.1
145.10126	3.8
147.11694	5.3
149.09608	3.8
149.13266	2.3
155.01012	0.6
157.10155	1.2
159.11737	4.6
161.09671	0.8
161.13226	8.4
163.11151	1.0
163.14870	1.5
169.23701	0.6
171.11729	1.3
173.09647	0.7
173.13258	3.0
175.14827	6.5
177.09050	0.8
177.12776	1.5
185.13293	0.8
187.11244	0.7
187.14842	1.8
189.12747	1.0
189.16338	1.1
193.15900	0.7
199.14757	0.6
201.16373	1.1
203.14322	1.2
205.15842	1.4
215.17908	0.8
217.15903	1.3
231.17537	0.8
232.57870	0.6
243.17441	1.5
261.18427	2.4
271.20602	0.7
275.20071	6.2
289.21765	0.6
319.20905	0.7
372.20386	0.7
397.31073	1.1
415.32089	100.0
416.32425	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	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58000	9.8
69.54391	70.9
69.54797	23.4
93.13531	9.8
98.21510	12.4
101.18077	11.9
116.95516	9.3
190.31969	9.6
334.49969	11.9
415.09991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
50.63971	1.6
54.76245	1.4
55.01872	3.0
55.05508	17.6
57.07069	5.1
59.04992	6.8
62.70583	1.4
67.05509	19.8
69.07068	12.4
69.69626	2.2
69.69962	11.2
71.04991	3.7
79.05492	17.9
81.07054	36.7
83.04972	4.6
83.08593	3.8
85.06535	3.5
91.05470	23.1
93.07040	53.5
95.04973	2.3
95.08604	59.8
95.41957	1.6
96.04536	2.6
96.57743	1.4
97.06539	3.6
97.10170	1.8
98.21484	2.7
99.04424	8.8
101.06009	6.3
103.05486	1.6
105.07028	38.9
107.08591	75.1
109.06531	5.0
109.10155	34.8
111.08039	2.8
113.09632	1.6
115.07549	2.4
117.07035	8.0
119.08577	52.0
121.06538	4.1
121.10145	54.7
123.08022	2.0
123.11707	6.9
125.09686	1.7
129.06999	3.1
130.07858	2.2
131.08562	11.1
133.10130	54.1
135.08087	7.3
135.11687	100.0
139.07491	1.9
143.08569	4.6
145.10133	24.9
147.11681	39.5
149.09636	2.4
149.13229	17.8
153.09096	3.4
157.10126	3.8
159.11691	31.1
161.13245	17.9
163.11165	11.8
163.14868	3.9
165.12730	1.9
169.10197	1.7
171.11699	3.1
173.13246	11.8
175.11240	4.5
175.14827	8.9
177.12740	35.3
177.16347	3.7
181.12219	16.2
185.13264	2.5
187.14825	13.6
189.12721	3.1
189.16377	16.0
191.14325	2.9
191.18034	3.0
193.12291	8.6
195.13805	55.4
197.13214	1.7
199.14832	2.7
201.16385	22.4
203.17946	18.5
207.13777	18.9
207.17178	1.7
209.15311	8.4
215.14389	1.6
215.17941	9.1
219.17464	9.5
221.15392	3.0
289.21573	5.2
343.96091	1.6
361.29062	1.6
379.29880	7.8
397.31058	32.5
415.32089	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	414.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
52.92394	0.5
53.03947	0.6
78.03446	1.1
91.05483	0.7
95.04956	1.4
96.04492	100.0
97.04829	0.8
98.20687	0.6
101.08109	0.7
102.16930	0.6
105.07032	0.7
115.05467	1.2
119.04932	1.1
128.06232	2.5
129.07005	6.3
133.06491	0.8
136.07617	1.1
141.06969	2.9
151.55470	0.6
155.04909	0.8
156.05702	1.4
157.06470	0.8
183.04471	1.6
184.05145	1.1
185.05984	9.5
249.09097	1.1
277.08594	6.6
319.13309	5.6
414.17123	2.0
424.47235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.05510	5.1
57.03436	1.9
61.02905	1.7
61.04050	85.9
65.03938	2.2
66.52414	2.0
67.05505	6.5
69.03433	8.3
69.07064	2.6
69.50279	11.2
69.50696	3.1
70.06590	6.4
71.18953	1.8
72.08163	10.5
73.06554	4.8
79.05506	10.1
81.03432	4.6
81.07055	8.6
85.02908	10.1
85.06503	1.8
87.04492	2.8
89.84013	2.2
90.09200	8.0
91.05466	10.6
93.07059	6.3
94.06563	34.9
95.04951	5.9
95.08611	3.7
97.02912	3.6
99.04467	3.0
100.07639	2.4
103.05480	3.4
105.07009	8.9
107.04949	10.5
107.08600	3.9
109.06534	2.5
109.10145	4.2
112.07570	2.8
115.05387	2.8
116.07126	2.8
117.07036	3.1
119.08564	4.5
120.04494	6.0
121.06567	3.1
123.04393	3.9
131.04976	2.1
131.08543	3.0
133.06467	3.2
133.10124	2.7
135.08066	5.4
137.06082	2.5
137.07089	40.1
139.03943	2.1
143.08578	2.3
145.05034	2.0
145.06444	3.4
145.10094	3.4
147.04446	4.0
149.05981	26.3
153.20583	2.0
155.08594	3.1
157.10167	4.0
161.05984	16.4
163.05081	4.5
163.07538	11.1
167.07048	20.6
168.10240	3.3
173.06007	4.1
175.07565	4.5
177.05515	6.2
180.07683	100.0
181.04971	9.9
186.06842	2.6
187.07545	2.3
189.05457	8.2
191.07047	29.0
195.06558	18.7
196.07188	5.7
201.05347	2.0
202.14441	2.2
203.07115	3.4
209.08107	6.1
215.07095	5.1
221.15378	2.9
229.08615	4.8
233.08131	4.7
235.09604	2.8
252.13438	74.8
253.13777	3.3
257.08112	10.3
275.09250	3.7
301.58194	2.1
311.11346	3.2
329.12289	10.2
341.76721	1.9
379.10211	2.5
387.14487	3.0
396.21442	2.2
396.27097	2.2
397.11594	3.8
414.16492	3.5
414.21582	4.1
414.26965	13.5
415.12527	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	414.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.4
56.05032	11.9
60.04537	5.0
65.03933	13.7
67.05504	20.5
68.99796	5.9
69.03423	11.9
70.18523	6.1
70.18924	8.8
74.78141	2.9
76.17107	2.9
79.05482	5.9
83.04985	57.4
84.04504	50.2
85.02911	16.1
89.03899	5.0
91.05487	3.6
93.03421	22.9
93.07047	3.1
95.05001	18.7
97.02837	3.9
97.45831	3.3
98.06049	3.1
102.00023	2.8
102.05537	8.9
103.05450	11.2
103.73158	3.0
105.07023	6.0
107.04949	15.3
111.04449	72.3
115.05447	5.2
117.03389	5.6
120.06600	3.4
120.08078	7.7
121.02837	15.8
121.06499	10.3
123.04435	76.4
124.07608	3.6
129.05481	26.6
130.06491	9.1
131.04900	16.7
133.02876	20.4
133.06490	7.7
134.06009	6.2
135.04420	22.2
136.06226	19.8
136.07582	7.9
137.02319	4.2
137.06615	6.5
138.05568	3.9
139.03900	34.6
143.04884	10.2
145.02805	5.8
146.05971	5.2
147.04480	4.2
147.06596	3.3
148.05130	3.2
148.07620	16.8
149.05983	13.1
150.05475	11.7
151.03929	22.8
152.07063	10.8
153.05499	5.3
157.04991	25.8
158.06049	20.4
159.04393	12.0
160.07599	4.6
161.02382	8.0
161.05968	14.8
162.04149	8.8
162.05522	17.4
163.03894	61.4
163.06104	4.6
164.07092	12.4
165.07832	34.7
166.04979	4.1
166.08606	12.7
168.06386	3.1
175.06029	8.3
176.07063	59.5
177.05482	33.0
178.04993	10.4
178.08661	18.0
179.03362	25.4
180.06593	6.9
181.04874	3.9
186.05533	20.4
187.03891	13.2
189.04140	3.5
194.08183	30.5
195.06328	3.8
195.44249	3.3
197.04610	7.3
203.05621	5.7
204.06575	100.0
205.01295	3.9
205.05032	21.8
222.07652	87.4
223.06017	24.4
240.08676	24.2
252.12282	3.5
261.81116	3.8
276.10767	11.1
281.10001	3.8
282.10104	5.7
337.14136	3.2
353.08691	22.4
396.12936	60.6
397.11407	17.5
414.14072	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94188	4.3
55.05510	8.6
55.06110	3.9
56.05029	10.9
56.45984	4.1
56.96579	5.4
65.03943	13.0
67.05514	21.2
68.99780	6.1
69.03423	20.0
70.06587	4.7
71.59144	6.4
83.04990	52.2
84.04520	48.8
85.02911	17.5
88.00266	4.0
89.47630	4.6
91.05490	16.7
93.03414	17.8
94.23682	4.4
95.04966	16.6
97.02877	4.9
102.05528	5.0
103.05486	12.4
105.07037	8.5
107.04956	19.0
111.04451	60.1
115.05446	10.2
117.03383	6.2
119.04945	11.1
119.30116	5.5
120.05609	9.1
120.08106	7.0
121.02840	11.8
121.06481	6.4
123.04436	77.6
123.05325	6.4
129.05511	30.3
130.06581	8.2
131.04944	19.2
133.02824	24.6
133.06522	5.8
134.06021	8.1
134.99686	7.0
135.04428	25.0
136.06190	14.8
136.07567	11.7
137.05916	7.0
139.03891	41.5
143.04910	12.0
145.02847	7.6
146.11317	4.2
147.04413	53.1
147.08063	8.5
148.07553	21.3
149.05981	19.9
150.05461	26.1
150.09100	6.9
151.03929	21.4
152.07071	13.7
157.05003	24.5
158.06050	26.7
159.04372	12.7
161.02394	7.2
161.06012	18.5
162.04213	7.0
162.05513	17.0
163.03903	58.6
164.07079	10.7
165.07872	36.9
166.08624	12.2
175.06036	9.8
176.07045	56.6
177.00633	5.7
177.05479	28.1
178.04980	6.4
178.08603	24.0
179.03384	25.8
180.06592	12.0
181.04961	4.5
181.95827	4.2
186.05582	27.9
187.03906	15.4
189.04192	5.7
190.08658	16.1
194.08109	29.5
195.06566	7.2
197.04453	5.6
204.06564	100.0
205.01450	5.3
205.04974	23.6
205.06709	5.7
222.07626	83.9
223.02316	6.2
223.06148	22.1
240.08723	25.7
276.10919	8.0
347.19974	4.8
353.08618	22.4
384.80560	4.5
396.12848	59.4
397.11411	20.7
414.08035	19.5
414.13953	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	414.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
55.05510	5.7
56.05024	6.5
56.16977	4.2
58.94009	3.9
65.03939	8.1
66.01617	3.1
67.05496	15.1
69.03422	7.5
70.06591	7.2
71.16885	8.9
79.05499	4.7
83.04960	25.4
84.04520	36.4
85.02887	8.7
86.06036	4.5
86.09707	6.6
89.03930	7.7
91.05466	11.4
93.03417	9.4
93.07019	4.3
95.04960	20.7
96.91849	3.4
97.25240	3.4
103.05446	14.9
107.04967	9.6
109.02834	5.5
110.07143	17.4
111.04443	34.5
115.05479	5.3
115.98728	4.1
117.03383	5.7
120.08070	10.0
121.06511	6.8
123.04429	100.0
129.05470	15.9
130.06537	6.1
131.04903	13.8
133.02820	11.6
133.06445	7.2
135.04417	16.1
136.07603	4.9
137.05907	3.9
139.03864	14.7
143.04935	6.7
145.02853	6.8
147.04413	11.9
147.06543	6.0
147.08034	5.8
148.05162	5.1
148.07549	23.2
149.05977	12.9
150.05473	9.1
151.03891	12.2
152.07057	10.7
156.07651	9.4
157.04980	9.7
158.06021	12.0
159.04408	8.5
161.05942	9.0
162.05519	11.4
163.03923	50.8
164.04329	5.5
164.07098	9.2
165.07857	14.5
166.04970	4.5
166.08678	18.7
176.07097	42.5
177.05473	20.5
178.04924	6.6
178.08682	14.3
179.03395	16.6
180.06595	5.8
186.05484	15.2
187.03896	8.2
189.04114	4.3
194.08098	18.7
204.06581	82.8
205.05023	19.5
217.08554	4.5
222.07629	67.9
223.05986	13.4
240.08769	12.3
251.09616	3.7
252.09972	9.5
254.53490	4.5
353.08548	12.2
396.12915	33.5
397.11295	11.6
414.14444	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
55.01859	11.0
55.05513	29.8
56.27760	3.0
56.96556	10.5
57.03437	7.6
61.02922	4.6
63.77043	3.3
65.03940	6.4
67.05506	67.4
69.03423	9.9
69.07063	29.4
70.09785	14.9
71.04984	7.0
79.05483	47.9
81.02348	3.3
81.03417	16.3
81.07061	58.1
83.04964	7.9
83.08611	16.4
85.02908	8.0
85.06533	5.9
88.23375	3.3
91.05481	74.8
93.07049	37.3
94.90538	3.8
95.04965	13.3
95.08614	37.6
97.02886	7.7
97.06552	5.0
97.10150	12.8
99.04482	3.6
99.18887	3.0
103.05503	3.8
105.07030	42.3
107.04954	18.6
107.08595	36.3
109.06513	6.3
109.10139	21.7
114.35847	3.3
116.98592	4.2
117.02183	25.0
117.07016	23.1
119.04930	3.3
119.08562	39.9
121.06523	4.5
121.10160	17.8
123.08048	4.6
123.11750	5.7
125.09608	9.1
127.03881	5.4
128.06187	7.3
129.07010	21.6
131.08557	28.5
133.06494	6.3
133.10139	23.5
135.08060	10.0
135.11697	11.6
137.09633	7.1
139.03954	4.1
141.06982	10.7
142.07794	4.4
143.08546	17.8
145.05261	19.0
145.06380	5.9
145.10123	16.0
147.08035	9.4
147.11687	14.2
149.09589	8.0
149.13228	4.2
151.03885	9.3
151.11124	3.5
153.05540	8.4
153.06929	9.4
154.07788	5.1
155.08551	21.1
155.54518	3.5
157.10112	18.9
159.08093	5.3
159.11661	17.4
161.09637	7.3
163.11253	4.7
169.10147	14.8
171.03194	14.7
171.11673	10.7
173.13193	8.8
175.11287	4.2
177.05492	4.0
183.11699	13.2
185.13287	10.4
187.11128	4.5
187.14716	4.1
189.11212	4.3
195.11635	5.9
197.13306	9.3
199.11313	3.4
199.14922	6.6
200.05910	4.4
201.12581	4.4
201.16335	4.1
203.07161	4.1
203.14354	3.9
209.13240	8.1
211.14795	6.6
225.16432	5.4
227.07048	100.0
227.17928	10.6
239.17999	5.3
267.09036	11.5
267.16080	4.7
275.12759	4.4
275.20230	4.3
277.21637	4.2
285.10168	13.6
287.12506	4.3
349.17099	4.2
367.18021	4.5
367.22516	5.7
377.28223	5.8
395.21982	6.0
395.29453	32.6
396.11038	12.0
413.22552	10.8
413.30582	32.5
414.12177	45.5
414.22403	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	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
52.22131	0.4
68.55453	0.5
69.03392	0.6
69.36351	3.6
72.95460	0.4
73.35806	0.4
75.96848	0.3
79.05480	0.6
81.03413	0.7
81.07047	0.8
83.27865	0.4
85.02888	0.5
91.05479	0.6
98.21572	0.7
105.07019	0.6
107.08597	0.6
127.03901	0.7
145.10143	0.5
161.03015	0.5
177.05550	0.6
181.37350	0.4
184.07233	0.4
194.27156	0.4
203.05197	1.9
210.58531	0.4
413.21451	100.0
414.21860	1.4
415.60867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	14.9
55.01863	6.0
55.05507	21.4
57.03440	34.0
57.07075	4.0
61.02912	4.5
62.22259	2.4
65.03928	3.7
67.05507	61.9
69.03429	67.5
69.07072	24.7
71.04990	15.9
71.58875	5.4
71.59274	3.6
73.02911	7.4
73.06566	2.4
79.05491	44.4
81.02934	2.5
81.03419	85.1
81.07058	100.0
83.01363	4.4
83.04990	34.9
83.08614	16.7
85.02905	36.0
85.06535	7.3
87.04457	2.6
91.05486	42.1
93.07050	50.8
95.04965	17.5
95.08613	31.2
97.02892	41.5
97.06519	13.9
97.10165	3.5
99.04469	14.0
99.08128	5.8
101.02335	3.9
103.03943	8.2
105.07032	26.8
107.04957	9.0
107.08601	29.2
109.02898	18.0
109.06526	8.1
109.10156	9.6
110.36229	2.5
111.04446	11.7
111.08098	7.8
114.61657	2.9
117.07026	16.7
119.04957	4.4
119.08595	18.9
121.06497	14.9
121.10139	17.4
123.04406	6.0
123.08070	4.8
123.11732	5.4
125.09598	5.4
127.03947	25.2
127.07579	2.6
129.05498	9.5
129.07014	7.5
131.08594	20.4
133.06468	6.0
133.10143	18.4
135.08057	8.5
135.11671	15.1
137.05983	15.2
139.07584	2.5
143.08615	5.9
145.06564	3.9
145.10161	5.6
147.08022	5.0
147.11703	11.5
149.09641	6.4
149.13266	36.1
151.03954	3.5
151.07520	3.1
151.11185	2.6
157.10155	5.6
159.08022	4.3
159.11697	25.6
161.06026	3.3
163.07532	8.6
165.05515	6.4
165.12773	5.4
173.04559	4.7
173.13252	4.0
175.11227	4.1
177.09123	19.4
177.12697	14.3
183.06555	4.1
185.13275	3.0
187.11218	3.3
189.05530	8.3
189.09105	6.6
191.10695	7.1
195.13795	31.6
199.11121	3.4
213.14914	9.2
219.13950	3.6
231.13744	2.9
249.14948	5.6
269.17603	15.2
297.17017	5.2
321.16867	4.0
339.18088	6.8
353.10214	7.0
387.69489	3.1
395.20633	6.1
413.21765	91.0
413.30145	6.6
414.22369	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	413.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22131	0.4
68.55453	0.5
69.03392	0.6
69.36351	3.6
72.95460	0.4
73.35806	0.4
75.96848	0.3
79.05480	0.6
81.03413	0.7
81.07047	0.8
83.27865	0.4
85.02888	0.5
91.05479	0.6
98.21572	0.7
105.07019	0.6
107.08597	0.6
127.03901	0.7
145.10143	0.5
161.03015	0.5
177.05550	0.6
181.37350	0.4
184.07233	0.4
194.27156	0.4
203.05197	1.9
210.58531	0.4
413.21451	100.0
414.21860	1.4
415.60867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
55.01873	8.4
55.05506	8.2
56.96574	2.2
57.03431	5.9
61.02932	3.7
65.03948	2.4
67.05502	12.4
69.03429	51.7
69.07072	30.5
70.03784	2.0
70.06593	3.7
70.85158	7.1
71.04992	11.0
73.02897	4.4
77.25624	1.8
79.05494	24.8
81.03415	28.7
81.07060	26.4
83.04979	25.0
84.08147	3.5
85.02909	29.1
85.06531	4.7
86.09703	2.8
87.00828	8.0
91.05492	22.3
93.07047	34.5
95.04981	19.0
95.08614	8.7
97.02885	24.4
97.06535	52.0
97.07146	3.2
98.97573	2.0
99.04447	21.3
105.01858	5.2
105.07026	47.0
105.07686	3.8
107.04968	11.7
107.08604	21.7
109.02872	16.6
109.06497	15.5
109.10151	4.4
111.04468	2.7
111.08077	2.7
113.06025	2.2
115.03902	2.4
115.05502	3.9
115.07551	3.1
117.07021	13.0
119.04951	6.2
119.08573	15.9
121.02890	3.0
121.06493	27.6
121.10169	8.6
123.04463	5.4
123.07999	2.3
125.05077	2.3
125.05992	40.9
127.03915	28.5
127.07554	3.4
128.06224	6.4
129.05527	2.8
129.07040	5.9
130.07808	5.2
131.08574	19.3
133.06519	10.1
133.10098	11.1
134.99670	2.8
135.04430	3.4
135.08072	7.3
135.11714	4.7
137.05942	14.2
139.03883	2.3
141.06950	3.5
142.07817	3.1
143.07043	24.6
143.08583	11.0
144.09343	4.7
145.04964	6.0
145.06514	9.2
145.10118	72.8
146.07291	1.8
147.08057	5.6
147.11684	7.1
148.02156	76.9
149.09616	3.2
151.07552	6.5
153.05527	2.2
154.07817	3.4
155.08618	4.9
157.10126	6.5
158.07307	12.3
159.03000	4.9
159.08087	12.4
159.11684	23.9
161.09653	4.4
163.07587	3.3
163.11165	19.2
166.03229	100.0
169.10159	8.4
171.08116	3.4
171.11627	3.9
172.08841	6.4
173.09618	58.7
174.09987	2.3
175.07539	2.5
175.11278	2.0
177.05568	2.4
179.08672	3.0
185.07176	4.2
185.09686	4.4
187.07559	2.6
187.11194	45.4
189.09157	3.1
189.12746	3.4
191.10667	24.5
191.14388	2.6
197.09676	8.5
203.10660	2.6
205.12224	26.1
209.11761	5.8
214.24152	2.2
215.10674	40.8
221.11716	5.8
231.04883	2.3
233.11713	23.9
233.15396	3.0
251.12836	9.4
257.08142	2.4
275.16351	3.0
283.13287	2.6
301.14563	3.1
331.15430	2.2
369.15356	3.6
409.64960	2.5
413.17004	10.5
413.21924	4.2
413.25766	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	413.1411
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01875	0.5
55.09388	0.4
56.05033	0.7
56.96574	1.1
67.35376	0.4
70.72128	1.4
74.06069	2.2
76.24806	0.4
83.04980	0.5
84.96016	0.4
98.97599	2.0
102.05559	1.1
109.02856	0.4
110.06045	0.5
110.97582	0.6
116.98644	1.1
119.03543	2.9
120.06567	9.1
121.10503	0.5
123.04382	0.6
128.98624	0.9
136.06183	100.0
137.04619	2.3
146.99678	0.8
147.04366	0.4
152.30208	0.4
161.01205	1.0
162.04108	61.8
163.04083	0.4
204.06541	0.5
219.01717	0.9
237.02769	2.6
254.01007	2.6
268.10370	1.2
269.03317	0.5
272.01990	2.2
281.09918	46.6
282.10217	0.7
287.04349	1.2
294.08371	0.5
391.64993	0.5
413.07535	6.8
413.12836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	19.1
59.32883	1.4
69.03431	2.8
70.06585	2.4
70.84713	2.1
70.85043	2.9
80.98730	1.6
84.96033	6.2
85.02895	2.2
97.02875	2.2
98.06010	1.8
98.97582	30.7
102.97060	1.8
105.69375	2.0
110.06025	3.7
110.97575	6.0
112.99142	2.1
116.98617	28.1
119.03577	1.7
120.06577	5.3
124.07590	2.3
128.98602	17.1
131.00186	4.2
134.99646	18.9
136.05147	2.8
136.06189	53.3
139.03868	1.8
142.08652	5.5
143.00119	3.7
146.99649	21.5
149.01222	6.7
154.08618	3.8
158.01285	1.9
158.99657	4.1
161.01231	11.8
162.04118	32.3
165.00751	4.1
170.99733	2.5
177.00688	6.8
179.02254	3.8
188.07004	1.9
189.00659	4.5
195.01613	2.0
201.00769	3.0
209.01155	2.4
211.99879	8.3
215.36067	1.7
217.99017	2.1
219.01703	14.1
226.01556	5.1
227.02271	12.3
230.01006	5.5
233.09169	3.9
235.99846	2.3
237.02818	43.9
242.03456	2.6
244.02707	3.6
245.03362	3.9
251.02357	2.0
251.05212	2.3
251.10287	4.7
253.98528	2.9
254.01012	42.4
255.03807	4.6
260.04456	2.2
269.03351	14.2
272.02026	35.8
277.02734	2.3
281.09903	22.7
287.04349	25.7
305.05710	2.5
311.04361	3.5
323.04446	2.4
329.05365	2.5
413.07587	100.0
413.14136	14.2
414.07938	3.2
431.08514	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39518	17.0
57.03683	17.0
61.97979	18.3
65.43716	16.1
69.88367	100.0
98.20798	28.9
113.50596	17.0
169.17781	20.1
201.01616	23.1
342.58267	20.9
413.06989	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	412.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.2
56.96554	1.3
61.04045	7.0
65.03935	0.7
67.05499	0.6
69.03412	0.8
70.06599	0.6
71.58050	0.8
72.08156	26.6
73.08488	0.5
81.03444	0.6
83.04967	1.3
84.04488	0.6
85.02891	1.1
91.05473	1.5
95.05000	0.8
97.02888	0.9
98.22884	0.6
98.97560	1.5
103.05484	0.9
107.04974	1.2
110.05993	0.5
111.04419	1.4
115.08689	100.0
116.07109	0.7
116.09011	1.1
116.98634	1.1
118.06577	0.8
119.04944	2.4
119.07368	0.6
122.06070	1.1
123.04431	1.7
128.98618	1.0
129.05423	0.5
131.04948	1.0
132.04425	1.2
133.02809	0.6
134.99663	0.7
135.04442	1.0
136.06157	0.9
136.07588	1.0
146.05994	2.0
146.99672	1.1
147.04411	10.9
149.06039	0.8
150.05502	8.9
152.07037	0.9
161.01230	0.6
162.04108	0.9
162.05525	0.6
163.03902	2.6
163.06297	0.6
164.07047	1.7
174.05638	0.8
175.03906	1.4
178.04993	2.7
179.03415	0.9
188.07059	1.0
192.06580	1.8
201.67328	0.6
202.05151	0.6
203.03380	0.8
219.01782	1.3
220.06085	6.7
221.04440	1.1
234.09981	0.5
237.02876	1.7
254.00981	1.8
272.02051	1.6
289.20538	0.5
303.35953	0.5
412.11777	2.4
412.17068	12.2
413.07587	2.5
422.61896	0.7
431.08789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09724	1.6
56.96557	3.0
57.03442	3.3
58.34739	1.8
60.04517	1.5
61.02899	2.2
61.28001	1.6
62.06086	2.4
69.03440	10.3
71.58921	1.8
72.04513	15.3
81.03432	8.1
83.04994	4.2
85.02915	20.1
89.03925	2.0
91.05492	4.3
95.04954	3.1
97.02893	7.5
103.05462	1.7
109.02891	3.4
111.04439	4.9
116.98659	2.0
117.03349	2.3
117.05739	3.0
118.05025	22.5
118.06540	23.8
119.04945	2.8
123.04410	4.3
127.03909	4.5
131.04919	2.4
132.08092	94.2
135.04414	4.5
136.07629	1.7
139.03894	2.6
143.07297	2.1
144.08093	17.2
145.02809	4.1
146.06017	72.6
147.04462	8.6
149.05901	1.7
150.05513	10.0
156.08124	2.1
157.04996	1.7
160.07643	2.5
163.03937	15.5
164.07005	2.9
170.06009	7.1
174.05600	1.9
177.05484	3.4
178.04999	3.6
188.07072	100.0
189.07384	2.8
192.06593	6.4
202.04997	4.4
203.11835	5.7
219.06575	7.7
220.06073	12.9
238.07130	3.1
249.12360	99.4
250.12480	2.2
254.98061	2.6
260.98459	2.7
273.34061	1.9
276.12326	4.0
285.01163	1.7
285.04514	2.1
294.13354	1.9
340.46576	1.5
357.04935	1.7
372.03336	1.7
374.54486	1.6
394.11575	2.0
411.17682	6.4
412.12277	6.2
427.11023	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
56.85629	2.0
57.03413	3.6
60.84230	1.9
66.51397	2.0
68.99776	3.0
69.03439	12.2
70.06564	3.0
71.04966	4.4
71.58672	3.3
73.02917	4.3
80.03182	2.0
81.03410	9.5
81.07043	2.2
85.02910	27.1
86.62862	2.1
87.00829	6.3
87.04476	2.7
95.08579	2.1
97.02911	8.5
98.97565	2.1
99.04437	5.0
102.05548	3.4
103.03888	3.0
105.01825	5.2
107.84887	2.2
108.08138	3.2
109.02876	6.5
115.05470	2.2
117.05761	6.9
117.07038	4.3
119.08546	3.2
123.04447	4.8
124.07581	2.1
126.73644	2.3
127.03905	11.8
129.06999	10.1
130.06548	22.0
131.06865	4.1
132.08040	5.3
143.07292	25.7
144.08092	87.0
144.09241	4.8
145.08415	4.5
145.12183	3.7
155.07245	3.2
156.08107	27.0
157.08856	3.5
158.06033	4.4
158.09647	100.0
160.07579	7.4
162.09174	12.4
163.03876	3.5
167.07300	6.4
168.08092	25.9
170.09625	6.6
172.07590	3.2
174.09126	9.9
180.08060	3.0
181.08827	5.1
182.09645	5.3
184.07556	25.2
186.09131	85.7
194.47545	2.3
196.07693	2.4
196.11336	5.5
198.09213	3.1
204.10190	67.6
204.12070	4.3
206.09717	5.3
209.08310	2.5
210.09090	3.6
224.10698	6.0
228.10175	5.2
234.09012	3.3
252.10223	14.6
258.04861	2.5
259.06143	3.9
270.11295	8.7
288.12299	3.6
330.13388	6.4
348.14151	5.5
352.36755	2.4
356.11310	9.2
361.57605	2.6
366.22717	5.5
374.12335	36.6
392.13397	37.4
410.09402	4.1
410.17535	3.1
410.25668	11.1
411.10760	2.7
411.19821	3.2
418.43384	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3829
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
52.04885	3.1
55.05507	7.0
58.11541	3.6
58.61553	3.6
60.39641	3.4
60.91219	3.2
67.05503	26.9
67.21815	3.8
69.07075	26.8
69.29979	7.8
69.30394	29.5
74.09636	3.1
79.05521	6.4
79.64755	3.6
80.61676	3.8
81.07064	54.9
83.08620	7.6
89.06030	4.0
91.05476	8.2
93.07040	22.8
94.39248	3.5
95.08610	100.0
97.10168	6.0
105.07040	13.0
107.08608	25.9
107.09256	5.0
109.10159	70.9
119.08567	15.1
121.10151	38.9
123.11721	25.2
133.10109	16.4
135.11690	14.4
137.13266	29.9
145.10162	7.1
147.11697	10.2
147.78474	4.1
149.13261	14.4
159.11728	7.0
161.13263	8.6
163.14865	14.4
173.13292	4.2
175.14809	8.6
177.16356	8.7
187.14888	5.0
189.16466	9.2
191.17924	11.6
203.18047	13.4
205.19574	9.5
217.19530	7.5
219.21107	4.6
229.19492	8.5
231.21123	10.7
257.22653	7.8
285.25363	3.4
311.47583	3.5
409.38367	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
54.51372	0.7
55.01865	5.7
55.05508	10.7
57.03440	4.0
57.07076	10.8
67.05499	2.6
68.53583	0.8
69.07068	24.2
69.57658	6.5
71.08627	9.9
74.01481	0.8
79.05481	1.3
79.98636	0.8
81.03416	9.6
81.07071	4.1
82.27921	0.8
83.08616	17.1
83.09109	1.1
85.10188	4.8
93.07050	2.0
95.08600	4.6
97.02873	0.8
97.10166	10.2
99.04442	2.1
99.11700	0.9
107.08550	1.2
109.02871	9.0
109.06497	1.1
109.10126	5.3
110.09603	0.9
111.11712	5.8
113.00002	1.1
115.03933	8.5
120.30189	0.7
121.10107	0.9
123.04408	1.3
123.08026	1.0
123.11712	3.0
125.13239	2.9
127.03913	100.0
128.04265	1.5
135.11751	1.1
137.09616	1.0
139.14850	0.9
141.05472	4.6
145.04970	1.5
149.09659	1.6
155.07001	2.3
161.16039	0.8
168.06593	1.4
169.08615	6.0
177.09114	1.3
183.10161	13.8
195.10172	3.8
197.11731	6.5
209.11716	3.5
211.13286	4.0
223.13202	1.5
225.14827	4.1
237.14877	2.9
239.16402	4.7
251.16464	2.7
253.17978	7.5
259.53232	0.7
265.17957	4.7
267.19537	3.2
272.88788	0.7
279.19583	2.5
281.21091	2.3
293.21170	1.6
295.22769	3.0
309.24219	3.3
321.24176	1.9
335.25836	1.4
387.32370	0.8
391.32040	16.6
409.33179	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.1
53.03951	9.1
55.05513	20.0
57.07077	8.0
59.04987	3.7
61.85157	2.9
64.09635	2.9
65.03944	4.8
67.05507	29.8
69.03439	7.1
69.07070	15.7
71.59460	4.6
79.05495	28.6
81.07055	37.0
83.04980	6.4
85.06542	3.7
91.05484	45.2
93.07037	48.6
95.04971	53.2
95.08611	30.5
97.06513	12.3
103.05457	4.5
105.07027	100.0
107.04972	5.7
107.08592	24.7
109.06522	15.4
109.10181	9.0
115.05466	4.1
117.07025	10.9
119.08582	65.4
121.06540	16.6
121.10143	17.1
123.08038	20.7
125.05932	4.0
128.06200	6.6
129.06982	11.2
131.08601	26.9
133.06514	4.8
133.10146	20.4
135.08034	17.9
135.11673	6.3
137.09625	10.2
141.06976	6.2
142.07813	16.8
143.08582	24.4
145.06465	7.3
145.10120	38.1
147.08083	17.1
147.11681	32.1
149.09633	8.6
151.07542	24.4
155.08531	11.6
156.09402	6.1
157.10143	27.1
159.08127	8.9
159.11688	14.1
161.09639	7.1
161.13258	4.1
163.11183	4.4
165.09099	36.3
168.09360	4.1
169.10156	11.5
170.10930	4.1
171.11697	14.4
173.09697	8.9
173.11845	3.4
173.13315	12.0
175.11205	22.1
176.16472	3.5
177.09079	18.2
181.12288	3.6
183.11697	13.9
185.13208	7.1
187.11198	6.9
188.18373	3.1
189.12733	8.3
195.11647	3.6
197.13347	5.2
199.11269	5.6
199.14713	4.0
201.12741	11.5
201.16319	3.8
203.14330	15.5
207.11894	3.5
207.13844	10.3
209.13208	6.1
211.14813	7.8
217.10683	3.4
219.13780	6.1
221.15349	62.7
229.15892	7.8
231.13896	4.3
233.15440	4.4
234.12123	3.5
234.16133	11.3
286.19077	4.5
287.20206	8.6
295.13837	3.7
300.20862	4.8
309.15402	10.7
391.26184	7.6
409.27295	40.6
410.27411	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01865	2.4
55.05514	18.1
57.07069	6.8
65.03942	2.1
67.05505	22.3
69.03438	9.8
69.07063	9.9
70.85093	5.4
71.04977	2.0
74.01104	1.7
74.01588	1.6
79.05487	19.1
81.03383	2.5
81.06646	2.9
81.07058	34.3
83.04974	5.8
85.06520	3.6
85.31097	2.0
91.05482	34.1
93.07046	42.7
95.04961	45.4
95.08601	31.5
97.06517	6.1
103.05485	3.9
105.07032	100.0
107.04945	2.3
107.08574	25.9
109.06510	10.9
109.10152	10.0
111.08071	4.0
117.07008	15.0
119.04963	2.4
119.08576	70.6
121.06512	12.9
121.10159	16.6
123.08070	17.4
128.06183	3.5
129.07013	11.4
130.05107	1.7
130.07784	5.6
131.08568	18.5
131.68044	2.1
133.06459	6.3
133.10159	16.4
135.08041	12.3
135.11671	6.1
137.09587	8.2
141.06982	3.2
142.07794	12.9
143.08548	13.3
145.06468	2.7
145.10123	34.2
146.10825	2.6
147.08026	16.7
147.11693	45.5
149.09645	13.8
151.07542	21.2
153.09102	2.5
155.08513	8.3
156.09290	3.4
157.10121	19.4
159.08018	7.5
159.11702	12.5
161.09619	8.1
161.13290	3.7
163.11214	4.8
165.09117	32.5
166.09459	2.9
167.08582	2.6
168.09332	6.0
169.10124	7.6
170.10855	2.3
171.11743	8.0
173.09621	5.3
173.13193	7.1
175.11188	28.4
176.11588	2.4
177.09106	5.3
179.08540	2.3
181.10132	5.4
183.11652	7.0
185.09711	2.1
185.13290	3.9
187.11075	3.5
187.14850	2.4
189.12766	6.5
191.14294	3.6
193.10188	2.7
195.11649	3.6
197.13242	5.1
199.11194	5.5
201.12773	7.4
201.16301	3.4
203.14333	12.2
207.13681	9.1
209.13396	3.6
209.15302	3.9
211.14804	5.9
213.12859	2.7
215.14326	4.5
219.13773	4.8
221.15364	58.6
222.15752	3.3
223.14915	2.0
229.15933	3.2
231.13817	5.5
233.15398	4.0
234.16089	18.6
287.20007	7.7
300.20715	6.5
312.20724	2.1
329.21127	4.6
391.26382	6.4
409.27301	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.05516	20.5
57.07060	6.5
59.04983	3.4
61.96456	2.6
65.28022	2.6
67.05511	20.8
69.03436	7.8
69.07055	7.3
69.22038	2.7
79.05499	19.1
81.03382	3.0
81.07064	36.8
83.05017	3.0
85.06515	5.1
88.47255	2.3
91.05492	36.4
93.07057	46.2
95.04980	51.1
95.08613	26.9
97.06511	8.4
103.05468	3.4
105.07034	100.0
107.08586	23.6
109.06506	10.4
109.10200	15.8
111.08072	3.0
115.05323	3.1
117.07020	12.4
119.04919	3.0
119.08590	62.1
121.06544	13.7
121.10133	14.7
123.08074	14.9
123.11723	3.8
129.07025	6.6
130.07736	5.3
131.08574	20.6
133.06488	6.4
133.10118	16.2
135.08052	12.8
135.11679	6.4
137.09634	6.9
142.07770	10.8
143.08591	15.2
145.06448	3.9
145.10127	37.8
147.08075	14.7
147.11694	40.4
149.09630	9.7
151.07550	15.2
155.08556	7.4
156.09315	6.6
157.10135	17.7
158.05716	2.5
159.08061	6.9
159.11707	16.4
161.09589	9.0
161.13365	4.3
163.11224	4.3
165.09106	36.4
169.10132	9.2
171.11676	8.8
173.09631	5.1
173.13402	6.6
174.10352	2.8
175.11209	22.1
177.09109	4.7
181.12378	2.8
183.11658	8.9
185.09575	4.1
185.13361	5.2
187.11176	5.0
187.14842	3.3
189.12784	4.9
195.11671	3.4
197.13216	3.1
199.14819	3.7
201.12747	5.9
201.16376	3.7
203.14388	13.6
207.13847	7.1
211.14796	6.5
215.14465	3.7
219.13814	5.0
221.15364	55.1
229.16026	4.3
233.15359	5.5
234.16072	16.0
287.20050	8.0
300.20676	4.0
321.35373	3.0
329.21115	4.9
391.26065	4.3
409.27124	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.96555	0.6
57.03434	0.7
57.07066	0.6
60.31084	0.5
66.80306	0.5
67.05505	3.3
69.07053	1.1
71.58926	0.8
74.66346	0.5
79.05490	2.0
81.03434	0.7
81.07047	2.5
91.05482	1.5
93.07047	1.7
95.04965	0.9
95.08605	2.6
105.07021	1.1
107.04957	1.5
107.08602	1.2
109.10161	1.9
135.11705	1.0
165.05510	1.2
173.11754	0.5
309.16711	1.6
409.25607	100.0
410.25949	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	409.2733
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
52.82689	1.6
53.03934	5.0
55.01870	2.7
55.05510	17.1
55.82317	1.4
57.07059	7.0
59.04990	4.5
67.05503	24.6
69.03428	12.1
69.07055	10.4
69.67363	11.9
71.04975	1.9
79.05489	25.1
81.03409	2.0
81.07049	39.6
81.92117	1.6
83.04974	5.1
83.08588	4.2
85.06524	5.1
91.05472	42.1
93.07036	53.3
95.04356	3.3
95.04961	51.6
95.08601	35.9
97.06535	10.6
97.77642	1.6
103.05449	4.5
105.07023	100.0
106.07315	2.0
107.08586	26.5
108.05733	2.1
109.06508	16.8
109.10149	13.1
111.08046	2.4
115.05465	4.7
117.07020	18.7
119.04949	2.1
119.08576	62.5
120.08842	1.8
121.06498	24.2
121.10128	14.9
123.08060	22.5
123.11687	2.3
128.06212	7.3
129.06992	9.4
130.07761	4.8
131.08562	24.7
133.06430	4.3
133.10127	21.3
135.08052	16.4
135.11662	5.2
137.05945	2.0
137.09599	11.9
141.06999	5.8
142.07771	13.5
143.08553	20.9
144.09343	3.8
145.06448	2.4
145.10112	41.8
146.10808	2.5
147.08035	20.1
147.11681	33.3
148.12032	1.7
149.09616	12.6
149.13271	1.8
151.07532	26.8
153.06970	3.1
153.09097	2.8
154.07726	2.6
155.08542	8.8
156.09328	6.8
157.10121	23.1
158.10933	2.0
159.08054	7.2
159.11684	16.5
160.08832	1.6
161.09627	11.5
161.13223	7.4
163.07475	1.9
163.11151	6.9
165.09096	34.6
165.94328	1.4
166.07916	1.9
167.08556	3.1
168.09323	6.1
169.10124	15.3
170.10957	1.7
171.11682	14.1
173.09561	7.4
173.13245	8.8
174.10355	2.9
175.11176	19.3
175.14822	2.7
177.09079	3.8
177.12769	1.6
178.09831	1.8
179.08522	2.2
181.10117	7.7
181.12117	2.6
182.10934	2.3
183.11679	14.5
185.09637	4.0
185.13275	8.7
187.11172	4.7
187.14763	3.5
189.12715	8.8
191.14221	4.3
193.10161	2.9
195.11723	3.1
196.12288	2.2
197.13202	4.2
199.11095	5.2
199.14780	1.9
201.12749	12.4
201.16267	2.8
203.14328	15.0
207.11783	3.6
207.13824	12.7
208.12544	2.1
209.13312	2.9
209.15338	4.2
211.11337	1.7
211.14790	7.2
215.14171	4.1
216.15027	2.5
219.11766	1.7
219.13791	4.4
220.12279	1.9
221.13370	2.5
221.15349	61.9
223.14857	3.9
225.16289	2.0
229.15839	6.7
231.13766	3.3
233.15416	2.3
234.16109	14.4
251.18037	2.1
253.15839	1.8
286.19296	4.7
287.20135	9.9
300.20816	3.4
317.21152	2.8
329.21274	3.8
335.19781	1.7
373.25430	1.7
391.26315	5.9
409.27304	45.2
410.27469	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51642	0.3
64.61664	0.4
67.05505	1.0
69.07066	0.6
69.78440	2.5
79.05490	0.6
80.38340	0.3
81.07055	0.5
91.05490	0.4
93.07069	0.6
95.08587	0.4
100.42652	0.4
105.07011	0.5
107.04997	0.7
107.08606	0.4
109.10114	0.5
135.11806	0.5
139.02116	0.3
139.03917	0.5
163.03922	0.4
208.06880	0.6
215.10904	0.4
217.12268	1.1
227.10663	0.4
284.09961	0.4
295.15094	1.0
309.16724	1.0
317.05731	0.4
331.15610	0.6
335.21707	0.5
349.17056	0.6
409.25598	100.0
410.25903	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	409.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02345	2.6
93.07081	0.6
109.10129	0.8
141.95061	0.6
147.65912	0.5
160.96289	0.5
171.11723	0.6
171.73196	0.6
173.15558	0.5
188.82494	0.5
198.51131	0.6
199.96519	0.5
233.82520	0.5
259.46942	0.5
260.74179	0.5
295.15161	1.0
309.16791	1.0
400.00903	0.6
409.25598	100.0
410.25906	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	409.2196
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
55.05505	0.6
67.05499	1.0
69.07072	0.3
71.58849	0.4
71.93120	0.2
74.56307	0.2
79.05498	0.6
81.03373	0.3
81.07047	1.0
83.04940	0.3
90.52547	0.2
91.05492	0.7
93.07077	0.4
95.04942	0.6
95.08602	0.6
105.07042	0.6
107.08580	0.4
109.10158	0.4
111.08044	0.3
117.01894	0.2
117.07139	0.4
121.10159	0.4
125.09612	0.3
126.84092	0.3
131.08539	0.4
135.11684	0.4
137.05954	0.3
145.10211	0.3
149.09691	0.3
151.03929	0.4
153.50493	0.3
193.04938	0.4
309.19174	0.4
335.17813	1.0
349.16910	0.5
353.18060	0.4
409.21964	100.0
410.22314	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	409.1855
Annotation	CHEBI:70176
Peak:m/z	Relative Intensity
53.03937	7.5
55.01864	5.7
55.05509	11.9
57.03418	5.4
57.07071	4.6
67.05491	9.9
69.03426	28.9
69.07059	6.6
69.07412	2.4
71.04980	3.1
71.58876	3.5
79.05487	8.8
81.03411	9.0
81.07056	13.8
83.04984	44.7
83.57621	2.5
85.02893	10.0
85.06531	4.0
91.05494	22.7
91.14547	2.6
91.40723	2.2
93.07041	23.8
95.04960	10.1
95.08611	8.4
97.02895	12.4
97.06499	2.6
99.04423	2.6
101.32292	2.3
105.07024	20.8
107.08596	54.5
108.08128	2.6
109.02878	7.2
109.06512	8.0
109.10153	3.2
113.06023	3.4
115.05442	4.8
117.07024	11.5
119.08595	18.9
121.06496	48.2
121.10105	7.5
123.04417	5.5
123.08039	3.7
127.03906	9.3
127.07571	4.8
128.06224	2.5
129.06999	5.1
131.08574	13.6
133.06433	2.7
133.10117	11.0
135.08054	100.0
135.11671	2.7
136.55037	2.5
137.05972	6.0
141.06990	3.4
142.07793	2.7
143.08597	5.3
145.06451	6.3
145.10118	9.9
147.04434	3.6
147.08051	6.5
149.06030	5.8
149.09637	8.6
150.10504	3.3
151.11133	3.2
153.05486	5.2
153.09088	4.0
155.08505	5.0
157.10124	4.3
158.07333	3.6
158.10954	3.0
159.08099	12.2
159.11682	18.8
160.08751	3.4
161.05995	3.2
161.09575	7.1
161.13248	4.8
163.07553	43.7
163.11130	2.9
170.02789	3.2
172.08789	5.0
173.09651	9.7
173.13222	21.5
175.03932	4.6
175.07475	3.7
177.05493	3.1
177.09067	3.5
177.12672	5.1
183.11716	5.7
186.10405	6.5
187.11197	44.9
187.14856	2.8
189.12767	3.4
191.07033	8.4
191.14304	7.5
201.12746	45.8
203.14374	10.2
205.12212	44.5
207.06650	3.8
211.11176	4.0
219.13766	45.4
229.04951	4.6
229.12247	46.0
245.04509	3.4
247.13300	80.4
257.04443	14.7
287.05450	5.5
288.12167	4.9
409.09094	11.4
409.18323	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	409.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93742	1.5
53.03941	3.2
55.01867	2.0
55.05517	7.5
57.03428	5.9
57.07064	2.7
59.04985	1.7
61.02914	3.4
65.03976	1.4
67.05502	9.6
68.99789	2.0
69.03428	27.7
69.07049	2.8
71.04987	2.0
71.58963	1.9
77.12164	1.3
79.05495	10.5
81.03411	4.0
81.07037	6.6
83.04977	38.9
83.08656	1.7
85.02901	5.5
85.06541	3.9
91.05487	15.5
93.07045	25.0
95.04979	8.1
95.08590	6.5
97.02878	12.7
97.06512	3.2
99.04449	1.9
103.05436	2.3
105.07039	15.2
107.04940	2.9
107.07864	2.7
107.08592	49.2
109.02868	6.5
109.06516	10.7
109.10157	3.0
111.04438	2.5
111.08061	1.7
113.05991	3.5
115.05453	4.1
117.07027	10.9
119.04942	1.7
119.08578	13.8
121.06501	50.2
121.10123	5.2
123.04435	5.6
123.08083	3.7
124.07605	1.7
125.05997	1.9
125.09573	2.7
127.03927	12.1
127.07565	4.1
127.68187	1.5
128.06178	1.8
129.06995	4.0
131.04773	1.7
131.08549	13.1
133.06474	3.6
133.10146	8.9
135.04416	2.5
135.08049	100.0
135.11714	2.4
137.05933	4.3
137.09598	4.1
139.03909	2.4
142.07751	3.1
143.08568	6.2
144.09312	3.9
145.04846	1.8
145.06454	7.1
145.10112	5.8
147.04391	2.4
147.08052	8.1
147.99339	1.4
149.05992	4.3
149.09616	6.2
149.13240	1.4
150.10393	2.0
151.11139	1.6
153.05516	3.5
153.09065	4.0
155.08524	1.8
157.10120	3.7
158.10898	6.7
159.08078	9.9
159.11687	19.2
160.08827	2.8
161.06055	2.4
161.09607	9.3
161.13234	3.3
163.03877	1.9
163.07535	36.7
163.11278	2.2
163.28046	1.7
168.09378	1.9
169.10205	1.6
171.08035	2.7
171.11708	2.1
172.08865	6.5
173.05849	2.0
173.09627	11.0
173.13246	20.4
175.03961	1.8
175.14859	2.0
177.12747	3.9
183.11630	3.8
185.09676	1.9
185.13306	3.5
186.10368	7.0
187.11176	35.8
189.09096	3.0
189.12805	2.8
191.07043	7.4
191.14328	7.4
194.34140	1.6
200.21954	1.6
201.10873	1.9
201.12744	37.4
203.10622	1.7
203.14320	6.3
205.12233	42.3
205.51297	1.5
207.34485	1.4
211.11215	4.2
219.13783	39.0
229.04997	1.9
229.12231	47.1
229.14296	2.5
245.04428	2.1
247.13284	68.4
248.13541	2.1
257.04492	6.5
258.04739	2.0
265.14496	2.0
299.05396	1.6
353.37524	1.8
409.09134	6.0
409.18457	3.8
410.14090	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.96573	0.4
65.03935	0.4
67.05492	0.5
69.03423	0.9
69.07059	0.5
71.59233	0.3
73.02879	0.3
79.05478	0.6
81.03395	0.6
81.07063	0.7
81.16772	0.3
83.04981	0.3
83.52265	0.3
91.05480	5.2
93.07047	0.9
95.04946	0.6
95.08592	0.7
97.06548	0.4
103.05474	0.6
105.07020	0.7
107.01083	0.4
107.08601	0.5
109.02885	0.4
109.10136	0.4
117.07024	0.3
119.04948	6.1
119.08572	0.6
121.10136	0.5
123.04456	0.8
127.03952	0.3
130.06517	1.0
130.29657	0.3
131.04921	0.6
131.08562	0.3
133.10091	0.3
135.08083	0.4
145.10141	0.3
147.04411	5.4
147.08142	0.3
149.02371	0.4
151.07507	0.4
157.04033	0.3
157.07640	2.3
161.05959	0.4
163.03931	0.3
164.04762	0.3
173.13382	0.3
175.03920	7.7
177.05267	0.3
179.07054	0.5
193.05070	0.4
201.05458	0.3
203.03374	0.3
203.08173	6.7
207.06538	13.4
213.16377	0.3
229.04884	1.7
241.05000	0.3
245.04509	0.9
247.13094	3.7
257.04471	7.3
258.05038	0.6
271.05859	0.4
287.05518	1.4
299.05496	0.5
311.02774	0.3
391.07901	0.3
399.74335	0.3
409.09277	4.6
409.18335	100.0
410.18768	1.2
416.57343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97165	0.9
53.81083	0.8
55.01877	1.1
60.04516	1.0
67.05486	1.4
68.99097	0.7
68.99812	0.7
69.03425	1.0
69.07063	1.0
70.06595	1.2
71.05002	1.3
71.59172	1.2
72.08125	1.8
72.27858	0.8
79.05479	1.7
80.05023	0.7
81.03415	1.3
81.07051	1.6
84.08123	1.2
85.02898	1.3
86.09730	0.8
91.05461	1.5
93.07037	2.1
95.04965	1.9
95.08601	1.3
99.04462	0.9
105.07043	2.1
107.04950	1.5
109.02886	1.1
109.10194	0.9
119.04919	1.7
119.08623	1.7
122.06032	1.3
123.04424	9.3
124.07582	2.5
130.33035	0.8
135.04419	0.8
140.07080	0.9
145.10138	0.9
147.04385	2.0
147.11664	0.9
149.05963	1.1
151.03903	1.3
152.07092	0.9
152.14355	2.0
157.10086	0.8
161.05972	1.4
161.09592	1.0
162.05576	0.8
163.03934	3.4
175.03970	1.6
175.66959	0.7
176.03499	1.2
177.05513	1.6
178.04935	1.1
187.03783	1.0
189.05510	0.9
193.05002	2.0
194.01279	0.8
198.80678	0.8
201.03761	1.1
201.05434	1.6
203.03455	2.1
203.05292	7.4
215.03574	1.1
222.03885	4.0
223.04749	0.8
229.05013	3.0
229.09825	1.6
229.11957	7.5
236.05530	2.8
243.07631	1.2
244.09659	1.0
245.04407	5.0
247.05986	2.8
247.10770	1.9
247.13142	1.5
253.04829	1.0
257.04361	6.5
257.09146	0.8
259.05966	1.5
261.08698	1.5
268.19055	13.0
271.06247	2.3
273.03949	1.3
283.06049	2.6
285.08691	3.6
287.05527	9.4
289.08179	2.3
299.05557	3.6
300.08743	2.2
313.08231	2.8
315.09674	1.4
318.09781	1.3
331.09296	4.6
345.11053	3.7
349.10367	5.2
359.08624	1.2
363.11954	1.8
364.60651	0.8
365.12128	3.9
367.07993	1.4
377.09439	1.6
377.13528	3.0
391.11588	1.2
402.49930	0.9
409.09839	13.8
409.18323	100.0
410.18686	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0902
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
56.05032	2.3
56.96560	3.5
67.05505	1.5
69.03415	2.0
69.07061	1.9
70.06589	0.9
70.64281	2.8
79.05467	1.4
81.03422	1.3
81.07047	2.0
84.08126	1.7
84.96046	1.3
85.02892	1.8
87.00819	0.8
87.04449	1.1
91.05464	4.1
93.07047	1.7
93.37427	0.9
95.08566	1.5
97.02859	1.1
98.97586	4.3
103.05473	0.8
105.07020	1.6
107.08569	1.7
109.02866	1.3
110.97569	0.9
116.98626	3.8
119.04933	3.7
119.08547	1.4
120.08109	1.0
121.06520	1.3
123.04430	8.7
127.03868	1.2
127.08697	1.9
128.98616	2.8
131.04921	1.9
134.99649	2.6
137.05954	1.2
141.06592	2.3
145.06528	1.3
145.07622	2.1
146.99672	2.4
147.04414	7.0
160.98001	0.9
161.01239	1.2
162.99194	1.1
163.03888	2.0
163.08690	2.1
167.32532	1.0
169.13351	2.2
170.02727	4.8
170.99648	1.1
175.03874	3.1
177.00726	2.4
178.15945	1.7
179.03719	1.8
187.03912	1.6
197.04881	1.8
201.05458	2.7
203.03389	6.7
213.05492	1.6
214.01826	1.3
219.01799	2.9
221.04877	2.9
229.04936	11.8
231.15733	1.1
237.02817	6.2
245.04440	17.8
253.04997	1.1
257.04449	100.0
258.05066	5.8
259.06082	1.2
269.04495	1.6
271.06149	2.0
287.05533	10.3
299.05444	1.7
303.14554	1.4
323.08014	11.1
331.28702	1.0
341.09097	13.2
342.09662	1.0
345.19135	4.7
365.09201	3.4
383.10107	1.1
391.08160	1.9
409.09183	53.1
409.18158	2.0
409.24109	3.0
410.09647	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.8
56.05031	6.1
57.07067	3.4
67.05161	3.2
67.05492	16.9
69.03402	8.6
69.07061	14.8
69.28006	43.2
70.06575	10.8
71.69472	3.6
72.08157	6.6
75.80260	3.7
79.05474	9.9
81.03419	7.3
81.07041	23.7
83.08620	7.4
84.04486	6.2
85.02903	24.3
86.06059	18.6
86.09708	6.5
87.04462	9.8
91.05473	13.4
93.07030	13.0
95.04939	6.9
95.08603	29.0
97.02869	6.7
98.06031	26.3
100.39022	3.3
102.05499	5.2
103.05451	4.2
105.07019	20.5
107.04933	5.8
107.08595	31.8
109.02878	8.3
109.06521	4.0
109.10160	47.7
119.08580	38.4
121.10129	38.7
123.08082	6.3
123.11730	9.0
124.07575	14.2
125.09620	13.4
127.03945	6.6
133.10150	35.4
135.04404	5.6
135.11682	29.3
137.05890	6.2
137.09619	18.7
137.13211	5.9
139.03880	5.3
139.11177	6.3
141.66618	4.1
147.11671	5.2
149.13257	12.4
151.11151	20.8
151.14784	8.0
160.05055	4.6
160.09709	5.0
163.03867	5.7
165.16386	7.7
168.13754	5.6
175.14850	34.6
193.15868	73.8
203.05269	12.5
211.16864	5.4
230.15202	5.1
236.16408	18.6
248.42668	3.9
257.04492	6.4
264.15536	3.7
284.98285	4.2
328.21182	6.0
346.22256	100.0
363.08408	4.6
365.11987	4.6
390.24841	10.9
408.10907	6.7
408.16025	5.2
408.23807	8.9
409.09052	8.2
409.18372	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.8
56.05034	4.9
57.79013	3.3
66.22931	3.0
67.05518	20.1
69.03426	13.6
69.07058	11.0
70.06580	12.2
71.36829	5.7
71.37174	4.4
79.05494	8.6
81.03432	4.9
81.07056	33.9
83.04974	4.9
83.08626	5.1
85.02907	21.5
85.06511	4.5
86.06063	24.1
86.09692	7.8
87.04456	12.6
88.68972	3.3
91.05491	14.7
93.07037	12.0
95.04955	3.5
95.08605	24.7
96.08115	5.5
97.02889	6.2
97.06525	3.9
98.06056	39.2
102.05546	3.8
105.07018	20.3
107.04957	4.0
107.08601	22.7
109.06562	6.6
109.10151	44.7
119.08560	20.2
120.08100	4.3
121.10122	23.7
123.04444	7.5
123.08043	8.9
123.11713	9.3
124.07602	20.1
125.09637	11.4
129.51746	3.4
133.10120	29.8
135.11685	26.7
137.09607	15.3
137.13255	7.0
139.03914	4.0
139.11182	6.3
145.02832	6.4
146.03152	4.5
146.06079	3.8
147.11710	6.4
149.13237	8.2
151.11180	20.3
151.14806	6.1
168.13882	6.4
171.60785	3.6
175.14850	35.5
176.79527	3.7
193.15871	55.8
203.05228	15.1
230.15279	4.6
236.16560	21.7
257.04395	4.7
269.04233	4.0
287.05664	3.8
294.13083	3.2
328.21140	6.7
346.22250	100.0
365.11951	3.9
373.29654	3.4
390.24802	16.7
408.16949	3.6
408.23941	9.9
409.09372	10.3
409.18274	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	408.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02280	1.8
54.33272	1.7
55.05507	2.5
56.96564	38.6
61.88432	2.4
67.05496	4.6
71.58872	2.5
71.95280	2.8
72.92807	1.9
79.05479	2.3
81.03428	2.7
81.07065	2.9
83.08627	2.7
84.96027	2.3
89.53717	1.8
91.05475	4.8
95.08605	3.1
97.10152	1.8
106.06508	2.7
109.10157	2.2
109.87912	1.9
125.37906	2.2
141.02223	2.6
146.99712	3.1
159.03397	3.2
171.03320	3.6
173.04863	3.8
174.69995	2.0
189.04379	8.4
197.04910	3.4
199.06451	10.5
203.05960	4.5
209.04735	2.7
213.08028	6.5
215.05894	2.0
217.07477	23.1
222.07834	2.3
223.06358	4.3
229.07477	5.5
231.09024	7.4
235.06425	2.2
235.08539	2.7
241.07455	24.9
247.08611	5.1
253.07477	8.6
255.08994	3.3
257.10571	2.4
259.08521	34.7
267.09082	2.6
269.10632	2.6
271.08591	7.4
277.09589	8.2
282.10147	5.7
331.15665	10.6
349.16824	52.5
350.17413	3.0
367.17932	100.0
368.18311	5.2
372.18192	2.8
385.18951	57.1
386.18878	3.8
390.19589	11.1
403.20187	2.6
408.20056	5.6
408.24551	28.0
408.35785	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	407.279
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
53.03942	6.8
55.01861	7.0
55.05515	40.5
67.05508	64.0
69.03432	11.0
69.07067	25.9
71.04981	8.4
71.08618	5.1
71.33137	11.2
77.38770	5.1
78.28718	5.4
79.05489	56.5
81.07059	63.9
83.04965	10.1
83.08620	24.2
91.05483	79.5
93.07058	58.5
94.06565	7.8
95.04978	11.5
95.08615	45.7
97.10186	14.6
105.07035	100.0
105.88233	6.0
107.08587	26.9
109.06494	8.3
109.10167	20.6
117.07004	31.1
119.01898	10.8
119.08586	57.5
121.06504	6.1
121.08499	5.4
121.10151	17.2
125.09567	5.5
127.03893	8.3
129.07022	19.5
129.21034	6.0
131.08574	53.7
133.06490	6.0
133.10132	43.2
135.11707	8.7
141.07074	7.8
143.08578	16.7
145.10124	33.6
149.09659	8.2
155.08522	9.6
157.10135	17.6
159.11742	15.3
169.10162	12.4
171.11725	9.0
173.13289	8.5
175.15009	6.1
179.02219	6.0
181.10144	7.0
188.03899	6.9
197.13345	6.7
202.12247	7.1
203.12685	11.4
222.15010	5.8
233.92711	5.5
247.16934	9.8
251.00323	12.9
252.00598	21.1
252.99908	69.6
273.18445	8.5
301.97217	5.3
325.25369	7.5
327.27435	6.1
335.23663	11.7
339.03784	8.7
343.26236	12.8
353.24826	31.7
368.03235	6.5
371.25894	47.3
389.21658	45.1
389.26761	93.0
390.26862	10.6
407.07504	10.1
407.26242	65.2
408.06616	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	407.2791
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.00296	1.3
53.03943	6.6
55.01878	14.3
55.05510	34.2
57.03435	7.6
57.07072	11.3
64.71530	1.3
65.03928	3.3
67.05503	86.2
69.03427	32.0
69.07066	36.3
69.36945	14.8
71.01360	2.9
71.04987	9.3
71.08623	9.1
73.02905	3.7
79.05490	55.9
81.03417	30.6
81.03867	2.9
81.07054	100.0
83.04977	17.1
83.08617	16.0
85.02916	8.0
85.06544	4.7
85.10177	3.4
91.05478	60.9
92.05782	1.6
93.06573	0.9
93.07040	65.4
95.04964	22.8
95.08603	67.9
97.02879	11.7
97.06526	6.2
97.10177	8.0
98.53029	2.0
99.04467	7.9
99.08099	5.3
103.05450	4.2
105.07028	61.5
107.04939	10.9
107.08595	37.6
109.02888	4.7
109.06525	11.9
109.10155	27.7
111.04420	8.0
111.08090	3.9
113.06039	2.5
113.09669	1.7
115.03963	3.0
115.05431	2.8
117.07016	22.5
117.99574	1.5
119.04948	2.2
119.08575	37.6
121.06497	12.9
121.10146	23.9
123.04423	4.3
123.08070	6.9
123.11714	10.3
123.42979	1.3
125.05951	2.2
125.09613	4.2
127.03917	4.2
128.06238	4.4
129.05496	6.2
129.07021	14.2
130.07779	3.3
131.08557	38.7
133.06476	7.8
133.10126	26.7
135.08051	4.3
135.11678	16.4
137.06012	2.2
137.09634	3.9
137.13261	5.6
139.11188	2.0
141.06989	4.3
142.07793	2.0
143.08542	13.0
145.06496	8.1
145.10112	24.5
147.08060	9.1
147.11690	16.8
149.09602	5.0
149.13252	6.9
151.11172	4.8
151.14847	3.8
153.12828	2.6
155.08578	5.5
157.06479	2.7
157.10133	10.6
159.08067	4.6
159.11664	12.3
161.09598	2.2
161.13234	13.5
163.07556	2.4
163.11295	2.6
163.14799	7.0
165.12796	4.1
167.08495	2.3
168.11157	1.5
169.10107	5.4
171.08043	3.7
171.11601	9.2
173.09653	2.8
173.13203	9.6
175.07524	1.8
175.11208	2.5
175.14819	9.6
177.12767	5.0
177.16423	3.4
179.14247	3.9
181.10129	2.7
183.11748	3.8
185.09653	3.0
185.13307	7.8
187.11168	3.7
187.14775	10.7
189.11249	1.7
189.12791	1.6
189.16409	5.5
191.14328	5.6
193.12228	1.8
193.15840	2.0
195.13835	3.3
197.13307	4.0
199.14883	4.9
201.12804	3.1
201.16386	4.7
203.10828	1.6
203.14305	4.3
203.17787	1.8
205.15912	3.1
207.13843	3.2
209.13356	1.8
211.14859	2.5
213.12779	1.9
213.16402	5.3
215.14313	3.6
217.15860	3.9
219.17351	1.6
227.14316	2.2
227.18007	2.5
229.15826	2.8
231.17397	2.3
233.15305	3.2
235.16911	1.7
237.16397	2.5
238.42154	1.5
243.21349	1.8
245.19144	1.6
245.22618	1.9
247.16911	2.0
255.17310	2.1
255.21127	1.9
257.22632	3.2
259.16876	2.5
261.22037	2.8
263.23709	2.4
267.20966	2.2
269.18918	1.5
269.22675	2.1
273.18567	2.1
273.22162	5.0
275.23694	5.6
277.18219	1.6
277.21390	1.5
279.23166	3.2
285.22153	2.9
287.16565	1.9
287.23715	6.3
289.25275	2.1
291.23151	6.7
293.24860	2.9
299.23657	4.0
301.18063	2.3
301.21582	2.3
301.25583	1.6
303.23145	12.4
305.24747	5.4
315.23172	6.0
317.24771	11.1
318.24826	2.0
321.24133	11.2
325.25305	2.9
329.24805	6.7
333.24243	5.3
335.23541	3.5
343.26178	7.6
347.25937	4.5
353.24786	12.7
361.27414	3.1
371.25772	36.3
372.26370	2.8
389.26883	27.8
407.27936	34.3
407.32919	2.8
408.28253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.2
56.96545	1.3
57.03417	1.4
67.05493	3.5
69.07070	1.7
70.30547	2.5
70.30968	3.3
77.44247	1.1
79.05460	1.8
81.07059	3.4
91.05492	2.5
93.07039	2.0
95.04967	1.2
95.08603	2.2
105.07043	1.8
107.04980	1.1
107.08557	1.8
109.10146	1.8
119.08531	1.2
131.08531	1.5
141.18820	1.1
166.68240	1.3
177.12567	1.2
225.17590	1.1
229.12263	4.7
268.52841	1.2
307.15347	2.3
341.86938	1.1
389.22961	62.7
407.24026	100.0
408.24213	3.3
414.43076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84914	0.4
55.05502	1.3
57.03434	5.5
57.07079	7.3
65.58888	0.6
67.05503	2.4
69.07067	1.2
70.27241	0.8
70.27644	1.4
71.08640	5.2
79.53924	0.4
81.07053	2.6
83.08622	1.3
83.53053	0.4
85.10197	2.4
85.32674	0.4
87.69402	0.4
95.08607	3.9
97.09566	0.5
97.10184	0.6
97.47096	0.4
109.10160	1.5
113.00017	100.0
123.11654	0.9
131.01045	1.4
139.01639	0.5
169.02611	90.4
172.69096	0.5
194.84575	0.5
239.23773	0.8
272.23083	0.5
369.52573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.1
68.99753	0.4
70.84016	0.7
70.84325	0.6
72.74870	0.4
79.05474	0.6
80.20742	0.4
81.07045	0.8
83.01346	1.2
85.40691	0.4
91.05479	1.2
93.07037	0.6
94.11430	0.5
95.08596	0.6
95.83260	0.5
105.07001	0.9
107.08617	0.6
117.06964	0.5
119.08575	0.8
139.03986	0.4
143.08426	0.5
145.10089	0.5
147.04408	0.8
159.07951	0.4
161.05963	1.2
173.09627	0.6
174.06667	0.7
175.03926	0.5
175.07529	0.8
177.05481	1.2
177.09154	1.2
186.06779	0.5
189.09105	1.8
197.06172	0.4
199.07532	1.3
201.09119	4.1
203.07190	1.1
205.08589	0.6
207.10275	0.6
213.05624	0.5
218.77237	0.5
219.06830	0.5
219.10181	4.5
264.43265	0.5
271.13943	0.5
281.08057	1.0
295.06158	0.4
295.09442	0.5
295.15219	0.5
301.29507	0.5
309.07523	1.6
309.10947	0.6
309.16666	2.0
318.08600	0.5
323.13052	0.7
325.16071	0.8
333.11389	0.6
351.12296	5.9
365.13748	1.6
407.18665	9.5
407.23996	100.0
408.18896	1.2
408.24188	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.0
57.03414	0.7
61.02933	1.2
67.05510	1.7
69.07060	1.2
69.51982	3.6
69.52396	1.2
69.97013	0.5
74.81036	0.5
79.05489	1.4
81.07053	1.7
85.02911	0.7
85.39642	0.6
91.05473	1.4
93.07012	1.0
95.08607	0.7
97.07706	0.6
107.08614	1.0
119.08575	1.0
120.20196	0.6
129.07097	0.6
129.36780	0.6
131.08521	1.0
138.38824	0.6
158.49307	0.6
159.11739	0.5
237.77055	0.5
238.09692	0.6
241.07428	0.8
256.23755	0.6
259.08545	1.5
267.09113	1.1
275.36322	0.6
284.12726	0.7
285.10077	1.9
286.65009	0.7
295.15280	1.4
300.37711	0.6
309.16736	1.8
333.19876	0.6
349.16803	1.1
407.24033	100.0
408.24408	3.2
412.33212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2223
Annotation	Icacine
Peak:m/z	Relative Intensity
53.03927	0.9
55.01859	2.8
55.05273	0.9
55.05512	10.5
56.96568	4.3
56.96795	0.7
57.03436	1.1
57.07066	0.6
61.02919	1.1
67.05508	4.2
69.03421	4.9
69.07056	2.5
69.48131	5.4
70.06583	1.2
71.08641	0.7
73.02928	1.1
77.30590	0.6
78.81846	0.6
79.05485	5.7
79.16995	0.5
81.03407	1.6
81.07059	4.2
83.04956	1.1
83.08629	4.9
84.04519	1.0
85.02895	1.1
86.06067	4.3
87.04460	0.8
91.03985	0.7
91.05457	3.1
93.07032	2.8
95.04948	1.3
95.08605	1.2
97.02908	1.2
97.06525	0.7
97.10171	8.7
98.06075	0.9
103.05482	0.9
105.07038	12.5
107.04974	1.1
107.08578	3.0
109.02866	0.6
109.06552	1.0
109.10174	0.6
115.05476	1.5
119.08575	1.0
120.08101	1.4
121.06533	1.1
122.06028	0.9
122.09622	0.8
125.09618	4.8
127.03921	0.6
130.06580	0.8
131.08575	0.9
133.06490	9.2
135.08083	1.2
145.10107	1.2
146.09621	0.7
148.07564	3.1
148.11174	0.7
149.08345	0.7
150.09123	2.4
158.06807	0.7
162.09155	3.1
172.11226	2.4
173.09599	0.7
174.09235	0.8
176.07159	0.8
176.10715	0.8
177.00821	0.8
189.11201	3.1
190.12273	8.2
190.54901	0.6
190.56854	0.6
200.10732	7.2
213.11488	0.8
217.07677	0.6
218.11765	100.0
219.12175	3.2
229.07516	0.9
236.12804	15.4
255.08917	0.8
256.26334	0.7
257.06940	0.9
259.08524	1.5
267.08981	1.1
285.10138	1.4
300.28903	1.8
301.09750	1.3
328.45044	0.6
347.15427	1.1
365.16425	1.7
367.18027	0.8
406.22766	3.3
406.35287	6.6
407.18747	0.9
407.23901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
56.96564	45.9
60.30769	2.2
66.16196	2.0
67.05505	3.4
69.07050	2.4
69.74091	16.9
71.95250	5.9
73.88638	2.4
74.97603	2.9
81.03426	2.8
81.07032	4.8
84.04464	2.5
90.88702	2.3
91.05495	4.5
91.58400	2.2
93.07013	2.6
95.08591	3.5
98.20765	2.6
98.97474	2.6
105.06975	2.1
106.07390	2.3
115.00639	3.1
116.98582	2.7
122.60428	2.1
134.05968	2.7
146.99660	6.1
159.03299	3.0
169.01669	2.7
171.03313	6.4
175.02849	3.3
185.04930	3.7
189.04369	10.1
191.05818	3.0
197.04874	6.5
199.06468	15.5
201.04315	3.2
203.05943	4.5
211.06377	2.4
213.08069	6.3
215.05946	2.4
217.07489	29.6
223.06429	5.7
225.08064	2.8
227.06050	2.9
229.07411	6.6
231.09041	13.4
235.06395	5.6
237.07956	4.0
241.07462	34.1
243.09032	2.7
247.08467	5.7
253.07486	10.2
255.09120	8.1
259.08575	58.6
259.11105	5.0
267.09033	4.0
271.08603	8.8
273.10162	3.8
277.09573	13.8
277.28235	2.5
282.10114	8.7
303.16006	2.5
329.14203	13.4
347.15283	76.0
365.16339	100.0
383.17404	63.6
388.18069	14.7
401.18411	4.1
406.18661	8.9
406.22968	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	406.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
57.07075	1.1
59.17753	0.6
67.05495	2.5
69.03427	1.1
69.07058	1.2
69.59776	1.4
69.60187	3.4
70.02947	1.2
70.07371	0.7
79.05478	2.0
81.07058	2.7
82.07394	0.8
91.05479	2.7
93.07044	2.0
94.07355	0.8
95.08577	1.5
97.02896	0.6
98.20796	0.6
105.06998	1.6
106.07342	0.6
107.08582	1.1
108.08907	0.5
109.10126	1.0
112.72327	0.5
117.07054	0.7
118.07362	0.5
119.08569	1.7
121.10149	1.0
128.06223	0.6
129.07074	0.7
131.08516	0.8
132.08853	0.9
133.06464	0.9
133.10115	0.9
135.11694	0.8
141.01465	100.0
142.01817	1.5
143.08562	1.3
145.10132	1.1
146.10527	0.6
177.09187	1.2
177.12793	1.6
188.03889	1.5
203.14394	0.9
220.16982	0.8
223.00847	0.9
233.07539	0.6
251.00255	10.3
252.00560	0.8
256.26456	1.2
264.98227	0.7
279.02533	0.5
316.23895	0.8
337.03717	1.3
351.18530	0.6
352.23651	0.6
361.16095	1.9
370.24689	1.6
388.25613	1.7
406.07236	1.8
406.26544	3.9
406.32190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
56.05046	1.2
57.03447	0.9
61.02937	1.2
69.03435	2.4
69.07097	1.3
70.06589	1.3
70.57040	3.1
73.16903	0.8
76.02232	1.8
79.05489	1.9
79.90595	0.8
81.03398	1.2
81.07055	3.7
84.04507	3.0
85.02898	8.2
86.99036	0.9
87.02681	1.1
91.03910	1.1
91.05480	2.0
95.04988	1.1
97.02888	3.9
97.10183	1.6
98.09669	1.1
99.04459	0.9
105.07046	1.8
107.04950	2.4
107.08562	0.9
109.02887	1.3
116.01666	2.4
121.10172	1.0
122.13385	1.0
125.05995	3.2
127.03941	1.3
129.07890	1.0
137.06006	1.5
141.05464	1.8
145.04979	1.8
153.05472	100.0
154.05789	2.4
155.03551	0.8
156.08372	1.5
156.10252	1.1
157.06654	0.9
162.02156	1.8
163.03932	0.9
167.07066	5.7
168.07381	2.7
169.23476	0.9
174.09377	0.9
174.28954	0.8
195.06544	82.2
196.06844	1.8
207.14299	0.9
213.07576	0.9
216.98038	0.9
227.09196	9.6
244.07314	1.0
259.11102	8.1
406.17538	1.6
407.14142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.1
55.01862	4.2
55.05506	3.0
56.05037	9.2
57.03434	6.7
57.21151	0.8
58.99585	16.5
68.05028	1.2
69.07070	1.0
69.51244	0.9
70.05104	1.6
70.05499	2.8
73.01141	2.3
74.00652	2.5
75.37240	0.9
76.02229	29.7
76.03999	2.8
79.05490	7.2
80.05010	1.1
80.63229	0.9
81.06580	1.7
81.07055	24.7
83.06089	2.8
84.04504	32.7
85.01126	4.5
86.00653	5.0
86.99055	9.2
87.02689	8.0
88.02216	2.1
93.07002	1.4
94.06579	1.2
95.08603	5.0
96.08131	1.3
97.01109	1.1
97.06506	2.3
98.09690	15.7
98.21412	1.0
99.05610	1.2
99.08096	4.6
102.05533	6.2
105.07009	2.7
108.08121	1.2
110.09656	2.5
112.03954	4.8
113.04225	8.8
114.03767	1.4
115.05781	2.5
116.01679	29.3
117.18588	0.9
122.09652	2.6
123.08066	2.0
127.05767	1.3
129.06569	3.4
130.04993	9.9
130.06862	5.9
130.08633	2.7
138.85016	1.0
139.05754	3.3
142.03215	2.4
142.04988	1.0
143.02783	1.7
144.00153	0.8
144.01163	10.4
145.06038	1.6
156.07127	1.5
156.08415	24.0
156.10187	13.7
157.06830	9.5
162.02194	26.7
174.09477	15.7
179.04846	10.0
189.03296	1.3
210.11256	3.8
213.14116	0.8
215.04910	1.2
216.06920	6.7
233.05936	2.6
242.08466	1.3
245.05869	1.7
259.11115	100.0
260.09238	1.1
260.11649	1.2
285.12582	1.3
291.06378	1.3
313.12076	5.5
331.13235	6.3
376.61530	0.9
388.15317	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2632
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
50.26714	5.1
53.03933	13.0
55.01859	14.5
55.05513	39.0
57.03426	15.7
65.03931	13.4
67.05503	100.0
69.03423	37.3
69.07065	35.2
71.05000	15.1
71.59103	6.3
79.05495	87.9
80.58834	5.1
81.03423	21.8
81.06593	5.6
81.07052	87.9
83.04974	29.3
83.08621	26.6
85.02889	9.9
87.04453	6.1
88.44564	5.6
91.05477	88.2
93.07047	88.9
95.04969	24.1
95.08616	66.4
97.02872	13.0
97.06519	10.4
97.10174	14.0
99.04441	8.6
103.05426	6.8
105.07027	85.4
106.41433	5.2
107.04948	14.8
107.08587	56.4
109.06508	19.7
109.10117	25.8
111.04428	8.4
111.08054	6.6
115.05479	5.3
117.07017	42.1
119.08565	63.3
121.06489	11.3
121.10140	35.8
123.08098	8.6
123.11697	13.5
127.03896	9.9
128.06155	7.2
129.07027	36.1
131.08574	61.6
133.06496	12.9
133.10139	33.3
135.08051	15.0
135.11684	23.0
137.09610	8.0
141.06984	8.5
142.07745	7.7
143.08527	24.1
145.06494	8.2
145.10110	47.4
147.08032	8.5
147.11691	34.5
149.09616	12.6
149.13232	16.2
155.08566	18.4
157.06522	6.7
157.10109	22.7
159.08032	9.2
159.11720	28.6
161.09695	10.1
161.13278	13.6
163.11191	7.3
163.14763	7.0
169.10120	16.3
171.11697	16.1
173.13242	22.0
175.11183	10.7
175.14761	9.5
177.09088	6.6
183.11642	13.5
185.13249	20.7
187.11266	7.7
187.14790	10.0
189.12737	10.6
197.13246	10.2
199.11201	7.6
199.14728	7.1
215.14333	8.2
227.14287	6.9
232.91359	6.9
259.20596	6.5
277.21637	8.3
285.21915	8.3
289.21643	12.0
291.23166	6.6
301.21594	17.5
303.23141	9.8
313.21497	7.5
315.23245	9.5
319.22726	7.9
327.23303	6.4
341.24716	11.5
345.24341	7.4
359.25861	8.2
369.24286	39.2
387.25305	35.6
405.26282	83.8
405.30896	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	405.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29610	4.0
53.03954	7.9
55.01880	5.8
55.05513	43.8
65.03935	4.4
67.05508	71.3
69.07074	35.8
70.07262	10.9
70.07667	8.0
71.04995	9.4
79.05496	61.1
79.05956	4.3
81.07059	75.1
83.04974	10.2
83.08617	33.1
85.06548	6.0
88.05168	3.4
91.05482	84.2
93.07039	68.6
95.04964	14.7
95.08609	45.0
97.06538	10.6
97.10163	11.1
105.07035	73.0
105.07557	1.9
107.04965	9.0
107.08591	29.0
109.06525	8.1
109.10154	14.0
109.57679	3.1
110.55224	3.1
111.08098	10.0
115.05454	5.9
116.06265	4.3
117.07024	58.8
119.08586	34.4
121.06509	5.9
121.10143	23.7
123.08086	6.9
125.09604	5.9
128.06239	18.1
129.07011	65.7
131.08563	100.0
133.06438	9.5
133.10126	20.0
135.08075	12.5
135.11705	8.9
139.11186	7.7
141.07016	15.7
142.07774	6.9
143.08560	43.5
145.06467	8.7
145.10104	26.3
147.08026	10.4
147.11690	9.1
149.09602	14.4
153.07005	6.4
155.08562	31.8
157.06424	6.2
157.10100	27.0
159.06592	2.8
159.08054	11.5
159.10562	3.1
159.11682	18.1
161.09618	4.0
161.13319	4.0
163.11240	5.2
165.06989	4.3
166.07790	3.0
167.08551	15.0
169.10138	12.6
171.11717	11.5
173.09726	3.6
173.13208	3.5
175.09680	4.9
175.11151	4.2
177.12802	6.1
179.08632	5.6
181.10121	21.8
183.11728	15.2
185.09618	6.4
185.13223	9.6
187.11285	4.7
193.10023	4.2
195.11708	12.5
195.13405	4.1
197.13223	7.5
199.11209	5.6
199.14874	6.7
203.10779	4.6
203.12714	4.2
203.78552	3.3
205.08566	6.5
205.12340	3.6
207.11778	3.8
209.13257	10.1
211.14786	8.0
213.12735	4.4
213.16487	4.8
215.14294	3.6
221.13283	12.5
223.14851	16.8
225.12746	5.2
233.15288	15.2
235.14871	9.1
237.16360	3.8
239.14278	6.9
241.15865	6.7
243.41318	3.5
253.15892	6.0
257.15421	7.8
259.17032	6.7
271.16904	11.5
272.75452	3.1
277.99869	3.0
285.18469	4.5
320.69308	3.2
323.23801	9.8
325.91202	3.6
333.22211	16.2
341.24786	11.5
351.23294	38.3
359.25845	5.7
369.24252	26.5
387.25427	34.8
405.26318	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	405.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26714	5.1
53.03933	13.0
55.01859	14.5
55.05513	39.0
57.03426	15.7
65.03931	13.4
67.05503	100.0
69.03423	37.3
69.07065	35.2
71.05000	15.1
71.59103	6.3
79.05495	87.9
80.58834	5.1
81.03423	21.8
81.06593	5.6
81.07052	87.9
83.04974	29.3
83.08621	26.6
85.02889	9.9
87.04453	6.1
88.44564	5.6
91.05477	88.2
93.07047	88.9
95.04969	24.1
95.08616	66.4
97.02872	13.0
97.06519	10.4
97.10174	14.0
99.04441	8.6
103.05426	6.8
105.07027	85.4
106.41433	5.2
107.04948	14.8
107.08587	56.4
109.06508	19.7
109.10117	25.8
111.04428	8.4
111.08054	6.6
115.05479	5.3
117.07017	42.1
119.08565	63.3
121.06489	11.3
121.10140	35.8
123.08098	8.6
123.11697	13.5
127.03896	9.9
128.06155	7.2
129.07027	36.1
131.08574	61.6
133.06496	12.9
133.10139	33.3
135.08051	15.0
135.11684	23.0
137.09610	8.0
141.06984	8.5
142.07745	7.7
143.08527	24.1
145.06494	8.2
145.10110	47.4
147.08032	8.5
147.11691	34.5
149.09616	12.6
149.13232	16.2
155.08566	18.4
157.06522	6.7
157.10109	22.7
159.08032	9.2
159.11720	28.6
161.09695	10.1
161.13278	13.6
163.11191	7.3
163.14763	7.0
169.10120	16.3
171.11697	16.1
173.13242	22.0
175.11183	10.7
175.14761	9.5
177.09088	6.6
183.11642	13.5
185.13249	20.7
187.11266	7.7
187.14790	10.0
189.12737	10.6
197.13246	10.2
199.11201	7.6
199.14728	7.1
215.14333	8.2
227.14287	6.9
232.91359	6.9
259.20596	6.5
277.21637	8.3
285.21915	8.3
289.21643	12.0
291.23166	6.6
301.21594	17.5
303.23141	9.8
313.21497	7.5
315.23245	9.5
319.22726	7.9
327.23303	6.4
341.24716	11.5
345.24341	7.4
359.25861	8.2
369.24286	39.2
387.25305	35.6
405.26282	83.8
405.30896	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	405.2247
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
56.96565	0.8
63.82024	0.6
64.89695	0.6
66.48981	0.6
67.05485	1.4
76.71989	0.6
81.07081	0.9
83.08592	0.7
90.93349	0.7
98.97591	2.0
105.06973	0.8
116.98613	2.3
121.76684	0.7
134.99666	2.8
137.05972	1.4
218.11819	1.3
219.01114	0.7
229.29379	0.8
235.02734	0.7
249.23494	0.6
253.03885	2.7
254.04160	2.4
405.18109	3.8
405.22479	100.0
406.22864	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	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53003	0.8
53.03925	1.2
53.90557	0.8
55.01840	0.8
55.05495	3.3
57.03434	0.9
57.76917	0.9
67.05494	4.6
69.03420	1.1
69.07048	2.4
69.43492	8.1
79.05478	3.6
81.03418	1.3
81.07051	4.5
83.08617	1.3
85.02885	1.1
91.05463	3.6
93.07068	4.1
95.04954	1.7
95.08585	3.0
97.02853	1.0
101.38436	0.9
105.07024	3.1
107.08566	2.2
109.06522	1.2
109.10165	2.0
110.07124	0.8
117.06974	1.2
119.08553	2.1
121.10117	1.7
129.06950	2.0
131.08522	2.1
133.10121	1.6
141.00984	2.0
145.10152	1.9
147.11670	0.9
152.06241	4.7
153.06981	3.8
155.08432	1.0
157.10149	1.0
159.11737	0.8
161.13242	1.2
164.03918	1.1
165.05751	0.9
169.10225	1.0
173.13167	0.8
173.14882	0.8
181.06519	2.5
187.03087	1.7
188.03864	12.9
189.10994	0.8
215.02577	2.3
223.00752	6.9
251.00259	100.0
276.92941	0.8
280.91364	0.8
291.03375	2.6
307.15121	1.6
317.38052	0.8
335.14771	1.3
337.03940	9.5
341.38626	0.8
369.24390	1.7
387.21347	25.6
387.24786	1.3
388.21640	2.1
405.22382	50.4
406.07214	18.4
406.22720	2.4
414.04813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.1
63.06408	1.2
63.81543	1.3
66.74718	1.5
67.05493	4.6
69.03432	1.3
69.07053	3.3
71.04336	3.0
78.40729	1.3
79.05476	2.5
81.03424	1.6
81.07047	4.0
85.02893	1.6
91.05487	3.3
93.07025	3.1
94.91248	1.2
95.08589	3.0
96.01854	1.2
97.02783	1.3
105.07010	3.1
107.08593	3.3
109.10120	2.4
119.08595	2.5
129.06989	1.6
133.10135	2.5
135.11734	2.6
145.10249	2.1
147.11560	1.5
307.15134	4.7
331.26190	6.2
335.14676	1.7
387.21396	61.9
388.21780	4.8
405.22461	100.0
406.23016	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	405.225
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05506	0.6
56.96576	0.5
61.42798	0.5
67.05496	1.0
69.07051	1.2
71.59764	0.8
79.05492	1.1
80.94667	0.4
81.07043	1.3
85.02915	0.6
91.05481	1.4
93.07006	0.8
94.17384	0.5
95.08591	1.2
105.07040	1.0
106.87296	0.5
107.08601	0.9
111.00603	0.4
119.08564	0.8
131.08519	0.6
133.10172	0.6
135.08043	0.8
167.07126	0.6
181.05069	0.6
199.07489	0.7
259.11185	0.6
269.13571	1.6
273.10840	0.6
275.32925	0.5
394.43823	0.6
405.22470	100.0
406.22784	6.5
420.27246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2246
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
56.96550	0.6
67.05496	0.7
70.30154	1.8
79.05488	0.9
81.07074	1.0
89.61401	0.5
91.05461	0.8
93.07037	1.1
106.59055	0.5
119.08579	0.8
137.05988	0.6
153.36845	0.4
167.07010	0.4
223.25140	0.5
269.13620	1.6
331.18716	1.0
405.22488	100.0
405.27029	4.1
406.22809	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1544
Annotation	Nitidanin
Peak:m/z	Relative Intensity
53.03943	2.6
55.01868	6.0
55.05517	4.3
57.03435	3.0
63.92828	2.2
65.03949	8.8
67.05503	7.9
69.03421	10.8
69.07053	2.7
70.06603	3.4
71.05000	3.5
71.59384	3.9
76.02266	2.0
78.04688	3.2
79.05488	18.1
81.03426	7.0
81.07066	9.9
83.04979	3.3
84.04504	3.1
85.02896	11.5
86.09696	3.7
91.05457	11.3
93.07043	6.5
94.04179	3.1
95.04959	5.7
95.08601	3.2
97.02892	3.1
97.06561	5.2
98.06073	2.6
98.97585	3.2
99.04458	6.2
103.05476	9.7
105.07031	12.4
106.04160	2.9
107.04964	27.1
107.08612	4.0
109.02847	2.5
109.06509	4.4
109.10209	2.3
110.03665	3.3
110.07211	3.0
111.04445	4.7
115.05470	8.5
116.98679	2.8
117.07018	8.3
119.04914	3.5
119.08615	3.8
119.97477	2.0
121.06482	5.8
121.10159	2.3
122.03662	8.2
123.04457	12.6
124.05215	5.1
125.06010	5.6
127.03931	3.3
129.07013	9.7
131.04953	9.1
133.06479	11.1
133.10123	5.0
135.04364	3.8
137.02254	2.0
137.05977	75.3
138.03139	2.6
138.06389	2.6
139.03937	7.5
141.05473	2.3
141.06960	3.0
143.04955	5.9
143.08572	4.0
144.05728	4.4
145.06464	19.8
147.04427	6.3
147.08118	3.4
147.11642	2.9
149.05998	5.3
151.03912	21.2
151.04982	3.9
151.07524	4.6
153.05492	6.2
157.06448	11.3
157.08661	3.9
157.10022	3.0
158.99622	2.9
159.06577	2.4
159.08069	4.2
160.05219	4.9
161.06003	21.6
163.03830	4.0
163.07538	10.7
165.05487	4.2
166.02679	3.0
167.03416	4.3
167.07050	100.0
171.04422	5.1
171.06567	3.6
172.05165	11.6
173.05977	10.9
175.07541	8.4
177.05434	4.0
177.09114	3.2
179.07068	3.9
181.04962	90.0
181.08470	3.7
185.06012	2.6
187.07553	6.3
188.03442	2.7
189.05484	15.1
189.09108	5.0
190.06270	5.2
191.07034	6.5
193.05008	2.1
193.08652	10.8
195.06566	9.0
201.05455	4.6
203.06993	16.6
205.08597	14.1
206.05780	6.1
207.26669	2.3
213.05511	3.0
215.06975	2.5
217.08633	3.7
218.05771	11.9
219.06363	4.2
219.10062	2.4
221.08043	18.9
222.03993	5.9
227.07129	2.3
233.08080	75.0
235.07506	3.6
235.09612	6.4
240.04242	2.3
247.07593	3.4
249.09058	2.7
251.09151	11.0
255.06439	5.3
259.11057	7.4
263.09161	8.4
265.08752	4.4
277.08792	2.8
279.06601	2.6
297.11172	3.4
301.07126	27.1
309.11301	3.9
315.08557	4.9
316.09433	17.4
337.10718	6.0
341.13861	3.2
355.09464	3.7
357.13409	9.9
369.13297	4.8
375.14471	10.4
387.09378	4.4
387.14365	83.1
388.14496	3.9
405.15366	11.3
405.20413	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	405.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48071	0.8
52.41761	0.7
53.03934	3.1
53.58771	0.8
55.01859	2.1
55.05521	1.1
56.05030	1.3
56.96518	1.2
57.03436	7.0
58.99589	2.0
61.02929	5.0
67.05495	1.3
68.99794	2.1
69.03430	16.5
70.06586	1.7
71.04981	2.2
71.59059	1.3
72.08124	1.3
73.02895	2.9
75.04490	1.7
75.38813	1.0
76.02199	1.1
81.03422	12.8
81.07038	3.2
83.04947	1.3
84.04498	2.2
84.08136	1.3
85.02908	57.0
86.99065	0.9
87.04433	1.9
91.03920	2.7
91.05478	1.2
92.33832	0.8
95.04987	1.6
97.02288	1.2
97.02893	16.0
99.04446	4.0
103.03914	2.7
109.02888	22.0
111.00790	5.7
111.04415	1.7
116.01643	2.3
117.05499	2.7
119.08561	1.1
123.04469	2.2
126.03146	13.3
127.03938	16.1
127.04930	1.5
128.04260	0.9
132.52444	0.8
141.05473	43.8
145.04968	15.1
152.55426	0.9
153.05428	1.0
154.02602	1.1
155.03358	1.1
155.07214	1.3
156.08360	2.1
156.10249	2.1
157.06769	1.1
157.08374	1.4
163.03883	1.0
163.06026	2.2
167.07043	3.6
169.04973	100.0
174.09346	0.9
201.07745	1.5
211.06015	3.7
243.08618	1.3
243.13458	1.0
244.05890	1.0
246.94572	1.0
258.09924	1.4
259.11182	5.5
319.13724	2.7
329.39395	0.9
345.11835	1.0
361.14685	13.5
405.13519	11.4
406.10907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64212	8.5
55.01885	11.0
55.05513	63.9
56.96549	16.3
57.03444	16.9
57.08040	8.4
63.97525	9.7
67.05508	100.0
69.03435	14.8
69.07055	33.9
70.19432	23.1
70.19822	18.5
71.08634	25.2
79.05484	66.0
81.03445	12.6
81.07042	77.7
83.04971	18.4
83.08615	24.4
91.05495	54.5
93.07051	90.5
95.04973	26.7
95.08618	51.6
97.02891	12.6
97.10173	29.0
99.08086	31.9
105.07031	56.3
107.08588	43.8
109.06573	11.9
109.10178	15.7
111.04457	9.5
116.46182	10.3
117.07010	24.6
119.08573	34.7
121.06528	11.1
121.10144	23.6
125.09636	22.5
127.08841	10.7
129.07013	26.9
131.08575	39.7
133.10107	24.1
135.11699	16.2
143.08566	16.4
145.06589	9.5
145.10155	20.8
147.11700	19.2
149.13251	13.4
151.11232	18.8
159.11708	17.4
161.13293	23.4
163.11159	13.9
171.11711	12.1
173.11652	16.2
177.12766	15.5
189.11243	24.3
216.14702	18.5
233.22878	10.0
242.28027	9.5
269.17502	42.5
277.21719	17.5
286.20361	16.2
313.24973	9.5
333.29468	9.2
335.11499	12.0
341.24646	10.8
351.25339	27.2
369.24268	23.0
387.25195	22.6
404.25119	14.4
405.21878	14.7
405.26633	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	90.2
67.05499	80.6
67.72628	23.5
69.07077	32.5
70.53583	26.6
70.53928	83.8
71.08645	34.0
72.67589	23.1
79.05491	94.9
79.80324	26.0
81.07052	100.0
83.04965	22.9
83.08589	43.3
91.05492	65.5
93.07045	68.6
95.08593	58.8
97.10177	45.9
99.08092	30.5
105.07021	43.6
107.08582	46.1
109.10188	32.8
111.24986	23.4
119.08559	56.6
125.09619	37.2
131.08575	30.8
133.10155	36.7
145.10136	25.9
186.94382	25.4
268.19275	25.5
274.18866	26.0
405.22455	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12945	0.6
54.98633	0.8
55.05504	0.8
56.96566	17.6
59.14036	0.7
69.07031	0.9
69.44645	6.5
71.95243	1.1
79.05480	1.2
81.07013	0.9
84.96029	0.6
91.05402	0.8
93.07008	1.1
94.04173	1.2
95.08595	1.7
98.97585	41.8
107.08614	1.4
116.98624	62.6
122.03640	5.4
123.11666	1.0
126.78791	0.7
134.06012	0.8
134.99661	64.2
135.99918	0.9
137.05981	49.2
138.06367	0.8
140.00191	3.7
150.61368	0.8
153.00713	16.0
158.01292	6.8
158.24129	0.8
163.06264	1.4
164.07082	1.0
174.23512	0.7
176.02312	1.1
176.07071	1.0
179.00079	1.2
197.01274	4.2
198.02016	1.4
208.09953	0.7
211.02823	1.7
215.02306	1.8
220.00452	1.4
224.09535	1.8
226.11134	13.9
229.03815	0.8
235.02763	42.4
236.03035	0.8
236.56557	0.7
238.01511	3.6
241.03734	0.8
242.10562	1.2
244.12204	13.3
253.03848	100.0
254.04289	1.5
267.13782	1.7
268.12338	3.9
271.04913	7.0
271.17023	0.8
276.05460	15.6
277.05618	0.8
280.12271	2.2
286.13306	1.6
329.13153	0.9
344.15234	6.9
362.16510	3.3
404.17447	54.2
404.32281	6.8
405.17697	1.5
405.22449	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	404.153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86201	0.8
65.03900	0.6
69.03423	1.7
71.58054	1.2
71.81453	0.7
78.40691	0.7
83.04958	0.6
85.02915	2.2
95.76350	0.6
97.02898	0.7
98.97578	0.7
110.06030	3.4
110.15434	0.7
111.04456	2.0
121.02894	0.7
123.04462	1.3
134.05992	0.8
139.03926	1.1
145.82854	0.6
149.02333	1.3
152.07100	0.7
163.03864	1.0
169.04933	0.7
171.06317	0.8
173.03076	0.8
198.49422	0.7
202.09286	1.1
214.12018	0.6
220.10280	1.3
221.04945	1.3
225.42725	0.8
242.09993	5.3
275.09811	1.2
287.11078	9.5
305.10956	1.0
333.11661	2.6
404.15274	100.0
405.15585	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
57.03435	5.5
61.02920	5.0
61.08649	1.3
61.58540	1.4
65.03948	1.7
69.03426	18.3
69.83511	1.8
71.05011	1.8
71.58683	1.4
79.05493	3.3
81.03446	3.5
84.04515	1.7
85.02908	21.8
87.04473	6.3
91.03940	2.1
92.05011	2.7
95.04945	2.5
96.04523	1.6
97.02891	14.3
99.04443	1.9
102.00106	3.9
106.06557	18.3
109.02871	2.3
109.05222	8.1
110.06047	100.0
111.04480	1.5
115.03957	8.4
116.57378	1.5
117.03440	1.7
121.50794	1.6
122.06034	7.1
123.04408	1.9
124.03980	7.0
127.03916	5.1
133.04991	6.6
134.06035	21.8
138.05499	2.8
141.05479	1.5
143.56454	1.5
145.04947	4.1
146.05988	3.0
148.07523	2.1
151.86299	1.5
152.07071	33.1
153.05438	1.9
154.06841	3.6
156.06587	1.7
163.03880	2.4
169.04974	4.2
170.02628	1.8
170.89925	1.4
172.07910	2.3
176.07088	3.5
177.05486	4.3
185.03867	1.9
188.07164	2.6
200.07390	7.5
236.09250	2.0
242.10249	15.8
254.10265	3.0
257.09592	5.7
272.11270	8.4
279.80548	1.5
314.12247	2.1
404.15640	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	404.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.1
56.05023	2.2
57.97672	1.9
58.99581	18.6
67.05502	4.2
69.07062	4.2
69.55249	16.5
76.02222	100.0
76.03993	2.6
79.05476	11.7
80.05045	2.4
84.04500	39.9
85.02930	2.3
86.09698	2.8
86.99056	5.2
97.06522	91.9
102.05585	2.1
114.09190	2.1
116.01664	26.8
116.02401	3.0
121.02853	2.2
123.04424	3.3
130.04994	23.2
134.09596	2.5
135.10005	3.5
137.91313	2.3
138.05481	2.1
142.03194	13.2
144.01132	7.7
145.02835	2.7
147.04411	2.4
153.05531	2.0
162.02197	44.1
163.03941	4.5
170.02736	4.7
177.05515	3.3
179.04840	65.4
185.03795	4.2
197.12978	2.9
204.52211	1.9
215.04889	4.0
233.05919	20.6
242.15816	3.1
284.88300	2.5
287.10898	2.1
291.06461	5.1
308.09079	18.2
404.15228	11.4
416.57553	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	403.9833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	24.1
71.56963	1.5
71.95249	3.2
72.38956	1.4
79.71100	1.5
86.00632	1.3
97.02878	1.6
98.97578	28.9
99.97911	2.2
105.78232	1.3
116.98615	37.4
117.98933	1.8
119.01942	8.2
120.01972	1.3
120.97890	1.5
134.99657	66.5
137.01968	1.3
137.02953	5.3
138.98891	2.1
140.00204	2.0
140.04301	1.5
153.00720	14.1
158.01245	3.3
160.04503	2.0
176.02328	1.6
177.00954	10.7
178.01164	1.9
179.00752	3.1
219.02039	9.1
220.02223	2.5
221.01949	3.0
234.99925	7.0
236.00064	2.2
240.98921	2.1
243.01958	1.9
253.01210	2.8
256.96616	8.3
258.99966	22.6
260.00000	3.2
261.00058	1.9
261.03085	21.1
262.03183	7.6
263.02963	5.6
272.94449	8.6
274.94113	4.2
274.97574	4.1
276.97812	2.8
277.00949	28.6
278.01129	7.9
278.96866	2.4
279.00732	3.8
280.00797	2.0
283.00000	40.1
284.00174	5.4
290.95575	6.3
292.95190	2.6
296.97940	3.3
298.97794	1.5
300.02496	2.6
300.97980	3.8
301.01047	93.0
302.01187	11.2
303.01105	4.4
314.95868	3.0
318.98682	4.4
319.02133	10.3
324.02625	4.4
342.90332	1.8
344.94720	4.4
355.93787	2.0
356.96848	2.4
362.96237	2.7
367.92343	1.5
368.91040	1.5
370.91428	4.5
372.94891	2.4
374.94464	3.3
376.90292	2.9
377.91486	2.3
378.42010	2.6
378.92889	4.5
380.96780	17.1
381.96634	1.8
386.92581	12.1
387.42545	17.8
387.92371	12.0
388.42166	5.2
388.93558	2.8
389.43628	3.0
394.91510	8.5
396.42926	1.4
397.94907	2.2
398.97940	100.0
399.93237	1.8
399.98184	7.3
412.92706	2.3
413.84619	1.5
416.95499	12.3
421.99118	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	403.2842
Annotation	CHEMBL251695
Peak:m/z	Relative Intensity
53.03934	2.8
53.14526	0.9
55.05270	1.2
55.05512	17.1
57.03431	1.1
57.82038	0.8
59.05003	1.4
63.47024	0.8
65.03924	2.6
66.93001	0.8
67.05505	30.0
69.03415	1.2
69.07060	13.2
69.18703	1.0
69.22617	0.9
70.18839	3.9
71.04987	2.3
73.06551	1.9
77.23229	0.7
79.05493	28.0
79.30299	0.7
79.84148	0.7
81.06582	1.5
81.07058	31.3
83.04966	2.1
83.08633	6.1
85.06551	4.2
85.71519	0.8
85.81528	0.8
91.05482	49.9
93.06477	1.3
93.07046	24.3
95.04952	5.5
95.08609	19.3
97.06532	3.7
97.10158	3.0
99.08128	1.6
103.05457	2.7
104.83012	0.8
105.07032	52.1
107.04935	2.0
107.08594	13.8
109.06517	5.0
109.10169	5.3
111.08045	1.5
115.05452	2.3
116.06284	1.0
117.07021	19.0
119.08579	36.9
121.06503	3.4
121.10130	9.5
123.08068	3.1
123.11716	1.1
125.09597	1.1
128.06227	3.0
129.07002	11.2
130.07840	1.4
131.04916	1.0
131.07579	2.0
131.08566	35.4
132.09200	0.9
133.06494	2.8
133.10127	20.0
135.08044	3.9
135.11656	4.8
137.09604	1.6
141.06999	4.1
142.07785	1.7
143.08566	12.9
145.06476	1.7
145.10124	22.1
146.10490	0.8
147.08040	2.8
147.11659	7.2
149.09619	3.9
149.15227	0.9
151.11145	1.0
153.07022	1.0
155.08559	7.8
157.10126	10.0
159.08022	1.9
159.11668	8.1
161.09633	1.6
161.13210	1.9
163.11241	1.7
167.08591	3.3
169.10130	7.7
171.11693	8.1
173.09560	0.9
173.13246	3.9
177.12794	1.3
181.10158	2.9
182.10776	0.9
183.11719	5.7
185.09651	1.8
185.13251	3.6
187.11208	1.4
187.14821	4.4
189.12787	1.0
195.11742	3.5
197.13237	5.1
199.14845	2.8
201.12903	1.0
209.13286	4.5
211.14742	4.1
213.12784	1.3
213.16391	1.2
215.14359	2.0
219.17589	1.5
221.13350	1.0
223.14896	1.4
225.16386	2.3
227.14354	1.2
227.17926	0.9
229.15831	1.6
233.15378	2.6
235.14734	1.2
235.44421	1.0
237.16418	2.6
241.15877	1.7
245.15388	1.2
247.16949	3.4
253.15767	1.2
255.17407	1.5
257.18869	1.2
259.16943	2.5
261.18503	3.8
269.19049	1.4
273.18454	2.6
275.19955	1.7
287.20093	1.4
325.25250	3.9
335.23663	8.1
343.26605	4.7
353.24744	19.2
354.25092	1.4
357.27835	2.0
367.26474	1.8
371.25806	23.9
372.26224	2.1
378.72339	0.9
385.27362	11.0
403.28442	100.0
404.28766	4.9
426.23248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2477
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
55.01872	12.3
55.05509	82.9
57.03447	11.6
59.04989	3.1
61.02904	2.3
67.05173	4.1
67.05505	50.7
69.03413	5.5
69.07065	21.1
70.11403	5.1
70.11798	8.5
78.62840	2.0
79.05061	4.4
79.05489	51.1
81.07055	40.1
83.04961	7.5
83.08614	35.2
85.06537	5.5
91.05472	29.9
93.07046	21.6
95.04429	2.1
95.04971	12.4
95.08604	14.6
97.06524	4.7
97.10170	63.7
98.21406	2.8
100.92976	2.3
103.05458	16.7
105.07021	25.2
107.04942	4.5
107.08593	36.2
109.06496	9.6
109.10169	16.4
110.96337	2.3
111.08076	6.1
113.05991	6.5
115.05450	8.2
116.78143	2.0
117.07018	32.1
119.08585	13.1
121.06467	3.0
121.10148	5.0
123.08051	4.4
123.11691	2.4
125.08762	4.7
125.09626	56.6
128.06218	5.2
129.01822	2.1
129.06993	25.2
131.04948	13.9
131.08568	27.3
133.06476	6.8
133.10100	4.8
135.08049	12.8
135.11700	2.2
137.04715	2.0
137.09657	2.3
141.06981	9.1
142.07710	3.1
143.08546	13.8
143.10686	6.5
143.69528	2.2
145.06491	11.1
145.10124	8.7
147.08052	7.4
147.11679	4.3
149.09608	6.0
153.06984	2.9
153.09085	6.3
155.08543	10.9
157.06474	7.1
157.10150	5.5
159.08052	14.3
159.11725	3.3
160.46445	2.3
161.09633	2.7
167.08534	3.6
169.10107	10.7
171.07938	3.4
171.10150	3.7
171.11661	5.5
173.11761	5.9
173.13300	4.8
181.10027	3.1
183.11728	4.1
185.13228	4.6
187.14835	13.1
189.11214	53.5
195.11694	5.6
197.13249	17.5
201.12788	3.0
203.14316	21.9
213.12766	6.3
215.14304	100.0
216.14706	4.7
223.11177	3.5
231.13858	4.9
233.15326	10.2
235.14735	2.5
241.12242	10.8
245.13266	2.7
257.15448	2.9
259.13245	10.0
339.23141	8.1
349.21573	18.1
367.22650	67.3
385.23712	55.4
386.24252	2.5
403.20538	7.6
403.24765	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	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.4
55.05515	2.1
67.05490	5.0
69.07053	2.7
69.89615	9.1
75.23313	1.3
79.05486	2.7
81.03403	1.9
81.07060	6.8
91.05472	6.6
93.07035	3.8
94.04198	2.4
95.04974	4.4
95.08602	4.7
97.02859	2.3
97.06539	3.5
105.07007	5.1
107.04934	3.0
107.08578	2.8
109.02904	2.6
109.06487	1.9
109.10155	4.1
115.05484	1.5
119.04917	5.8
119.08565	3.1
121.06513	1.5
121.10155	1.6
122.03629	5.2
123.04420	4.9
123.08094	1.8
125.05985	1.9
127.03911	3.4
127.23847	1.4
131.04875	2.1
131.08586	1.7
133.06470	3.6
133.10136	1.7
137.05972	100.0
138.06274	2.4
139.03900	25.5
143.04930	1.8
145.06435	1.9
147.03238	2.3
147.04398	43.6
147.11665	2.3
147.86453	1.9
151.03902	38.3
153.05441	4.3
161.05994	4.8
163.03949	2.0
165.05475	3.6
165.09132	1.9
167.07051	5.6
169.04877	2.7
175.03889	1.9
175.07550	6.9
176.04709	7.9
177.05458	8.7
179.07040	12.4
181.04970	4.7
181.08578	2.1
187.07518	13.1
191.07016	2.1
193.04930	2.0
193.08600	54.3
205.08626	5.6
219.06607	2.1
219.10153	36.4
220.10434	1.5
221.08090	6.1
237.11211	4.3
243.06458	1.6
299.09073	1.5
305.10217	1.8
317.10080	2.2
341.13925	3.0
343.11728	6.3
357.12662	1.4
359.14847	16.9
367.15503	3.6
385.16431	7.3
385.23602	2.5
391.44080	1.4
403.18307	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	11.3
55.05511	79.0
55.51801	9.4
56.05028	16.0
56.96568	9.1
57.03442	20.2
63.36028	9.0
66.61847	8.8
67.05499	76.5
69.03430	13.4
69.07067	100.0
70.06609	13.2
71.59821	17.6
78.01370	9.5
78.50553	8.9
79.05492	79.7
81.03445	14.5
81.07050	90.4
83.04986	10.3
83.08630	34.0
83.85403	9.9
91.05476	45.9
93.07047	56.7
95.04990	15.5
95.08581	51.1
97.06525	21.6
97.10149	65.3
105.07043	50.7
107.04946	13.0
107.08584	56.3
109.10158	30.0
113.31950	9.6
117.07057	15.2
119.08612	33.4
121.10114	15.1
125.09656	52.4
129.07059	18.4
131.08536	22.1
133.10114	45.2
135.08034	25.4
135.11731	12.9
145.10136	23.9
147.11742	21.2
149.09608	13.1
151.18208	9.6
159.11708	14.1
163.11148	11.7
169.10104	10.5
171.10268	16.7
173.13315	15.4
183.11655	14.5
189.11240	38.7
194.15280	12.0
227.12753	38.1
229.14397	16.4
229.21698	11.3
245.13777	33.6
247.08662	14.6
257.19159	11.8
268.19128	37.9
275.20151	42.4
286.20078	68.8
308.53079	11.1
322.62500	10.0
349.23795	29.5
362.28119	10.8
366.26331	35.9
384.27420	16.1
385.23523	10.3
403.24826	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08456	11.3
53.03926	18.6
55.01861	28.8
55.05504	60.7
56.96544	17.2
57.03421	24.6
65.61338	12.0
67.05511	94.4
69.03423	19.7
69.07056	95.4
69.90920	77.0
71.04993	16.4
79.05486	58.2
81.07056	100.0
82.60857	12.5
83.04953	16.6
83.08591	20.1
91.05470	51.6
93.07031	56.3
95.04977	27.3
95.08608	31.3
97.06477	14.3
97.10168	39.9
98.20715	13.6
105.07013	67.0
107.04987	18.4
107.08585	57.8
109.10155	19.3
111.08095	12.4
117.07005	44.8
119.08557	45.2
121.10152	30.9
125.09637	43.3
129.06981	19.1
131.08569	33.8
133.10124	39.8
135.11662	21.1
143.08551	24.7
143.22755	12.3
145.10143	19.8
147.11755	22.8
149.09581	19.2
149.13275	14.4
155.08676	21.4
157.10109	21.0
159.11673	25.1
163.11211	14.8
171.10135	16.9
171.11621	19.6
177.12709	18.6
189.11195	39.0
194.15273	15.2
227.12813	40.4
229.07613	17.0
232.74109	12.0
247.08531	20.3
255.16022	19.6
257.19031	19.7
269.10596	13.4
269.17462	34.4
275.19916	47.1
286.20123	54.4
340.52542	12.1
349.23807	23.7
366.26227	22.3
384.27719	13.0
403.24677	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	402.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01866	1.1
57.03427	0.8
59.04996	2.5
61.02933	0.5
61.14669	0.4
64.63242	0.5
68.99789	0.7
69.03432	5.0
69.54085	3.7
73.02895	1.0
78.03460	0.6
81.03421	6.1
85.02902	7.7
87.00819	3.0
96.04491	100.0
97.02898	3.1
97.04813	0.8
99.04436	1.0
105.01855	1.8
109.02883	3.4
117.01865	1.0
117.59071	0.6
127.03918	4.9
136.07617	4.6
137.06023	0.6
137.07974	0.5
145.04955	1.6
154.08630	62.4
155.08987	1.0
159.02937	2.1
160.14432	0.5
164.90067	0.5
171.17479	0.5
204.33730	0.6
231.05055	1.2
339.03339	0.5
402.13934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18008	0.5
52.28856	0.4
53.03950	1.1
53.22544	0.4
55.01865	0.9
57.03442	0.6
59.04985	0.6
68.99773	0.6
69.03426	4.4
70.92432	1.2
71.04977	0.9
71.42167	0.4
73.02911	0.7
78.03463	1.1
81.03412	5.1
85.02904	5.7
87.00381	0.4
87.00822	2.9
94.64603	0.4
96.04487	100.0
96.59109	0.4
97.02355	0.4
97.02875	2.3
97.04840	0.8
99.04459	1.0
105.01851	1.3
105.06986	0.4
109.02899	3.5
127.03915	4.9
129.01862	0.5
136.07597	2.4
142.71129	0.5
145.04967	1.4
152.40005	0.4
154.08627	38.0
155.09016	0.8
159.02895	1.8
166.22711	0.5
184.10254	0.5
231.04987	1.4
243.87209	0.5
277.01053	0.5
296.54868	0.5
337.57370	0.6
372.00827	0.5
402.14014	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03939	0.7
55.01879	0.4
56.46959	0.3
57.03434	0.9
59.05004	2.4
61.02919	0.5
62.12420	0.3
69.03428	5.5
69.34340	3.1
69.38940	0.3
70.06591	0.9
71.04971	0.9
73.02922	0.8
78.03436	0.7
81.03414	4.8
81.07068	0.3
84.08112	0.4
85.02902	6.6
86.09695	0.4
87.00820	3.6
87.04456	1.0
91.05474	0.5
96.04486	100.0
97.02283	0.6
97.02890	9.2
97.04832	1.1
99.04447	2.5
105.01871	1.5
107.08566	0.3
109.02876	2.3
117.07018	0.3
123.04411	0.4
127.03897	4.3
133.10184	0.4
136.07562	7.4
136.08559	0.6
145.04982	2.7
154.08623	54.2
155.08954	0.5
159.02896	0.4
167.07065	0.4
197.11844	0.4
208.12770	0.3
231.05003	1.4
240.15887	0.4
241.08308	0.3
279.68924	0.3
304.27875	0.4
384.15289	0.4
402.13928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.2
57.07074	100.0
61.02919	2.4
67.05172	2.5
67.05505	33.2
69.03421	6.7
69.07063	19.2
71.04990	2.5
71.08631	75.6
71.59219	2.2
76.00814	1.5
79.05500	3.4
81.03416	8.4
81.07056	49.8
83.08618	38.3
85.02906	21.1
85.10180	40.9
91.05495	2.2
93.07066	3.1
95.08607	70.4
97.02892	18.5
97.10162	18.3
97.45010	1.4
99.03860	2.2
99.04469	7.1
99.11742	4.3
109.02882	4.5
109.10164	37.1
111.11713	3.2
119.08583	1.9
123.11687	14.8
125.13232	4.4
127.03890	10.8
127.20235	2.1
133.10136	2.4
137.13258	9.5
144.33501	2.0
145.04984	7.5
151.14836	3.8
165.16434	2.6
175.15027	1.5
181.39014	1.7
199.73517	1.7
221.22571	4.6
235.16945	2.2
239.23705	50.9
383.27869	3.8
401.30380	2.4
401.38388	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.9
53.03949	3.2
54.69256	0.4
55.01860	1.1
55.05313	0.4
55.05511	14.2
57.03445	5.9
57.07076	100.0
58.07431	0.9
61.02938	1.0
65.03946	1.0
67.05504	34.7
68.05830	0.7
69.03427	23.6
69.07068	20.3
69.57110	4.3
71.01353	0.8
71.04994	3.8
71.08630	75.6
72.08965	0.6
73.02914	1.5
79.05494	2.6
81.03419	25.7
81.07057	46.6
82.07404	1.3
83.01350	1.0
83.08618	34.6
85.02905	27.4
85.03433	0.9
85.06541	1.3
85.10182	40.8
86.03291	0.4
87.04505	0.6
89.06033	0.5
91.05479	1.0
93.07044	2.2
93.98651	0.5
95.08607	70.1
96.08911	0.8
97.02891	15.3
97.10166	17.3
97.10777	1.2
99.04452	9.2
99.08087	0.7
99.11742	3.1
101.02380	1.5
107.08598	0.9
109.02879	10.5
109.10154	32.6
111.11735	4.6
113.13281	0.8
115.03912	0.7
121.10097	0.6
123.11705	16.0
125.13290	2.7
127.03919	22.8
127.14838	0.9
137.13252	8.2
139.14784	1.5
145.04951	7.9
147.08623	0.5
151.14824	2.7
165.16345	2.1
179.17986	0.7
221.22636	3.9
239.23700	36.3
240.23982	0.8
257.24780	3.3
298.27356	0.6
298.93158	0.6
323.25757	0.7
341.26721	1.3
377.02716	0.8
383.14578	0.6
383.23782	0.6
383.27951	7.5
401.28494	1.9
401.37952	1.4
402.38577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.4
53.03934	6.3
55.01870	9.7
55.05303	1.3
55.05512	14.4
55.79245	1.2
57.03432	2.2
57.07073	99.2
60.38045	1.2
66.74854	1.2
67.05503	30.2
69.03423	21.2
69.07066	19.1
69.36518	13.8
69.99678	1.2
71.01344	2.2
71.04990	6.2
71.08628	75.5
73.02901	5.9
77.91451	1.3
79.05482	2.7
81.03420	24.8
81.06582	2.6
81.07053	48.1
83.08622	33.8
85.02914	8.0
85.06538	2.2
85.10180	36.3
93.07015	3.5
95.08603	67.3
97.02888	100.0
97.10172	15.5
99.04454	40.8
99.11710	3.5
101.02361	2.3
105.07018	1.4
109.02879	18.8
109.10155	31.5
109.43439	1.2
110.10494	1.5
111.11710	5.4
113.13296	1.8
119.15734	1.5
123.11710	14.2
125.13276	5.0
127.03915	52.6
137.13252	10.2
137.21297	1.3
145.04980	7.7
145.10063	1.4
151.14789	5.3
165.16403	2.8
172.95305	2.6
221.22610	5.1
236.28842	1.6
239.23685	90.8
240.24013	2.8
257.24780	2.9
298.27466	1.9
317.11734	1.4
339.34390	2.3
344.11212	1.4
383.28018	4.9
401.37970	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	401.2684
Annotation	Blazeispirol C
Peak:m/z	Relative Intensity
53.03932	4.4
54.30978	1.2
55.01879	3.0
55.05261	2.1
55.05510	29.3
57.03428	1.3
57.07061	3.3
57.92228	1.2
59.04991	2.8
65.03929	4.1
67.05504	38.0
69.07068	20.6
70.06567	5.0
70.49820	1.7
70.50170	4.3
71.04985	3.7
71.08612	2.4
73.06558	2.1
79.05492	30.5
81.03388	2.4
81.06585	2.2
81.07057	42.2
83.04960	2.3
83.08617	12.0
85.06525	6.0
88.07626	11.3
88.66058	1.3
91.05479	53.5
93.07039	28.7
93.33521	1.3
95.04958	9.6
95.08604	24.2
97.06517	5.3
97.10162	3.3
99.08035	1.6
100.63213	1.3
102.09155	4.3
103.05454	4.7
103.09515	1.3
105.07032	35.2
107.04944	6.1
107.08594	14.9
108.02527	1.4
109.02862	1.6
109.06530	7.4
109.10159	7.7
111.08050	3.0
115.05458	7.4
116.06245	1.9
117.07013	37.4
119.04932	2.3
119.08582	20.1
121.06501	6.2
121.10121	7.0
123.08050	4.3
123.11666	1.5
125.09624	2.3
128.06229	10.1
129.07007	38.6
130.07791	2.9
131.07587	2.4
131.08569	48.2
133.06512	8.2
133.10115	10.8
135.04373	1.9
135.08044	7.5
135.11642	4.4
137.09692	3.5
139.11148	1.7
141.06984	12.3
142.07744	5.6
143.08553	38.6
144.09254	2.4
145.06464	8.8
145.10121	27.3
147.07997	6.6
147.11668	4.7
149.09608	4.4
153.06953	2.6
155.08545	17.9
156.09348	3.1
157.06506	3.1
157.10114	21.0
159.08122	8.1
159.11723	12.9
161.05986	2.5
161.09604	4.0
161.13219	2.8
163.11165	3.1
165.07030	3.4
167.08548	8.8
168.09323	2.0
169.10112	11.7
171.08014	4.1
171.11719	13.7
173.09586	2.5
173.13280	3.3
175.11195	2.2
177.12753	5.0
179.08574	3.7
180.09363	1.5
181.10100	10.8
183.08022	1.6
183.11693	10.2
185.09647	3.4
185.13249	7.7
187.11099	2.6
187.14824	3.0
193.10045	2.7
194.10965	1.7
195.11697	8.2
197.09647	2.4
197.13200	6.8
199.11243	3.4
199.14804	5.4
201.12799	2.6
205.12277	1.3
207.11713	4.9
207.13661	1.5
209.13243	9.2
211.11182	3.1
211.14825	3.8
213.12761	6.8
213.16393	2.9
215.14331	2.2
217.15930	1.6
221.13214	5.2
223.14833	6.4
225.12778	4.5
225.16417	1.6
227.14236	4.3
227.17867	1.5
229.15768	1.9
231.13744	2.4
233.13309	2.2
235.14774	4.7
237.16388	1.8
239.14278	5.0
241.15872	3.2
243.13855	2.8
245.15315	2.3
249.16321	2.3
251.14445	1.5
253.15846	4.9
255.17473	1.6
257.15396	2.8
259.16989	4.4
269.15363	2.1
271.16953	4.3
273.18640	2.9
285.18387	3.4
305.22717	1.4
323.20129	2.6
323.23450	7.6
333.22128	9.9
339.34460	10.4
341.24777	7.9
351.23190	31.5
352.23376	3.1
355.26544	1.9
363.00861	1.5
365.24710	2.5
369.24234	38.8
383.25729	12.6
401.26859	100.0
401.38110	39.2
402.27124	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
53.61489	2.5
54.13531	2.5
55.01852	2.9
59.45386	2.5
61.02922	4.5
66.44852	2.8
69.03413	10.1
69.07059	6.2
69.81767	13.5
69.82176	6.3
70.06586	12.6
72.08135	6.0
75.26450	2.7
79.05495	18.4
81.03387	5.9
81.07054	6.6
84.08144	5.8
85.02902	13.6
86.09696	13.4
91.05470	10.1
95.04956	6.7
97.02858	5.9
98.97557	3.4
105.06977	4.0
107.04952	35.0
108.08102	6.4
109.02880	7.2
109.06542	2.8
116.07105	4.7
117.07028	6.2
119.04869	3.3
123.04400	6.9
124.05238	7.3
124.07542	6.0
125.06024	4.3
127.03894	5.0
129.06985	9.6
130.08688	3.2
131.08594	10.4
133.06508	3.1
136.07581	5.6
137.05930	5.5
141.06963	5.5
144.05675	7.0
145.06456	4.7
151.03891	3.6
154.08653	27.5
156.05702	9.7
157.06505	4.6
159.07996	10.2
161.05986	4.9
163.03839	3.7
165.07024	4.7
167.07047	100.0
169.06407	3.7
173.06003	5.7
177.05421	3.9
177.06941	3.2
180.01125	8.3
181.04933	3.4
181.08487	3.2
186.06741	4.9
187.07516	7.1
190.06142	3.3
193.08327	3.0
202.06126	3.9
203.08531	5.6
205.06622	4.1
205.08514	14.4
206.07358	3.7
207.06493	4.5
208.05084	18.1
208.06847	3.1
208.08763	3.6
217.08569	21.4
218.07327	7.7
219.08080	11.8
219.10068	4.4
220.08922	4.8
221.06021	9.2
222.02136	5.0
229.08505	6.0
231.08136	13.4
231.09938	3.2
233.09642	4.6
234.06732	5.5
235.07613	5.3
236.04768	6.1
236.08275	9.0
237.09290	4.1
239.07014	3.9
240.03247	25.2
247.07578	16.8
247.09686	18.2
248.08363	17.6
249.05679	3.8
249.09087	3.6
250.06244	3.8
254.05797	7.0
258.06818	2.9
259.07425	5.2
261.05460	3.6
261.09106	5.8
262.09998	3.9
263.07098	3.6
263.10641	7.8
264.07730	8.0
265.08496	6.9
267.06598	8.9
269.08090	15.5
271.09729	9.2
272.06824	5.4
275.06906	6.4
276.07828	9.1
277.08517	6.4
278.25977	3.0
279.06918	3.2
279.10150	13.2
281.08170	5.6
282.08887	19.3
290.09393	7.3
291.10114	18.4
292.07333	4.7
293.08078	11.7
294.08920	3.2
299.09128	4.6
305.08093	4.2
307.09503	13.8
308.10287	5.1
310.08371	8.6
311.12787	3.9
315.08594	58.7
317.45673	2.8
319.09644	11.9
321.07559	5.7
321.11124	3.5
322.08444	3.7
323.12650	17.0
328.09363	5.2
330.10962	56.7
331.11777	9.6
336.09705	9.6
337.10632	10.8
339.12146	7.2
343.11810	23.4
351.12161	29.4
352.13055	6.6
353.10141	10.4
368.12546	10.5
369.13104	3.4
383.14856	84.6
401.16251	16.9
401.28052	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
56.64534	2.0
62.58354	1.8
67.05507	3.3
69.03432	3.4
69.07031	2.0
69.79028	1.9
70.06589	2.1
71.32578	3.7
79.05488	21.2
81.03410	4.0
81.07045	7.5
83.04972	2.2
85.02903	6.7
85.06538	2.9
86.09692	3.6
91.05470	9.7
93.07035	3.1
95.04952	9.5
95.08585	4.7
97.67212	1.8
105.04525	2.0
105.07008	3.2
107.04952	32.4
107.08598	3.1
109.06504	2.2
115.05444	6.8
115.53771	2.2
116.06252	4.0
117.07006	3.0
119.08592	2.6
121.06528	3.0
122.24461	2.1
123.04424	8.1
124.05206	6.6
125.05982	3.9
128.06212	4.4
129.06998	9.3
131.04919	3.0
131.08565	9.5
135.04384	5.4
137.05981	4.6
141.06966	4.4
144.05690	11.1
145.06544	11.9
149.05960	2.5
149.67215	2.1
151.07523	2.5
152.04680	4.6
153.05406	4.0
156.05699	16.1
157.06450	2.9
159.08078	15.3
161.05969	4.3
163.03835	5.9
165.06970	3.6
167.07039	100.0
169.06407	4.1
173.06000	6.5
174.06801	2.8
175.07561	3.1
179.07051	4.0
181.04939	6.2
181.06485	3.7
181.08492	2.6
184.05244	5.0
186.06699	2.7
187.07561	10.1
189.05511	2.9
191.08626	3.2
193.06497	4.1
195.06462	5.4
202.06229	5.6
202.07889	2.5
203.08592	5.3
204.07689	2.1
205.06735	4.0
205.08562	17.3
207.06509	7.2
207.08249	3.1
208.05159	28.0
210.06667	3.5
211.07521	2.4
217.08557	33.6
218.07138	5.3
219.08055	15.6
219.10144	6.6
220.08871	6.7
221.05960	7.6
221.09660	3.4
229.08452	5.0
231.08043	10.6
232.08899	2.7
233.09717	4.7
234.06856	4.9
235.07574	3.0
236.04611	8.0
236.08379	4.9
238.06169	2.5
239.06960	4.6
240.04156	4.4
241.08588	2.4
244.08817	2.6
245.09616	2.7
246.06834	2.0
247.07497	14.2
247.09688	23.1
248.08151	10.4
249.09163	4.4
251.10843	2.8
254.05629	11.1
255.06476	3.2
259.07581	4.1
260.08237	3.3
261.08795	2.4
262.09854	4.4
263.07028	6.1
263.10635	12.2
264.04193	2.1
264.07767	8.5
265.08591	6.8
266.05618	3.2
267.06418	9.8
268.03702	2.4
268.84735	2.1
269.08142	23.6
271.06293	2.9
271.09628	9.8
272.06778	3.9
275.06900	7.1
276.07761	10.2
277.08591	7.4
278.05692	4.3
279.07080	2.6
279.10199	7.1
281.08188	2.6
282.05484	4.9
282.08832	20.6
284.06882	3.0
285.07648	2.7
287.09485	2.6
289.08499	3.0
290.09332	5.5
291.10101	18.0
292.07199	8.2
293.08191	11.6
295.09668	2.4
299.09015	3.9
300.06317	2.7
301.07074	3.2
304.07330	3.0
305.07986	3.9
307.09698	10.0
308.10364	6.1
309.07257	2.8
309.11002	2.5
310.08188	7.6
311.12616	4.3
315.08621	70.5
319.09644	8.5
321.07605	5.3
321.11121	3.4
322.08246	3.7
323.09241	3.8
323.12775	24.0
328.09323	7.8
330.10992	72.3
331.11728	12.6
336.09991	4.3
337.10663	8.4
339.12320	9.5
341.09775	3.0
343.11774	24.0
351.12262	27.0
352.12961	3.5
353.10071	6.3
356.12454	4.4
368.12558	8.4
369.13330	4.6
371.14868	5.7
383.10208	4.4
383.14886	66.2
401.16223	16.9
401.21127	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55814	3.5
69.67359	3.8
70.14361	20.4
79.05492	15.1
91.05474	11.4
107.04958	23.0
107.15919	4.2
115.05447	4.0
124.05211	6.2
129.06976	9.6
131.08586	6.5
133.23383	3.9
141.06964	5.1
144.05716	6.6
145.06497	8.6
152.04655	4.6
156.05681	15.9
156.76881	3.7
159.08017	16.6
163.15570	3.8
167.07040	100.0
169.06438	4.3
173.06076	3.9
175.07542	4.6
181.04936	7.9
186.06749	5.8
187.07520	9.9
190.06352	4.1
191.08533	4.6
193.08621	4.1
195.06511	6.3
202.06197	6.9
203.08611	7.1
205.08562	20.9
207.06496	7.9
208.05179	22.5
211.07455	5.4
217.08609	32.3
218.07166	5.0
218.09026	4.1
219.08102	14.5
219.10197	7.2
220.08952	5.3
221.05984	9.8
226.06213	4.4
231.08055	9.4
233.09584	4.2
236.04741	6.6
241.04997	4.2
245.48784	4.7
247.07576	19.3
247.09735	25.8
248.08319	14.4
249.09302	4.2
254.05748	8.4
259.07532	6.3
261.08981	4.4
262.06345	4.4
262.09976	4.0
263.10699	9.6
264.07770	6.9
265.08502	7.1
267.06555	7.2
269.08075	19.7
271.09579	7.3
272.06677	5.3
275.06894	4.5
276.07712	11.2
277.08612	9.2
279.10156	13.4
280.07492	4.5
281.08267	4.0
282.08887	16.0
291.10175	15.6
292.07300	4.7
293.07996	8.8
305.08282	5.1
307.09714	14.0
308.10483	6.4
310.08292	9.6
311.12875	4.9
315.08633	51.6
319.09586	8.5
321.07727	6.2
323.12692	14.3
330.11029	66.4
331.11667	8.5
337.10703	6.3
339.12195	9.8
343.11810	24.6
351.12292	22.2
353.09912	8.2
368.12592	11.6
369.13275	5.1
383.14883	71.1
401.15912	18.9
402.16373	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
53.54017	2.1
55.01878	2.3
57.33284	1.8
69.07050	2.2
70.94297	4.1
70.94678	3.2
71.04974	2.1
76.90102	2.6
78.04716	2.5
79.05492	19.4
81.03419	2.5
81.07057	3.9
85.02908	2.6
87.68638	1.9
91.05477	8.7
93.07057	3.8
95.04975	7.3
105.07023	4.1
107.04954	38.2
115.05449	5.6
117.06999	4.8
123.04424	8.6
124.05210	8.1
125.05983	6.7
128.06216	3.9
129.06956	9.4
131.08537	10.2
132.05649	2.5
133.06444	2.3
137.06029	4.1
141.06972	4.2
144.05678	7.3
145.06465	7.3
149.05984	2.6
152.04692	4.4
156.05714	14.6
157.06548	5.2
158.07249	2.2
159.08057	18.4
161.05980	4.5
162.06027	1.9
163.03923	5.9
165.07051	4.0
167.07037	100.0
173.06003	6.3
175.07436	2.6
177.05542	4.6
181.04984	4.5
181.06471	2.4
181.08585	3.2
183.08037	2.3
184.05240	4.2
186.06711	5.4
187.07571	10.7
190.06183	3.2
191.06940	2.5
191.08571	4.1
193.06541	4.0
193.08582	4.4
195.06537	2.6
202.06178	5.3
203.08531	4.4
205.06618	3.3
205.08615	13.7
207.06516	5.3
207.10146	2.2
208.05229	21.6
208.08752	2.6
217.08580	31.5
218.07222	5.3
219.08052	14.2
219.10133	4.4
220.08806	5.0
221.05975	12.7
224.04707	2.9
226.06145	3.2
229.08583	2.6
231.08066	8.2
231.10196	4.2
232.08826	2.9
233.06036	2.6
233.09619	6.3
234.06680	3.5
235.07536	4.4
236.04721	8.1
236.08237	3.3
237.05296	2.4
237.09109	4.8
239.07013	4.9
240.04176	4.6
240.51657	2.2
241.08588	3.9
245.09497	4.0
247.07475	14.9
247.09697	20.2
248.08298	17.4
249.05389	4.1
249.09073	2.6
251.10735	2.0
254.05707	8.5
255.06618	2.9
259.07553	3.5
260.08389	3.7
261.09055	4.6
262.09897	4.3
263.07001	4.9
263.10693	12.6
264.07736	6.5
265.08575	7.7
267.06531	9.3
268.03891	2.3
269.08102	19.3
271.09595	7.5
272.06769	4.5
275.06943	7.1
276.07758	10.5
277.08618	6.5
278.05496	2.2
279.10117	10.9
281.08124	4.1
282.05859	4.1
282.08878	18.4
287.09250	3.6
290.09348	5.1
291.10089	17.0
292.07401	2.9
292.10602	3.2
293.08115	12.7
293.11008	2.2
294.08875	2.4
299.09088	7.1
301.07077	3.3
304.07501	3.0
305.07965	3.5
305.11655	2.1
307.09525	13.6
308.10373	6.8
309.07755	3.1
309.10956	2.9
310.08279	8.4
311.12808	4.5
315.08630	66.4
316.09262	3.0
318.08881	3.7
319.09677	11.1
320.10654	2.4
321.07736	3.0
322.08307	2.8
322.11612	3.7
323.12668	14.5
328.09497	5.9
330.10962	73.5
331.11618	11.5
336.09824	7.2
337.10742	6.4
339.12225	9.5
340.12833	2.6
343.11755	28.5
351.12274	28.4
352.12836	5.8
353.10153	6.5
356.12613	4.6
368.12531	13.4
369.13397	3.8
371.14780	5.4
383.14847	56.1
384.15219	3.6
401.16086	19.3
409.13297	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	401.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64574	2.8
56.96559	13.7
57.28456	2.6
71.57674	4.3
83.03327	3.5
98.97578	73.1
116.98611	100.0
117.98948	3.2
134.99655	73.2
153.00696	19.4
158.01277	5.2
177.00945	5.1
182.30385	2.8
190.17201	2.9
190.95357	6.4
192.98761	4.9
208.96465	3.6
219.01935	5.4
232.66295	3.0
232.96494	7.9
234.99934	8.5
236.99843	10.3
250.97583	8.9
252.97591	6.3
255.00838	3.2
256.96579	7.2
258.99875	25.2
260.99750	13.0
261.03033	10.6
262.47876	3.0
263.02997	5.4
272.94312	4.7
274.97504	87.1
275.97916	10.4
276.97540	27.9
277.00879	56.5
278.01105	7.2
279.00827	19.7
280.01007	5.3
282.99963	9.9
284.99896	10.6
285.99652	3.6
292.98578	73.1
293.99002	8.7
294.98657	16.7
297.99091	7.0
300.97574	13.6
301.01068	27.3
302.01141	7.4
303.00867	31.9
304.00870	5.6
310.99719	3.3
316.98950	7.5
318.98596	32.8
319.02115	5.2
376.98935	17.9
396.94186	5.1
401.01382	9.4
406.52850	3.3
418.98306	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	400.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.5
57.03411	3.2
59.05003	7.2
65.03935	4.4
67.05492	4.3
69.03443	5.9
69.08126	2.5
69.87609	13.7
70.06567	4.4
72.08164	3.1
79.05516	3.7
81.03413	4.2
83.04980	9.0
84.04489	2.7
85.02908	9.9
89.03909	6.1
91.05482	6.9
93.03399	4.2
95.04991	3.0
97.02927	3.1
98.21514	2.9
102.41380	2.1
103.05446	4.7
105.22749	2.4
107.04948	7.2
111.04418	18.1
117.03380	4.8
117.07018	26.5
117.09121	3.3
118.97962	2.8
119.04982	3.4
120.08085	11.8
123.04424	29.3
127.03912	4.6
129.05495	7.7
131.04936	8.0
134.05984	3.6
135.04425	19.9
135.10155	5.0
137.05975	5.3
138.05537	13.0
139.03899	11.5
145.02846	11.4
145.06487	58.0
147.04398	11.6
149.05977	16.8
152.07051	2.6
157.04962	3.3
157.31143	2.4
163.03911	100.0
163.07553	42.9
164.04224	5.6
165.05585	12.0
167.07001	14.3
169.07558	3.6
173.05962	5.3
174.12776	8.1
175.06036	4.5
180.06572	4.3
181.05000	6.8
191.03470	4.9
191.07031	49.2
192.13780	5.3
195.02885	2.9
206.08144	3.3
207.08434	3.7
208.06058	20.6
208.09833	12.2
209.08101	54.2
220.09785	2.9
220.13297	4.8
226.10640	3.3
228.62440	2.4
238.10703	5.3
238.14360	22.1
242.47937	2.7
322.11838	2.9
354.40143	2.3
357.11441	4.0
382.14676	5.1
400.16006	21.2
401.10529	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	400.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06589	0.8
71.04984	0.7
71.58679	1.1
71.59032	0.9
83.55278	0.8
85.02899	1.9
89.03925	1.2
91.05463	2.0
94.06544	0.9
106.06520	1.4
107.04948	6.3
110.24445	0.8
111.04430	1.5
117.05812	1.1
118.05791	0.8
118.06555	3.9
119.04921	1.1
119.07335	14.6
120.05710	1.6
122.06036	3.7
123.04381	1.1
130.06525	4.6
131.07335	4.7
132.08142	1.6
133.08923	2.5
134.06015	12.6
135.06802	18.3
136.07533	1.6
145.02835	1.5
145.05077	1.0
145.06410	1.0
146.06010	31.6
147.04393	1.0
147.06786	19.6
147.46710	0.8
148.07578	3.5
150.05484	4.1
162.05508	2.8
163.03903	8.0
167.07065	0.9
175.03766	0.9
177.05573	1.2
181.04997	0.9
235.07558	2.4
237.09154	2.5
239.06914	1.0
240.10333	2.1
252.10168	5.8
254.11809	3.4
256.09702	2.4
264.10141	2.1
266.11816	2.1
268.09744	1.8
269.12848	15.6
270.11194	7.9
273.95447	1.1
280.09738	3.3
281.12894	15.8
282.11237	3.1
283.14502	2.9
298.10785	4.4
309.12347	13.5
310.10690	1.9
315.13370	19.4
327.13400	4.4
337.11755	2.0
355.12878	100.0
356.13159	2.8
365.11154	1.2
383.12408	4.3
400.15103	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	400.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11237	0.1
51.52444	0.2
54.33313	0.2
55.01858	0.8
57.03433	1.3
57.09920	0.1
62.04659	0.2
69.03431	2.9
70.05652	0.5
70.06054	0.3
70.21994	0.2
71.01338	0.4
73.02911	0.7
73.50063	0.1
75.84792	0.2
79.05466	0.2
81.03412	0.4
83.04961	0.2
83.28845	0.1
83.88393	0.2
85.02910	1.5
93.13154	0.2
94.04042	0.4
95.04922	0.2
97.02886	2.0
98.97588	0.2
99.04496	0.4
109.02884	0.3
115.03912	1.0
119.03539	1.3
123.04440	0.3
127.03900	0.2
133.04942	0.9
136.06187	100.0
137.04625	0.9
137.06560	1.4
139.04016	0.2
145.04868	0.3
146.05992	0.2
147.06769	0.3
148.07539	0.2
163.03880	0.7
163.07574	0.2
169.04948	0.2
185.71631	0.2
206.37943	0.2
229.07249	0.2
268.10410	7.0
269.10812	0.2
316.64285	0.2
322.34351	0.2
355.12924	0.9
400.14639	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	399.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62263	4.7
55.05519	27.7
57.07066	13.2
67.05499	33.2
69.07079	28.8
71.04990	6.4
71.59779	6.7
71.60279	8.1
79.05511	26.0
81.07053	93.2
83.08617	9.1
91.05489	26.2
93.07040	64.7
95.08610	100.0
97.10175	5.4
101.06007	12.8
105.07040	57.3
105.94525	5.1
107.08582	69.6
109.10165	69.7
119.08570	55.3
121.10136	62.3
123.11690	28.7
131.08575	12.0
133.10117	37.5
135.11720	49.3
136.12015	5.4
137.13222	8.4
143.08525	7.0
145.10120	16.6
147.11661	31.7
149.02353	24.3
149.13271	34.4
150.02690	16.5
153.09077	6.0
159.11732	10.5
161.13243	22.0
163.14760	12.6
165.12732	5.6
173.13263	13.2
175.14850	15.2
189.16316	9.5
191.17972	38.2
195.13818	11.2
201.16399	11.0
203.17946	11.8
205.19482	17.2
207.13809	12.2
209.15462	7.3
217.19489	50.4
225.16444	6.3
235.16806	7.7
243.21002	7.5
257.22644	23.3
261.18619	40.4
275.20166	6.8
399.32404	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.3
57.07056	3.1
58.51276	0.8
67.05499	4.9
69.07070	6.6
69.76620	4.2
69.77032	1.7
71.08631	1.1
72.91726	1.0
76.82856	0.9
79.05485	5.3
81.06600	0.9
81.07056	14.2
83.08582	3.4
90.94488	0.9
91.05444	3.6
93.06583	1.0
93.07047	12.1
95.08059	1.3
95.08606	19.7
97.10152	1.8
99.04408	2.2
101.06007	2.4
104.87621	0.9
105.07024	9.2
107.07890	0.9
107.08598	15.9
109.10159	10.4
119.08573	9.9
121.10139	14.5
123.11707	6.0
131.08548	1.3
133.10097	9.5
135.08099	1.3
135.11681	15.9
137.13211	3.2
145.10056	3.6
147.11697	11.4
149.13258	7.5
159.11630	4.2
161.13255	5.8
163.14783	3.0
173.13176	2.5
175.14796	2.1
177.12782	5.0
181.12238	1.8
187.14764	1.5
189.16353	2.7
191.17996	8.8
195.13828	6.0
201.16383	1.0
203.17953	7.1
205.19556	4.5
207.13754	4.2
209.15363	2.3
217.19557	6.4
229.19350	1.5
235.17055	0.9
243.20926	1.9
257.22604	2.4
261.18414	2.2
293.57693	1.0
343.26321	1.2
399.30792	100.0
400.31375	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	399.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15746	1.8
53.03949	3.4
55.05502	16.0
57.07069	4.7
59.04992	1.7
67.05502	23.9
69.07061	17.9
71.04990	2.1
79.05485	13.2
81.07053	48.6
83.04977	4.5
83.08608	10.6
85.06560	4.5
91.05485	15.3
93.07043	48.2
95.05036	1.7
95.08605	100.0
97.06536	3.4
97.10151	4.3
98.20782	4.1
99.04444	4.1
101.06031	6.4
105.07030	31.5
107.08588	60.8
109.10153	43.0
111.08043	2.0
117.06988	3.4
119.08582	35.9
121.10138	57.3
123.08113	2.0
123.11720	14.7
131.08572	4.9
133.10121	31.1
135.08031	3.8
135.11684	61.0
136.12064	1.9
136.57826	2.0
137.13272	4.0
143.08650	2.3
145.10109	9.9
147.11688	36.6
149.13245	24.5
153.09143	3.8
155.08510	2.2
157.10106	2.0
159.11626	11.9
161.13228	19.2
161.14253	1.8
163.11195	4.6
163.14847	10.9
165.12714	2.1
167.10635	2.1
173.13281	7.2
175.11090	2.8
175.14763	10.6
177.12752	10.2
177.16414	5.2
181.12230	10.0
187.14859	3.7
189.16368	14.5
191.14272	7.4
191.17940	64.0
195.13823	19.4
201.16351	2.5
203.17955	20.8
205.19545	6.6
207.13805	12.6
209.15320	16.4
215.18108	2.1
217.19495	22.2
221.15404	2.8
229.20392	1.9
235.16920	3.1
243.21135	2.3
257.22678	4.1
263.20084	2.0
275.20078	2.2
303.23071	3.0
399.32587	38.7
400.32764	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.3
56.96555	2.0
61.01148	0.6
63.35495	0.5
65.75604	0.5
66.19809	0.5
69.03426	2.0
70.06574	0.6
70.51679	1.7
71.08655	1.0
84.08151	0.9
85.02900	2.0
91.05474	1.3
95.30574	0.6
97.02887	11.0
98.97559	1.0
101.06037	0.7
102.05545	2.5
108.08141	1.1
116.98605	1.6
119.04950	1.6
127.03941	0.9
134.99652	0.7
136.06186	11.8
136.07253	1.1
137.05977	0.9
145.02954	1.0
146.99628	1.0
147.04399	2.1
152.07115	1.0
161.01201	0.7
163.03920	1.3
175.03922	0.8
207.06529	0.7
207.08368	0.9
228.05804	1.9
237.02847	2.4
237.07498	1.0
244.04410	1.0
250.09360	10.6
261.02838	0.7
297.02634	0.9
298.09821	1.6
339.09320	0.6
355.13004	0.7
381.11694	1.1
399.12619	100.0
400.12750	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	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.8
56.96561	0.9
61.01142	0.5
69.03420	0.8
71.08618	0.5
71.24632	0.9
77.42250	0.5
77.42734	0.5
85.02917	1.1
85.10181	0.7
89.84798	0.6
95.57703	0.7
97.02905	4.5
98.97585	0.7
102.05537	1.2
110.92939	0.5
116.98653	0.5
128.98636	0.6
134.99651	0.8
135.04430	0.6
136.06190	5.1
137.05983	0.7
147.04384	1.2
151.03923	0.6
163.03874	1.6
195.13525	0.5
198.18303	0.6
206.27298	0.5
207.06586	0.6
237.02754	0.9
250.09335	3.6
298.09775	0.7
339.53360	0.6
357.06671	0.7
381.11566	5.1
382.64432	0.6
399.12619	100.0
400.13043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	0.9
56.96562	13.6
71.57771	0.5
71.95251	2.0
81.16567	0.4
97.02911	0.5
98.97578	61.6
116.98617	79.4
117.98990	0.5
119.01890	1.3
130.93306	0.9
134.99652	69.2
137.02917	0.8
140.00162	2.0
153.00710	13.9
153.01926	0.9
158.01289	4.0
172.94360	2.5
174.97749	0.8
177.00999	1.1
178.01003	0.5
190.95396	6.3
192.98763	0.9
208.96460	3.9
214.95445	1.7
216.98753	0.5
219.01933	1.2
230.41504	0.4
232.96442	9.2
234.99884	2.2
248.99667	0.6
250.97546	9.5
253.01071	0.8
256.96423	12.5
258.99829	3.7
260.00156	0.7
261.00327	0.6
261.02902	2.1
262.03186	1.0
263.02737	0.8
272.94443	0.8
273.99048	0.6
274.97504	100.0
275.97870	1.8
277.00885	7.7
278.00970	1.1
279.00711	1.0
280.96811	0.4
282.99957	1.5
284.00156	0.7
292.98547	95.1
293.99026	2.1
294.98834	0.5
297.99045	6.5
298.97641	3.7
299.98062	0.9
300.02426	0.5
300.97845	0.6
301.01038	4.1
302.01221	0.9
303.00766	0.9
310.99664	1.8
316.00140	4.2
316.98785	12.9
317.98923	2.5
334.99820	0.8
339.02185	0.5
340.00586	0.8
356.98682	1.5
372.93863	0.5
374.99185	5.4
381.93317	0.7
394.91351	0.7
398.97757	0.8
416.98807	1.2
417.99265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81298	0.2
54.04779	0.2
64.05554	0.2
65.03940	0.5
68.80108	0.2
69.03418	0.7
69.39764	2.3
72.08157	6.0
73.06564	0.4
85.02903	0.6
90.09180	0.8
91.05482	5.8
95.83466	0.2
98.06055	0.4
117.07005	0.3
117.26768	0.2
119.04942	16.8
123.04399	0.5
124.07586	0.4
127.03940	0.7
132.08061	0.3
145.06462	0.4
147.04408	100.0
147.77159	0.3
148.04762	1.3
159.06804	0.6
160.07603	0.4
161.06038	0.4
163.03923	1.2
165.05548	0.5
172.07533	1.7
188.07082	2.9
189.05438	0.3
200.07082	0.7
206.08145	0.9
218.08133	1.0
236.09175	3.7
236.12892	0.8
237.03407	0.2
291.08713	0.5
309.09711	1.0
316.51413	0.2
398.10770	2.3
398.18521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
61.02911	0.8
67.05479	0.7
69.03422	3.1
69.07085	0.8
70.06590	1.2
72.08157	14.6
80.76351	0.7
81.03415	1.4
81.07042	0.8
83.04959	1.0
84.04510	1.2
85.02888	3.3
90.09203	7.1
91.05471	6.3
95.37174	0.8
97.02881	2.0
99.04438	0.9
107.04974	1.1
109.02869	0.7
117.03324	0.9
119.04936	14.8
121.06483	1.0
123.04473	1.1
124.07607	2.1
127.03934	1.1
131.96700	3.4
135.04362	0.9
145.02835	1.0
145.06514	0.7
147.04407	100.0
148.04759	2.2
161.05975	1.4
163.03911	3.6
177.05409	0.8
178.08643	1.1
206.08127	2.0
236.12807	22.7
351.44760	0.8
398.14536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
61.02921	0.8
65.03951	0.5
66.94368	0.5
69.03429	1.7
70.19511	2.0
71.04969	0.4
72.08159	16.8
73.06544	0.6
80.00720	0.5
81.03410	1.3
84.04439	0.4
85.02898	3.8
90.09193	5.3
91.05483	3.8
97.02885	1.9
109.02852	0.5
119.04946	14.4
122.06015	0.4
123.04433	0.6
127.03889	0.6
133.03433	0.4
136.07599	0.8
145.02913	0.6
145.04967	0.9
147.04410	100.0
148.04759	1.4
163.03943	0.6
177.05481	0.9
182.55789	0.4
189.92148	0.4
193.04947	0.7
236.12819	29.6
398.14047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
60.75322	0.4
67.05485	0.4
71.59404	0.7
72.76354	0.4
75.99556	0.8
79.05531	0.5
81.07044	0.4
90.01108	0.5
91.05474	4.6
92.05804	1.2
93.07029	0.5
95.04961	0.4
105.07024	0.5
113.96764	0.4
115.05441	1.8
117.02180	4.4
121.02847	0.9
128.06175	0.6
129.02142	0.7
129.07010	2.5
135.08104	0.5
139.05441	0.4
142.01675	3.4
143.03691	0.9
145.05307	2.5
145.06293	0.5
153.06992	4.2
154.07777	1.9
155.08548	19.3
165.07091	0.8
168.05688	4.6
170.04802	9.3
183.08058	1.3
189.04251	10.7
206.26144	0.4
211.07535	100.0
212.07866	1.4
398.12668	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2013
Annotation	(-)-2'beta-{(E)-3-Hydroxy-3-methylbut-1-enyl}-2'-deoxybruceol
Peak:m/z	Relative Intensity
53.03942	0.3
55.01881	2.6
55.05499	1.1
56.96560	0.5
59.04974	0.4
65.03954	0.5
67.05510	4.6
68.99783	0.7
69.03432	1.7
69.07067	1.3
69.07470	0.3
69.27976	0.3
70.03752	0.3
71.59012	0.4
79.05493	1.9
81.07057	4.2
83.04969	0.3
83.08620	0.4
86.06075	4.6
87.04465	1.0
87.06385	0.8
91.05484	1.9
93.07056	4.2
95.04977	3.1
95.08591	1.2
97.02877	0.9
104.07123	1.3
105.07013	1.3
107.04969	2.8
107.08580	3.3
109.06547	0.7
109.10173	4.8
117.07023	0.7
119.08549	0.7
120.02213	0.3
121.06518	1.0
121.10150	0.4
123.04433	7.9
123.11692	0.7
129.06998	0.5
131.04909	0.5
131.08554	0.6
133.06522	0.4
133.10110	0.8
135.04443	2.1
135.08043	0.6
135.11690	2.4
137.02336	0.5
137.06030	0.4
141.06987	1.1
143.08533	0.4
145.02788	0.4
145.06505	0.6
145.10126	0.6
147.04425	3.8
147.08026	0.4
149.05887	0.4
153.07027	0.8
153.12779	0.4
155.08554	1.2
157.06506	0.6
159.08086	0.7
160.05209	0.5
161.06015	2.2
161.09613	0.4
163.03885	0.3
165.05678	0.4
165.06985	1.6
169.06480	0.6
173.05991	2.6
173.09627	0.5
174.06738	0.6
175.03888	0.4
175.07570	0.7
175.94591	0.3
177.05461	0.6
183.08080	1.9
185.05995	0.6
187.03908	1.3
187.07553	1.4
197.05983	0.6
199.07544	0.3
201.09135	1.1
203.06999	1.1
211.07550	3.4
212.08295	0.6
214.06332	0.8
215.07033	1.5
216.23657	0.3
227.07031	0.5
229.08597	0.9
239.07030	7.3
240.07680	0.9
242.05823	0.9
245.08081	1.0
257.08096	100.0
258.08475	3.6
269.08060	0.4
271.09720	1.4
281.08197	0.7
283.09692	0.5
295.09698	0.7
296.10150	0.6
297.11234	4.5
311.12775	0.8
323.12762	0.9
349.20743	0.5
365.19617	0.3
367.21460	0.5
379.18787	2.5
397.22342	2.6
397.27545	0.7
398.79123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2008
Annotation	alpha,4,2'-Trihydroxy-4''-O-geranyldihydrochalcone
Peak:m/z	Relative Intensity
54.61555	0.7
55.01869	3.8
55.05501	3.2
56.96555	1.0
57.07071	0.8
59.05000	0.9
65.03932	1.0
65.22793	0.8
67.05499	7.0
68.99815	0.8
69.03413	0.9
69.07068	7.5
71.59284	1.0
75.80873	0.8
76.08426	0.7
76.52795	0.7
79.05489	3.5
81.03438	0.9
81.07051	10.9
83.04983	0.8
83.08611	1.4
91.05487	4.6
93.03392	1.2
93.07034	6.4
95.04946	4.7
95.08610	3.6
97.02918	1.4
97.06526	0.8
101.04774	0.7
105.07030	2.1
106.91545	0.8
107.04958	6.7
107.08601	5.8
109.10141	6.9
111.11716	1.6
117.07019	1.3
119.04946	1.7
119.08607	2.2
121.06470	1.2
121.10146	2.0
123.04431	18.1
123.05326	1.3
123.11710	2.3
128.06253	1.2
129.07028	1.0
131.04968	0.8
131.08589	2.0
131.73282	0.8
133.06575	0.8
133.10144	2.0
135.04419	4.6
135.11693	6.1
137.02339	4.1
145.06505	1.1
147.04366	6.0
147.08076	1.5
147.11658	0.8
149.13420	0.8
151.03918	1.4
153.07008	1.2
155.08575	1.2
161.05980	3.4
161.09575	1.4
165.05592	1.1
165.07069	2.8
171.08182	1.1
171.11646	1.3
173.06030	3.4
173.11826	1.1
183.08066	3.1
185.06047	1.0
187.03961	1.7
187.07512	2.3
197.06068	1.4
199.07655	1.0
203.07037	1.8
211.07550	4.5
213.09154	1.0
214.06236	1.3
215.07091	2.1
226.06285	0.8
229.08618	1.3
239.07018	10.7
240.07762	1.1
241.08588	2.9
245.08139	1.0
246.75786	0.8
255.06563	1.6
257.08084	100.0
258.08551	2.4
269.08102	0.9
271.09662	1.2
273.07547	3.1
285.10156	1.2
295.09686	3.0
297.11093	1.3
323.12708	2.2
347.13065	1.3
379.18930	4.0
386.73254	0.9
397.20087	2.0
397.26614	1.4
397.31470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1393
Annotation	Chlorphonium chloride
Peak:m/z	Relative Intensity
51.79050	0.7
54.11861	0.7
59.13570	0.7
60.59338	0.7
70.30521	2.4
78.04720	0.7
81.99537	0.7
89.03922	7.5
89.73091	0.7
100.91376	0.8
106.73109	0.8
117.03374	24.2
130.06522	1.8
134.03606	2.5
135.04459	1.5
137.02090	0.7
145.02840	51.2
146.05994	1.7
149.05971	8.3
157.07596	3.0
158.05998	0.9
163.03857	1.0
175.08650	1.7
177.05466	100.0
178.05751	1.4
186.05522	1.3
201.06569	1.0
203.08127	5.4
212.91371	0.8
305.62082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
53.51736	0.3
55.01874	2.8
55.05509	1.9
56.96571	0.6
59.04988	0.7
64.09291	0.3
65.03911	0.8
67.05510	3.8
68.99769	1.2
69.03423	0.8
69.07069	4.8
69.25255	0.7
69.25601	4.5
71.04968	0.8
79.05486	1.8
81.07059	4.0
83.01329	0.5
83.08616	0.6
91.05482	2.8
93.07047	3.1
95.04951	2.9
95.08598	1.5
97.02872	1.3
97.10141	0.4
102.54685	0.4
105.03355	0.5
105.07037	1.7
107.04955	2.7
107.08578	2.6
109.10143	2.8
111.11684	0.8
117.03469	0.4
117.06990	1.1
119.04934	0.7
119.08629	0.9
121.02867	0.8
121.06503	1.2
121.10136	0.4
122.73801	0.4
123.03565	0.8
123.04425	13.4
123.11699	1.2
128.06160	0.5
129.07008	0.7
131.04935	1.1
131.08582	0.7
133.10133	0.5
135.04428	2.8
135.08107	0.9
135.11697	2.4
137.02344	4.6
137.05974	0.6
141.06952	0.4
143.08540	0.5
145.06487	0.9
147.04408	5.2
147.08069	0.8
147.11662	0.6
149.05940	0.7
149.13174	0.4
151.03877	1.9
153.06941	0.6
155.08543	1.2
157.06465	1.1
157.10136	0.5
159.08032	0.7
160.05234	0.7
161.05983	3.5
161.13367	0.5
163.03847	0.8
165.06993	1.9
169.06511	0.6
171.04510	0.4
171.08043	0.6
173.06004	3.3
173.09608	0.4
175.03996	0.5
175.07506	1.5
177.05437	0.5
177.12764	0.4
183.08043	2.3
184.05200	0.4
185.05992	1.0
187.03911	1.9
187.07556	1.1
197.05994	0.8
199.07549	0.7
201.09113	1.1
203.07037	1.4
211.07579	3.6
213.05484	0.5
213.09053	1.0
214.06274	0.9
215.07021	1.3
226.06259	0.5
229.08604	0.8
239.07025	9.1
239.10620	0.5
240.07629	0.9
242.05746	1.0
245.08037	1.1
255.06522	0.9
257.08078	100.0
258.08420	3.1
269.08090	0.6
271.09570	0.5
273.07498	2.8
281.08203	1.0
295.09665	3.4
297.11203	0.9
306.54282	0.4
311.12723	0.4
323.12805	2.3
339.16074	0.6
355.18982	0.4
379.18997	3.4
397.20123	2.5
397.26288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.5
56.82484	0.4
61.36676	0.4
63.02376	0.6
67.05488	0.5
67.63633	0.4
69.03449	0.7
71.32905	0.6
79.05470	0.7
81.03423	0.5
81.07049	1.1
85.02885	0.9
89.03914	8.8
91.05480	1.5
93.07027	0.7
95.08568	0.4
97.02869	0.7
103.05404	0.5
105.07030	1.2
107.08657	0.5
108.27615	0.4
109.10205	0.6
117.03374	22.9
119.04874	0.5
119.08562	0.8
127.03845	0.5
129.06972	0.8
130.06514	5.0
130.73911	0.4
134.03638	1.3
135.04413	2.2
137.05989	1.4
143.08621	0.4
145.02837	59.4
146.03142	0.9
146.06084	0.5
149.05952	7.7
157.06352	1.2
157.07600	13.7
158.06021	1.4
159.11592	0.5
163.03792	1.1
175.07443	0.6
177.05458	100.0
178.05823	1.4
185.07156	0.9
186.05478	1.5
203.08144	40.9
204.08408	0.6
217.15913	1.0
219.42416	0.5
228.83247	0.5
235.09645	1.2
273.11224	1.4
309.12228	1.8
333.25098	0.5
351.13022	0.7
354.14795	0.6
379.12799	7.8
397.16248	1.0
397.23715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03759	0.4
63.02363	0.8
65.36144	0.4
69.50361	0.4
69.88931	1.9
89.03407	0.8
89.03914	9.5
89.04422	0.8
91.05465	0.7
98.20650	0.5
110.19221	0.5
117.03377	25.7
130.06525	2.7
131.86263	0.4
134.03586	2.1
135.04433	2.0
137.05959	0.6
143.49121	0.4
145.02840	61.2
146.03180	0.5
146.05998	1.0
149.05977	8.3
155.06102	0.5
157.07596	4.3
158.05966	0.5
159.09190	0.6
163.03963	0.5
175.08650	0.9
177.05463	100.0
178.05791	2.1
185.07083	0.6
186.05464	0.8
201.06570	1.8
203.08159	8.7
221.09238	1.0
245.72156	0.4
379.12695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50579	0.4
63.02381	0.5
69.32491	4.1
89.03915	7.7
89.04419	0.7
91.05478	0.9
93.07053	0.4
106.04201	0.4
117.03381	23.0
119.04901	0.5
130.06528	4.3
132.04420	0.6
134.03629	2.1
135.04402	1.7
137.06018	0.5
145.02844	61.6
146.06026	0.5
149.05981	8.8
149.07124	0.7
157.07614	12.9
158.06001	0.9
163.03984	0.6
163.11183	0.4
177.05469	100.0
178.05782	1.4
181.69170	0.4
185.07169	0.9
186.05490	1.2
201.06653	0.5
203.08153	37.0
204.08427	0.5
240.78065	0.4
309.12366	1.8
333.47012	0.4
351.13306	0.9
379.12924	8.3
380.13660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57895	0.8
71.58224	0.6
77.43242	0.4
85.02913	0.7
117.56562	0.5
119.04832	0.5
131.04932	0.6
145.02821	0.6
147.04398	2.1
163.03877	1.9
164.04271	0.5
176.07130	0.7
177.05496	0.9
177.07335	1.1
185.04187	1.8
205.06892	1.7
219.02768	0.6
222.07521	0.5
223.07980	0.6
234.04924	0.7
235.05753	5.3
256.04291	1.2
280.04248	0.7
282.81781	0.6
309.12091	0.5
364.06445	2.6
397.11011	100.0
398.11340	3.3
405.35141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01856	0.4
55.05509	1.0
65.03940	0.4
67.05505	5.7
68.05028	1.6
69.03430	19.3
69.07066	1.6
69.74999	2.0
71.04983	0.4
79.05481	2.4
81.03423	0.7
81.07045	2.7
83.08609	0.6
86.06068	100.0
87.04472	2.0
91.05484	2.2
93.07045	2.5
95.04964	1.4
95.08602	2.8
97.10172	0.7
97.19251	0.3
104.07109	2.6
105.07030	1.8
107.04957	0.6
107.08586	1.3
109.06516	0.4
109.10147	3.0
111.11640	0.3
117.06999	0.7
119.08597	1.7
121.06479	2.3
121.10124	2.1
123.04381	0.5
123.08021	0.4
129.20844	0.3
131.08571	0.6
132.91010	0.3
133.06491	0.4
133.10120	1.3
135.08067	0.6
137.02361	0.4
137.09621	2.2
139.11189	1.0
145.10129	0.8
147.11708	1.0
157.10057	0.4
159.11740	0.5
161.13344	0.3
162.09129	0.6
162.12782	0.6
175.11484	0.3
179.10689	0.3
193.34239	0.3
195.05542	0.3
203.12791	1.3
204.13849	2.1
228.23251	0.4
253.09723	0.6
257.08118	1.1
275.20090	3.5
282.18500	0.5
293.21094	1.0
298.21463	0.3
327.13412	4.2
396.27454	12.2
397.21292	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	2.3
56.61060	0.5
67.05469	2.5
69.03394	1.2
69.07032	2.3
69.07365	0.5
69.26015	5.1
70.06552	1.4
71.04957	0.9
79.05457	2.6
80.05013	3.8
81.03371	1.7
81.07041	3.8
82.06541	0.6
83.04944	0.7
83.08583	1.1
85.02856	0.6
85.82217	0.6
86.06036	0.9
87.04465	15.7
91.05450	2.3
93.07040	2.9
94.06544	1.2
95.04956	0.6
95.08601	3.0
96.08092	1.0
98.06021	2.3
100.11246	1.1
102.05479	0.6
105.06992	2.3
107.04939	1.0
107.08548	2.3
108.08072	2.1
109.10081	0.8
110.09657	1.9
112.07495	0.7
114.09145	0.7
121.10090	1.6
122.09674	3.5
123.10355	0.7
123.11755	0.8
124.07546	1.2
124.11179	0.9
127.03864	0.8
131.08595	0.6
133.10126	1.2
135.11699	1.1
136.11186	1.9
137.05969	1.1
142.08571	0.7
145.10089	0.8
146.10414	0.8
148.07530	0.6
149.05891	1.6
159.07993	0.6
159.11533	0.6
163.11157	0.6
166.08649	4.7
170.11588	0.6
177.05423	2.7
178.12193	0.6
180.10182	1.4
182.11734	0.8
184.09668	1.1
184.13216	1.1
188.33771	0.6
191.06927	0.6
194.11736	3.7
196.13292	0.8
208.13312	3.8
209.14143	0.7
210.14771	0.8
218.15417	0.6
222.14900	1.3
224.16490	0.7
236.16446	2.2
246.18547	1.9
248.20135	3.0
249.18600	0.7
257.08170	0.8
264.19669	2.0
266.21106	8.6
308.18463	1.3
322.20041	3.2
334.23724	1.0
350.23422	0.9
352.24808	100.0
353.25113	3.4
396.27444	84.0
397.28146	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	396.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86527	1.5
55.01863	3.2
55.05489	1.8
55.54628	1.4
56.96579	1.8
58.06617	1.7
59.27533	1.6
60.04505	1.8
65.03921	3.3
67.05521	3.7
68.99796	1.9
69.03434	4.6
70.02946	2.1
70.06573	2.6
71.58398	2.9
79.05489	3.2
81.03406	2.0
83.04973	10.9
84.04490	3.3
84.08150	1.9
85.02900	5.4
88.03995	5.8
89.03915	3.4
91.05475	4.4
93.03385	3.3
95.04961	5.9
96.04507	2.1
97.02908	2.3
103.05464	6.6
105.07062	3.9
106.06543	3.3
107.04961	13.1
111.04462	8.5
115.05453	4.8
117.03365	4.7
120.08100	16.9
123.04432	6.4
127.03925	2.4
130.06519	4.0
131.04919	17.3
132.04424	2.6
132.08066	3.4
133.02832	8.2
133.06508	5.1
134.05983	2.3
135.04425	12.9
136.03880	3.8
136.80084	1.6
137.02386	1.9
139.03899	4.9
143.04906	6.1
145.02827	5.7
147.04387	3.6
148.07573	19.4
149.06010	2.1
150.09154	3.7
151.03893	1.8
158.06021	4.4
159.04398	8.7
160.03906	2.4
161.06012	8.9
162.05479	12.9
163.03909	52.3
166.08617	3.4
176.07077	84.7
177.05548	4.9
177.07550	2.9
178.05020	7.3
178.08664	20.2
179.03352	7.8
185.05576	2.5
186.05484	3.1
187.03911	23.2
204.06563	100.0
205.07065	3.3
222.07596	42.3
234.09787	4.1
266.17307	2.1
303.39343	2.0
320.18344	1.8
350.12109	2.3
378.11450	2.8
396.12912	78.9
397.12613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2216
Annotation	Kazinol A
Peak:m/z	Relative Intensity
53.03941	0.6
55.01876	0.7
59.04995	0.5
62.12140	0.4
67.05499	1.1
69.03432	0.6
69.07069	0.9
69.32919	1.1
69.33327	4.1
79.05481	1.0
81.07059	3.1
86.22568	0.5
91.05489	2.1
93.07042	1.4
95.04950	1.3
95.08585	1.0
97.02875	1.7
105.07070	1.0
107.04935	1.6
107.08606	0.7
109.06496	0.5
109.10146	0.8
119.08529	0.8
121.02829	0.6
121.06505	1.2
121.10126	0.7
123.04439	3.8
129.06903	0.5
134.03581	0.9
135.04410	0.8
137.05984	7.3
145.10124	0.8
147.04388	1.7
149.05977	5.3
153.07050	0.5
155.08517	1.3
157.06468	1.1
157.10188	0.5
159.11768	0.6
161.06046	0.7
163.07626	0.4
165.05630	0.5
165.06999	2.0
171.08142	0.7
182.07207	0.6
183.08037	1.8
185.06009	1.4
187.07562	1.5
189.12721	0.6
189.38254	0.5
197.05968	1.7
197.09641	0.7
199.07645	1.0
200.08434	0.8
210.06731	1.9
211.07542	2.2
212.08344	0.6
213.05441	2.2
215.10745	0.6
225.09021	3.1
227.07158	1.1
228.07909	2.5
229.08612	1.3
239.07005	1.9
253.08591	0.9
255.06511	0.7
256.07361	1.9
271.09650	100.0
272.07462	0.5
272.09979	3.1
321.11288	1.4
331.26413	0.5
339.11963	0.7
395.17685	0.8
395.22266	2.1
395.29398	0.6
412.45941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.185
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
55.01859	1.9
55.05498	0.7
56.96555	0.8
57.17829	0.6
60.37300	0.6
65.03935	0.8
67.05491	2.4
67.93541	0.5
69.07050	1.6
69.37530	5.6
69.37943	1.3
71.04982	0.6
74.06055	0.6
79.05479	1.5
81.07040	2.4
86.39729	0.6
91.05465	1.9
93.07041	3.5
95.04970	1.5
95.08584	2.4
98.21486	1.2
105.07013	1.7
107.04931	0.8
107.08569	3.5
109.06470	0.8
109.10133	4.7
116.58184	0.6
117.06989	0.9
119.08540	1.2
123.04419	3.2
128.06215	1.2
131.08542	0.9
134.03606	0.9
135.11681	1.4
141.06891	0.8
143.08588	0.9
145.10114	0.9
147.04393	2.5
151.11215	0.9
153.06967	2.2
155.08559	1.0
157.04581	0.6
157.06503	1.3
163.11293	0.6
165.07039	0.8
171.08043	1.9
173.05972	1.3
181.06476	2.4
184.05151	0.9
185.05804	0.9
187.03824	0.8
189.59674	0.7
199.07588	4.1
211.07486	1.5
227.07033	20.0
228.07323	1.6
239.07043	2.2
239.39287	0.7
242.05630	1.2
255.06519	100.0
256.06879	4.9
257.08081	29.2
258.08423	1.5
269.08136	2.6
293.08136	1.1
294.08420	1.1
295.09558	4.0
296.10294	0.8
303.23029	1.2
306.35818	0.7
371.84485	0.7
377.17276	1.7
395.18396	3.3
416.52356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
56.59940	1.8
56.96555	3.4
58.18702	2.1
67.05505	5.1
69.03429	5.8
69.07065	4.5
69.55946	10.2
69.56352	4.6
72.01640	1.7
79.05491	5.6
81.03404	8.0
81.07053	9.4
82.20828	2.0
83.04972	3.1
84.96002	1.9
85.02921	3.6
91.05470	7.4
93.07041	7.6
95.04971	4.5
95.08593	6.1
97.02892	3.9
97.06513	4.2
98.29034	1.9
98.97584	2.8
99.04465	4.1
103.05447	2.8
105.07030	16.5
106.72726	1.8
107.04942	3.7
107.08595	7.2
109.02858	3.1
109.06493	3.4
109.10182	2.5
112.70378	2.0
116.98619	2.3
119.08590	5.4
119.24938	1.8
121.06475	9.1
121.10098	2.2
125.05893	3.0
127.03878	3.2
128.98564	3.3
129.07027	2.2
130.06522	20.4
131.04971	2.4
131.08557	4.9
132.04468	2.6
133.05240	5.6
133.06361	2.8
133.10150	2.9
135.04454	2.6
135.08023	3.5
135.11649	3.3
137.05989	35.8
143.08563	3.5
145.06348	2.1
145.10162	12.7
146.05974	3.0
146.99625	4.2
158.06039	17.6
159.11705	8.1
163.11150	10.9
169.07616	2.4
173.09650	6.6
175.07480	4.1
185.07126	6.3
187.11211	10.0
191.10660	3.3
192.08057	3.3
203.19313	2.4
205.12202	2.6
207.06772	1.9
213.06584	6.0
215.08414	1.8
215.10661	8.3
219.01813	5.8
220.07585	7.9
221.08127	2.0
231.07634	34.0
232.07663	2.2
233.08340	8.0
233.11810	4.6
234.07919	7.6
235.06310	20.0
236.06964	10.4
237.02852	11.2
237.07921	2.8
243.09102	5.2
244.07579	4.7
248.07025	7.0
249.07756	2.4
250.08662	32.6
252.10138	4.3
257.08157	3.3
259.08734	4.7
260.07031	4.1
260.09464	3.6
261.07849	16.2
261.10196	3.3
262.07135	10.5
263.05762	4.8
263.09369	3.0
264.06583	15.2
264.10162	4.7
265.07379	2.7
271.08588	7.5
272.06995	3.7
276.10217	22.2
277.09720	48.6
278.08081	37.4
278.10739	4.0
279.08868	25.2
280.09677	6.8
287.08237	3.7
288.06351	5.8
288.08981	16.5
289.07181	6.8
289.09729	8.6
290.07932	4.4
290.10797	3.4
291.08871	6.9
293.10419	7.8
294.11240	3.5
303.11282	25.1
304.09338	11.3
306.10635	2.3
307.08316	3.8
317.06879	6.6
321.12332	46.8
322.10736	4.4
332.09128	5.1
334.09402	8.2
335.07913	12.5
349.11835	100.0
350.10162	40.6
367.12881	43.5
377.11356	58.9
377.15912	4.1
377.21872	2.0
395.12509	13.5
395.16638	3.5
395.20779	3.8
395.25256	2.4
413.10956	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1238
Annotation	Kealiiquinone
Peak:m/z	Relative Intensity
52.37877	1.8
55.01871	2.8
55.05513	3.4
60.52901	2.1
67.05502	5.6
69.03429	6.1
69.07046	4.8
69.97691	7.5
69.98106	4.4
71.04989	3.2
79.05489	8.2
81.03412	8.0
81.07062	8.0
83.04975	3.2
85.02893	4.1
91.05467	11.1
93.07050	9.0
95.04984	4.6
95.08608	7.6
97.02923	3.3
97.06541	3.3
99.04465	2.6
105.07021	13.1
107.04996	5.0
107.08584	6.9
109.02879	2.7
115.05505	2.0
117.07059	4.5
119.04919	2.5
119.08603	2.6
121.06512	9.0
121.10149	2.9
123.04431	4.7
127.03896	4.1
130.06517	16.2
131.08568	8.7
132.04443	3.2
133.05270	7.0
133.10124	5.4
134.99675	3.1
135.08063	2.6
135.11639	2.6
137.05959	33.8
145.10106	13.9
146.99673	4.9
147.04367	2.6
147.11603	2.9
149.09601	3.4
157.07582	2.5
158.06033	19.2
159.08018	2.7
159.11696	7.4
161.05981	2.3
163.07680	2.3
163.11201	13.8
164.07239	1.8
173.09552	4.9
176.07016	2.7
177.09119	2.2
185.07108	5.7
187.11163	10.4
192.08107	3.3
205.12251	3.0
207.06641	3.2
213.06529	3.6
215.10591	10.6
219.01749	3.4
220.07574	8.5
231.07643	31.6
231.09589	3.1
232.07663	3.1
233.08342	8.6
233.11659	3.7
234.07971	8.9
235.06316	20.6
235.08507	3.2
236.07005	11.9
237.02797	9.7
243.09215	5.9
244.07634	4.4
250.08655	32.2
252.10149	3.6
257.08359	2.9
259.08746	6.1
260.09503	3.8
261.07828	13.5
261.10318	3.4
262.07071	11.4
263.05765	3.9
263.09464	3.5
264.06589	9.3
264.10208	3.6
265.07303	2.6
271.08643	9.5
272.06970	3.7
273.07648	4.3
276.10300	20.4
277.09708	46.9
277.12546	4.1
278.08044	38.4
278.10550	3.2
279.08826	26.3
280.09695	7.8
287.08273	4.6
288.06384	5.1
288.09094	17.3
289.07312	8.7
289.09842	5.7
290.07758	4.3
291.09015	4.2
293.10327	6.1
294.11224	3.2
303.11371	26.4
304.09384	14.5
306.10440	2.4
317.06766	4.9
321.12384	39.9
332.09122	5.4
334.09537	6.3
335.07828	11.3
349.11826	100.0
350.10153	39.3
367.12836	37.9
368.13171	2.3
377.11328	65.3
377.15619	2.6
378.11670	2.3
381.04480	2.4
395.12042	13.3
395.16928	3.7
395.25436	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	395.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32296	4.5
53.03906	5.4
55.05499	5.6
56.56821	3.8
56.96558	23.9
67.05516	8.0
69.03432	16.6
69.07058	7.2
70.05502	23.7
70.06572	6.2
71.04984	5.6
79.05492	11.8
81.07064	12.2
84.04486	15.3
84.96038	7.6
85.02899	12.9
91.05474	15.4
93.07050	12.0
95.04983	10.6
95.08591	9.3
97.02927	7.0
97.06532	5.9
98.97579	27.7
99.04457	5.9
105.07034	11.7
107.04954	5.1
107.08609	12.4
109.02827	5.3
109.10158	10.4
110.97593	5.5
116.98612	30.9
119.08616	9.7
121.10107	8.7
127.03905	9.5
128.98630	13.6
131.08510	8.1
133.06555	4.8
133.10135	5.0
134.99678	14.0
135.11707	4.8
145.06451	5.4
145.10123	6.1
146.99640	11.9
147.04504	5.8
149.01323	6.6
161.01221	5.7
163.11176	10.0
170.99641	7.6
173.09772	4.6
173.13219	4.0
175.07469	4.5
177.00711	10.6
185.07114	14.9
187.11214	5.0
191.14276	5.8
202.80487	4.7
207.03302	12.2
219.01756	11.0
225.04373	6.1
231.07726	7.9
237.02835	34.9
254.17570	7.7
309.06436	15.9
327.07507	100.0
335.12640	6.6
350.09024	5.4
363.51239	4.8
395.07349	21.3
395.21738	6.2
395.35355	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	395.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	62.8
71.02586	95.9
71.02926	41.0
71.15772	40.8
81.11435	42.3
98.17983	42.8
98.97610	100.0
115.49013	38.9
116.98582	67.0
129.25313	37.4
175.60149	34.9
211.27066	57.3
212.06142	37.3
213.04295	45.3
219.60716	36.9
239.02448	54.5
257.03311	60.8
418.65405	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	394.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
57.07071	0.7
67.05511	2.0
68.05001	0.4
69.03419	0.9
69.07073	3.3
69.26113	2.6
69.26510	0.6
69.95408	0.2
70.06595	4.1
71.04965	0.3
71.72939	0.2
79.05486	2.8
81.07051	4.6
83.08617	0.9
84.04492	0.3
85.06525	0.3
86.06058	1.3
87.04468	6.8
91.05477	1.7
93.07040	4.4
95.08612	3.3
98.05416	0.5
98.06056	9.1
99.08128	0.3
102.09152	0.4
105.07012	2.1
107.08594	4.9
108.08085	0.3
109.06537	0.5
109.10152	1.1
112.07605	0.4
116.07095	1.5
117.06991	0.4
119.08590	3.6
121.06493	0.3
121.10167	2.2
122.09646	0.4
123.11749	0.3
124.07587	0.8
131.08603	0.5
133.10123	2.3
135.08066	0.6
135.11716	1.6
136.11214	0.5
137.13258	0.8
145.10100	0.4
147.11688	2.3
149.02333	1.7
149.13240	1.8
152.14247	0.3
161.09576	0.3
161.13242	3.5
162.12787	4.2
163.14806	0.9
164.14362	1.2
168.10225	0.5
173.13353	0.3
175.14835	1.2
178.15883	0.8
180.17665	0.3
184.13344	0.5
193.04956	2.1
194.11758	0.7
205.19516	0.8
207.84648	0.3
217.19472	1.3
219.21057	0.5
228.23250	1.2
248.16467	6.3
250.17998	2.9
251.06966	0.3
264.19608	4.6
266.17505	0.3
266.21078	0.7
270.16269	0.3
276.23245	0.3
279.06470	0.5
292.18985	0.4
297.07822	0.5
308.25827	1.1
324.21777	0.9
335.90536	0.3
362.26822	1.1
394.29529	100.0
395.29941	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	394.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14169	0.5
57.07080	21.4
58.98037	0.5
69.43069	5.5
77.28079	0.5
81.04525	0.7
82.05320	4.8
83.06108	1.3
88.46597	0.6
91.05473	0.6
98.20773	1.4
109.03989	8.1
109.04671	0.7
109.07649	2.0
111.09198	2.6
126.04264	1.5
127.05043	28.7
129.07004	0.9
132.44310	0.7
137.07127	3.6
144.04456	1.5
155.08167	3.8
156.04507	1.0
171.09218	0.9
183.07707	0.5
183.09164	4.1
184.07593	9.8
184.11168	1.4
199.08684	1.6
208.08710	0.7
211.08690	1.2
226.09740	6.4
236.11852	1.1
238.09790	2.2
252.11353	0.7
253.12128	3.0
254.12881	33.0
255.13104	1.2
292.18170	2.0
294.16000	16.1
295.16455	0.8
308.17709	0.6
309.18335	12.4
310.19135	53.0
311.19412	2.3
312.34186	0.7
394.24902	100.0
395.25192	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2488
Annotation	Cyenopyrafen
Peak:m/z	Relative Intensity
57.07075	34.8
57.50233	0.7
65.69801	0.7
70.42867	2.1
70.43266	1.7
71.08629	1.0
78.12030	0.7
82.05319	6.3
83.06090	1.8
89.06039	5.9
94.05289	0.8
98.73149	0.7
109.03983	8.2
109.07638	2.1
111.09195	3.1
116.04954	1.3
122.04803	0.9
126.04263	1.0
127.05037	35.7
129.06993	0.8
133.08562	2.0
136.63705	0.7
137.07097	2.9
144.04443	1.6
150.36624	0.7
151.09653	1.1
155.08127	3.9
156.04471	0.8
165.11942	0.8
171.09125	1.3
183.09187	4.3
184.07538	6.9
184.11134	1.1
195.12337	5.5
199.08633	3.2
203.24838	0.7
224.08095	0.7
226.09769	6.9
236.11911	1.4
238.09720	2.8
252.11258	1.0
253.12079	4.1
254.12868	43.8
255.13252	2.0
292.18042	2.0
294.15976	15.3
309.18332	13.1
310.19119	65.3
311.19583	3.7
394.24893	100.0
395.25253	6.1
408.54068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01867	6.1
55.05515	9.1
57.03436	7.1
61.02916	5.6
67.05495	5.5
68.75098	1.6
68.99791	3.7
69.03075	2.9
69.03429	39.4
69.07072	43.7
70.03583	7.7
71.05006	4.2
73.02916	4.7
79.05505	2.5
81.03423	24.4
81.07037	2.8
84.36555	1.5
85.02907	100.0
87.00830	47.3
87.04478	2.6
91.05472	2.6
97.02889	39.8
99.04459	12.4
105.01863	78.4
105.07010	1.8
107.08611	1.9
108.04489	2.3
109.02885	25.9
109.10183	2.0
111.11739	7.3
115.74161	1.6
117.01855	1.6
119.08559	2.0
121.06486	2.1
126.05499	2.4
127.03916	71.1
128.14342	1.8
129.01866	2.2
145.03902	3.2
145.04955	37.7
147.02899	1.8
147.04378	2.1
159.02892	11.2
163.11095	2.1
189.03955	3.8
213.03929	2.3
231.05003	18.4
249.06062	5.4
313.10809	2.1
394.25558	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01882	8.8
55.05518	8.1
57.03440	7.2
61.02932	5.9
67.05508	5.8
69.03426	41.3
69.07066	59.0
70.24242	8.5
70.24633	7.3
71.04976	5.6
73.02917	10.4
75.40231	3.2
79.05489	7.2
80.77296	3.4
81.03419	24.6
81.07047	10.4
83.04990	4.1
85.02425	7.4
85.02905	100.0
85.06535	8.7
87.00832	30.7
88.10406	4.3
91.05499	6.9
91.73786	3.7
93.07047	12.2
95.08611	8.9
97.02885	25.7
99.04456	16.3
105.01864	39.4
105.07020	12.1
107.04938	4.9
107.08586	10.7
109.02887	20.3
109.10117	8.0
111.04472	4.3
111.08083	14.6
111.11742	25.8
115.03955	4.5
119.08576	8.6
121.06573	5.2
123.04417	4.2
123.11682	4.4
126.05520	3.9
127.03924	53.2
127.11185	9.7
129.12740	11.5
131.08591	7.0
133.10127	7.3
135.11728	7.8
136.06183	6.1
137.09572	4.2
139.07544	4.2
139.11183	6.6
141.12712	8.4
143.08539	4.3
145.04953	24.3
145.10115	8.9
147.02895	4.7
147.11703	9.6
149.09543	3.6
151.97501	3.5
159.02892	10.3
159.11734	7.2
162.07764	16.6
163.11224	6.8
165.09114	3.9
179.10747	4.7
189.03918	4.3
192.58047	3.7
201.12761	6.4
219.13818	11.7
231.05026	11.0
235.03764	4.0
237.14761	7.2
249.06023	4.3
252.94727	3.4
276.15747	4.1
297.16989	6.5
323.14825	18.5
341.15784	7.9
394.25983	6.5
394.30850	5.0
407.69040	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	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31155	5.6
56.96339	5.5
56.96568	66.4
59.52480	5.1
69.03423	21.0
69.67188	20.4
69.67616	20.9
72.80279	5.0
81.03395	8.9
83.04990	9.1
84.08150	8.0
85.02893	25.3
86.06618	4.9
91.05489	19.0
95.04982	6.4
97.02893	11.6
98.21482	7.5
98.29379	5.7
98.97580	44.7
99.04456	7.5
103.05457	5.6
107.04983	8.5
111.04411	10.4
111.37936	5.2
112.13797	5.3
116.60529	5.7
116.98627	46.2
117.03394	9.0
119.01774	5.3
119.04927	23.6
126.44328	5.9
127.03902	7.3
128.98608	5.8
134.99667	31.1
135.04382	13.4
136.07591	12.3
137.05974	100.0
139.03917	10.6
146.06020	7.7
146.99655	13.9
147.04404	63.1
148.86322	6.8
153.00677	7.8
158.99597	12.5
161.01199	8.1
163.03918	23.1
165.05443	9.8
166.07230	10.3
177.00745	22.6
177.05374	5.9
179.07053	51.7
182.96353	5.9
186.02208	67.8
187.02637	7.2
197.08047	25.8
202.04959	18.7
213.04338	24.9
214.01740	9.5
214.10779	24.0
219.01842	6.5
220.06181	5.7
231.05370	6.9
232.02745	8.0
237.02870	12.5
239.02315	41.1
250.50073	5.2
257.03293	32.4
269.12311	6.1
281.03351	20.8
285.52658	5.4
377.07922	6.0
394.07941	7.7
394.34433	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26139	5.1
56.70737	5.1
56.96551	28.8
60.89177	4.9
62.88231	4.9
64.63261	5.1
67.05490	5.7
69.03442	12.5
71.05002	7.3
71.57769	10.0
73.02909	6.2
81.03407	11.6
83.04983	5.7
85.02893	27.4
91.05496	9.1
95.04987	5.7
97.02879	12.0
98.97579	23.4
111.04448	7.7
114.05514	12.4
116.98600	27.8
119.04947	18.4
121.06483	7.0
122.05925	4.9
122.91897	4.8
127.03854	9.3
134.03650	6.6
134.99657	15.7
135.04387	9.2
137.06006	49.7
145.04965	6.8
146.06087	7.1
146.99606	8.8
147.04349	36.8
149.04637	8.1
149.05878	6.9
155.03339	8.6
158.99774	5.1
162.03119	7.2
163.03934	20.2
166.07265	100.0
167.07021	13.2
176.07059	6.7
177.00679	16.3
177.05479	12.4
177.60660	4.6
179.07018	24.4
186.02235	28.3
193.01480	5.5
197.08102	6.7
197.16472	5.6
202.04939	19.2
213.04317	13.8
214.04939	7.5
223.05493	9.5
232.03011	5.4
232.05975	14.9
237.02827	11.3
239.02393	26.1
243.56769	6.0
250.53656	5.5
257.03284	19.7
281.03290	15.1
295.07571	21.0
394.35089	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	393.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	29.6
55.05500	50.3
59.97108	13.5
63.12372	15.7
66.20693	13.9
67.05502	55.0
69.03405	34.0
69.07065	80.8
69.84309	91.4
73.60218	15.7
78.74675	15.1
79.05485	52.9
79.25703	19.0
81.03407	38.2
81.07053	100.0
83.04975	17.6
85.02921	36.4
85.06522	49.2
91.05479	59.0
93.07028	54.3
95.04962	32.8
95.08615	81.8
97.06512	38.1
97.10150	42.0
98.21535	17.1
105.07020	57.1
107.08577	53.8
109.06522	20.4
109.10147	46.6
111.08091	91.3
117.07053	29.4
119.08577	42.7
121.10148	50.7
121.50075	16.9
123.11700	33.3
133.10156	26.1
135.11656	27.8
137.05986	40.9
137.09708	19.9
139.11232	26.6
145.06458	21.5
147.04405	20.2
173.05936	25.9
177.05647	21.8
207.06441	17.8
218.52097	18.7
235.05910	22.6
248.15268	27.1
253.17981	47.8
280.17972	20.5
303.23090	34.4
321.24240	37.4
386.80844	18.7
393.11349	44.3
393.19211	17.8
393.24777	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48431	6.4
53.03938	9.7
55.05502	24.6
57.07070	30.6
67.05506	43.0
69.07052	17.3
69.28583	81.9
71.08627	17.1
75.88508	6.9
77.65675	7.0
79.05498	38.5
81.07062	83.9
83.04986	8.9
83.08610	18.2
84.50373	6.5
85.10174	16.1
85.11061	6.7
91.05485	61.6
93.07047	100.0
95.04972	72.0
95.08611	70.1
97.06510	16.5
97.10162	6.5
97.19303	7.4
98.20737	15.9
98.98464	39.4
105.07028	97.5
107.04962	8.3
107.08591	64.6
109.06547	15.2
109.10159	49.8
111.07996	7.2
117.06995	16.1
119.08579	90.0
121.06504	24.9
121.10126	42.5
123.08160	8.5
123.11688	15.3
128.06224	12.1
129.07016	16.4
130.07797	13.9
131.08539	32.2
133.10141	63.5
135.08044	10.5
135.11694	23.4
141.06979	10.5
142.07767	24.7
143.08554	35.9
145.10123	75.4
147.11684	19.5
154.27301	8.2
155.01044	49.9
155.08517	10.0
155.73172	7.1
156.09355	8.7
157.10133	64.0
158.11035	8.8
159.11714	50.7
161.09607	20.8
169.10158	22.5
170.10930	9.2
171.11697	25.7
173.13210	26.8
175.11261	7.6
175.14761	11.1
179.08572	12.5
181.10205	10.4
183.11679	24.7
185.13257	12.3
187.11198	7.6
187.14835	15.7
195.11703	19.0
197.13307	15.4
199.14745	11.2
201.16348	17.2
209.13297	16.0
221.13327	10.8
223.14862	9.5
225.16270	8.0
375.26511	10.6
393.27597	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	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.07080	14.8
58.07410	3.2
59.37474	1.9
63.41003	1.7
67.05505	3.6
67.93176	1.7
69.07072	2.0
69.87520	11.8
79.05491	3.3
81.07055	3.9
91.05498	2.3
93.07047	2.1
95.08608	3.7
98.06083	2.3
105.07036	2.8
107.08611	3.0
119.08634	2.1
121.10172	2.5
131.05376	1.9
133.06488	1.9
208.11638	2.4
230.56242	2.0
271.06012	6.1
295.05716	1.7
308.19589	2.0
309.20016	6.6
375.15714	3.3
375.24872	8.4
379.31937	1.9
388.84549	1.8
393.17480	4.9
393.26196	100.0
394.26352	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	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
56.94067	0.8
57.07072	2.6
63.60477	0.7
66.73888	0.7
67.05498	1.8
69.07047	0.7
71.32645	1.7
79.05489	1.5
81.07057	2.8
85.31504	0.7
91.05486	1.2
92.48518	0.8
93.07027	1.2
95.04947	1.2
95.08620	1.7
105.07050	1.1
107.08591	0.9
121.10215	0.8
121.90731	0.9
133.10133	1.0
147.04504	0.8
155.67210	0.7
187.07523	1.2
199.07564	0.7
271.05981	2.1
309.19846	1.1
365.50891	1.0
375.15927	2.9
393.26123	100.0
394.26416	6.5
412.93890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
67.05511	1.3
69.03446	1.0
69.68474	5.5
71.05002	1.1
81.07067	2.5
84.08191	0.9
85.02896	1.5
91.05454	1.3
93.07051	1.9
95.08616	2.1
97.02883	1.2
105.07032	3.2
107.08572	1.4
109.02868	1.3
109.10154	1.6
111.83356	0.8
123.04443	0.9
123.11714	1.1
135.04434	1.1
136.77232	0.9
145.12259	1.9
147.04440	1.0
159.07996	1.0
186.02354	1.0
271.04260	1.4
307.11584	6.0
336.89975	1.0
349.12604	41.9
350.12955	2.1
393.11594	100.0
393.19083	2.8
394.11795	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	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40163	0.4
58.06592	0.3
59.56440	0.3
60.60308	0.4
66.64278	0.4
67.05476	0.4
68.04996	1.6
70.06577	0.7
71.13722	0.9
79.05526	0.4
80.33277	0.5
85.02886	0.6
91.05441	0.5
95.04974	0.4
98.20786	0.4
107.04930	0.6
108.34106	0.4
130.04962	0.8
131.04929	0.8
131.05943	0.4
137.05980	0.6
140.03430	0.7
149.04599	1.1
155.08435	0.4
165.05482	1.0
166.07333	0.4
172.06032	0.8
175.07649	0.5
178.87016	0.4
189.06483	0.6
201.06389	1.9
202.07184	1.6
203.07948	1.5
204.08813	6.6
207.06538	1.1
214.07260	1.1
215.07993	1.7
216.08797	100.0
217.09422	3.3
218.10364	5.2
225.06456	10.3
226.07230	3.5
227.07942	1.0
228.08865	0.8
229.09471	0.6
230.10365	10.6
240.08786	52.8
241.09520	2.7
242.10422	0.6
246.09857	5.9
258.09891	2.6
268.08270	4.9
272.11395	3.8
283.09457	0.8
289.58823	0.4
300.10892	52.6
301.11185	1.6
311.08762	0.8
315.12027	1.2
333.13034	3.5
335.39175	0.4
343.11484	1.9
361.12582	5.5
369.30615	0.4
375.14145	3.9
387.54120	0.4
393.15121	17.7
405.30130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76073	22.6
52.37402	22.3
54.25666	22.9
56.96558	85.0
60.27540	24.6
61.02915	28.0
69.03427	39.1
70.06568	27.0
70.20331	94.9
73.02892	31.5
74.14468	22.6
77.82990	25.9
85.02889	62.2
97.02851	43.8
98.97604	40.8
116.98589	29.1
127.03922	38.1
129.23511	21.5
162.93961	25.2
163.03847	22.2
170.99597	27.4
185.03793	100.0
189.00706	25.0
191.03893	27.1
203.02180	23.5
221.06894	32.2
231.04738	24.3
247.04231	45.5
393.05353	47.5
393.10135	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	392.2429
Annotation	Pentagydine
Peak:m/z	Relative Intensity
52.12231	1.1
53.12174	1.1
55.01863	1.5
55.05511	17.8
56.58918	1.1
56.79086	1.1
56.96559	2.1
67.05486	6.1
69.03426	2.6
69.07061	4.9
70.06636	1.1
70.49677	4.3
71.05032	1.3
71.98566	1.2
75.48351	1.3
79.05508	5.0
80.05013	3.0
81.07062	6.5
83.08611	8.7
87.04475	14.2
91.05454	1.8
93.07034	2.2
94.06568	14.9
94.99270	1.2
95.04951	1.4
95.08617	1.7
97.10167	12.4
105.07076	3.0
106.06525	1.6
107.04958	1.4
107.08621	3.6
108.31007	1.3
109.10179	1.5
117.07033	1.6
119.08594	2.2
120.08111	3.0
125.09669	4.8
132.08044	2.6
133.10136	1.4
134.09607	6.4
135.19762	1.2
136.07561	1.5
136.11177	6.9
145.10060	1.3
146.09695	1.4
148.07570	16.0
148.08516	1.2
149.02339	2.0
150.02751	1.7
150.09146	6.0
160.11308	2.4
161.08414	3.1
162.09138	21.6
166.08688	2.4
174.09227	4.1
176.10834	2.2
178.08664	1.4
180.10213	10.0
188.10773	4.5
190.12350	1.6
192.10255	2.3
200.10756	2.5
202.12256	34.7
204.13921	4.2
206.11794	2.5
220.13501	2.2
222.14906	15.0
230.11836	2.3
268.17133	4.0
286.18033	8.5
302.17587	4.7
310.21869	2.2
314.17627	1.8
328.22858	3.9
332.18542	10.9
338.21274	3.4
350.19830	6.1
351.18793	2.0
356.22165	18.5
356.26221	1.7
374.23303	22.9
374.27512	2.1
378.82584	1.5
392.24500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21770	1.1
53.24378	0.9
56.96566	16.5
67.05482	1.1
68.96652	0.9
71.95259	4.1
74.97610	1.1
81.07056	1.4
87.20133	1.4
98.20798	2.6
98.97536	1.2
110.97585	4.6
116.98647	1.2
122.79010	1.0
128.98596	9.1
129.99365	1.9
134.99603	1.2
143.00172	1.9
145.10205	1.2
146.99641	12.8
148.00475	5.8
149.02275	1.5
155.03893	1.0
157.57799	1.0
160.00426	3.8
161.01212	4.6
165.00723	3.7
166.01413	1.5
171.03304	3.5
173.01253	1.6
179.02338	2.2
184.04140	1.8
185.04897	2.6
186.01978	1.3
187.02658	1.2
189.04378	5.1
191.02173	1.3
197.01215	2.7
199.06465	3.5
201.00723	1.8
201.04352	2.8
202.05154	2.2
203.05945	3.8
207.05251	1.1
211.02818	1.0
211.06354	1.6
215.02301	9.8
215.05850	2.0
217.07458	8.2
219.09181	1.4
227.05930	4.4
229.03700	1.4
229.07489	7.6
231.09084	2.7
238.03946	1.6
239.05901	5.4
240.06770	3.5
244.06248	1.8
245.06941	5.3
247.08510	6.8
257.06943	19.2
258.07742	18.1
275.07950	6.6
276.08719	12.1
280.08578	1.7
281.09238	1.7
290.06653	2.4
309.17313	5.1
333.17365	10.5
351.18387	38.3
352.18756	1.5
369.19482	100.0
370.19745	3.8
374.19867	1.8
387.20511	12.5
392.20935	19.6
392.25375	1.6
392.36774	1.3
393.21530	1.9
393.26398	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	6.8
55.01874	8.1
56.96582	7.4
63.59421	7.3
67.05510	18.3
69.03417	9.7
69.07049	14.9
69.47183	44.4
70.06592	7.1
71.05001	10.7
79.05475	32.4
79.61620	6.2
81.03400	6.2
81.07054	38.8
83.04968	10.7
85.06526	7.3
86.09713	9.0
91.05493	25.0
93.07047	76.2
95.04946	12.2
95.08617	18.9
97.02909	23.2
97.06552	16.9
99.04467	29.0
105.07030	38.2
107.04980	11.5
107.08589	38.1
109.06533	26.0
111.08083	10.9
119.04932	9.9
119.08585	24.5
120.08125	17.1
121.06508	90.9
123.04459	6.9
123.08057	7.8
126.03729	7.9
127.07545	8.5
131.08565	11.6
133.10129	20.7
135.04408	8.6
135.08057	22.2
137.05991	14.4
143.08528	11.8
145.10153	8.8
147.04430	6.5
147.11685	43.3
149.02397	8.0
153.09053	7.5
157.10133	13.9
161.13371	11.1
165.12753	10.7
171.11687	20.5
173.09702	10.0
175.03915	10.3
175.11241	22.4
189.09038	6.1
189.12740	22.4
193.12263	17.6
199.11198	20.8
207.06537	15.7
207.13820	26.7
213.11563	10.8
216.40479	7.7
217.12267	64.5
235.13292	100.0
246.09480	21.6
249.98552	7.4
253.14320	67.3
392.24084	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	392.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
58.54132	0.7
61.02915	1.3
68.75906	0.6
69.03424	2.2
69.89119	2.4
69.89554	2.4
73.02898	0.8
74.55762	0.7
85.02906	8.4
86.49649	0.7
97.02884	2.9
119.46054	0.7
125.05956	1.8
127.03962	1.0
138.03165	0.8
140.36874	0.9
141.05450	1.2
145.04958	1.6
153.05470	100.0
154.05809	1.9
159.38272	0.7
163.03961	1.4
195.06543	25.9
213.05544	1.2
213.07596	22.0
261.07709	0.8
340.16931	0.8
344.00931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01855	2.4
56.96543	0.7
61.02933	0.9
65.03890	0.7
69.03422	2.2
70.89285	0.6
71.04984	0.6
71.16810	1.4
73.02910	0.6
77.60145	0.6
81.03390	0.9
83.04981	0.7
84.03587	0.6
85.02910	7.4
97.02887	2.6
109.02873	1.5
113.54414	0.7
125.06002	1.8
127.03934	1.6
135.04388	0.6
138.03091	1.0
144.04808	1.0
145.05014	1.4
153.05470	100.0
154.05846	0.9
155.32239	0.7
163.03906	2.6
167.07098	1.2
195.06529	28.0
213.07582	22.3
262.66071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.7
56.96562	1.4
57.07103	0.7
59.20127	0.5
61.02927	0.8
67.05490	2.2
69.03428	0.7
69.07052	2.1
69.47955	0.6
71.03922	1.6
71.04291	0.9
79.05476	0.7
81.03406	0.7
81.07047	1.1
82.71890	0.7
83.08652	0.7
85.02898	0.7
91.05479	1.2
93.07037	1.0
95.08589	1.0
97.02885	0.7
105.07036	0.9
109.10156	0.9
118.59359	0.6
135.11583	0.6
137.06021	0.8
143.85455	0.7
145.10179	0.6
149.02380	4.3
155.94852	0.6
167.03461	0.7
229.14320	0.6
321.16721	2.2
350.17334	1.1
351.18314	1.7
368.18231	1.4
369.19080	1.0
391.24548	100.0
392.20471	0.7
392.24982	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	18.1
55.22798	4.3
56.63552	4.6
56.87539	4.4
57.07066	10.1
67.05499	28.0
69.03416	11.9
69.07053	15.7
69.97974	23.1
78.42448	4.3
79.05493	31.4
80.13027	4.3
81.07059	58.7
83.04986	5.5
83.08598	9.7
85.06483	4.5
91.05484	39.9
93.07050	52.3
95.04971	47.5
95.08595	33.3
97.10117	5.7
105.06392	6.9
105.07040	79.5
106.07368	6.7
107.08606	36.8
109.06483	13.5
109.10152	10.9
115.05422	6.5
117.07014	18.3
119.08590	68.6
121.06506	16.0
121.10137	18.7
122.10548	4.9
123.08105	7.1
128.06239	13.0
129.07008	14.9
130.07816	9.1
131.08592	28.7
133.10135	16.6
135.08029	9.6
141.06958	8.6
142.07764	11.2
143.08549	35.4
144.09285	7.1
145.10123	53.0
147.08046	12.3
147.11665	12.6
149.02336	31.7
149.09622	5.3
154.07770	6.7
155.08551	16.8
156.09306	12.7
157.10135	48.6
159.08067	12.8
159.11690	21.5
161.09605	13.0
161.13312	5.4
165.06984	11.8
167.08577	15.3
168.09296	7.0
168.57362	5.6
169.10149	26.2
171.11711	14.7
173.09604	12.9
173.13206	10.9
175.14865	7.1
179.08534	16.1
180.09283	4.7
181.10136	20.8
182.10948	6.3
183.08006	4.8
183.11676	21.6
185.09567	5.9
193.10136	20.7
194.10933	11.1
195.11684	22.4
196.12366	6.0
197.13229	25.0
199.11182	10.2
199.14760	7.2
203.14407	5.1
205.09911	5.2
206.10925	11.5
207.11714	17.7
208.12434	6.2
209.13298	21.7
211.11301	5.7
211.14810	7.8
213.12843	5.2
217.10208	5.7
218.10864	7.7
219.11647	8.6
220.12492	8.5
221.13274	15.1
223.14774	14.4
225.12791	5.2
233.13145	8.3
233.15312	6.3
234.13962	6.5
235.14807	17.9
237.12801	4.8
245.13274	8.2
247.14886	8.5
249.16304	9.9
259.14832	5.2
263.17911	7.5
267.17133	6.1
275.17944	6.5
277.19687	6.2
279.17502	5.7
282.19855	7.1
289.19498	5.0
291.17279	5.9
293.18820	7.3
295.20712	6.1
315.20938	4.8
317.19028	7.0
329.32330	5.4
335.20203	8.2
373.25104	24.7
391.26172	100.0
391.36142	18.6
392.26413	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	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29721	0.3
53.60778	0.4
56.96575	1.7
67.05491	0.5
69.07030	0.4
70.04968	0.3
70.06567	0.4
70.28226	1.3
70.28568	0.5
71.08612	0.5
79.05501	0.5
80.94756	0.3
81.07050	0.7
93.07033	0.5
95.08617	0.5
98.21469	0.4
107.08570	0.5
109.10114	0.4
109.69092	0.4
116.90479	0.4
121.10094	0.5
149.02359	2.0
155.03320	0.4
167.36012	0.4
188.48091	0.4
203.05814	0.4
207.44716	0.3
244.48285	0.4
317.20825	0.8
322.12070	0.5
332.16281	0.6
350.17175	2.5
367.17685	0.5
368.18259	2.7
391.24536	100.0
392.24796	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.7
56.96562	1.4
57.07103	0.7
59.20127	0.5
61.02927	0.8
67.05490	2.2
69.03428	0.7
69.07052	2.1
69.47955	0.6
71.03922	1.6
71.04291	0.9
79.05476	0.7
81.03406	0.7
81.07047	1.1
82.71890	0.7
83.08652	0.7
85.02898	0.7
91.05479	1.2
93.07037	1.0
95.08589	1.0
97.02885	0.7
105.07036	0.9
109.10156	0.9
118.59359	0.6
135.11583	0.6
137.06021	0.8
143.85455	0.7
145.10179	0.6
149.02380	4.3
155.94852	0.6
167.03461	0.7
229.14320	0.6
321.16721	2.2
350.17334	1.1
351.18314	1.7
368.18231	1.4
369.19080	1.0
391.24548	100.0
392.20471	0.7
392.24982	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67217	0.6
55.05500	1.0
56.05030	1.8
57.03435	1.5
61.02917	1.8
67.05502	5.8
69.03413	1.3
69.04548	5.0
69.07079	0.8
70.29109	2.8
73.02908	1.6
80.46475	0.7
81.03419	2.5
81.07046	1.4
83.04979	0.8
83.19534	0.8
84.04552	0.8
84.08128	0.7
85.02886	2.9
85.04036	0.9
85.06567	1.0
86.09693	5.8
91.03942	0.9
91.05442	0.9
93.07032	1.6
93.54108	0.8
95.04350	0.8
95.08609	1.2
97.02894	2.0
101.07127	3.9
106.06593	0.8
107.08601	1.2
109.02868	1.3
109.10159	6.5
111.08117	0.8
119.08572	1.4
127.03960	1.4
127.05025	0.8
130.06523	100.0
131.06860	2.2
132.04449	22.4
132.08139	1.3
132.10191	1.7
141.05632	0.8
142.06493	0.9
145.07674	0.8
146.05998	3.2
149.02344	2.9
155.06039	3.2
157.07622	10.9
158.06020	15.0
159.09189	3.6
162.05449	0.8
169.07617	2.6
170.05977	0.9
171.09218	1.0
173.07127	6.1
173.11714	3.9
174.05505	1.9
175.08690	7.6
181.07573	2.4
185.07069	3.9
186.05560	2.1
187.08672	1.9
197.07088	6.3
198.10307	1.1
199.08629	3.1
199.10777	2.1
202.72444	1.0
203.08151	5.6
213.06544	1.2
214.09689	2.5
215.08098	3.5
225.06590	8.6
228.13448	1.8
229.14308	4.4
232.10837	12.0
242.09259	4.5
243.07640	30.2
260.10333	9.8
310.15643	1.3
316.16544	4.7
327.17899	0.9
334.17328	1.2
356.16010	3.1
373.18695	2.7
391.08139	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	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	5.0
56.96566	71.9
67.05506	3.2
68.02422	2.5
69.07076	3.5
70.62041	8.8
70.62436	3.9
71.95252	3.7
81.07043	3.6
85.02907	3.0
91.05441	2.5
95.08598	3.7
103.63438	2.6
103.82255	2.7
105.07016	3.2
109.72504	2.4
110.97598	3.5
128.98593	5.8
129.78168	2.4
137.02711	2.6
146.99623	8.3
155.03821	5.2
160.11258	3.9
166.29610	2.6
171.03291	6.9
177.91747	3.1
183.06857	3.0
185.04890	6.9
187.02800	3.3
189.04306	9.6
193.05429	2.8
199.06424	6.5
203.05898	9.4
209.05093	2.8
211.06429	5.6
213.07977	15.4
217.07492	20.9
225.07957	7.0
229.07501	5.4
231.09044	24.7
237.08020	4.5
239.09619	4.2
243.08928	8.2
245.10582	6.3
249.08015	4.7
251.09340	12.1
255.09026	23.6
257.10699	6.3
266.10507	2.8
267.09094	29.8
269.10580	100.0
273.10022	22.6
278.10742	5.2
280.09891	3.0
285.10110	59.0
287.11621	51.5
292.12225	12.0
303.11090	7.5
308.11765	6.5
310.13379	3.5
318.02982	2.7
331.15915	7.8
349.16928	26.7
367.17957	42.5
372.18216	4.7
372.29019	12.4
385.18997	7.5
390.19412	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	390.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	94.1
61.02933	3.3
67.05469	2.8
69.03405	3.0
71.58923	4.4
71.95270	7.4
81.07062	4.3
93.42530	3.6
98.97626	3.3
107.04937	5.8
116.98573	3.9
117.07059	2.9
123.01169	3.1
128.98579	9.0
134.99644	4.0
137.05940	3.7
141.28676	3.0
146.99626	14.7
149.01231	4.4
155.03780	4.6
157.01701	5.1
168.37851	3.0
169.01712	4.1
171.03253	9.6
173.04863	3.9
185.04898	13.3
187.02696	5.6
189.04343	16.2
191.05794	4.4
195.06612	4.2
195.23625	3.1
199.06416	11.1
203.05856	18.5
207.07021	3.1
211.06400	7.4
213.07979	11.3
215.06044	4.1
217.05550	4.5
217.07463	28.9
221.08601	3.5
225.07967	9.2
227.09544	7.5
229.07349	4.8
231.07080	4.2
231.09067	24.9
239.09471	7.8
243.09070	12.8
245.10567	9.5
249.07930	11.0
251.09579	11.5
255.09030	41.0
257.10507	5.0
259.12210	4.4
267.09045	57.1
269.10587	88.8
271.08307	4.4
273.10120	29.4
285.10077	96.1
287.11627	45.1
290.10492	4.6
292.12207	10.9
303.11115	10.7
307.15692	3.6
308.11636	7.6
331.15735	20.5
349.16821	56.6
350.17105	3.6
367.17920	100.0
372.18500	6.8
385.18878	13.9
390.19308	16.1
390.23303	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	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
56.96565	29.0
59.04987	1.3
69.31539	15.5
71.95252	2.5
81.07056	3.3
84.96030	1.5
105.07042	1.5
114.83524	1.4
128.98663	2.2
141.02322	1.4
146.99626	6.0
157.01802	1.6
159.03291	1.6
161.01202	1.7
165.00729	1.7
166.78186	1.3
171.03299	2.5
185.04898	2.7
187.02942	2.0
189.04375	2.3
191.05832	1.6
197.04945	1.5
199.06445	2.4
203.05908	4.7
213.08018	2.4
217.07483	4.7
225.07980	1.7
227.05894	2.6
229.07523	1.8
231.09085	3.9
239.09648	1.7
241.07474	2.4
243.09061	2.3
253.11060	2.7
257.10599	3.6
269.10663	3.9
271.12149	2.8
287.11740	3.7
297.89194	1.6
331.15775	46.5
349.16858	100.0
350.17386	2.2
367.17941	53.9
372.18405	14.8
390.19485	8.2
391.01373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.31767	0.3
55.01857	0.3
55.05499	0.9
56.96576	0.3
68.05026	0.3
69.03413	0.9
69.07058	0.4
69.83314	0.4
69.83726	1.2
79.05061	0.4
79.05499	5.3
80.05003	2.0
81.03403	0.9
81.05804	6.1
81.07059	4.1
82.06581	0.4
84.04501	0.3
85.02889	0.9
87.00799	0.5
88.39441	0.2
94.06561	1.0
95.04970	0.6
96.04483	0.3
96.08132	18.9
97.02904	0.4
97.06541	0.5
97.08480	0.3
98.06065	0.3
99.04420	0.4
105.01862	0.2
106.06564	2.6
107.04972	1.0
109.02905	0.4
109.05265	0.3
110.06050	0.3
124.07594	100.0
125.05992	1.2
125.07961	1.7
127.03907	0.5
134.99692	0.3
142.08627	1.0
146.06003	0.3
153.05576	0.3
163.03815	0.3
210.11224	0.3
228.12389	0.4
390.18082	0.9
391.15701	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
56.96565	29.0
59.04987	1.3
69.31539	15.5
71.95252	2.5
81.07056	3.3
84.96030	1.5
105.07042	1.5
114.83524	1.4
128.98663	2.2
141.02322	1.4
146.99626	6.0
157.01802	1.6
159.03291	1.6
161.01202	1.7
165.00729	1.7
166.78186	1.3
171.03299	2.5
185.04898	2.7
187.02942	2.0
189.04375	2.3
191.05832	1.6
197.04945	1.5
199.06445	2.4
203.05908	4.7
213.08018	2.4
217.07483	4.7
225.07980	1.7
227.05894	2.6
229.07523	1.8
231.09085	3.9
239.09648	1.7
241.07474	2.4
243.09061	2.3
253.11060	2.7
257.10599	3.6
269.10663	3.9
271.12149	2.8
287.11740	3.7
297.89194	1.6
331.15775	46.5
349.16858	100.0
350.17386	2.2
367.17941	53.9
372.18405	14.8
390.19485	8.2
391.01373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27267	0.9
53.03950	2.0
54.08646	1.0
55.01862	1.2
57.03434	1.5
59.06105	1.0
60.04506	1.2
62.41524	0.9
67.05510	1.1
68.99758	1.0
69.03413	3.9
69.07065	1.4
70.37597	3.2
73.02889	1.0
74.43073	0.9
79.05500	8.4
80.04298	0.9
80.05036	1.1
81.03410	3.7
81.05789	1.9
81.07050	2.8
83.04949	1.6
85.02918	9.3
87.00828	3.4
89.06028	1.9
95.04967	3.4
96.08131	11.1
97.02882	3.8
98.06000	1.3
99.04462	1.4
105.01861	4.2
105.04480	1.4
106.06572	1.6
107.04957	100.0
108.05252	1.9
109.02866	5.1
121.06485	1.4
123.04408	3.3
124.07591	47.4
127.03913	5.9
137.05974	2.2
139.03896	1.5
142.08578	1.8
142.44781	1.1
145.04950	3.1
149.05928	2.4
153.05470	28.2
159.02905	1.4
173.05884	1.0
178.05081	1.2
184.09633	2.9
189.03967	1.1
193.08629	2.0
231.05029	2.3
233.08133	1.2
238.10632	1.5
250.10776	1.2
390.13913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
54.03457	0.5
55.01869	0.6
55.05508	0.5
56.96573	0.3
57.03433	0.9
58.91074	0.3
61.02928	0.6
64.69254	0.3
68.05039	0.6
69.03442	3.0
69.72546	0.3
70.06575	0.4
71.03842	0.4
71.04176	0.6
73.02921	0.7
78.33574	0.3
79.05498	7.8
80.05019	1.1
81.03422	2.8
81.05803	4.7
81.07062	8.8
82.02943	1.1
82.06593	0.6
83.03732	0.4
84.04501	0.8
85.02911	4.8
86.06077	1.4
86.09733	0.9
87.00825	1.7
94.06575	1.3
95.04989	1.1
96.04510	3.3
96.08135	11.7
97.02895	1.4
99.04482	1.0
105.01884	0.6
106.06569	1.4
107.04951	0.7
109.02895	2.0
112.07618	2.0
124.07597	100.0
125.07980	1.3
127.03919	3.7
132.10228	0.4
142.08640	47.2
143.09004	1.1
145.04961	0.4
159.02841	0.5
163.03928	0.5
166.08601	0.5
184.09706	0.5
231.05023	0.6
291.38229	0.3
304.13992	0.6
315.05112	0.3
364.96939	0.4
390.13849	1.4
390.18301	0.7
401.50732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37002	0.4
53.03939	0.9
55.05498	1.3
61.02928	0.5
67.05480	0.4
68.05025	0.7
69.03414	1.7
69.07059	0.5
70.06594	0.9
71.17195	1.0
72.08156	0.6
73.02969	0.4
73.31949	0.4
79.05494	6.0
80.05018	1.9
81.03416	1.2
81.05791	5.6
81.07058	4.5
84.04510	0.5
85.02902	2.0
87.00809	0.4
91.05460	0.6
93.07028	0.6
94.06554	1.8
95.04961	1.0
96.04494	0.6
96.08129	18.5
97.02895	1.0
97.06480	0.5
106.06577	2.7
107.04980	2.1
109.02842	0.7
110.06020	0.4
120.08096	0.6
123.04407	0.7
124.07588	100.0
125.06000	1.0
125.07934	2.1
125.73762	0.4
127.03924	1.1
130.06532	0.4
133.06491	0.9
137.05980	1.5
142.08624	1.0
146.06049	0.6
147.08038	0.6
149.05951	0.6
163.03951	0.8
175.07565	1.0
188.07196	0.5
195.30096	0.4
198.16750	0.4
210.11287	0.7
211.09599	0.4
228.12331	0.6
372.15250	0.5
390.18625	2.9
391.15689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2684
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03939	2.3
55.01867	2.8
55.05516	11.4
57.07064	1.0
65.03925	2.7
67.05509	18.7
69.03429	1.2
69.07072	12.2
71.04983	3.1
71.08549	1.3
71.58905	1.5
71.59288	1.1
79.05500	18.0
81.07063	22.0
83.08627	4.7
85.06560	1.5
91.05484	42.1
92.49147	1.1
93.07053	19.2
95.04967	4.0
95.08617	12.2
97.06506	1.8
97.10192	2.1
99.08051	1.1
103.05433	1.8
105.07035	40.5
107.04987	1.3
107.08601	9.2
109.06520	3.5
109.10152	5.4
115.05437	2.1
117.07040	13.7
119.08590	29.4
121.06520	1.5
121.10165	4.8
123.08073	3.0
129.07008	7.4
131.08566	26.5
133.06424	1.1
133.10141	14.0
135.08038	3.2
135.11711	2.5
137.09639	1.8
141.06911	2.7
142.07831	1.3
143.08575	6.8
145.10135	14.6
147.08096	2.0
147.11693	4.0
149.09648	2.1
149.13206	1.0
155.08577	4.3
157.10112	5.7
159.11703	4.8
161.09668	1.4
167.08600	1.7
169.10141	3.7
171.04903	1.0
171.11678	4.9
173.13280	3.7
181.10133	3.3
183.11696	3.0
185.13147	2.2
187.14888	1.4
195.05080	2.0
195.11720	1.7
197.13281	3.1
199.11227	1.3
201.12788	1.4
209.13103	1.7
211.14818	3.5
219.17482	1.2
223.14919	2.4
225.16287	1.3
227.14383	1.2
229.16075	1.4
231.09000	1.8
233.15395	4.4
245.15317	1.5
247.16922	5.0
259.16980	3.1
261.18579	4.5
275.20001	1.6
307.13370	1.1
321.76276	1.3
325.25171	2.5
335.23727	3.9
343.26343	5.0
353.24802	13.8
367.17834	3.6
371.25812	27.5
389.22070	5.0
389.26859	100.0
390.19589	1.3
390.27094	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
56.96570	3.5
57.62171	0.7
67.05486	1.4
69.07074	0.8
71.22750	0.8
71.58745	0.7
76.80995	0.8
79.05476	2.1
81.07043	2.9
91.05481	1.9
93.07031	1.3
95.08586	2.0
103.78484	0.7
105.07031	2.3
109.10170	1.3
117.06979	1.8
118.48019	0.7
119.08591	1.0
131.08516	1.3
133.10141	1.8
134.94580	0.7
145.10121	1.6
146.99683	1.0
169.10081	0.8
203.06123	0.8
330.14532	2.0
348.15704	5.1
366.16681	2.7
389.22949	100.0
390.23325	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	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
56.96559	1.6
60.69131	0.7
63.19789	0.6
67.05492	1.4
69.07043	0.9
71.59012	1.1
71.59389	1.2
79.05492	3.0
81.07045	1.6
83.05049	0.8
83.12705	0.7
85.02901	1.4
91.05489	2.7
93.07041	2.3
95.08614	1.8
97.02888	0.8
104.04977	1.7
105.07044	1.6
106.06590	4.6
107.04966	2.0
107.06906	1.3
107.08598	0.8
116.17458	0.7
117.07059	0.8
119.08591	1.2
131.08574	1.2
133.10080	1.2
134.06015	10.1
135.06378	2.9
145.10143	1.0
148.58766	0.7
153.34482	0.7
162.05510	38.1
163.05847	11.9
164.05998	0.9
194.08127	17.9
195.08447	7.1
269.12500	1.0
342.00293	0.7
367.17892	1.1
389.22955	100.0
390.23535	5.9
390.35556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
56.96570	3.5
57.62171	0.7
67.05486	1.4
69.07074	0.8
71.22750	0.8
71.58745	0.7
76.80995	0.8
79.05476	2.1
81.07043	2.9
91.05481	1.9
93.07031	1.3
95.08586	2.0
103.78484	0.7
105.07031	2.3
109.10170	1.3
117.06979	1.8
118.48019	0.7
119.08591	1.0
131.08516	1.3
133.10141	1.8
134.94580	0.7
145.10121	1.6
146.99683	1.0
169.10081	0.8
203.06123	0.8
330.14532	2.0
348.15704	5.1
366.16681	2.7
389.22949	100.0
390.23325	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	389.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43669	5.2
55.01854	10.6
55.05493	13.4
57.03436	13.9
57.85203	5.9
58.99577	22.6
67.05502	22.6
69.03418	25.9
69.07070	10.3
69.74754	10.8
69.75158	33.3
70.06577	9.8
72.08150	7.1
79.05500	36.6
80.70557	6.4
81.03408	14.0
81.07056	79.7
82.07390	12.6
83.04972	10.5
84.04504	35.7
84.08138	7.0
85.02900	38.3
85.04803	7.7
86.09693	21.3
86.99050	12.1
87.00809	11.3
87.04440	6.0
88.02132	7.1
91.05457	15.6
93.07040	25.2
94.06538	9.2
95.04963	24.8
95.08599	18.6
96.05302	8.3
96.08138	8.1
97.02876	18.2
97.06525	15.3
99.08083	15.5
105.06994	15.7
107.04956	15.2
107.08588	17.6
108.04401	5.8
109.02901	17.9
109.06581	7.5
111.08083	7.7
114.05539	17.9
116.01678	48.2
119.08580	11.3
121.10115	14.8
122.06024	11.6
123.04456	9.3
123.08083	7.5
124.07615	15.5
125.06010	7.8
127.03901	20.4
130.05017	15.2
131.08559	10.8
133.10126	87.9
135.08054	10.7
135.11699	9.8
137.05916	6.8
140.07065	9.0
142.03171	10.8
142.04977	23.2
143.05360	6.8
144.01141	18.4
162.02185	46.7
163.03914	9.2
163.11230	7.9
163.14870	14.8
163.38260	5.8
167.07196	7.7
168.06569	9.8
169.06775	8.4
173.13258	32.3
183.08286	7.0
188.05588	10.7
191.14349	25.4
209.15349	18.1
210.11295	28.0
211.11600	28.8
215.04985	7.0
227.12788	9.0
291.06458	26.0
293.06448	6.9
345.15088	40.0
355.46887	6.4
389.13760	100.0
389.17813	19.5
389.22354	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	389.1595
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03946	2.0
55.01872	32.3
55.05511	1.8
61.34850	1.3
65.03942	9.0
67.05499	5.7
69.03428	2.8
69.07080	2.3
70.01986	6.5
70.06627	1.1
71.04975	1.3
79.05493	5.6
81.03408	3.8
81.07056	3.5
82.04208	4.1
83.08643	1.5
85.02913	5.6
85.06518	1.8
87.84048	1.3
88.05247	1.3
91.05477	5.9
93.03413	3.1
93.07034	3.1
94.04170	1.4
95.04975	8.2
95.08610	2.6
97.02882	2.2
97.06518	4.7
98.20847	1.5
103.05458	16.4
105.07063	2.3
106.04145	1.2
107.04950	10.9
107.08581	2.6
108.02097	1.6
109.06509	2.3
110.03677	4.3
111.04465	3.9
115.05447	2.7
117.07026	3.6
119.08573	2.2
121.06521	4.6
122.03683	3.4
123.04430	15.3
125.06010	3.1
127.03887	1.8
128.06255	3.2
129.07007	9.0
131.04921	17.8
135.04388	1.8
137.05977	34.4
138.03152	2.6
138.63705	1.3
139.03893	5.7
142.02611	2.1
145.06514	5.5
147.04399	4.2
149.05977	12.5
151.03906	11.0
153.05469	3.2
155.07106	1.9
157.06496	8.5
159.04382	2.8
159.08072	1.7
160.05249	1.9
161.06027	4.1
163.03944	3.3
163.07549	8.5
164.04395	1.4
165.05598	2.2
167.07042	21.7
168.07405	1.6
171.06551	8.0
171.07822	1.4
173.06047	6.3
174.06769	4.5
175.07550	14.6
177.05472	37.9
177.09106	1.8
181.04956	100.0
181.12273	1.5
182.05402	1.5
183.06531	3.7
185.05975	2.0
187.07602	2.5
188.08392	1.7
189.09119	12.8
191.07043	4.6
193.08617	10.4
201.09065	2.1
205.08560	2.9
209.08095	52.3
217.06618	2.0
217.08678	5.7
218.07320	2.5
219.10117	8.9
221.07961	1.9
231.08061	2.0
234.06798	2.5
235.07526	2.5
235.09717	3.3
247.07510	2.0
248.08340	1.3
249.09123	4.8
250.09753	1.5
261.08984	2.9
263.07114	1.6
277.08530	9.0
293.11728	2.5
307.09808	1.4
309.11255	3.3
321.11328	2.0
324.48645	1.5
329.10403	1.8
339.12256	8.6
341.13766	3.7
353.13690	1.9
359.15076	2.0
371.14868	10.5
389.16037	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	389.1595
Annotation	Renealtin A
Peak:m/z	Relative Intensity
51.02367	0.7
53.03937	0.9
55.01868	5.5
55.05490	1.2
57.03434	1.8
65.03943	1.3
67.05518	3.6
68.99769	1.3
69.07051	1.0
71.18678	1.6
71.40022	0.7
77.03944	0.9
79.05495	2.2
81.03408	2.3
81.07046	3.0
85.02905	1.5
91.05473	4.3
93.03401	0.9
93.07033	2.2
95.04983	4.6
95.08601	2.9
97.02871	0.9
97.06549	3.2
99.08031	0.7
103.05473	2.4
105.03397	1.2
105.07051	2.3
107.04941	2.9
107.08601	1.6
109.02873	3.1
109.06522	0.6
109.10156	1.3
109.49325	0.8
109.83430	0.6
110.03705	0.7
111.04465	0.7
115.05459	2.1
116.21135	0.6
117.07002	1.0
119.04956	7.5
119.08562	1.1
121.02903	0.8
121.06509	1.6
121.10152	0.7
122.29993	0.6
123.04430	100.0
124.04738	1.3
125.05991	1.2
127.03912	2.7
129.06999	1.8
131.04901	3.9
131.08595	0.9
133.06519	1.8
135.04414	2.5
135.07942	0.7
137.02332	1.1
137.05952	6.8
139.03900	30.6
139.11143	0.8
140.04311	0.9
141.06992	0.9
141.09122	1.0
143.04892	3.4
145.06497	1.8
145.10075	1.0
147.04407	32.8
147.08136	0.8
148.04768	0.7
149.05957	3.2
149.09590	0.9
151.03903	43.9
153.05475	1.3
157.06459	1.2
159.04454	1.3
161.05986	12.1
163.03917	7.7
163.07550	1.8
165.05490	21.4
165.06906	1.3
165.09087	0.9
166.05823	0.9
167.07054	2.8
169.04999	5.8
173.06000	15.5
173.07405	0.6
175.07533	2.5
176.04695	2.6
177.05478	18.8
177.08997	1.3
179.07036	4.2
181.04956	10.8
181.08624	2.7
187.07558	1.4
189.05499	3.8
189.09068	1.6
191.07028	5.7
193.04971	1.5
193.08607	48.6
194.08957	1.7
203.06998	0.9
203.10822	1.1
205.05081	0.6
205.08727	3.7
207.06528	11.7
209.08095	4.2
215.07047	1.0
217.08554	1.4
219.06676	1.0
219.10155	18.0
223.09674	1.5
223.54172	0.7
231.10240	1.5
233.04361	0.9
237.11220	8.4
249.07526	1.5
249.11275	2.8
277.08551	1.2
285.07562	2.5
291.08542	4.8
303.08633	7.1
309.11136	0.9
311.09082	1.8
311.12677	0.9
324.50525	0.8
327.12244	4.9
329.10187	14.0
339.12509	0.9
345.13315	27.4
346.13654	2.3
353.13824	4.7
361.76550	0.7
371.14896	11.8
372.15182	0.9
389.15997	12.1
390.16129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
55.01872	4.6
55.05507	1.7
55.48256	0.8
57.03431	1.5
62.58434	0.9
64.12737	0.9
67.05501	3.0
68.07118	0.9
68.99786	2.0
69.29533	10.1
69.61243	0.7
72.23026	0.8
77.24143	0.8
79.05505	2.6
81.03407	2.0
81.07053	2.7
83.05003	1.1
85.02930	0.9
85.32978	0.7
88.74146	0.8
91.05482	2.8
93.07032	1.8
95.04447	0.8
95.04942	5.1
95.08591	2.5
96.37787	0.9
96.43349	0.9
97.06534	3.0
103.05508	1.5
105.07040	1.7
107.04950	1.7
107.08620	1.2
109.02891	3.5
115.05447	1.5
116.10486	0.9
117.07045	0.8
119.04958	8.9
121.06532	1.7
123.04430	100.0
124.04758	1.3
127.03920	2.7
133.06493	1.1
135.04445	3.1
137.02353	1.9
137.05991	3.4
139.03911	31.1
139.07558	1.1
143.04944	2.4
145.48903	0.9
147.04410	30.6
149.05984	3.2
151.03909	38.8
151.05124	1.9
152.04248	1.0
153.05545	1.1
161.05989	10.0
163.03888	7.9
163.07585	1.5
165.05495	19.6
165.09032	1.0
167.07056	3.2
169.05014	5.3
173.06004	16.1
175.07544	1.9
176.04750	2.7
177.05489	15.4
177.07033	1.0
179.07040	3.7
181.03592	1.1
181.04897	4.9
181.08600	3.7
187.07619	1.5
189.05489	3.5
191.07007	4.4
193.08612	48.5
203.10722	1.0
205.08617	3.4
207.06517	10.8
209.08093	1.7
219.10172	16.5
223.09708	2.7
231.10168	1.1
237.11241	8.9
249.11238	2.0
273.07568	1.3
285.07617	2.5
285.10736	0.8
291.08612	4.4
303.08630	7.7
311.09222	2.6
327.12253	4.6
329.10263	10.9
345.13345	22.7
351.49817	0.9
353.13831	4.1
355.85489	0.8
371.14865	12.1
389.16119	8.8
389.20901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	Renealtin A
Peak:m/z	Relative Intensity
55.01872	5.9
55.05510	2.3
65.03927	1.1
67.05492	4.0
69.07060	1.8
70.72715	3.2
77.03963	1.0
79.05473	2.7
81.03394	2.4
81.07074	2.3
83.01359	1.4
91.05466	3.2
93.03398	1.3
93.07041	2.8
95.04972	6.8
95.08615	2.8
97.06523	2.8
100.11231	1.3
103.05431	2.0
105.03347	1.1
105.07030	3.1
107.04974	1.8
107.08595	1.4
109.02873	4.3
109.06477	1.5
111.04411	1.2
115.05475	1.7
119.04946	8.1
121.06496	2.3
123.04424	100.0
124.04770	1.3
127.03905	2.1
129.06981	1.1
131.04953	1.7
133.06488	1.5
135.04436	2.4
137.02325	1.1
137.05992	4.8
139.03897	29.4
143.04926	3.2
145.06384	1.1
147.04410	33.4
149.05965	3.9
151.03902	44.3
151.07500	1.8
161.05968	10.2
163.03899	8.2
165.05484	23.0
165.09113	2.3
167.06999	2.9
169.04941	3.9
169.06380	0.8
173.05957	15.4
175.03941	1.1
175.07477	1.3
176.04735	3.6
177.05479	14.4
179.07062	4.5
181.04973	8.6
181.08577	3.3
189.05466	3.7
191.06996	6.7
192.89986	0.9
193.04895	1.9
193.08603	46.2
205.08603	3.0
207.06560	11.5
207.10135	2.2
209.08034	3.1
219.06671	1.3
219.10161	18.0
223.09639	1.5
231.10175	1.4
237.11174	8.8
249.07417	1.7
249.11214	3.3
285.07544	4.3
291.08606	4.4
291.55612	1.0
303.08658	8.1
311.09149	2.9
327.12262	3.8
329.10156	11.2
345.13333	25.7
353.13873	3.8
371.14911	13.7
389.15799	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	389.1591
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
53.03939	2.8
55.01873	40.3
55.98054	2.2
65.03922	13.4
67.05486	7.4
69.03409	5.7
70.27914	5.0
70.28312	5.8
71.12659	2.4
72.04275	2.6
78.25211	2.4
79.05517	13.4
81.03423	3.2
81.07064	3.0
83.04982	3.2
83.08643	2.5
85.02926	12.6
86.98421	2.3
91.05460	7.0
91.29376	3.0
93.07037	5.6
94.04192	2.7
95.04948	10.6
95.08585	3.8
97.06569	4.1
98.20786	2.7
103.05466	22.1
105.07014	5.7
107.04961	19.7
107.08578	4.7
109.02860	2.5
109.06482	3.3
110.03630	4.8
111.04455	2.9
115.05434	4.1
117.06995	5.9
119.08597	3.0
121.06479	6.3
121.10082	3.3
122.03648	6.2
123.04433	18.6
124.05195	4.5
125.05981	5.6
128.06230	4.7
129.06999	17.0
131.01167	2.7
131.04926	20.4
131.08560	5.9
133.06511	4.4
137.05966	50.8
137.06950	4.7
138.03215	3.3
140.04695	4.0
141.06921	5.8
142.36130	2.5
145.06471	10.3
147.04413	4.6
149.05966	10.1
151.03879	8.5
153.05431	5.2
157.06516	14.0
159.08067	5.3
160.05103	6.4
163.07538	11.8
165.05447	4.5
167.07031	38.8
169.06450	3.1
171.06525	10.5
173.05965	9.2
174.06761	14.5
175.07552	19.4
177.05449	35.7
181.04955	100.0
183.06523	9.9
187.07492	6.5
189.07071	4.2
189.09094	25.4
193.08598	3.7
195.06557	3.4
201.09108	6.3
203.08473	3.2
205.06624	3.8
205.08485	5.1
209.08070	53.8
209.09895	4.3
217.08621	10.2
218.07297	7.7
219.08113	5.9
219.10153	42.5
221.07941	4.7
231.08008	5.0
232.08849	2.7
233.05882	3.6
233.09637	4.9
234.06824	9.4
235.07545	6.1
235.09639	3.5
237.09085	2.8
237.78348	2.7
245.06032	2.8
246.06702	3.2
247.07513	6.0
249.09155	14.1
251.10881	3.5
261.09085	15.1
262.06024	2.8
262.09723	3.1
263.07077	4.2
264.08029	5.4
265.08514	5.0
277.08594	30.0
278.09341	8.0
279.10141	8.9
281.11819	3.2
291.10175	4.5
293.08252	3.2
293.11749	6.3
294.08997	4.8
307.09589	4.4
308.10333	3.2
309.11191	10.4
311.12772	5.2
314.96667	2.8
321.11343	9.5
325.10712	2.6
329.11032	3.1
339.12292	40.0
340.12628	3.2
341.13812	3.3
353.14087	4.0
359.15018	4.2
370.46075	2.5
371.14938	30.1
389.16074	40.1
389.21249	3.1
402.11990	2.7
407.29767	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	389.1593
Annotation	Renealtin A
Peak:m/z	Relative Intensity
53.03949	1.3
55.01858	4.2
55.05501	1.9
57.03430	1.0
67.05489	3.6
68.83598	0.9
69.07056	2.1
70.95920	2.6
77.03921	1.0
79.05476	3.3
81.03407	2.4
81.07053	2.8
83.04977	1.0
85.02921	1.3
91.05457	3.4
93.07059	1.4
95.04958	5.6
95.08598	3.8
97.02895	1.0
97.06528	3.4
103.05509	1.5
105.03387	1.9
105.06997	2.7
107.04952	2.3
109.02876	3.1
109.10062	1.3
111.04457	1.6
115.05454	1.3
117.07045	1.1
119.04947	7.7
119.08649	1.4
121.06461	1.6
121.10093	1.1
123.04423	100.0
124.04816	1.6
127.03906	3.7
128.06284	1.0
129.89526	0.9
131.04945	2.1
133.06477	1.6
135.04401	2.6
137.05937	6.4
139.03900	27.6
141.09174	1.4
143.04898	3.5
147.03226	1.6
147.04399	32.4
149.06009	2.4
149.09563	1.0
151.03899	46.9
151.07571	1.6
153.05441	1.9
161.05960	10.6
163.03877	6.0
163.07480	1.2
165.05467	20.8
165.09186	1.3
167.07043	5.5
169.04959	3.9
173.05974	14.1
175.03922	1.3
175.07350	1.5
176.04659	3.2
177.05481	14.1
177.09152	1.3
179.07042	4.0
181.04961	6.9
181.08597	2.9
189.05415	3.3
191.07024	6.7
191.10681	1.3
193.04913	1.7
193.08606	46.1
194.08954	1.5
203.07205	1.2
203.10709	0.9
205.08560	3.1
207.06517	11.6
207.09950	1.1
209.07988	1.2
215.06985	1.2
219.08141	1.8
219.10143	15.5
223.09578	2.0
231.10150	1.3
237.11224	8.1
249.11261	2.1
265.09067	1.0
273.07684	1.8
285.07587	3.8
288.09445	1.2
291.08621	3.1
303.08664	7.1
311.09073	2.2
327.12225	4.2
329.10181	15.4
345.13315	23.3
346.13116	1.2
353.13748	4.2
359.14175	1.1
371.14832	9.0
389.15817	7.6
389.21381	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	388.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69257	1.8
55.05494	1.8
56.96292	3.5
56.96567	55.2
67.05489	2.8
69.07051	2.2
71.59019	1.9
71.95266	5.9
74.97616	2.0
81.07049	2.3
89.65522	2.1
98.97622	3.3
105.07072	3.4
116.65092	2.0
116.98655	1.9
123.20715	2.1
128.98625	8.3
130.88188	2.1
141.02234	2.5
145.01727	2.1
146.99669	13.2
155.03789	4.1
157.01717	3.0
161.01172	2.3
165.00764	2.5
169.01733	2.4
171.03273	11.4
173.04881	2.7
175.02852	3.4
183.03307	2.9
185.04933	7.2
189.04359	27.9
192.69290	2.2
194.05141	2.1
197.04906	4.8
199.06377	4.4
201.04372	3.5
203.05966	14.1
205.05449	2.1
207.05402	3.3
213.07858	2.6
215.06015	2.3
217.07521	8.7
225.04448	2.1
227.05949	8.7
228.23244	3.1
237.08075	2.9
243.09160	5.6
245.06976	5.1
247.08597	2.3
249.04298	4.6
250.05403	2.0
251.09557	2.6
255.09129	8.5
260.07233	2.8
261.10239	3.2
267.05487	2.9
267.09003	2.4
269.10596	4.6
273.10114	6.8
278.08179	15.0
279.09079	3.3
283.08664	5.1
285.10208	3.1
287.11618	2.8
295.08429	2.5
296.09323	9.0
301.09787	5.7
329.14160	30.4
335.15424	2.9
347.15298	100.0
348.15662	3.9
365.16391	73.7
370.16937	19.0
383.17389	10.6
388.18015	13.4
388.32602	4.8
389.22772	11.7
408.40018	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
53.72368	0.7
55.01875	6.2
57.03440	7.8
61.02930	6.3
68.99789	3.1
69.03432	37.6
69.77677	3.5
70.03737	0.9
70.06591	0.8
71.04996	3.8
73.02921	6.9
77.57892	0.7
79.05483	1.1
81.03420	25.5
82.03729	0.8
83.01334	1.0
84.70854	0.7
85.02908	100.0
86.03235	1.7
87.00835	41.4
87.04475	1.0
91.03976	1.9
95.48088	0.7
97.02896	29.8
99.04457	13.6
105.01869	65.5
105.07038	12.1
108.04504	3.5
109.02885	32.2
115.03922	1.6
117.01830	2.9
121.06471	0.8
123.02998	0.9
126.05524	2.2
127.03920	74.2
129.01852	3.4
137.06000	1.2
138.06343	1.2
145.04959	32.7
147.02896	3.2
159.01564	1.0
159.02879	15.6
159.04103	1.2
165.05600	1.1
167.06985	1.3
171.02826	0.8
177.03925	1.2
189.03958	4.1
191.40994	0.7
213.03987	3.4
213.09164	1.4
230.06729	1.6
231.05009	19.0
231.07193	1.4
231.10063	1.0
248.07642	1.8
249.06065	5.5
263.43805	0.8
279.27841	0.9
303.57599	0.9
395.81427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
57.03442	1.3
67.05482	0.7
69.03441	2.9
70.06594	1.3
71.04989	1.2
71.59360	1.1
73.02918	0.8
76.91663	0.6
79.05498	4.5
81.03408	1.7
81.07036	0.6
84.08132	0.7
85.02909	9.6
87.00829	3.1
91.05497	1.4
93.07040	0.8
95.04951	1.8
97.02878	5.2
99.04446	1.7
103.05492	3.5
105.01871	9.2
105.07034	100.0
106.07359	2.1
109.02884	2.6
119.08590	0.7
122.09737	0.7
123.04441	1.4
125.02296	0.7
127.03941	6.8
135.04524	0.6
137.05991	1.8
145.04977	6.2
149.05997	0.7
159.02899	1.3
167.60052	0.6
181.04913	1.2
189.09094	1.0
213.09064	0.8
231.05014	2.4
249.05974	1.2
253.25229	0.7
278.12585	0.7
388.14908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	2.2
57.03416	0.7
66.38808	0.4
69.03435	3.6
70.22501	1.9
73.02916	0.6
80.05021	0.5
81.03503	2.1
81.04542	48.4
83.58705	0.4
85.02909	2.5
87.00804	0.5
94.86295	0.4
95.18858	0.4
97.02890	1.5
99.04453	0.8
109.02902	0.6
116.07086	1.0
122.07151	100.0
124.08692	0.8
127.03916	1.4
134.07152	0.6
140.08189	67.6
157.19937	0.4
164.08228	0.4
180.10269	0.8
182.09375	0.5
226.10715	1.1
302.13489	2.4
344.14499	29.2
345.14792	1.0
381.05292	0.5
388.13492	22.4
389.13870	0.9
392.36084	0.6
394.96820	0.4
397.82730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	2.1
55.22564	0.9
55.63676	1.0
56.05043	0.9
56.40164	0.8
69.03426	3.6
71.57611	0.9
80.14545	0.8
81.03419	2.1
81.04539	54.7
84.08123	0.9
84.15791	1.0
85.02887	3.8
97.02875	2.7
99.04491	1.2
109.02883	1.3
115.23041	0.9
122.07149	100.0
127.03911	1.8
140.08183	72.2
164.50385	1.0
175.60609	0.9
302.13541	3.5
344.14496	36.0
345.14853	1.2
353.88831	1.0
385.68246	1.1
388.13513	25.7
388.18341	1.3
389.13849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1055
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
70.26911	3.4
75.04453	1.1
79.05506	1.2
91.05486	4.5
93.07066	1.3
94.04167	1.4
95.04984	1.7
97.57787	0.9
104.04980	13.7
105.05780	23.0
106.06554	3.8
107.05014	0.9
107.07347	1.5
109.06534	2.4
116.04952	1.1
117.05775	1.6
118.06548	6.4
119.03684	11.7
120.04469	14.8
121.06509	4.1
123.06816	3.8
130.02925	1.2
132.04457	20.5
133.05234	38.1
134.02382	1.2
134.06010	11.7
135.06760	1.0
139.00571	0.9
146.05997	4.6
148.03951	3.3
149.04723	42.7
161.59930	0.9
162.05496	20.5
162.06764	1.3
162.54457	0.9
163.06288	100.0
164.07069	48.0
165.07391	1.1
174.05602	1.4
179.05699	1.3
194.08130	28.4
207.02850	1.0
218.08430	2.1
234.69894	1.2
253.05284	2.8
261.08994	1.4
296.05856	15.1
324.05380	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	387.3256
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
52.98789	3.8
53.03918	4.5
55.05494	9.3
59.05001	3.8
63.06145	4.2
67.05508	31.1
68.81385	4.1
69.07057	15.8
71.59950	7.0
79.05497	10.9
81.07056	70.3
91.05480	19.5
91.92412	3.8
93.07049	39.1
95.08607	41.9
97.06541	5.1
98.51315	3.8
105.07040	37.0
107.08588	100.0
109.10153	54.3
111.08069	11.0
119.08586	23.2
121.10140	66.4
123.11703	78.3
125.00399	3.9
125.09660	5.5
133.10124	21.0
135.11693	28.9
145.10112	11.1
147.11670	23.1
149.04530	4.0
149.13263	29.3
153.12695	4.4
159.11684	11.1
161.13274	14.9
163.14787	12.1
167.14304	26.9
173.13274	6.3
175.14861	8.1
177.16499	5.7
179.14404	6.1
183.03426	3.9
187.14841	4.4
189.16264	7.5
189.94556	4.5
191.18092	3.8
200.33406	3.9
201.16408	13.7
203.17963	12.4
215.18030	5.2
219.17413	9.3
369.31714	19.3
387.32645	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	387.2527
Annotation	Atranone E
Peak:m/z	Relative Intensity
50.86386	1.0
51.02363	1.8
51.74826	1.0
53.03704	1.2
53.03936	4.2
55.01871	9.2
55.05268	1.3
55.05513	22.4
57.03421	2.8
57.07059	3.7
65.03928	2.3
65.13456	1.1
67.05502	38.6
69.03439	6.3
69.07066	17.1
69.77010	6.7
70.44098	1.1
71.01359	1.3
71.04981	4.9
73.59465	1.2
79.05487	30.0
81.03413	24.0
81.07059	39.6
83.04979	9.5
83.08620	8.7
85.02894	4.4
85.06522	2.5
91.05482	39.9
93.07047	31.8
94.04176	1.1
95.01305	3.8
95.04972	17.2
95.08047	2.3
95.08608	25.4
97.02886	9.0
97.06512	4.1
97.10164	3.8
99.04444	2.2
103.05452	2.7
104.04968	3.4
105.03449	1.8
105.05901	6.0
105.07034	38.2
107.04961	10.3
107.08586	19.4
109.02878	3.1
109.06524	6.2
109.10156	10.1
111.04456	9.6
111.08036	1.6
115.03864	1.1
115.05474	6.7
116.06273	1.7
117.05716	1.4
117.07014	25.1
119.03672	4.1
119.04910	2.7
119.08583	26.1
120.04433	2.6
121.06500	8.0
121.10148	14.1
123.04432	12.6
123.08055	2.0
123.11668	3.1
125.09613	2.4
128.06224	10.3
129.07010	25.1
130.07841	2.1
131.04889	2.6
131.07587	1.9
131.08566	34.2
132.04420	4.5
133.05249	10.6
133.06453	9.9
133.10132	16.9
134.06003	3.4
135.04416	2.7
135.08034	5.3
135.11691	9.2
137.05963	3.8
137.09602	2.2
139.11189	1.8
141.06952	7.1
142.07802	7.7
143.08556	29.1
144.09363	1.4
145.06485	11.1
145.10123	23.2
147.04413	2.0
147.08093	6.1
147.11687	11.3
149.04712	10.1
149.05949	4.9
149.09566	3.0
149.13239	3.5
151.07501	2.4
152.06186	1.4
153.06932	3.6
154.07784	3.8
155.08553	13.6
156.09323	2.4
157.06487	9.1
157.10124	20.8
158.07184	1.7
159.08037	10.5
159.11690	20.0
161.05986	5.8
161.09601	4.3
161.13260	7.7
162.05487	5.6
163.06291	25.4
163.07500	2.1
163.11188	3.0
163.14806	1.6
164.07069	11.8
165.06950	3.9
165.09100	1.7
166.07680	1.4
167.08585	8.0
168.09357	1.9
169.06532	2.1
169.10136	12.8
170.10797	1.3
171.08076	10.2
171.11699	18.6
172.08730	1.4
173.05994	1.7
173.09619	8.0
173.13245	12.4
175.07556	5.3
175.11171	4.9
175.14839	2.2
177.09142	1.8
177.12657	1.3
179.08556	3.2
180.09348	1.8
181.10109	8.6
182.10849	1.7
183.08083	6.5
183.11688	10.1
184.08783	3.2
185.09650	7.5
185.13260	12.5
186.13965	1.5
187.07489	3.6
187.11176	6.4
187.14815	4.6
189.09120	4.0
189.12770	3.4
191.10664	1.9
193.10146	2.9
194.08171	8.9
195.11705	6.1
197.09607	5.2
197.13246	8.9
199.11139	7.9
199.14774	8.6
201.09070	3.3
201.12773	6.3
201.16370	3.2
203.10655	4.4
203.14484	2.2
209.13310	5.6
211.11232	5.1
211.14821	4.8
213.12740	6.7
213.16429	3.4
215.10643	1.3
215.14317	3.2
217.12280	3.8
221.13231	2.2
223.14832	3.4
225.12790	5.8
225.16339	2.8
227.14256	4.6
227.18036	1.4
229.15851	2.2
231.13826	2.7
239.14388	3.5
241.15929	2.3
243.13835	2.9
245.15479	1.3
257.15387	1.5
259.20508	2.0
267.17410	1.2
269.19012	1.3
271.17044	1.5
271.20734	2.0
275.20197	2.0
277.21661	4.0
281.19177	1.3
283.20493	2.7
285.22287	3.3
287.20135	1.9
289.21564	4.8
291.15933	1.3
295.23996	1.3
296.05804	4.2
297.22168	3.8
299.20081	2.8
299.23563	2.4
301.21524	3.0
303.23093	1.7
305.22662	1.4
309.22162	2.5
313.21664	4.6
315.23248	3.7
323.23666	4.8
325.21542	1.7
327.23047	9.7
333.22043	1.3
339.23013	1.8
341.24689	13.9
343.22711	3.9
345.24252	2.4
351.23181	19.4
357.24442	1.6
359.25882	4.4
369.24249	80.3
370.24573	4.2
387.25296	100.0
388.25620	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	387.2014
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
51.50798	1.5
53.03945	3.2
55.01860	3.1
55.05507	2.6
57.03425	4.8
57.87617	1.9
67.05505	8.5
69.03439	21.9
69.07058	2.7
70.06593	37.8
70.85947	5.1
71.04998	4.8
71.06915	7.0
73.02901	2.2
79.05505	4.5
81.03424	10.9
81.07056	22.7
83.04967	3.4
83.08625	1.9
84.04461	1.8
84.08156	2.2
85.02908	100.0
86.09713	3.3
91.05485	6.2
93.07046	7.0
95.04927	2.6
95.08617	11.3
97.02883	13.0
97.06522	3.8
99.04460	6.6
105.07014	11.3
107.04939	3.4
107.08607	6.0
109.02876	4.8
109.06501	6.0
109.10151	26.5
110.07118	2.3
111.04427	6.8
117.07048	2.2
119.08605	11.9
121.06547	4.0
121.10149	10.2
123.04428	5.5
123.08088	4.8
123.11711	81.2
125.05985	21.5
127.03905	18.3
129.07018	3.2
131.08614	3.8
133.06525	2.5
137.09608	2.2
139.03909	25.4
139.07513	3.5
143.08537	2.2
145.04935	3.5
145.10091	7.1
147.04405	2.7
147.08026	5.3
147.11674	12.7
148.07588	2.4
149.05920	1.8
149.09595	12.3
151.07568	11.4
156.09308	3.3
157.56670	2.1
159.11687	1.9
161.09576	5.2
163.11208	3.8
165.12798	2.8
167.07079	4.4
167.10735	2.1
171.11800	3.5
177.05481	16.5
178.05855	9.1
181.04883	2.8
189.12704	14.1
207.13805	61.6
208.14136	3.1
225.11232	8.6
225.14848	31.1
251.09189	1.9
257.56122	1.9
330.10416	4.1
333.16980	15.1
343.13626	5.3
351.18048	24.2
353.69281	2.1
369.18997	7.0
387.12378	4.1
387.16187	21.6
387.20248	14.2
388.23474	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03938	3.2
55.01866	3.2
55.05507	2.0
56.96556	2.0
57.03429	5.0
57.07063	2.5
57.08946	1.3
57.13303	1.6
59.63776	1.7
59.95871	1.5
61.02923	3.5
65.03925	2.3
67.05507	9.4
69.03430	24.8
69.07056	6.0
70.06593	43.2
70.39250	3.8
71.01356	1.8
71.04995	5.8
71.06915	10.4
73.02932	1.9
77.53049	1.4
79.05479	7.2
81.03421	10.5
81.07067	20.2
83.04987	2.2
84.08112	1.9
85.02905	100.0
85.06550	1.9
86.09718	3.4
87.04440	3.2
91.05493	8.0
93.07056	5.5
95.04944	3.3
95.08604	12.3
97.02882	14.6
97.06515	2.6
99.04456	9.6
102.50350	1.9
103.05437	2.1
105.07022	9.9
107.04956	4.7
107.08595	6.2
109.02875	6.3
109.06521	9.8
109.10160	25.1
110.07153	3.2
111.04443	5.4
117.07044	2.3
119.04895	2.1
119.08576	11.8
121.06500	4.7
121.10155	9.4
123.04420	5.0
123.08063	6.0
123.11707	79.2
124.04781	2.3
125.05980	21.9
127.03924	14.7
131.04889	2.1
131.08575	5.9
133.06479	2.7
133.10121	4.1
135.04405	2.4
135.11789	2.1
137.06032	3.9
137.09595	2.1
139.03920	28.1
139.07552	3.8
145.04968	3.3
145.10133	6.2
147.04398	3.2
147.08107	4.2
147.11697	17.1
148.04729	1.8
149.05988	3.6
149.09642	17.3
151.03891	4.6
151.07524	8.5
156.09366	3.3
161.09508	3.0
161.13255	3.5
163.03874	2.8
163.11172	2.3
165.05598	1.8
165.09100	3.8
165.12752	4.3
167.07060	4.5
167.10661	4.1
177.05458	17.3
178.05809	11.3
181.04967	4.0
189.12744	14.6
207.13783	64.8
225.11330	7.5
225.14850	35.9
225.16899	2.7
235.11760	2.0
277.10809	1.8
330.10498	4.8
333.16953	14.0
343.13721	5.7
351.18024	20.8
369.13202	2.3
369.19086	6.9
387.12402	4.1
387.16202	23.0
387.20236	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	387.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65801	1.6
56.96555	2.4
57.39293	1.6
61.88106	1.7
65.03928	3.6
66.17025	1.9
66.29951	1.6
69.03419	4.7
70.06580	6.5
72.08154	2.2
74.02434	14.0
79.05502	3.5
80.09517	1.7
81.03397	2.8
81.04536	11.9
81.07056	6.6
82.04185	1.8
83.04977	6.1
84.04512	2.2
85.02900	12.8
88.03982	3.5
92.04995	2.3
93.07069	1.9
93.40182	1.7
95.01307	2.9
95.04969	3.3
95.08495	1.8
96.04496	1.9
97.02881	6.5
98.06050	3.0
99.04415	3.0
109.06496	2.0
110.06044	100.0
111.04449	5.8
116.03469	4.3
119.04990	2.5
121.02894	2.4
121.06541	2.3
123.04434	5.6
125.07121	3.3
127.04032	2.8
127.05066	6.4
134.06018	4.7
135.04433	3.5
137.10742	6.3
139.03958	5.6
143.08096	9.8
145.02850	2.1
146.03471	1.8
147.04498	2.3
149.02362	3.2
152.07024	2.1
158.80240	2.0
161.07114	6.3
163.03925	5.6
167.03416	3.6
167.06877	2.0
175.03738	2.3
176.98596	2.0
178.05814	1.9
179.08264	8.8
179.11821	11.7
193.04506	1.7
195.02942	3.9
195.14970	6.9
199.09668	2.7
207.07715	14.8
213.15901	4.0
223.04164	4.5
225.08748	42.0
225.12300	31.6
234.99002	2.4
267.09857	2.6
305.15314	2.2
369.16388	9.8
387.00125	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	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.6
58.06582	1.6
62.77591	1.3
67.05486	1.7
69.03446	6.6
69.77846	8.9
71.59169	1.3
81.03411	3.4
85.02912	11.8
86.09656	1.3
89.03951	1.3
91.05487	5.1
93.03404	1.4
94.63634	1.2
97.02901	5.4
103.05489	5.7
105.07035	12.6
107.04918	2.3
111.04392	1.6
118.06519	6.5
120.08089	11.3
121.02882	1.7
123.04440	2.2
127.03932	3.9
128.06244	2.2
131.04912	2.9
132.08112	1.9
135.04430	1.5
139.03912	2.6
143.08530	2.1
145.02858	1.6
145.24236	1.6
160.11232	58.5
163.03931	5.8
177.05440	1.7
178.12276	52.9
206.11745	10.4
224.12819	100.0
225.13147	3.2
236.32362	1.5
248.13116	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01860	1.8
55.05505	1.0
56.03180	0.4
57.03415	0.7
62.85191	0.4
65.03941	0.9
67.05484	1.3
67.31644	0.4
67.55117	0.4
68.99796	0.9
69.03423	3.5
69.07074	0.9
70.06597	6.6
71.04984	0.9
71.06921	1.0
71.58295	0.6
72.08152	1.2
75.24048	0.4
79.05475	1.7
81.03400	1.6
81.07056	2.0
83.04967	1.3
84.04497	0.7
84.08123	0.7
84.85514	0.5
85.02893	4.1
85.06534	0.5
86.09691	1.5
87.00823	0.7
91.05496	2.4
93.03379	0.8
93.07047	1.4
95.04950	1.1
95.08615	0.9
97.02882	2.0
99.04457	0.7
103.05477	0.8
105.07007	1.8
107.04956	0.7
107.08552	0.8
109.02861	1.5
109.06523	1.1
109.10162	1.2
110.06020	0.4
110.07155	0.6
111.04438	4.6
115.05451	0.6
117.06997	0.7
119.04937	0.7
119.08566	1.2
121.06535	1.0
122.05994	0.5
123.04421	2.8
123.08031	0.8
123.11722	0.8
127.03918	1.6
131.08481	0.6
132.08183	0.5
133.06467	0.7
133.10161	0.9
135.04440	1.4
137.06033	1.0
137.09604	1.1
139.03900	100.0
140.04262	2.3
145.04976	1.0
145.06470	0.9
145.10118	0.6
146.99680	0.5
147.04424	1.2
147.11678	0.6
149.05983	0.6
151.03885	1.5
151.07516	0.8
153.05489	0.8
161.05986	0.8
161.09592	1.4
163.03934	1.8
165.05534	0.7
165.09126	1.1
167.07036	0.9
177.05470	4.1
178.05844	1.6
179.10594	0.6
181.04970	0.9
187.07457	0.7
189.09088	0.8
189.12749	0.5
203.07025	1.0
204.07330	1.0
205.05009	1.2
207.10191	0.8
207.13844	1.9
212.10716	1.5
217.01376	0.9
225.03969	0.6
225.11023	3.2
225.14818	1.0
236.09172	1.2
253.43634	0.5
324.38449	0.4
330.10632	0.9
343.13712	3.3
352.21164	1.2
369.23990	2.1
387.12476	3.4
387.16641	5.3
387.20129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01892	0.6
55.05511	21.0
56.05848	0.4
57.04117	0.4
57.05804	1.7
58.06594	6.6
67.05531	0.6
69.27013	4.3
69.27427	1.1
72.08153	100.0
73.04043	0.8
73.06548	4.5
73.08485	0.9
79.05484	2.6
81.07040	0.5
85.02916	0.5
86.06100	0.5
91.05473	1.3
95.04965	1.9
97.02882	0.7
98.21513	1.2
106.06551	97.9
107.04945	1.0
107.06888	1.9
115.08651	1.1
116.07086	29.5
123.04405	1.9
135.04407	1.0
137.05962	3.5
139.03888	4.6
145.09996	0.6
147.04341	0.5
151.03871	0.8
157.13405	0.8
158.07233	0.5
161.05927	0.7
163.03838	1.4
167.07037	1.2
173.09520	0.5
181.04935	0.6
182.39413	0.5
189.05371	0.7
189.32909	0.5
192.07649	1.8
207.13834	0.6
234.12329	15.9
235.12633	1.0
306.18173	4.3
315.12274	0.6
326.66077	0.6
386.17075	0.9
386.21426	1.2
387.14392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1594
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
51.05761	0.5
54.03471	0.7
55.01868	0.7
56.61390	0.4
63.64796	0.5
64.16747	0.4
67.05495	1.0
68.99796	1.4
69.03418	1.1
69.07049	0.5
70.06590	100.0
71.06924	1.8
71.57940	0.5
72.08171	0.6
79.05502	1.1
81.03444	0.7
81.07060	1.8
83.06105	0.7
84.04506	0.6
85.02886	2.3
86.09767	0.7
88.04029	0.5
91.03888	0.4
91.05473	2.9
93.07038	1.1
95.04987	0.9
95.06120	1.1
95.08611	1.0
96.08128	1.2
97.02888	1.0
103.05473	1.1
105.07024	1.0
107.04973	1.4
107.08595	0.5
109.02892	0.8
109.06510	0.6
109.10166	0.8
110.07182	4.5
112.61386	0.6
115.89600	0.4
119.04929	2.5
120.08120	0.8
121.06501	2.4
121.10162	0.5
123.04428	11.9
123.11716	0.9
135.04420	2.6
137.05965	1.6
139.03926	3.1
143.07112	0.5
147.04402	7.4
149.05957	4.2
151.07567	0.8
159.04442	0.5
161.05994	0.7
163.03957	0.7
165.05463	4.1
167.07043	1.0
175.07565	0.8
177.05458	52.2
178.05806	2.0
179.07045	0.7
185.74826	0.5
189.05426	0.5
203.07047	0.6
207.06638	1.0
207.13849	1.1
219.06444	0.5
234.11185	4.2
256.38992	0.5
322.21252	1.0
329.10156	11.6
368.21637	1.5
386.15952	33.1
386.22906	2.0
387.12012	0.6
387.16580	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	386.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.6
56.06073	0.6
57.03415	1.3
61.02909	1.9
65.83058	0.5
69.03434	5.8
71.04996	0.7
71.37438	0.7
71.37746	0.7
72.54250	0.5
80.58617	0.5
81.03410	1.9
85.02424	0.8
85.02898	9.0
86.06075	0.5
87.04427	1.1
91.03946	0.6
97.02906	3.4
99.04462	1.3
103.05451	0.5
105.07039	0.8
107.04884	0.6
109.02849	1.7
111.04463	0.6
117.03384	0.9
118.06549	0.6
120.08103	1.4
127.03905	2.5
138.05515	0.7
139.03876	0.5
145.02829	1.6
145.05017	0.7
145.65190	0.6
146.03468	3.9
147.04330	0.7
160.11217	4.4
163.03894	2.2
164.04529	1.2
166.05034	0.8
174.02975	2.1
177.05438	1.0
178.12251	4.3
182.56519	0.6
191.03268	0.7
192.04033	88.1
193.04312	1.0
194.04314	0.6
195.02975	0.7
224.06656	100.0
224.12704	7.7
225.07065	1.4
321.25247	0.6
386.11710	2.4
406.32748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
56.96551	4.1
60.31874	1.9
64.68618	2.4
70.06589	2.7
70.13799	10.9
73.85251	2.2
79.05491	7.2
81.03407	3.0
83.01360	2.2
85.01991	2.2
85.02912	6.6
89.03917	3.7
91.05492	6.4
95.04974	8.2
97.02915	2.9
98.97604	3.1
99.23403	2.6
103.05462	8.3
105.07026	61.1
107.04962	3.3
115.05441	15.0
117.07005	5.5
118.04184	5.2
123.04425	9.1
131.04942	5.4
133.06485	61.1
134.99698	2.5
135.04433	5.6
137.05971	3.1
139.03865	2.8
143.06039	3.0
145.02844	2.5
145.06479	8.7
147.04457	5.2
149.02367	2.7
149.05833	2.7
149.69496	2.2
151.03911	3.5
155.07034	3.7
161.05980	100.0
162.07773	5.5
163.03891	11.0
163.08034	3.4
167.07013	24.5
175.07628	3.8
177.05470	4.6
179.03432	3.2
179.06981	2.6
183.06586	4.1
189.05872	2.8
190.06317	2.6
191.07083	3.4
192.05392	2.4
193.05269	3.3
193.08600	51.0
201.05463	3.9
203.07144	2.7
205.08524	5.1
206.76242	2.2
207.06575	9.6
219.06581	5.8
221.08171	3.2
229.00227	7.0
229.04970	3.1
231.06551	6.9
233.04405	5.2
233.08032	5.3
235.09789	3.0
245.08287	2.2
251.09119	17.3
252.07219	7.2
253.07625	15.3
261.07587	10.6
263.09143	2.9
275.09192	3.5
307.08121	3.2
385.11639	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	385.031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62767	1.1
56.96333	1.4
56.96564	15.5
69.66118	4.3
69.66545	5.4
71.95260	3.4
79.50780	1.2
93.84427	1.3
98.21481	2.0
98.97581	76.0
99.97888	3.4
100.97182	1.4
110.18541	1.3
116.98618	100.0
117.98899	2.0
118.98153	1.9
119.01894	5.3
124.29257	1.3
134.99657	89.2
136.00047	2.6
136.99181	1.6
137.00095	2.0
137.02959	2.4
140.00203	2.7
153.00714	19.0
153.25801	1.3
158.01250	4.0
177.00945	13.5
178.01054	2.3
179.00755	2.0
183.88435	1.2
194.98711	1.5
216.98863	1.5
217.04251	1.7
218.98985	1.3
218.99940	2.0
219.01994	19.9
220.02115	3.6
221.01863	2.1
222.02049	1.7
228.40480	1.4
234.99893	4.1
236.00055	3.0
236.99767	6.7
237.99597	1.3
240.98643	3.5
241.98915	1.8
242.98598	3.0
243.02023	3.6
258.99780	30.9
259.99991	9.9
260.99646	38.6
261.03046	66.1
262.00101	2.9
262.03156	4.2
263.02838	2.0
274.97693	1.5
277.00848	72.4
278.00995	19.2
279.00650	83.8
280.00980	4.2
283.00000	4.4
284.00412	2.7
284.04730	1.3
284.99750	14.7
285.99899	3.6
295.01892	2.1
300.02341	2.8
301.00970	9.8
302.01251	8.8
303.00848	43.1
304.00937	7.5
321.02066	2.4
326.02585	1.6
343.02130	1.5
361.01389	7.1
379.02368	4.7
380.21475	1.4
385.03375	6.7
403.00296	4.9
403.04257	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	384.115
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01868	1.3
56.96550	1.4
57.03442	2.3
57.56312	0.4
58.86636	0.5
61.02893	0.6
69.03429	1.3
71.01342	1.0
71.15913	1.2
73.02927	1.0
83.04978	0.5
84.96008	0.4
85.02882	1.8
89.03895	0.8
91.19498	0.5
97.02937	0.5
98.97589	0.5
115.03909	0.7
116.98588	0.8
119.03561	0.6
121.05099	1.9
127.03944	0.5
135.04411	1.2
135.06653	1.9
136.06187	17.1
137.04602	0.7
146.99641	0.5
147.04364	1.1
148.06183	7.0
160.06131	1.0
162.07753	35.1
163.03929	4.3
164.04353	0.6
169.74030	0.5
185.00764	0.5
188.05684	12.5
189.00713	0.6
192.05161	17.1
193.05237	0.5
204.08812	0.6
206.06761	6.6
216.05132	0.6
229.00294	0.8
234.06235	11.7
237.02879	0.9
247.15495	0.5
252.07285	100.0
253.07510	2.6
272.01901	0.6
307.01129	0.6
367.12769	1.2
384.11502	17.1
385.11871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03936	5.8
55.05503	25.4
57.07058	16.8
58.78916	3.6
59.04993	5.5
67.05505	49.6
69.03427	17.1
69.07054	14.2
69.93769	20.2
71.04977	14.3
79.05492	44.1
81.03410	5.6
81.07063	42.6
83.04936	11.1
83.08626	8.4
85.06515	4.9
91.05471	52.4
93.07039	100.0
95.04956	32.1
95.08138	4.6
95.08611	49.0
97.06518	15.1
98.20837	7.6
103.05450	5.0
105.06300	4.6
105.07030	95.9
107.08591	53.0
109.06514	35.7
109.10165	29.7
109.10791	5.7
111.08083	13.1
116.06244	5.7
117.06991	10.6
119.08577	77.1
120.09403	6.2
121.06502	15.0
121.10143	55.0
123.08057	47.1
125.05943	6.6
128.06210	6.4
129.06984	14.5
130.07808	6.7
131.08551	36.5
133.06438	10.5
133.10136	35.0
135.08040	28.1
135.11691	8.9
137.05937	5.2
137.09584	16.7
139.07513	4.4
141.06990	9.2
142.07816	29.3
143.08568	28.9
144.09311	5.8
145.06476	4.9
145.10117	51.3
147.08052	28.4
147.11667	17.5
148.27592	4.5
149.09621	29.8
151.07545	49.0
153.09128	4.9
155.08572	10.3
156.09349	11.1
157.10159	47.6
159.08060	5.9
159.11707	21.8
161.09634	23.5
161.13258	8.2
163.11218	10.0
165.09135	41.6
170.10915	8.2
171.11647	12.8
173.09619	14.0
173.11821	6.8
173.13245	14.7
175.11186	24.5
175.14830	12.0
177.09087	19.4
178.09875	5.8
181.10100	5.6
181.12196	5.5
183.11705	7.2
185.13182	21.3
187.11186	9.1
189.12744	10.7
197.13306	7.2
201.12698	13.0
203.14307	34.4
207.13788	16.2
209.13216	5.9
213.12756	7.1
215.14339	11.5
219.13815	6.9
221.13446	4.4
221.15352	83.0
225.16374	4.5
227.14084	6.2
231.13733	7.0
233.15465	9.3
234.16173	12.8
237.14604	5.6
243.13773	8.0
277.17798	4.4
281.18906	4.8
287.20032	11.6
299.19836	6.0
303.19373	7.0
344.10327	4.7
347.24033	5.4
365.24741	13.3
383.25681	69.7
384.25574	7.3
401.02048	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
54.30872	3.0
55.01863	12.0
55.05510	28.6
57.03419	6.3
57.07069	3.0
59.04982	3.8
61.52631	3.1
65.03926	5.1
67.05507	100.0
68.36300	3.3
69.03424	4.6
69.07072	20.2
71.05006	6.4
71.08626	3.1
71.59413	5.4
75.09195	3.5
79.05133	3.8
79.05507	42.0
81.03426	7.4
81.07060	73.3
83.04980	9.5
83.08605	10.1
85.06548	8.9
85.51230	3.1
91.05481	44.3
93.07042	44.4
95.04990	15.3
95.08601	32.1
97.06511	8.8
103.05383	3.7
105.07033	41.3
107.04941	14.3
107.08607	35.4
109.02916	3.2
109.06517	11.1
109.10155	75.8
111.04441	4.5
111.08078	8.5
117.07020	9.1
119.08593	26.7
121.06493	10.0
121.10164	17.1
123.04422	3.9
123.08082	7.3
123.11727	6.2
129.07008	9.0
131.08533	23.0
133.06496	17.6
133.10129	47.0
135.08035	13.3
135.11720	10.4
136.89771	3.6
137.09607	5.9
142.07693	3.0
143.08589	9.5
145.10101	9.3
147.08055	8.9
147.11679	8.7
149.09602	12.6
151.11183	21.3
157.10109	4.8
159.08063	7.0
159.11667	7.9
161.09625	12.3
161.13232	5.9
163.11139	4.3
169.10126	3.6
171.11678	7.4
173.11833	14.8
173.13074	4.0
175.11186	7.2
177.09099	7.8
179.10710	3.6
189.09331	3.3
189.12782	5.4
189.16484	3.4
213.16234	4.0
215.12721	4.0
221.15298	4.6
245.19006	11.1
253.14403	12.2
255.17526	5.9
263.19986	8.9
269.13736	5.6
271.15341	10.5
273.18497	36.1
291.19498	50.9
309.20679	5.2
336.32126	3.4
365.23267	40.2
366.45697	3.6
383.24963	16.9
408.69867	3.6
408.76077	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20716	4.9
55.01874	11.0
55.05515	34.1
57.03432	14.6
57.07059	5.4
59.04998	6.2
65.03924	5.7
65.68583	4.5
67.05505	100.0
69.03422	11.9
69.07071	23.5
69.44608	25.6
69.45042	16.4
71.05003	7.2
79.05496	47.4
81.03409	9.7
81.07059	84.5
83.04987	8.7
83.08621	23.0
85.06544	8.1
91.05480	51.7
93.07045	48.3
95.04969	23.1
95.08602	30.5
97.06539	9.7
97.10185	15.0
97.56435	5.1
105.07034	34.5
107.04977	12.9
107.08593	34.2
109.06496	5.6
109.10147	58.0
111.08063	10.1
117.07022	12.3
119.08571	30.4
121.06482	10.8
121.10158	18.4
123.04412	5.6
123.08080	9.6
123.11727	5.3
125.09589	16.1
129.06979	9.8
131.08582	15.5
133.06479	11.6
133.10129	44.7
135.08051	13.3
135.11690	9.5
137.09573	5.9
143.08537	10.1
145.10120	10.8
147.08078	9.6
147.11662	16.7
148.04793	5.6
149.09586	11.5
151.11169	12.4
157.10146	15.4
161.09595	15.9
169.12192	5.8
173.11766	11.7
175.11224	6.9
177.09042	6.6
187.14992	4.8
189.11169	8.7
189.12752	5.2
193.12199	7.3
197.37740	6.2
233.15228	4.9
245.19019	9.0
259.08694	8.0
269.14023	8.5
273.18433	37.3
291.19562	80.7
365.23334	48.5
383.24591	16.8
386.45926	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01864	5.6
55.05505	4.7
57.03433	2.5
57.07064	0.9
65.03952	0.5
67.05500	10.6
69.03428	0.6
69.07066	5.4
70.14071	0.8
70.14496	1.5
71.04980	0.5
71.08616	0.5
79.05489	5.9
81.07053	29.9
83.04976	2.4
83.08614	2.3
85.06522	0.5
89.72582	0.4
91.05460	3.8
93.07037	5.9
95.04939	0.9
95.08605	6.4
97.06534	2.0
105.07035	4.2
107.04987	0.4
107.08585	5.2
109.06508	10.9
109.10152	7.0
111.04441	14.9
111.08062	1.4
117.06990	0.8
119.08590	5.1
121.10133	4.5
123.08047	1.8
123.11701	1.7
125.05991	7.0
125.09649	0.5
126.68962	0.4
128.06299	0.5
131.08553	2.2
132.40659	0.4
133.10106	4.8
135.08051	2.8
135.11716	3.8
137.05971	100.0
137.09599	1.4
137.13211	2.2
138.06316	1.2
139.07559	1.1
139.11176	0.5
143.08582	1.4
145.10161	1.9
146.07243	0.6
147.08054	1.4
147.11685	6.1
149.09641	4.4
149.13264	1.2
151.07587	2.8
151.11169	1.3
156.09334	0.6
157.10110	2.3
159.11703	1.1
161.09613	6.7
161.13272	2.6
163.07614	0.4
163.11165	3.1
163.14874	1.0
165.09122	1.7
165.12730	0.6
167.10693	1.4
171.11676	0.9
173.11717	1.7
175.11177	5.5
175.14803	1.7
177.12735	0.9
179.10716	2.6
181.12221	0.9
185.13208	0.9
189.12730	1.8
193.12231	1.9
203.14595	0.4
203.17957	7.0
205.19460	0.9
213.16388	2.5
221.18983	2.2
223.14780	0.6
231.17433	10.8
232.17725	0.5
241.15916	1.0
249.18488	14.3
259.16974	0.6
277.17975	54.3
278.18378	1.7
295.19019	19.3
335.11581	0.5
351.21552	3.6
383.24283	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.5
55.01858	10.6
55.05506	32.2
56.96544	16.3
57.03431	11.8
57.07053	6.2
59.04972	7.4
61.81153	4.3
67.05171	8.5
67.05499	100.0
69.07063	24.8
69.41564	29.9
69.41988	12.8
79.05494	43.4
81.03416	8.2
81.07056	81.0
83.04975	12.6
83.08614	7.8
85.06526	8.8
85.23216	4.4
91.05485	58.4
93.07047	47.2
95.04971	22.2
95.08611	37.5
97.06542	7.7
98.20797	11.2
105.07014	52.8
107.04953	24.1
107.08572	48.8
109.06509	17.9
109.10154	54.3
111.08075	8.4
117.07016	10.7
119.01974	4.4
119.08557	21.5
121.06532	11.4
121.10141	15.3
123.04407	7.1
123.08035	7.5
123.11697	7.6
129.06976	8.7
131.08560	18.7
133.06497	12.1
133.10130	48.9
135.04385	4.6
135.08069	9.6
135.11629	7.1
137.09590	5.8
145.10081	7.1
147.04407	5.4
147.08029	5.2
147.11684	5.1
149.09602	14.9
151.11209	27.6
157.10164	7.1
159.08089	5.3
159.11670	6.7
161.09601	9.9
163.03886	6.2
171.11665	10.1
173.11723	9.5
175.11220	9.4
177.09138	5.4
179.10678	4.7
183.04999	6.1
193.12257	8.1
211.13182	6.7
227.10735	5.8
229.07498	8.7
233.10225	11.7
245.19009	7.9
247.08546	7.2
251.11264	19.1
253.14267	11.3
273.18530	22.3
283.12250	10.2
291.19553	47.8
297.99915	4.9
301.13156	6.6
309.20660	6.8
365.23416	28.3
367.02966	5.2
383.15106	9.8
383.20999	28.3
383.24957	12.0
401.22009	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20716	4.9
55.01874	11.0
55.05515	34.1
57.03432	14.6
57.07059	5.4
59.04998	6.2
65.03924	5.7
65.68583	4.5
67.05505	100.0
69.03422	11.9
69.07071	23.5
69.44608	25.6
69.45042	16.4
71.05003	7.2
79.05496	47.4
81.03409	9.7
81.07059	84.5
83.04987	8.7
83.08621	23.0
85.06544	8.1
91.05480	51.7
93.07045	48.3
95.04969	23.1
95.08602	30.5
97.06539	9.7
97.10185	15.0
97.56435	5.1
105.07034	34.5
107.04977	12.9
107.08593	34.2
109.06496	5.6
109.10147	58.0
111.08063	10.1
117.07022	12.3
119.08571	30.4
121.06482	10.8
121.10158	18.4
123.04412	5.6
123.08080	9.6
123.11727	5.3
125.09589	16.1
129.06979	9.8
131.08582	15.5
133.06479	11.6
133.10129	44.7
135.08051	13.3
135.11690	9.5
137.09573	5.9
143.08537	10.1
145.10120	10.8
147.08078	9.6
147.11662	16.7
148.04793	5.6
149.09586	11.5
151.11169	12.4
157.10146	15.4
161.09595	15.9
169.12192	5.8
173.11766	11.7
175.11224	6.9
177.09042	6.6
187.14992	4.8
189.11169	8.7
189.12752	5.2
193.12199	7.3
197.37740	6.2
233.15228	4.9
245.19019	9.0
259.08694	8.0
269.14023	8.5
273.18433	37.3
291.19562	80.7
365.23334	48.5
383.24591	16.8
386.45926	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29898	3.7
53.03928	7.0
55.01867	12.6
55.05507	48.6
57.03447	7.1
57.07064	3.7
59.05001	6.3
65.03939	5.6
65.91732	4.1
67.05501	100.0
69.03412	7.9
69.07067	24.7
71.04986	7.2
71.58945	4.9
72.93804	6.2
73.02919	5.6
77.80458	3.7
79.05489	43.7
81.03411	16.6
81.07051	91.6
83.04998	11.9
83.08599	24.1
85.02893	8.4
88.55853	3.6
90.94810	7.2
91.05486	40.0
93.07039	34.0
95.04967	17.4
95.08608	32.0
97.06504	5.3
97.10182	25.3
105.07017	30.5
107.04951	7.5
107.08593	28.0
109.06517	14.6
109.10154	65.2
111.04426	13.0
111.08090	7.8
117.07007	10.0
119.08581	28.5
121.06523	6.7
121.10147	16.3
123.04443	5.0
123.08112	21.7
123.11710	9.7
125.06052	4.6
125.09643	21.7
129.07011	6.0
131.08580	14.7
133.06618	7.0
133.10136	16.0
135.08066	7.2
135.11691	7.4
137.05986	70.9
137.09569	8.3
143.08533	6.5
145.10136	17.1
147.08066	12.1
147.11676	11.4
149.09645	7.9
151.11160	5.8
157.10159	9.6
159.07993	4.9
159.11713	6.7
161.09680	10.2
163.11208	7.0
165.09117	4.8
173.11720	17.9
175.11166	7.7
177.12785	5.1
189.11203	17.4
193.12300	14.3
195.09886	5.1
203.17976	5.1
209.11913	4.3
213.16319	5.6
223.13213	6.9
227.12836	6.6
231.17368	8.3
245.04745	14.4
247.08521	6.2
249.18538	9.0
273.18481	26.5
277.18005	39.4
287.98282	4.4
291.19495	70.9
295.19003	18.6
298.04721	5.9
313.07205	9.5
365.14124	16.9
365.23355	29.4
383.11063	12.7
383.15503	7.0
383.24527	34.1
393.82230	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	383.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.69091	1.0
53.87476	1.2
55.01875	1.4
55.05501	5.3
56.96550	3.1
57.03421	2.0
57.40644	1.1
59.04984	1.7
67.05500	7.5
69.03401	2.9
69.07080	7.2
70.06572	1.0
70.79375	2.7
71.04980	3.0
73.02874	1.5
76.04010	1.6
79.05502	7.2
80.05014	5.1
81.03398	4.7
81.07059	8.6
81.47969	1.1
82.06558	1.3
83.04963	3.5
83.08611	2.2
84.08148	1.8
85.02904	2.5
91.05479	7.1
93.07050	9.3
95.04953	4.3
95.08627	7.4
96.08142	1.3
97.02888	7.8
97.06509	4.2
97.10176	1.5
98.06030	6.7
99.04436	1.5
105.07030	6.8
107.04953	2.4
107.08589	5.7
108.08100	2.6
109.06528	2.2
109.10149	4.3
110.09656	2.7
114.05539	2.9
115.05468	2.4
116.07098	1.4
116.98618	1.2
117.07018	3.4
118.06550	36.6
119.04946	1.5
119.08601	2.4
121.06502	2.4
121.10139	2.8
123.04405	1.5
123.11674	1.9
124.11185	1.6
125.06001	2.7
125.09615	1.6
129.07021	1.9
130.04996	1.2
130.06532	12.6
131.08531	2.1
133.10143	2.5
135.04459	1.3
135.08017	1.6
135.11678	3.4
137.06018	3.2
138.05470	2.0
142.06532	2.9
143.07265	3.9
143.08459	1.6
144.08083	21.7
144.87033	1.3
145.06468	1.5
145.10115	3.2
146.06007	100.0
147.06357	1.7
147.11769	2.0
149.01303	1.6
149.13196	1.3
150.12798	5.7
151.02171	1.2
152.14351	80.3
153.00034	2.3
157.10146	1.7
161.09633	1.8
161.13226	1.7
163.03882	2.0
163.07359	1.2
165.05479	1.4
165.07928	2.7
165.09157	1.2
169.07664	1.3
170.06018	7.9
173.09650	2.6
177.05568	1.3
178.01733	2.2
178.15941	2.0
179.01689	2.0
183.01111	3.6
184.11198	2.0
187.11166	2.3
188.07065	68.7
189.07266	1.2
196.16978	48.6
196.18787	2.5
205.08574	2.0
205.12291	1.2
207.10207	3.8
208.13356	3.2
209.02716	1.9
210.14880	9.7
215.10753	1.2
221.06139	1.2
221.11668	4.0
225.02072	1.5
237.05817	2.0
239.07364	4.7
254.17471	14.2
259.08554	2.9
263.07202	1.4
264.03198	2.2
267.11270	2.7
268.09265	1.7
278.02994	1.2
281.08234	1.4
282.04376	1.7
285.10031	2.8
310.03854	1.8
337.10544	1.8
339.20691	44.8
351.08569	2.0
366.10135	5.0
383.15088	4.0
383.23297	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01863	1.9
55.05509	6.7
56.96551	3.4
57.03442	2.7
57.07059	1.8
58.06584	1.3
59.04997	1.2
59.53021	1.2
61.02888	1.3
67.01848	1.4
67.05506	9.3
69.03426	2.2
69.07075	6.1
69.31797	2.3
69.32207	10.3
71.04964	1.7
72.17140	1.1
79.05473	7.8
81.03422	2.1
81.07058	11.4
82.06572	1.9
82.95662	1.1
83.04947	1.8
83.08611	2.7
84.08125	1.7
85.02897	2.0
86.42461	1.3
87.74938	1.4
88.03976	1.4
91.03983	1.3
91.05483	5.9
93.07037	11.1
94.06566	2.0
94.27824	1.2
95.04965	3.4
95.08595	6.7
96.08134	1.9
97.02879	5.0
97.06520	3.8
97.10159	2.9
100.11265	3.2
105.07026	4.6
107.04961	6.9
107.08575	5.9
108.08086	1.6
109.06514	2.8
109.10121	6.0
110.09657	2.6
114.05553	4.1
115.05435	3.2
115.65177	1.2
116.07050	1.2
117.06995	3.4
118.06540	36.0
119.08563	4.2
121.06521	1.9
121.10125	3.5
122.09688	2.6
123.10452	1.8
123.11675	1.8
125.05975	1.6
130.06522	10.8
131.08556	3.3
133.10136	3.6
134.99684	1.2
135.08076	1.4
135.11679	4.1
137.05928	1.6
138.05446	1.2
142.06567	3.0
143.07274	3.8
143.08388	1.6
144.08083	18.2
145.06485	1.7
145.10124	2.8
146.06001	85.9
147.11659	1.5
149.02341	4.7
149.06033	1.3
150.02727	2.1
150.12793	3.5
152.14339	100.0
154.15857	1.9
159.11708	2.3
161.09586	1.6
163.11166	2.0
164.14471	1.6
165.05496	13.2
165.07840	2.1
170.05988	5.6
173.09682	2.1
178.15906	1.6
181.12328	1.6
182.15442	1.3
184.11244	2.1
185.13745	1.3
188.07050	61.4
189.09016	3.2
193.04935	5.9
194.05260	5.5
196.16951	55.0
208.13326	3.3
210.14882	13.5
219.01796	1.6
221.11723	16.1
241.07460	1.8
252.15952	2.0
254.17511	10.3
259.08582	1.6
273.18710	1.5
285.10101	3.5
339.20657	47.9
351.08374	1.6
351.12332	1.4
365.22757	1.7
374.16714	1.2
383.14957	3.8
383.23260	71.2
384.23355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79241	1.3
57.04548	6.6
57.47735	1.5
58.05341	4.1
59.40950	1.5
69.03425	3.6
70.05322	1.8
70.06601	2.9
70.60578	3.8
71.05003	2.7
72.05627	1.6
73.06416	12.3
74.07192	16.3
83.04964	1.8
85.02883	2.9
85.06545	2.9
86.07184	7.9
87.07969	100.0
88.07627	6.6
89.65942	1.6
94.53674	1.5
97.02829	2.0
98.97565	1.8
100.07614	5.6
100.08723	4.6
102.09166	10.8
110.07902	1.5
112.08702	2.6
114.10288	30.2
119.06929	18.0
127.03876	1.5
128.11815	4.5
130.08868	2.0
130.09749	11.7
131.10544	8.7
135.04401	3.1
137.05916	1.8
140.06995	1.9
144.11313	53.1
145.06480	1.8
145.08479	1.9
145.12099	6.2
146.09241	2.1
147.04338	2.7
158.12883	66.1
160.10814	3.6
163.03908	7.6
163.09624	8.5
174.12379	25.6
175.08615	2.4
175.13156	4.1
176.13918	2.3
177.11104	3.8
190.11909	3.0
191.03455	3.5
191.12619	3.8
204.13367	2.7
207.12152	4.1
221.12430	75.9
256.44089	1.8
261.46539	1.6
279.13229	2.0
297.14365	3.1
383.09171	3.4
383.13635	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	383.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84285	0.5
55.01871	0.7
55.05504	0.7
63.02391	0.6
63.34495	0.5
67.05508	0.5
68.99812	0.4
69.03433	1.0
69.73161	3.4
72.08147	1.8
78.25683	0.5
79.05473	1.9
81.07046	0.5
89.03916	9.8
91.05466	1.0
93.07045	1.0
95.04953	1.3
95.08601	0.9
98.21445	0.9
105.07030	1.0
107.04965	3.2
107.08553	1.0
117.03386	12.4
119.08531	0.8
121.10149	1.0
129.06978	0.5
130.05574	1.2
130.06523	15.3
132.04463	5.2
133.10152	0.7
135.04416	27.5
144.14519	0.5
145.01749	1.1
145.02856	15.9
145.04007	0.9
146.05995	0.8
148.07588	0.9
157.07613	13.4
158.06024	11.4
158.07303	0.8
159.09169	2.2
163.03909	100.0
164.04247	2.2
165.05511	0.9
166.91058	0.5
173.09766	0.5
175.08681	20.4
176.51582	0.6
185.07108	1.0
186.05438	0.7
203.08171	24.4
204.06551	1.0
204.08321	0.8
218.07275	0.7
219.07953	1.5
220.08987	0.6
221.09216	26.3
222.09560	0.7
229.08585	0.9
231.08008	1.9
232.08835	0.6
234.06839	1.0
235.07666	0.7
237.09142	0.7
245.09680	0.8
247.07532	2.8
248.08214	1.4
249.09142	0.7
259.07602	1.0
261.09055	0.9
262.09897	0.7
263.07144	0.5
263.10651	2.2
265.08591	1.5
275.06927	2.0
276.07935	2.4
277.08545	1.4
278.05692	0.7
279.06592	0.6
279.10010	0.7
290.09357	1.1
291.10132	3.7
292.07224	0.9
293.08023	2.8
297.65359	0.5
305.08099	1.2
305.11642	0.8
307.09650	1.4
308.10431	1.4
319.09650	1.9
320.10455	0.6
321.07620	0.8
322.08359	1.2
323.12769	1.9
330.10867	0.7
336.09894	1.6
337.10764	2.7
351.12344	4.4
352.13184	2.5
353.10223	2.0
368.12320	2.5
383.14932	12.9
383.20047	1.1
384.15143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
54.14146	0.6
54.30634	0.6
54.64507	0.6
55.01871	1.0
55.05495	1.4
57.03424	0.6
57.29369	0.6
63.02427	0.6
67.05486	2.2
67.37129	0.7
69.03434	3.3
69.07058	1.3
70.06572	0.9
70.20132	2.6
71.04988	0.9
77.03919	1.1
79.05489	5.1
81.03410	3.0
81.07054	3.6
83.01973	0.6
84.08126	0.6
85.02882	3.3
87.00829	1.4
89.03922	7.6
91.05479	3.4
93.07049	4.4
95.04948	3.7
95.08606	3.0
97.02880	2.2
97.06516	1.0
98.21404	0.8
103.03979	0.7
103.88503	0.6
105.07041	5.0
106.06556	6.5
107.04958	4.8
107.08575	3.5
109.02892	1.6
109.06506	1.9
109.10165	1.6
111.04482	0.7
111.23315	0.6
117.03378	8.3
117.07049	0.7
119.04902	1.1
119.08582	3.1
121.06545	1.8
121.10157	2.9
123.04429	2.5
123.11738	0.7
129.07018	0.9
130.06532	13.0
131.08572	1.4
132.04437	2.0
133.10130	2.6
135.04411	22.9
135.11681	2.8
137.05994	1.1
143.08557	1.1
145.02846	14.9
145.10117	1.7
146.06001	1.1
147.04411	1.9
147.11641	1.3
149.01151	1.0
154.92697	0.7
157.07614	37.1
158.06070	3.9
158.07983	1.1
159.07988	0.9
159.11739	1.7
161.05984	0.9
161.13235	1.2
163.03906	77.8
163.11150	1.4
164.04260	2.1
165.12814	1.0
173.09549	1.0
175.08688	4.1
175.11108	0.9
185.07162	3.3
187.11176	0.7
199.10796	1.0
203.08156	100.0
204.08533	3.5
213.85245	0.7
221.09221	2.8
243.13814	1.3
248.08403	0.9
261.14841	1.4
291.09729	0.9
295.10834	2.6
313.25049	0.7
321.18887	0.8
336.10013	0.7
337.11429	2.0
339.12247	0.8
365.11301	19.8
365.15787	0.8
383.15454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55553	0.3
56.96295	0.5
56.96564	8.2
59.96742	0.3
60.65602	0.3
69.45275	2.8
71.95260	1.4
74.46005	0.3
96.45052	0.3
96.75486	0.3
98.97581	52.5
116.98618	57.9
119.01894	0.4
134.99657	49.8
140.00189	1.1
153.00703	9.9
153.01920	0.7
158.01277	2.5
174.97557	0.4
177.00952	1.3
179.00674	0.4
192.98798	0.6
216.98721	0.8
219.01897	1.5
220.02167	0.9
234.66904	0.3
234.99843	2.7
236.00099	0.6
236.99922	0.5
240.98628	4.3
253.01096	0.6
258.99783	44.5
259.99960	2.6
261.00079	0.5
261.03021	1.6
262.00388	0.3
262.03140	0.9
263.02914	0.7
264.99069	0.4
277.00824	100.0
278.00998	5.2
279.00980	0.9
282.01318	2.1
282.99942	5.7
283.99963	2.0
284.99957	0.7
295.01923	2.0
300.02429	4.1
300.97546	0.8
301.01022	15.6
302.01147	5.2
303.00928	2.2
316.98749	0.5
318.98703	0.4
319.01950	1.5
320.02432	0.4
324.02588	0.5
341.01987	0.5
359.01532	3.1
377.02762	1.8
382.99783	0.9
401.01013	3.8
402.01260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1709
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
56.96561	3.7
59.04992	4.3
68.06732	3.4
69.07089	4.3
70.00799	2.9
70.04543	17.6
72.04536	7.6
83.04988	4.3
85.02883	5.9
85.06568	5.1
89.03914	8.0
90.05562	75.0
91.05439	4.8
95.04966	3.9
116.03463	7.8
117.03385	4.9
121.64369	3.4
124.07585	10.6
137.85039	3.8
147.04430	6.6
147.06448	3.5
147.92905	3.7
151.82028	3.7
163.03928	21.1
164.04196	4.2
166.08553	3.4
168.53542	3.5
184.09680	13.5
202.10773	21.8
220.11816	100.0
382.11459	6.7
383.09436	10.2
406.88303	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.8
55.01864	36.7
55.05515	66.6
56.96555	12.7
57.03188	5.7
57.03441	67.8
57.07094	7.3
58.77307	4.4
59.04986	11.3
61.70450	4.4
61.93642	4.4
63.81840	4.2
66.69147	6.0
67.05504	85.3
69.03423	30.7
69.07059	28.9
71.04990	18.5
71.59656	7.4
79.05492	93.2
79.05952	5.8
81.03419	39.2
81.07058	100.0
83.01338	15.0
83.04979	58.5
83.08615	28.6
84.02126	10.6
85.02905	17.2
85.06539	9.4
86.64449	4.8
87.04455	8.0
91.05483	77.7
93.07039	93.7
95.04958	32.3
95.08602	32.5
97.02890	26.6
97.06521	28.0
97.10166	28.3
99.04444	18.3
99.08081	11.8
100.56138	5.1
105.07018	44.3
107.04958	26.7
107.08600	64.9
109.06510	18.9
109.10158	34.3
111.04460	38.3
111.08064	13.4
113.06087	5.3
115.05433	10.6
116.04799	6.4
117.07055	28.9
119.04974	5.6
119.08578	55.6
121.06499	18.6
121.10121	32.0
123.04461	9.5
123.08070	23.7
123.11681	5.9
125.09618	31.0
128.06230	7.3
129.05444	8.1
129.06993	13.9
131.08565	30.5
133.06415	5.6
133.10135	18.3
135.08066	22.9
135.11713	37.4
135.70311	5.1
136.08682	6.8
137.05942	7.4
137.09610	10.6
139.03865	4.8
139.07549	8.5
143.08543	13.2
145.06516	5.7
145.10121	50.6
147.04398	5.9
147.08054	10.1
147.11703	12.8
149.02335	10.3
149.09596	11.2
149.13306	6.3
153.09052	6.7
153.12750	21.8
155.08553	6.5
157.10054	9.6
159.08018	17.5
159.11647	15.0
161.09590	6.9
161.13290	5.1
163.07603	9.5
163.11200	80.7
169.10179	5.0
171.11681	13.9
173.09650	30.5
175.11180	5.3
181.12259	27.4
187.07553	10.8
189.09164	6.8
189.11250	16.5
191.10622	22.0
209.11713	36.7
219.10158	19.4
227.12717	41.1
241.08557	18.0
243.17419	11.2
261.18423	11.2
266.73257	5.1
271.17014	13.8
275.20090	7.5
283.15390	59.7
284.16168	16.9
285.10007	7.8
289.17844	40.7
295.00403	5.2
307.19086	9.9
363.21643	11.6
381.18570	14.9
381.22681	47.2
381.28073	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	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.01872	34.9
55.05305	3.3
55.05511	35.5
56.36662	2.8
56.96561	6.7
57.03437	58.7
57.07057	3.2
65.03953	8.0
67.05505	92.8
68.05825	3.5
69.03422	9.8
69.07063	28.8
71.01335	4.6
71.04979	7.0
73.02911	2.8
75.54527	2.5
79.05489	83.0
81.03425	24.0
81.07054	84.9
83.01344	11.9
83.04977	43.2
83.08614	11.9
83.87248	3.1
85.02904	6.0
85.06525	11.1
91.05476	100.0
93.07044	62.8
95.04964	73.1
95.08607	43.1
97.02878	11.7
97.06514	13.1
97.10158	11.5
98.07291	3.8
103.05457	8.6
105.07024	73.0
107.04952	96.6
107.08595	35.6
108.05733	8.1
109.02810	3.7
109.06520	40.4
109.10186	24.1
111.04436	9.3
111.08055	7.1
112.05195	8.0
113.06025	6.1
115.05431	4.9
117.07014	45.5
117.87540	2.8
119.04926	11.5
119.08580	43.0
120.08946	3.4
121.02927	4.3
121.06509	32.3
121.10132	23.6
122.07305	17.0
123.04384	15.5
123.08086	15.5
123.11696	5.6
125.06001	8.2
125.09646	10.9
128.06177	7.7
129.05478	8.6
129.06989	18.9
131.04939	6.7
131.08568	37.1
133.06500	39.7
133.10132	20.6
135.04414	4.8
135.08060	17.3
135.11708	14.9
137.05969	8.6
137.09616	10.6
141.06966	7.5
143.08575	12.8
145.06453	28.3
145.10114	21.6
147.08070	29.5
147.11676	12.7
149.09608	12.1
149.13237	3.7
151.07549	5.9
151.11177	4.6
155.08569	13.7
156.09360	3.7
157.10083	6.7
159.08047	14.0
159.11690	11.7
161.09599	18.1
161.13287	4.1
162.10356	5.1
163.07596	7.3
163.11163	9.3
165.09108	8.7
169.10051	6.6
171.11703	10.3
173.09641	6.3
173.13266	11.6
175.11165	5.7
177.12767	5.9
185.09633	3.7
187.11214	6.6
187.14827	12.0
189.11232	4.4
189.12772	8.1
197.13339	6.4
203.14471	3.7
205.15887	7.4
215.14371	16.8
217.15884	5.8
219.10170	3.1
229.07594	3.6
233.15364	58.3
251.16446	8.2
257.08057	7.4
257.10696	3.1
261.14810	8.5
261.18555	3.0
267.09149	3.1
271.16901	6.5
273.18399	8.2
285.10049	9.2
289.18021	13.1
290.18716	5.2
295.36200	4.1
307.19025	23.1
335.14407	4.9
335.18503	51.0
363.21512	3.8
381.17978	5.7
381.22745	26.7
381.27594	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	381.2059
Annotation	Chlorophorin
Peak:m/z	Relative Intensity
54.10170	1.0
55.01859	1.0
55.05520	1.5
57.07064	1.5
65.03933	1.4
67.05512	9.5
68.99786	3.4
69.06719	1.8
69.07067	23.5
70.92561	1.1
70.92896	2.8
79.05495	6.2
81.07057	37.9
89.40150	1.0
91.05499	5.5
93.07050	4.9
95.04964	4.7
95.08611	12.0
107.04964	7.1
107.08553	2.3
108.08893	0.9
109.10131	6.0
111.04482	2.2
111.11698	1.6
119.04921	8.6
121.06493	3.6
123.04426	100.0
123.11704	1.1
124.04672	1.2
125.06055	1.1
134.12030	1.0
135.04416	12.1
135.11673	2.3
137.05972	14.9
137.13269	1.7
141.06990	1.2
145.06532	1.5
147.04411	64.7
148.05138	3.6
149.05972	4.2
160.05217	1.1
161.05956	6.6
163.03915	9.0
163.07561	4.4
165.07024	2.0
169.06419	1.5
173.05984	5.3
174.06758	3.4
175.07597	7.1
177.09094	3.8
183.08078	2.6
187.07576	8.6
189.09096	12.5
191.10724	1.2
201.09094	1.3
203.10641	2.1
211.07518	9.2
213.09085	2.1
215.07080	2.4
215.10623	3.9
218.89217	1.1
229.08577	13.9
239.07071	3.7
241.08559	1.4
242.05739	3.6
245.08067	1.5
257.08090	90.9
258.08432	3.6
259.09720	5.5
259.17065	1.3
269.08044	2.2
271.16968	1.9
281.11642	8.8
283.09781	1.3
297.11246	2.0
299.12787	23.3
300.13278	1.7
325.14294	12.0
381.20572	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	381.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01848	1.6
55.05496	3.4
57.07057	1.2
60.33575	1.0
61.51109	0.9
63.06656	0.8
67.05508	7.4
68.99790	4.9
69.07069	26.1
70.84516	2.7
79.05492	6.4
81.06584	1.9
81.07056	33.6
83.08612	1.5
91.05492	5.0
92.00704	0.9
93.07046	5.2
93.07536	1.0
95.04431	0.8
95.04940	4.6
95.08599	10.0
97.02862	1.5
105.07018	2.6
107.04950	7.4
107.08572	2.0
109.06512	2.0
109.10178	4.9
111.04467	1.4
111.11710	2.1
117.06998	1.0
119.04939	8.0
119.08595	1.2
121.02884	0.9
121.06493	2.4
123.04427	100.0
124.04768	1.7
125.05969	0.9
131.04945	1.7
133.10095	0.9
135.04407	11.1
135.11668	1.9
137.05981	17.3
137.13272	2.7
141.06949	2.2
145.06549	1.9
147.04414	66.8
148.05081	3.9
149.05968	3.9
152.26797	0.9
153.06769	0.9
159.08017	1.2
160.05151	1.5
161.05978	6.8
163.03876	8.0
163.07559	2.0
165.06978	2.8
173.05998	4.8
174.06783	4.6
175.07539	6.1
177.09094	2.6
183.08017	3.4
187.07549	7.9
188.58864	1.0
189.09100	11.6
191.10648	1.5
203.10620	1.5
211.07605	6.8
213.09027	2.1
214.06398	1.5
215.07010	2.9
215.10649	2.8
223.07358	0.9
229.08580	11.5
239.07106	4.4
240.07570	1.2
241.08542	1.6
242.05807	2.2
245.07990	1.1
257.08090	87.5
258.08502	4.8
259.09601	6.1
259.16956	1.4
269.08078	2.2
271.17236	1.1
275.61713	1.2
281.11679	9.5
297.11304	1.9
299.12784	26.1
325.14328	11.1
381.20596	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	381.2058
Annotation	Norbixin
Peak:m/z	Relative Intensity
55.01623	0.2
55.01871	2.5
57.23987	0.2
59.04988	0.5
63.74546	0.2
65.03919	0.3
67.05506	1.3
68.99797	0.8
69.03413	0.5
69.07057	1.0
69.89954	1.0
78.73940	0.2
79.05479	0.6
81.07061	1.5
83.01335	0.3
91.05476	0.9
93.07024	0.3
95.01299	0.2
95.04970	2.4
95.08607	0.5
97.02901	1.2
103.05470	0.2
105.03368	0.3
105.07013	0.3
107.04942	1.3
115.05467	0.3
117.06985	0.4
119.04939	0.4
119.08598	0.2
121.02846	0.4
121.06471	0.2
123.04424	8.2
126.25501	0.2
128.06233	0.3
129.07039	0.2
131.04890	0.2
131.08562	0.4
135.04428	1.3
135.08040	0.4
137.02357	0.4
141.06998	0.7
143.08528	0.4
144.05721	0.2
145.06441	0.6
147.04405	4.1
147.08128	0.2
149.05907	0.3
153.06982	0.7
154.07652	0.2
155.08536	1.0
156.38139	0.2
157.06499	0.6
159.07980	0.5
160.05112	0.3
161.05978	2.1
165.05605	0.3
165.06982	1.7
167.08577	0.3
168.05685	0.4
169.06516	0.3
171.08109	0.2
173.05983	2.9
173.09598	0.4
175.03876	0.4
175.07574	0.5
181.06509	0.3
183.08034	1.7
185.06049	0.5
186.06749	0.3
187.03920	1.3
187.07599	1.2
193.06523	0.2
197.06033	1.2
198.06645	0.2
199.03880	0.2
201.09071	0.8
203.07051	1.3
210.06729	0.3
211.07535	4.0
212.08253	0.4
213.05481	0.4
213.09081	0.5
214.06216	0.9
215.07048	1.6
221.06052	0.2
229.08691	0.8
239.07028	8.2
240.07619	0.9
242.05757	1.2
245.07933	0.2
246.99358	0.2
247.08377	0.3
257.08081	100.0
258.08453	4.0
265.13687	0.2
271.09641	0.5
297.11206	0.4
381.20523	2.4
381.25790	0.3
391.54742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05503	0.9
56.96559	0.7
59.05001	0.6
67.05498	2.6
68.99795	1.4
69.07063	2.7
69.47928	3.3
71.18288	0.4
79.05479	1.8
79.49030	0.4
81.07062	3.4
83.01347	0.6
91.05485	2.5
93.07024	1.2
95.04966	2.7
95.08595	1.2
97.02869	1.1
105.07019	1.1
107.04946	2.5
107.08575	0.8
109.06429	0.5
109.10154	0.6
117.07066	0.4
119.04890	0.6
119.08590	1.1
121.06546	0.8
123.04427	9.2
131.08574	0.7
133.10132	1.1
135.04396	0.7
135.08112	1.0
137.02234	0.5
141.06956	1.0
143.08559	0.5
145.06483	0.9
145.10060	0.5
147.04398	4.2
147.08005	0.9
147.11673	0.6
153.06949	0.8
155.08548	1.4
157.06491	1.0
159.08105	0.6
160.05141	0.5
161.06004	2.8
165.07002	2.4
168.05707	0.5
169.06506	0.9
171.08008	0.6
173.05965	3.6
173.09660	0.5
175.03810	0.4
177.12982	0.4
183.08080	1.5
185.06012	0.6
187.03906	1.3
187.07584	1.1
193.06258	0.4
197.05977	1.1
201.09151	0.6
203.07033	1.7
211.07553	4.7
212.07840	0.4
214.06323	0.5
215.07014	1.6
235.71463	0.5
239.07037	8.2
240.07678	1.2
242.05721	0.6
255.62764	0.4
257.08081	100.0
258.08475	4.7
271.09604	0.9
325.14136	0.8
381.20697	2.6
381.26056	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78765	1.8
55.05508	2.6
56.05027	2.1
56.96551	8.1
56.96805	1.9
57.03421	1.9
57.04554	17.3
58.06556	2.0
60.04523	2.1
69.03426	5.8
69.04565	16.7
70.06582	6.4
70.77982	5.2
70.78353	2.4
71.04974	6.2
72.04511	13.6
72.05660	11.6
72.08183	3.4
72.93772	2.5
73.02916	2.2
73.06415	16.2
74.07200	12.8
80.20741	1.7
80.65203	1.7
81.03437	3.1
82.06564	3.0
83.04979	14.4
83.06114	3.2
84.04491	2.8
84.05618	8.3
85.02905	11.2
86.06071	5.9
86.07198	14.4
87.07964	20.9
95.04970	1.8
97.02882	4.9
97.07627	1.8
98.06068	4.9
98.07179	4.4
98.97583	6.4
100.07626	8.5
100.08745	18.3
101.05943	3.5
102.06643	3.6
112.08712	15.5
114.10278	3.3
115.07429	2.9
116.07070	2.5
116.98624	7.2
119.06932	2.7
119.80162	1.8
125.07118	3.0
127.03835	2.1
128.08203	45.2
129.08984	5.1
129.12602	8.2
130.05016	2.2
134.99704	4.1
142.09758	53.2
144.11357	5.1
146.08133	5.9
146.99619	3.0
147.04434	3.9
155.10577	3.5
156.11322	37.4
157.09761	2.9
157.12114	3.1
158.09258	4.4
161.07956	3.1
161.11589	3.8
163.03867	3.5
172.10800	33.1
174.12375	100.0
175.12621	2.3
177.00754	4.0
187.09523	4.7
189.00710	2.8
189.11147	6.7
201.09834	24.3
202.11876	57.3
205.03783	1.8
205.10547	2.9
217.07004	2.0
218.11249	2.3
219.10899	13.1
230.11354	10.3
237.02817	7.2
243.12248	3.3
244.12929	8.4
260.12479	7.5
318.16660	5.9
321.08545	2.3
324.15298	2.2
339.09674	2.5
381.07852	8.4
381.16296	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	381.1542
Annotation	Bitalin A-12-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01882	0.5
55.05522	0.5
57.03433	0.6
58.41256	0.5
59.05006	2.7
59.37569	0.4
65.03925	0.8
67.05502	1.1
67.39560	0.4
69.03435	1.8
69.07081	0.8
70.26732	1.9
71.04984	0.6
79.05502	1.0
81.07063	1.3
83.04944	0.6
85.02904	0.7
87.79031	0.5
91.02135	0.5
91.05476	8.1
93.07042	0.6
95.04971	1.0
95.08578	1.2
97.02888	1.2
105.07033	2.0
107.04946	1.2
107.08591	0.8
109.06520	2.3
111.04442	1.7
115.05441	0.9
116.06222	2.3
116.10229	0.5
119.04937	32.0
119.08587	0.8
120.05257	0.9
121.06480	1.0
121.10145	0.8
123.04478	0.8
128.06236	1.2
129.06996	2.2
130.06512	0.8
131.08565	13.4
133.06505	0.6
135.04381	0.5
137.06017	0.8
139.03891	1.9
141.06985	1.8
143.08528	2.3
144.05695	1.5
145.02875	0.7
145.06485	1.4
145.10089	1.0
147.04401	0.9
158.06110	0.6
158.07289	2.0
159.08054	23.4
160.08627	0.6
161.05907	3.1
161.09621	1.6
162.06821	0.5
163.07620	0.6
163.11269	0.6
165.05467	0.9
169.06454	0.7
171.08115	0.5
173.09590	1.0
174.06776	0.9
175.07481	0.5
177.05504	1.1
179.05916	0.6
186.06778	1.5
187.07539	65.6
188.08032	2.4
189.05470	6.5
189.09039	3.0
191.10672	0.8
201.09077	6.5
204.07820	1.3
207.06482	0.8
208.06796	0.7
219.10153	100.0
220.10535	2.5
289.09558	0.7
302.17789	0.5
307.10587	0.6
335.10065	0.7
363.09601	0.8
381.15567	5.2
381.23193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05518	0.9
57.03443	0.6
59.05009	2.1
65.03953	0.8
65.56845	0.3
67.05513	1.3
69.03426	2.3
69.07064	0.6
71.05019	0.4
71.58931	0.7
73.51707	0.4
77.88055	0.4
79.05522	1.2
81.03425	0.9
81.07060	1.8
83.08614	0.6
84.04508	0.4
85.02938	0.8
85.06580	0.6
89.03956	0.4
91.05482	8.3
91.06010	0.6
93.07061	1.6
95.04971	0.9
95.08627	1.4
97.02905	1.2
97.06558	0.6
97.14789	0.4
103.05473	0.6
105.07042	1.7
107.04958	1.0
107.08572	1.0
109.06506	1.5
109.10184	0.6
111.04453	1.1
114.05558	0.5
115.05470	1.1
116.06245	1.4
117.03406	0.4
117.07059	0.7
119.04946	29.0
119.08598	1.3
119.36784	0.4
120.05318	0.7
120.21574	0.4
121.06530	1.2
121.10161	1.1
123.04469	0.9
123.08021	0.8
123.11686	0.6
127.03924	0.5
128.06224	0.9
129.07010	2.0
130.06544	1.4
131.04985	0.5
131.08568	9.9
131.09514	0.7
132.04469	0.7
133.06476	1.2
133.10164	0.5
135.04425	0.7
135.11765	0.7
137.05992	0.8
137.09682	0.4
139.03885	2.0
141.07010	1.6
143.08586	2.1
144.05719	1.4
145.02855	1.2
145.06506	1.3
145.10168	0.9
146.03181	0.8
147.04424	0.8
147.07993	0.5
157.07660	0.8
158.06050	0.9
158.07307	1.7
159.08063	20.7
159.11639	0.6
160.08455	0.7
161.06000	2.1
161.09641	1.4
163.03909	0.7
165.05414	0.4
169.06413	0.9
173.09621	1.3
174.06720	0.6
175.04076	0.5
175.07489	0.6
175.11183	0.5
176.04282	0.6
177.05481	1.4
177.09157	0.4
178.05862	0.7
179.05957	0.6
186.06778	1.3
187.07550	62.8
188.08095	1.8
189.05458	6.3
189.07104	0.5
189.09084	3.4
201.09111	5.3
201.74440	0.4
204.07965	1.3
207.06575	0.7
208.06894	0.5
219.10165	100.0
220.10515	2.9
228.92509	0.4
236.06929	0.5
271.16907	0.4
327.72253	0.4
335.09775	0.9
353.10968	0.5
363.09744	1.1
381.10760	0.5
381.15280	4.5
381.23062	0.5
381.27921	0.5
401.27817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06126	6.0
64.19817	5.3
67.40765	6.4
69.51633	47.4
69.51983	4.8
80.47164	5.3
92.70527	5.7
98.21536	10.0
101.73782	6.4
170.35999	5.4
196.88588	6.2
244.94084	5.7
328.05396	6.4
381.07947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03947	2.8
69.60522	0.5
74.21668	0.6
77.03933	0.8
78.03436	1.1
78.03850	0.6
90.41756	0.5
91.05465	4.1
95.04961	5.9
96.04488	100.0
97.04841	0.9
98.21525	1.3
103.05499	0.6
105.04488	1.9
105.07030	5.4
115.05453	3.7
119.04940	19.9
128.06200	3.7
129.07005	21.7
133.06490	6.6
134.07275	23.4
136.07555	4.6
141.06979	4.2
143.08505	0.7
145.06462	0.7
145.58073	0.5
153.07004	1.0
155.06068	0.5
157.06505	3.7
165.06969	0.8
166.07802	1.0
167.08615	1.7
169.06488	1.2
170.07237	1.1
171.08054	1.3
173.30301	0.5
181.06441	1.7
181.10106	0.8
183.08011	0.7
184.05284	0.6
185.05975	47.8
186.06679	2.7
194.07274	0.9
196.07573	1.2
197.09663	1.6
198.06808	0.9
199.07556	7.2
209.09642	1.2
210.09178	0.7
216.97603	0.5
218.45477	0.6
227.10658	42.6
228.11087	1.1
246.70552	0.6
286.11823	0.6
348.13782	0.8
349.14630	0.8
380.16855	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30536	0.9
55.05498	1.0
65.02560	0.9
67.05498	2.0
69.03442	1.1
69.07056	1.5
70.06880	4.5
81.07027	1.2
82.02002	1.0
91.05473	1.3
93.07020	1.5
105.07043	1.7
107.04992	1.1
109.46733	1.1
121.06544	1.0
122.36040	1.0
130.75865	1.1
133.10132	1.4
145.10184	1.1
205.08316	1.5
241.91878	1.0
257.08252	1.3
293.13861	1.1
379.24554	100.0
380.25076	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07542	0.5
55.05512	0.6
67.05495	1.1
69.07058	1.9
70.02265	1.2
70.02665	1.2
81.07040	0.8
91.05471	0.5
95.08597	0.9
98.21451	0.6
123.04437	0.9
131.08575	0.5
161.06029	1.0
184.81015	0.4
194.77428	0.5
217.71809	0.4
257.08078	0.7
281.07993	0.6
281.17194	1.1
295.09677	0.9
297.11075	0.5
309.16846	1.1
347.16418	0.5
379.24521	100.0
380.20251	0.4
380.24857	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	379.1902
Annotation	Pawhuskin B
Peak:m/z	Relative Intensity
51.59082	0.3
55.01867	3.5
55.05509	1.8
56.96595	0.9
59.05027	0.6
65.03967	0.5
67.05502	3.6
68.99830	1.2
69.03452	0.8
69.07076	2.6
71.11079	0.8
79.05479	2.1
81.03471	0.5
81.07058	6.2
83.01349	0.6
91.05492	3.0
91.05917	0.3
93.07039	3.5
95.04963	3.2
95.08630	0.8
96.04530	0.8
97.02880	1.6
97.10200	0.5
103.05482	0.4
105.03437	0.5
105.07080	1.3
105.72015	0.4
107.04957	4.5
107.08603	2.5
109.06567	0.5
109.10134	3.0
115.03973	0.4
115.05533	0.6
117.07015	0.7
119.04997	0.6
119.08620	0.8
121.02934	1.1
121.06549	1.2
121.10221	0.5
123.04424	10.1
123.05290	0.5
123.11746	0.6
128.76694	0.3
129.07031	0.7
131.04980	1.5
131.08627	1.0
133.06531	0.6
135.04395	4.9
135.05237	0.4
135.08078	1.0
135.11690	2.2
137.02365	0.5
137.05988	0.4
138.51872	0.3
141.06996	0.9
143.08588	0.7
145.06525	1.2
145.10185	0.6
147.04407	5.6
147.08063	0.8
149.06013	0.6
153.07051	0.9
155.08646	1.2
157.06509	0.9
157.10178	0.4
159.04437	0.4
159.08095	0.8
160.05263	1.2
161.05981	3.3
161.09691	0.4
165.05746	0.5
165.07056	2.1
167.08611	0.3
168.05682	0.5
169.06487	0.7
171.04465	0.4
171.08118	0.7
173.05966	3.8
173.09662	0.4
175.03926	0.6
175.07515	0.6
181.06444	0.6
183.08018	1.9
185.05986	0.8
186.06845	0.5
187.03934	2.5
187.07544	1.1
195.08011	0.6
197.05983	2.1
198.06779	0.5
201.09143	1.1
203.06978	1.9
207.25711	0.3
211.07527	5.0
212.08308	0.5
213.05365	0.7
213.09009	0.8
214.06258	1.6
215.07060	1.9
223.07655	0.6
225.09201	0.6
226.06137	0.5
227.07043	0.6
229.08632	0.7
239.07008	12.0
240.07654	1.0
241.08536	1.0
242.05762	1.5
245.07977	0.6
253.08527	0.9
255.06544	0.5
255.10022	0.5
257.08081	100.0
258.08383	3.8
264.07791	0.6
269.08011	3.6
271.09567	0.9
281.08087	9.1
282.08582	0.6
282.29440	0.4
295.09628	1.9
296.10019	0.7
297.11200	4.3
298.11420	0.4
309.11105	0.5
311.12689	1.3
323.12732	3.5
336.13098	1.0
364.92218	0.4
379.18939	13.5
379.26007	0.8
380.19254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1902
Annotation	Mulberrofuran L
Peak:m/z	Relative Intensity
55.01857	2.1
55.05493	1.2
56.96528	0.9
67.05490	4.1
68.62573	1.0
69.07064	11.1
71.41415	2.3
79.05480	2.7
81.07057	17.4
91.05470	2.5
93.07020	1.5
95.04958	0.9
95.08579	3.3
97.39689	1.0
105.07010	2.5
107.04951	7.7
107.08554	1.9
117.07020	1.7
119.08537	1.3
123.04403	2.6
123.11669	2.3
128.06215	2.8
131.08543	1.3
133.06442	1.4
133.10251	1.0
143.08517	1.3
145.06479	2.0
151.26730	1.1
152.06192	1.1
153.06940	3.8
155.08549	1.3
157.06453	3.8
159.07985	1.1
161.05962	2.1
164.15392	1.1
165.06964	2.7
171.08026	7.3
173.05980	2.2
174.09279	1.1
175.07550	1.4
177.11005	1.2
181.06447	6.0
182.07222	1.4
183.08006	4.3
184.05171	2.1
185.05933	2.9
187.03944	1.2
194.11768	2.5
195.07971	1.7
195.12059	2.4
197.05963	3.2
199.07529	11.9
207.08237	1.1
210.06718	1.6
211.07503	4.0
213.05453	10.3
213.09016	1.4
214.06116	2.1
215.07007	5.2
227.07010	28.9
228.07800	12.7
229.08635	13.2
239.07016	12.6
241.08583	2.5
251.07195	1.1
252.07716	2.3
253.08582	9.5
255.06516	90.4
256.06870	2.3
257.08032	1.9
260.77725	1.1
265.12122	5.0
266.09406	7.1
267.10190	5.2
268.10864	2.0
269.11722	1.7
282.12488	2.2
338.21054	1.1
351.19525	46.6
352.19843	1.7
356.21774	2.0
379.18979	100.0
380.19223	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	379.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03439	0.5
55.01822	0.4
61.84474	0.4
67.05432	0.4
69.03396	0.9
69.07027	0.8
70.06579	1.0
70.35533	0.9
70.35947	1.3
79.05438	0.7
84.04514	0.9
84.08099	0.5
85.02871	0.9
93.60498	0.4
94.06605	0.4
97.02889	0.6
100.39920	0.6
107.08535	0.5
112.02212	0.5
114.05418	0.5
116.98506	0.5
124.05077	0.8
130.04982	1.1
132.94977	0.4
139.03842	0.7
145.02760	0.6
149.04567	2.0
161.08336	0.5
162.71234	0.5
163.03893	1.5
166.07172	1.0
189.06355	1.1
201.06432	1.9
202.07254	3.1
203.07976	3.6
204.08821	11.7
215.08043	2.0
216.08817	100.0
217.09579	5.0
218.10361	8.4
225.06464	5.2
226.07220	2.7
227.08035	1.8
228.08818	1.0
229.09639	1.2
230.06821	0.6
230.10384	10.4
238.18066	0.6
240.08810	23.1
241.09662	1.0
242.10359	6.1
244.08311	1.9
245.73599	0.5
246.09883	12.4
257.11621	0.6
258.09821	6.7
268.08301	1.3
283.09427	2.0
286.09360	34.3
287.09952	0.8
315.12103	2.6
325.07281	0.5
329.10043	1.0
333.13092	2.2
334.17627	0.7
343.11615	0.7
347.10904	3.3
361.12610	4.6
379.09540	2.3
379.13736	28.1
379.18509	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87324	1.7
55.05513	2.3
57.03382	1.5
67.05511	1.8
69.03419	6.5
69.07065	2.1
70.06590	6.7
71.59147	2.9
72.08149	6.0
81.03414	2.6
84.04523	2.1
84.08146	3.4
85.02900	3.8
86.09720	1.9
91.05442	2.2
93.07030	2.9
93.38790	1.9
95.04961	1.7
97.02892	2.3
98.06027	1.6
109.10195	1.7
117.57086	1.8
120.08132	4.7
122.06062	2.2
131.04893	1.8
134.38109	1.6
139.45482	1.7
139.56836	1.5
145.02824	3.7
147.04411	3.4
163.04008	1.8
177.05507	2.8
181.04829	1.9
185.04216	62.6
188.07027	2.3
189.10318	2.2
205.12933	1.8
207.06482	1.8
217.04747	16.2
233.26213	1.9
235.65979	1.8
276.54999	1.9
343.13351	2.0
361.13840	2.8
372.74292	1.9
379.10037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	1.3
70.49334	1.8
71.04990	1.2
79.05501	1.8
81.07031	1.0
91.04984	1.1
91.05479	7.6
105.07051	1.5
107.08600	1.3
123.04565	0.8
131.08609	1.2
133.10094	1.2
136.07494	1.0
145.02835	1.6
147.57950	0.9
164.30818	1.0
177.05505	3.1
217.04849	1.0
218.75497	0.9
227.05122	1.5
271.04251	4.2
283.05923	1.7
293.10034	5.4
307.36438	1.1
317.10083	1.3
335.11035	34.4
379.09982	100.0
380.10278	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	377.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44180	6.4
55.05507	12.2
56.81863	7.5
57.64351	6.5
65.85667	6.8
67.05511	23.9
69.07054	9.1
71.59727	14.1
77.59126	6.7
79.05477	14.2
81.07054	23.1
83.89749	7.2
88.00960	7.5
91.05458	18.6
92.11265	6.7
93.07026	24.7
95.08604	14.7
97.04005	9.0
107.08616	10.4
109.10168	8.3
113.07119	19.4
121.10146	8.9
130.06534	6.2
137.10727	10.0
141.10205	13.8
147.11690	9.1
171.06717	8.7
179.11726	8.7
238.04213	7.0
250.43413	7.0
286.21582	14.5
334.27393	9.0
335.26904	80.5
345.25330	38.2
377.27887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.01870	0.7
55.05501	0.8
56.05009	0.5
56.96560	1.0
57.03423	1.0
65.47343	0.5
67.05485	0.9
69.03423	2.3
70.06563	1.4
70.57543	0.5
71.04985	0.8
71.58102	0.8
72.08138	0.6
74.14421	0.5
79.05482	1.1
81.03444	1.2
81.07058	0.9
83.04954	0.7
84.04471	0.8
84.08152	0.7
85.02898	3.9
87.00813	1.1
88.03922	0.5
91.05466	1.0
93.07045	0.7
95.04964	0.6
95.08587	0.6
95.91768	0.4
97.02884	1.3
99.04453	0.9
101.05984	0.9
105.01875	0.5
109.02879	1.4
127.03903	2.5
129.05478	11.0
131.08546	0.7
132.95842	1.2
135.04422	0.8
137.05959	0.7
150.96890	0.9
159.08099	0.5
163.03926	0.9
174.96828	1.0
186.02187	1.0
186.96927	0.8
187.02570	0.8
215.05391	0.7
215.12537	6.6
234.98997	1.4
288.09802	0.5
291.05499	0.5
359.07309	1.2
377.08435	10.4
377.17798	100.0
378.08841	0.9
378.18106	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	377.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59090	0.6
52.62373	0.6
53.03942	1.2
55.01863	1.2
55.05500	2.0
57.03416	0.9
62.31639	0.6
65.03940	0.6
67.05509	3.8
69.07071	4.3
69.32710	1.4
69.33109	5.7
79.05498	2.8
81.07053	8.2
82.89206	0.5
91.05465	2.5
93.07034	4.5
95.04962	0.9
95.08601	1.2
97.10145	1.1
105.07011	1.7
107.08599	3.0
109.06489	0.9
109.10140	4.4
117.07003	1.4
119.08557	1.1
119.76675	0.6
121.06543	0.7
128.06219	1.1
129.06992	0.7
131.04893	1.0
131.08592	1.3
133.02858	1.0
134.03671	0.6
135.11678	2.3
141.01482	1.1
143.08548	1.1
145.06491	0.8
147.04405	2.4
153.07011	2.1
157.06528	1.3
159.04401	0.7
161.02365	0.8
171.08028	2.3
177.12845	0.6
181.06468	3.6
184.05199	1.1
187.03882	0.6
198.06825	0.7
199.07491	5.0
204.35385	0.6
223.07539	1.1
226.06270	1.0
227.07013	13.0
239.07011	3.8
242.05730	2.6
251.07042	2.2
255.06514	100.0
256.06879	3.4
266.05600	0.8
267.06577	3.8
267.09943	0.9
269.08051	1.6
279.06522	18.5
280.06900	1.4
281.07953	1.0
293.08090	3.4
295.09677	3.6
297.06409	0.9
303.23163	3.4
306.08868	1.0
309.11099	1.1
321.11172	3.7
334.11447	0.9
377.12766	1.2
377.17413	11.6
377.27054	1.8
378.17755	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
57.07076	8.4
63.02368	0.7
65.57020	0.3
69.07034	0.3
71.07532	0.3
71.59615	0.5
71.60009	0.4
79.05491	1.2
81.07072	0.4
82.04108	0.3
83.02972	0.3
91.05479	0.6
93.07014	0.4
95.08585	0.3
105.06998	0.7
107.04931	1.1
107.08578	0.7
111.02425	0.6
111.81770	0.3
113.01988	0.7
113.64343	0.3
116.62728	0.3
117.07042	0.7
121.06477	0.9
121.10175	0.3
126.70505	0.3
127.23012	0.3
131.08540	0.3
133.06447	0.7
135.04408	7.5
135.08017	0.5
135.11732	0.4
140.14769	0.3
141.01466	100.0
142.01834	0.8
143.08560	0.3
145.10204	0.5
148.08823	2.0
163.07574	1.4
163.11174	10.5
163.53999	0.3
172.06816	0.3
174.45352	0.3
174.94138	0.3
187.40317	0.2
191.10686	7.4
191.14276	2.1
199.02029	6.0
201.29381	0.3
201.81271	0.3
219.13800	2.8
315.01416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03939	2.8
57.03434	9.4
61.02921	4.9
69.03427	18.1
70.83852	2.5
71.01364	2.6
71.04976	3.3
73.02917	2.7
75.04468	2.9
77.08842	1.1
81.03416	3.3
85.02921	1.3
91.05472	1.2
95.08617	1.6
99.04455	6.7
105.68021	1.0
130.99078	1.4
144.36349	1.1
145.07579	1.9
172.08696	29.3
172.73729	1.4
190.09744	2.6
198.06667	6.9
200.08211	4.3
214.14290	1.7
215.14746	3.3
216.07686	20.1
218.09293	1.4
234.99052	1.4
237.00435	1.2
243.08772	81.7
244.07060	1.4
359.13379	3.6
377.14548	100.0
378.15070	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05479	3.4
58.84926	2.7
61.02923	4.1
67.05510	3.0
68.99773	5.3
69.03415	4.7
69.07043	4.3
70.05916	9.5
72.00734	2.3
79.05480	7.0
81.03413	8.1
81.07043	9.2
85.02893	5.6
86.23745	2.8
87.00819	8.9
91.05468	5.6
93.07043	4.6
95.04946	4.7
95.08597	4.9
97.02888	5.3
99.04491	2.8
100.72397	2.1
105.07018	6.7
107.04966	5.7
107.08554	4.8
115.05448	9.4
117.06970	3.6
119.08551	4.2
121.06530	4.8
123.04440	3.0
128.06197	9.4
129.01831	4.5
129.06982	10.3
130.07767	5.6
131.04918	6.4
131.08582	3.3
133.06506	3.6
137.05963	6.1
141.07024	15.8
143.04906	2.9
143.08543	6.1
144.05687	12.7
145.06482	6.7
145.10095	6.8
147.04324	3.7
147.08096	2.5
148.05197	2.8
152.06148	4.7
153.06964	4.9
155.08588	2.9
157.06465	4.4
158.07265	16.7
159.08086	10.7
160.05214	3.0
161.05989	25.7
161.09581	3.3
162.06827	4.0
165.06920	5.5
166.07825	3.2
167.08591	10.0
168.05647	2.7
169.06482	10.7
170.07281	6.9
171.04468	3.9
171.08063	10.8
172.05168	5.2
173.05942	5.5
173.09619	6.1
174.06747	6.1
175.07559	17.5
177.09074	10.1
181.06467	6.1
183.08035	4.1
184.05322	3.0
184.08800	3.8
185.05930	6.4
185.09639	4.6
186.06764	7.2
187.07523	31.0
187.11186	6.1
188.04695	5.0
188.08168	3.3
189.03860	2.3
189.05505	6.1
189.09123	11.9
191.07031	9.4
195.08035	17.8
197.05977	5.0
197.65585	2.1
198.06621	3.6
199.03923	6.2
199.07568	5.6
201.09094	77.2
201.10966	4.0
202.09460	2.7
203.07027	3.8
203.10623	8.0
211.07639	3.6
212.08336	8.9
213.09074	9.0
214.06206	12.7
215.07071	4.0
215.10649	9.6
215.14336	2.2
217.04964	10.7
217.08514	2.8
223.07674	6.5
225.08981	3.4
227.07230	3.7
227.10626	50.8
229.08614	14.0
231.10175	6.8
232.07314	27.4
243.10077	4.0
245.11778	6.6
255.10170	28.6
273.11191	100.0
274.11597	2.8
291.12259	7.6
377.12277	4.1
377.16754	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	377.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01855	3.7
55.05514	1.4
55.63105	1.2
56.05037	1.5
56.96547	2.4
57.03432	7.6
57.06209	1.1
61.02922	2.5
67.05467	1.2
68.04976	1.0
68.99790	1.2
69.03423	12.5
70.06583	2.2
71.04993	2.7
71.58543	1.9
73.02908	2.7
75.32612	1.2
81.03413	12.8
83.04966	3.9
84.08144	1.9
85.02908	22.4
87.00822	8.4
87.46118	1.2
91.03957	1.8
97.02898	8.5
98.97591	1.4
99.04441	5.2
101.06001	8.0
105.01870	5.8
109.02896	11.1
110.97507	1.4
111.04443	2.8
112.02216	1.2
113.97237	1.3
116.48196	1.2
119.04998	1.3
120.08089	2.2
120.99708	1.2
123.04438	1.9
127.03926	16.9
129.01796	1.4
129.05479	100.0
130.03230	2.4
137.05986	4.7
138.06311	3.0
145.04932	5.5
147.03044	1.1
150.88844	1.2
152.22881	1.2
155.03714	1.7
159.02895	5.0
163.03917	2.0
179.06995	1.2
180.07483	1.5
181.06377	1.4
186.02266	2.7
187.02496	1.9
197.01231	2.1
215.08192	1.5
215.12549	5.2
231.05014	2.4
239.53557	1.2
288.09879	2.1
302.12146	1.5
337.18283	1.2
359.07208	2.0
377.08517	15.2
377.13684	2.9
377.17810	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01863	2.6
55.53563	1.0
56.96548	3.2
57.03426	5.5
61.02912	2.3
68.99778	2.1
69.03435	11.8
70.06589	2.3
71.04967	1.4
71.17348	1.8
73.02898	3.5
76.55846	1.0
81.03417	12.3
83.04969	4.1
85.02900	22.3
87.00828	9.8
87.04485	1.5
88.03959	1.0
91.03995	1.0
91.05481	1.6
93.07036	1.2
95.04949	1.5
97.02896	9.5
99.04452	5.0
101.06007	6.6
105.01857	6.6
109.02877	12.0
111.04480	2.1
116.98630	1.0
117.01915	1.2
120.08073	1.2
123.04420	3.7
127.03905	17.6
129.05475	100.0
129.20319	1.0
130.05806	2.4
130.44156	0.9
131.04910	2.5
135.04445	1.2
136.07552	1.0
137.05948	3.6
138.06323	1.4
138.46956	0.9
145.04961	4.5
147.02878	1.9
151.07477	1.5
159.02866	6.6
163.03859	2.0
165.06978	1.0
167.06982	1.0
181.06439	1.3
181.08403	1.1
183.08011	1.6
186.02240	1.3
187.02611	2.0
195.59138	1.1
197.01212	1.9
209.01204	1.1
214.08562	1.5
215.05354	1.6
215.08054	1.4
227.06970	1.6
231.05019	2.7
234.74667	1.0
237.00739	1.5
243.10214	1.2
244.16017	1.3
245.04433	2.2
247.06108	1.2
273.03857	1.0
288.09964	4.0
290.70749	1.0
302.11594	4.6
303.12296	1.5
339.39532	1.0
377.08270	6.9
377.13327	5.1
377.17813	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	377.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	6.9
69.52707	6.3
72.31232	0.7
84.04507	68.2
84.08129	2.7
85.02908	9.5
85.04844	0.9
89.03887	0.8
94.94144	0.8
98.97580	1.4
102.05543	82.6
110.94904	0.7
116.98644	0.9
123.05546	1.0
130.05008	6.4
135.04388	0.8
141.18547	0.9
142.03064	0.9
146.02107	8.7
148.06056	1.5
163.03918	3.5
174.01624	100.0
175.01877	2.4
176.03188	0.8
183.03670	1.2
185.02109	1.6
187.36620	0.8
203.04251	12.3
215.05257	2.9
221.05267	1.6
230.05373	1.9
231.03780	8.6
359.07086	0.8
377.10461	27.5
378.08670	1.0
380.42172	0.8
403.45859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83722	1.4
55.05507	1.9
59.44872	1.0
67.05495	1.1
69.03415	1.5
70.06591	1.8
71.05455	2.7
71.78452	1.0
72.08167	1.5
79.05482	1.6
81.03428	1.3
81.07037	1.5
85.02898	1.9
86.09725	1.2
91.05501	1.4
97.02906	1.1
105.07065	1.2
107.08579	1.2
109.06551	1.2
117.03390	1.7
130.06506	2.5
131.08524	1.7
132.95801	1.6
135.04402	2.7
137.06046	2.2
145.02762	2.1
147.04327	1.2
149.05983	1.2
150.96838	2.0
157.07622	4.0
163.03888	9.5
176.98410	1.2
179.03220	1.8
185.02083	4.3
197.04247	3.5
203.03172	2.6
204.97656	1.3
215.05240	12.6
227.06953	1.3
234.99055	2.4
277.12540	1.1
288.09909	6.6
302.11404	1.6
303.90518	1.3
330.70087	1.1
331.07886	2.1
349.56308	1.2
351.30807	1.2
359.07346	16.2
359.16885	1.4
377.08441	100.0
377.17773	11.9
378.08939	2.4
392.73688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12360	0.2
57.07078	42.1
58.07403	0.2
67.05510	0.2
68.28089	0.2
69.07056	0.2
70.14334	1.0
76.49468	0.2
84.08180	0.2
102.09204	0.5
108.04482	0.7
124.08702	0.7
125.07119	5.2
126.05518	4.4
126.06384	0.3
127.03925	0.3
134.07179	0.5
135.05585	0.3
176.09505	0.4
191.11806	1.3
192.10120	0.4
208.14473	2.3
209.12862	12.1
210.11293	1.4
210.13110	0.4
213.41785	0.2
218.12877	4.7
219.11252	3.0
219.13123	0.3
228.11526	0.3
245.12946	0.3
260.15234	1.2
274.19113	0.6
275.17532	8.2
276.18073	0.3
292.20200	8.9
293.18542	6.6
294.18793	0.4
302.18643	15.7
303.18979	0.7
308.10556	0.6
358.24789	1.4
376.25943	100.0
377.19135	0.2
377.26321	3.8
394.27023	6.4
395.27319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2481
Annotation	Tuberostemonine J
Peak:m/z	Relative Intensity
55.05493	0.7
56.96563	0.5
62.39284	0.4
67.05503	0.7
69.03419	0.7
69.07063	0.6
70.17474	1.9
73.69830	0.4
79.05486	0.9
81.07056	1.2
85.02943	0.4
87.04469	17.1
91.05487	1.2
93.07018	0.8
98.20821	0.7
105.07028	0.8
106.06540	3.3
107.07371	0.6
107.08575	0.6
107.85954	0.5
109.02847	0.5
109.99012	0.4
117.05769	1.0
117.06968	0.5
118.06539	7.6
119.08543	0.6
120.08054	0.5
121.06498	0.6
129.06993	0.5
130.06557	1.0
131.07314	4.1
132.08075	3.1
133.06451	0.5
133.08884	1.0
134.09660	1.3
141.01466	10.0
144.08121	0.4
145.10121	0.8
146.09647	5.4
147.08034	0.5
148.11317	0.6
149.05977	0.7
149.09633	0.5
152.08052	0.5
160.11198	5.2
163.11180	0.5
164.30573	0.4
172.11227	0.7
173.09602	0.7
174.12817	0.7
202.65773	0.5
204.10138	0.6
218.11719	0.8
219.13834	1.4
232.13356	1.3
244.20618	5.3
255.06448	1.1
272.20087	42.8
273.20435	1.9
290.21152	12.5
376.24829	100.0
377.25137	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
56.96560	1.4
57.03429	3.1
58.83078	0.9
61.02914	2.5
68.46862	0.9
69.03428	7.7
70.06584	1.7
71.04994	1.2
71.59228	1.5
72.08157	0.9
73.02901	1.2
79.05488	1.0
81.03410	3.9
83.04998	1.0
84.04501	1.8
85.02899	25.7
86.09712	1.9
87.30486	1.0
91.03982	1.4
95.04986	1.2
97.02894	7.5
100.71450	0.8
101.05984	1.7
109.02874	3.7
111.04454	0.9
120.21828	0.8
123.04441	1.5
127.03931	4.4
129.05481	11.0
130.04968	1.4
137.05974	100.0
139.34744	0.9
145.04968	5.6
151.07536	1.3
163.03905	1.0
166.91118	0.9
179.05470	1.6
179.07037	30.9
180.08662	1.2
186.02193	13.9
197.08078	3.5
203.07030	1.2
208.09732	1.3
214.01683	2.3
232.02846	1.3
247.11105	1.3
250.14407	1.6
313.81989	0.9
325.99664	0.8
330.06573	1.5
332.13959	0.9
358.06012	1.3
369.07144	0.9
376.07202	2.5
376.12814	1.6
377.08444	1.5
377.17920	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	376.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78629	0.4
54.26509	0.4
56.05035	4.0
56.96568	1.0
57.07067	0.9
57.80448	0.4
67.05502	3.8
69.03422	1.0
70.06582	1.0
70.72426	0.6
70.72769	1.4
72.89362	0.5
74.02440	2.2
81.03421	0.5
84.04505	2.9
84.08142	100.0
85.02895	1.4
85.06545	6.9
85.08463	1.2
86.09678	1.7
89.03914	0.7
95.04987	1.1
97.02881	0.6
102.05554	1.5
102.09174	1.1
111.09171	0.6
112.07574	1.4
114.09135	0.6
116.98610	0.6
123.04546	0.8
127.03922	1.3
129.10233	9.1
130.08636	17.7
134.99612	0.6
135.04390	0.6
138.05591	0.6
140.06544	0.5
146.02145	2.9
147.11279	0.5
148.03728	0.8
157.09749	1.8
163.03874	2.4
174.01620	30.3
176.03171	0.9
186.02216	3.0
196.06085	0.8
203.04263	3.5
214.01718	0.7
214.07117	1.5
221.05341	0.7
230.05370	1.3
247.08194	1.1
250.51210	0.4
257.92575	0.5
313.12628	1.0
331.13641	3.4
359.13245	26.5
360.13574	0.7
376.15915	35.9
377.08316	7.7
377.16144	0.9
398.07330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	12.9
57.30595	1.0
68.32479	1.0
69.03436	1.2
69.85014	5.9
71.88966	1.0
72.08153	1.6
84.08149	2.7
84.96056	5.3
85.02906	1.7
86.09712	1.6
93.53657	1.1
97.02896	2.5
98.20785	1.2
98.97586	17.7
102.97066	1.2
108.08136	1.1
109.90860	1.2
110.97567	8.7
112.99148	2.2
116.07115	3.8
116.98614	12.6
119.01873	1.1
121.06493	4.8
128.98599	15.8
131.00171	3.4
134.99670	5.2
138.09149	2.3
140.00206	5.7
143.00154	2.1
144.98085	1.9
146.99623	10.7
149.01213	1.7
154.01730	7.7
158.01254	6.6
158.99696	2.4
161.01241	3.2
162.99219	1.2
163.51619	1.1
170.99655	1.5
172.02812	24.6
174.01721	1.5
176.02293	1.8
177.00706	3.3
188.02261	2.7
189.00729	1.9
190.03883	44.4
191.02292	2.2
196.02847	2.7
196.09706	1.3
200.02246	2.5
202.03856	3.5
208.04926	17.6
214.03862	16.9
218.03432	1.9
219.01772	10.6
220.04970	1.3
226.03813	1.5
232.02644	2.0
232.04944	39.1
237.02820	28.2
244.04915	3.9
250.05969	8.7
255.03926	2.5
255.06596	2.6
256.04871	4.3
260.04376	2.2
268.04886	1.6
274.06003	4.0
295.07245	2.0
316.07037	68.7
334.08078	100.0
335.06424	1.8
357.09717	6.5
376.09119	3.1
376.15762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03939	7.6
55.01865	7.8
55.05506	22.8
57.03427	7.3
57.07093	3.4
59.05002	5.1
61.02917	10.2
67.05495	15.2
69.03429	37.3
69.07063	44.2
69.65055	20.8
71.04992	12.1
73.02905	6.3
79.05495	11.2
81.03415	19.0
81.07053	42.5
81.66210	2.2
83.04992	10.7
83.08612	9.8
85.02445	3.1
85.02905	85.8
85.06541	25.8
87.04478	5.9
91.03963	5.5
91.05479	7.5
93.07048	24.7
95.04942	4.9
95.08609	62.4
97.02893	29.7
97.06539	8.4
97.10161	13.2
99.04470	6.7
99.08096	25.7
105.07032	11.7
107.04952	6.6
107.08588	33.2
109.02890	11.8
109.10163	26.0
111.08113	8.7
111.11730	7.1
113.09635	8.5
117.06990	4.1
119.08569	5.3
121.10154	42.5
123.04411	3.8
123.08111	2.8
123.11662	13.1
125.09624	10.7
127.03930	24.7
133.10054	4.3
135.11682	24.1
137.05959	6.9
137.09665	3.0
137.13240	22.4
139.11200	10.0
145.04971	12.8
147.04407	4.9
147.11690	5.1
149.13278	10.0
151.14777	6.5
153.12753	15.5
163.03909	3.4
165.09053	3.5
167.07066	7.2
177.14803	5.4
177.16382	100.0
181.25955	2.7
186.02190	4.6
195.17442	42.5
195.84538	2.9
213.18486	29.6
321.24457	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1265
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.01848	1.0
57.03423	1.1
62.71609	1.0
67.05474	1.1
69.03413	4.5
70.06592	2.3
71.59040	1.4
72.08135	1.5
73.02895	2.4
81.03406	2.6
81.07025	1.5
84.04485	1.7
85.02898	5.1
86.09706	8.3
87.10018	1.8
91.05461	2.0
96.04476	2.7
97.02888	2.5
121.06477	1.7
122.05998	3.1
123.04410	1.7
127.03910	2.4
127.07322	3.0
129.10172	1.1
135.64844	1.1
137.05966	10.1
141.82722	1.1
147.04410	2.5
149.05960	3.0
150.05501	1.9
153.05481	1.3
155.72087	1.2
161.02956	2.4
161.05974	2.2
163.03918	1.7
167.07016	4.0
170.05991	2.5
170.93852	1.2
177.05453	4.4
178.05753	2.0
179.06946	1.6
186.02171	4.1
213.07356	2.4
213.11124	3.1
214.01678	1.1
224.71515	0.9
227.05133	1.6
237.08730	1.4
247.69728	1.1
273.11185	1.6
289.12598	11.0
313.12585	2.1
331.13623	61.9
332.13928	1.3
357.05762	3.0
375.07483	4.5
375.12552	100.0
376.12772	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	44.8
57.03442	18.7
67.05508	60.3
69.07057	29.2
69.58398	16.6
70.44851	45.6
71.04986	100.0
79.05490	50.9
81.07047	79.8
83.70837	13.8
88.80302	17.8
91.05438	20.0
92.05029	15.6
93.07043	48.7
95.08598	35.4
95.77874	13.5
97.06528	13.6
98.80764	16.0
101.06035	19.7
105.07079	16.4
107.08582	55.1
109.10152	26.6
119.08594	30.2
120.04452	30.2
121.10182	20.4
135.03185	20.2
150.05429	19.8
159.11688	22.6
173.11720	25.0
177.12747	28.2
180.06677	17.3
187.13249	22.1
188.49461	17.7
241.18056	50.9
268.30042	16.9
280.72391	19.4
300.29080	22.5
351.14746	62.1
352.14462	21.7
369.15854	46.8
374.32312	22.1
374.36700	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	374.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
55.05508	25.6
57.07073	11.4
67.05502	34.1
69.07052	6.7
69.11077	2.3
69.63851	15.0
70.06590	15.5
71.08633	4.3
73.02906	2.5
79.05488	10.0
81.03427	5.4
81.07047	12.4
82.03719	2.4
83.04977	4.0
83.08620	12.2
85.02909	7.3
87.04436	2.6
88.07635	27.4
91.05478	7.0
93.07072	4.2
95.08603	3.5
97.02895	2.9
97.06558	2.9
97.10176	15.1
102.09177	15.1
105.07008	2.7
107.08596	7.1
109.10153	24.8
115.15394	2.4
119.08588	2.6
125.09626	14.6
134.39635	2.2
135.11621	3.1
144.17450	2.0
145.10089	3.7
146.57629	2.0
149.67781	2.4
163.11151	6.2
173.11752	20.6
187.13222	3.8
209.11761	3.8
213.68607	2.3
224.16643	2.1
241.99965	2.4
312.32593	43.4
356.35083	3.5
374.36270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90276	1.1
53.03930	2.8
55.01861	4.0
57.03428	2.4
57.31626	1.0
61.02924	2.1
64.74752	0.9
64.75140	0.9
65.03929	1.7
68.99786	1.4
69.03075	1.3
69.03429	14.4
69.78416	1.0
70.02483	5.9
71.04991	2.2
73.02916	2.6
81.03428	11.6
85.02904	44.7
86.09702	3.0
87.00831	18.2
91.05480	100.0
92.05833	1.2
95.91148	0.9
97.02891	14.2
98.21447	1.3
99.04449	6.5
99.45325	1.1
105.01865	26.8
105.07018	1.6
108.04485	1.8
109.02879	12.4
115.22389	1.1
117.07069	1.4
126.05486	1.3
127.02975	1.5
127.03918	31.1
129.01859	2.4
133.06422	1.1
145.04958	15.9
145.06279	1.4
147.02937	1.6
159.02899	7.0
177.03777	1.1
189.03915	1.4
199.07607	2.1
213.03775	1.2
215.13893	1.7
231.04985	9.5
249.05960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01865	2.8
55.05502	2.6
56.21603	1.4
56.96555	2.0
57.03442	4.0
65.03938	2.2
67.05505	6.0
69.03430	28.1
69.07067	2.8
69.40332	1.6
69.96022	1.7
70.06578	2.5
71.04997	4.6
72.27506	1.6
79.05501	3.1
81.03416	16.0
81.07054	7.5
83.04955	2.9
83.08623	1.6
84.04507	3.4
84.08154	3.4
85.02898	21.6
85.06544	4.6
86.09714	11.2
87.00842	11.9
87.04491	1.9
91.05476	100.0
91.97996	1.7
93.07035	2.8
94.06585	2.5
95.04967	4.7
95.08607	3.9
97.02886	35.8
97.81310	1.7
98.21536	3.4
98.97591	2.5
99.04447	13.5
105.01857	11.9
105.07024	5.6
105.82852	1.7
107.04932	2.5
107.08604	3.5
108.59717	1.6
109.02915	4.1
109.06485	4.1
109.10167	5.7
110.09752	1.5
116.98589	2.8
119.04945	3.2
121.06484	2.0
122.06020	3.5
123.04429	19.7
123.06343	3.1
125.09634	15.0
127.03912	33.7
131.04936	2.2
132.10176	4.2
133.06467	1.8
134.99619	2.4
137.05925	3.7
145.04958	19.7
145.06100	1.9
145.06516	1.8
147.04408	3.2
148.11168	2.2
149.05943	2.6
163.03864	2.8
175.03923	2.2
175.11264	1.8
177.00739	2.8
177.05426	8.6
184.00609	2.3
189.05469	2.7
191.07175	1.8
201.05507	4.5
202.05865	2.3
205.04990	4.3
211.13167	2.9
215.13881	2.9
217.05043	4.8
231.04990	12.8
234.07614	5.7
235.13232	2.6
249.06058	5.4
306.09424	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
61.02905	2.6
62.42756	1.0
66.37180	1.2
69.03417	6.3
69.07071	1.5
70.07415	1.2
71.48382	2.6
81.03431	1.7
83.37370	1.0
84.04522	1.7
85.02902	16.4
87.04499	1.2
89.03920	7.0
91.05476	2.4
92.69036	1.0
97.02879	4.9
99.04443	1.7
105.07058	1.1
113.79312	1.1
117.03377	15.5
119.83702	1.5
127.03917	2.5
134.03618	2.0
135.04433	5.4
142.22499	1.4
145.02838	40.6
145.04900	2.5
149.05962	7.3
152.07127	1.4
163.03882	11.5
170.75034	1.1
177.05466	100.0
178.05797	3.2
184.00693	2.4
186.05508	1.8
195.06532	38.9
237.00668	2.7
357.05801	3.0
375.06918	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	373.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01871	7.6
55.05516	16.1
57.03420	3.4
65.03959	4.0
67.05507	21.3
69.03425	7.2
69.07066	19.5
70.06590	3.6
70.11927	5.9
70.12341	8.0
71.05026	6.4
79.05486	18.5
81.03410	12.0
81.07059	38.7
83.04970	8.6
83.08636	6.9
85.02904	10.6
85.06539	8.2
91.05441	14.9
93.07050	19.4
95.04962	31.0
95.08605	28.8
97.02900	6.8
97.06516	7.0
97.10151	7.8
99.04453	5.5
105.07034	12.4
107.04943	16.1
107.07928	2.3
107.08578	15.3
109.02900	13.1
109.06512	24.4
109.10152	23.5
111.04440	3.7
111.08086	7.8
111.11691	2.6
113.05979	3.1
117.07053	4.3
119.04939	12.0
119.08589	19.9
121.06525	7.5
121.10139	19.8
123.04430	50.8
123.11715	10.8
125.06045	4.5
127.03937	9.4
129.07021	3.2
130.06544	3.6
131.04916	4.3
131.08569	7.1
133.06506	4.5
133.10139	9.5
135.04402	3.9
135.08022	11.1
135.11697	8.2
137.05963	11.3
137.09650	6.9
139.03922	7.4
139.11212	7.6
145.10141	10.3
147.04417	31.9
147.08134	4.2
147.11688	4.8
149.13376	2.9
151.03896	100.0
151.11200	6.6
152.04279	5.4
153.05502	8.1
159.08081	3.7
159.11678	5.6
161.05925	3.9
163.11237	4.0
165.05431	17.9
165.09169	8.6
167.07043	18.9
173.05984	5.0
173.11899	3.4
175.07597	4.9
175.11250	4.2
175.14824	2.8
177.05530	2.9
181.05000	5.4
187.07588	3.3
193.05032	5.8
201.05501	6.7
207.06561	2.8
217.08583	3.0
221.11748	51.1
239.07202	3.3
273.22125	2.7
291.23325	3.8
301.21747	6.2
303.08636	41.7
304.08960	7.6
310.23776	3.1
313.11548	7.5
319.22699	9.3
323.09106	3.5
324.14453	3.1
355.11505	3.7
373.13690	14.7
373.18265	82.2
374.18771	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	373.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28962	5.7
52.57481	6.2
53.03936	9.3
55.01869	8.2
55.05513	36.4
65.03928	10.7
67.05504	57.4
68.99758	6.5
69.03419	22.8
69.07075	50.2
70.06552	13.5
70.84878	19.6
71.04985	11.0
75.72662	5.8
79.05500	35.6
81.03416	37.4
81.07055	100.0
83.04974	24.5
83.08601	12.5
85.02906	15.9
85.06534	18.1
86.09695	11.0
91.05428	35.2
93.07038	73.2
95.04970	83.0
95.08604	83.8
97.02887	9.2
97.06505	19.4
97.10151	27.1
99.04438	12.9
103.03939	7.7
103.05479	5.9
105.07023	40.8
107.04955	21.4
107.08588	48.7
109.02875	18.4
109.06522	71.7
109.10143	44.3
111.04465	6.6
111.08087	16.4
115.05449	7.3
117.07011	11.0
119.08580	56.8
121.06480	14.4
121.10143	39.5
123.04450	41.4
123.11700	28.3
125.05907	9.3
125.09653	9.5
127.03905	23.4
129.07004	10.8
131.08554	12.1
133.06462	9.4
133.10115	18.1
135.08020	32.7
135.11708	19.1
137.05980	30.1
137.09607	21.8
139.11183	19.7
143.08525	10.1
144.86729	6.7
145.10133	27.9
147.04398	20.3
147.08118	8.1
147.11615	11.0
148.04608	6.2
149.09648	9.4
149.13290	8.4
151.03923	50.7
152.04277	8.3
153.12781	13.6
157.10117	11.9
157.12257	7.7
159.11661	16.0
161.09659	7.4
161.13194	11.4
163.11102	8.3
165.05522	15.9
165.09042	12.3
167.07100	36.5
175.07541	7.8
175.11084	7.8
177.05505	8.8
179.10699	7.5
193.04802	7.3
193.12241	10.5
201.05429	11.3
201.16515	7.2
202.05775	6.9
221.11610	21.9
277.08212	7.6
291.23059	9.0
301.21609	13.1
313.10910	10.7
319.22781	32.1
325.10443	8.8
337.23584	8.2
343.11526	7.6
355.11862	11.9
373.13229	23.5
373.18356	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01866	6.2
55.05500	9.4
56.96560	4.9
57.03438	2.3
61.02928	2.7
65.03938	4.4
67.05510	24.7
69.02979	1.9
69.03429	7.1
69.07057	8.5
69.50502	4.5
69.50906	11.9
70.00889	2.1
71.04984	3.9
79.05492	31.0
81.03406	6.8
81.07053	39.2
83.04987	2.1
83.08617	6.2
85.02916	7.3
85.35233	2.1
89.83341	2.3
91.05476	36.0
93.07045	41.2
94.04169	2.4
95.04952	13.8
95.08602	25.1
95.47033	1.9
97.02892	2.4
97.06543	6.6
97.10148	2.8
97.16151	2.0
103.05505	4.3
105.07025	44.2
105.07680	3.4
107.04952	100.0
107.08588	31.3
108.05264	3.3
109.02890	2.2
109.06521	15.6
109.10152	10.8
111.04433	7.0
111.08096	3.1
115.05433	4.6
117.07024	13.6
118.04166	4.5
119.04947	7.7
119.08575	26.5
121.06506	6.7
121.10148	20.3
123.04433	5.2
123.08024	2.5
125.05984	45.8
125.09609	3.6
127.03938	3.0
128.06175	2.8
129.06982	10.4
129.34662	2.1
131.04951	3.8
131.08560	24.4
133.06499	16.2
133.10110	22.4
135.04364	2.5
135.08044	7.2
135.11696	9.5
137.05969	14.6
137.09558	3.2
139.03932	7.6
141.06958	4.4
141.37645	2.1
142.07800	2.4
143.08553	13.2
145.06494	4.0
145.10112	22.6
147.04401	12.1
147.08057	4.8
147.11667	19.2
147.53761	2.5
149.05951	7.6
149.13258	4.7
151.03917	7.5
153.05457	40.9
155.07034	18.7
155.08542	8.3
157.10112	16.3
159.08115	5.2
159.11688	32.9
161.05983	7.1
161.09628	4.8
161.13257	11.8
163.03967	2.7
163.07619	2.8
165.05473	3.4
165.06981	2.5
165.09174	5.0
167.07053	10.0
167.08534	4.8
168.09268	2.2
169.10144	8.7
171.08112	2.9
171.11699	11.0
173.06041	2.3
173.09590	3.7
173.13284	6.3
175.07558	2.3
175.14812	11.4
177.05528	4.9
177.09158	4.4
179.03429	4.4
179.07042	6.4
179.08472	3.4
181.08678	3.1
181.10071	4.6
182.10841	3.1
183.08081	2.1
183.11720	10.5
185.13272	10.5
187.07468	2.5
187.14845	8.6
189.09090	7.9
189.16354	5.6
191.06976	5.5
191.10684	2.9
193.08595	24.0
193.10135	4.3
193.12216	2.9
195.11734	7.0
197.13255	6.2
199.14815	9.6
201.05443	4.0
201.16370	18.5
203.17981	3.8
207.11745	5.4
209.09621	3.0
209.13268	5.3
211.14793	4.8
213.09003	2.8
213.16454	2.7
215.17995	7.1
217.12344	3.3
219.06540	3.0
219.10065	2.7
221.13316	6.1
223.14940	2.4
225.16374	3.5
227.06987	2.4
227.10574	4.1
229.12238	4.5
231.06392	2.4
233.11549	2.3
235.07481	2.1
235.14853	7.3
237.12657	2.9
237.16486	3.1
241.12311	2.6
243.13873	2.8
245.11322	3.0
247.13396	2.6
249.11172	4.6
251.07063	2.4
253.19609	2.8
255.13834	3.6
259.08698	3.8
267.09561	3.5
267.12265	21.1
267.16171	2.0
277.19537	8.6
281.15323	3.8
285.07413	2.8
285.10168	6.1
291.21002	10.4
295.09686	4.2
309.22052	6.2
313.10641	3.5
319.20541	10.0
337.21552	41.0
338.21790	2.8
355.11758	5.8
355.15750	3.2
355.22650	53.1
356.22968	2.4
373.12531	4.1
373.16611	19.2
373.23700	17.8
373.28168	2.8
374.23361	3.4
384.65717	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
53.72969	0.6
54.27385	0.6
55.05492	2.2
57.03433	0.7
64.61039	0.7
67.05518	3.1
69.03415	2.8
69.07046	2.5
71.05006	0.9
71.59021	0.7
71.59454	0.9
72.08147	0.8
78.75231	0.6
79.05476	2.2
81.03408	1.5
81.07068	4.1
83.04977	1.5
83.08643	0.7
84.53636	0.6
85.02897	1.5
85.06523	1.1
87.00807	0.6
89.54188	0.6
90.30323	0.8
91.05473	1.9
93.07034	2.9
95.04968	3.1
95.08601	3.2
97.02864	1.4
97.06502	0.7
97.10144	1.0
99.04433	0.9
99.08107	0.7
103.05490	0.7
105.07037	2.3
107.04964	2.1
107.08598	2.3
109.02838	1.1
109.06513	1.8
109.10140	1.9
111.04410	0.7
115.05451	0.9
117.07021	0.8
119.04937	0.7
119.08579	2.1
121.10145	2.5
123.04389	2.1
123.08013	1.0
123.11685	1.3
125.05962	0.7
125.09681	0.7
127.03901	0.9
131.08557	1.0
133.06520	0.9
133.10126	1.5
135.08076	1.0
135.11674	1.7
137.06003	3.9
137.09615	1.3
139.11136	0.7
145.10170	0.7
147.04378	1.7
151.03976	3.3
153.05435	1.0
153.12776	1.1
159.11589	0.7
161.02341	1.0
161.05988	1.1
165.05461	0.8
165.09140	0.6
165.12794	0.9
167.03357	0.7
167.07057	3.8
175.07607	0.7
177.05481	1.5
181.04968	1.3
189.09276	0.7
193.08658	1.0
193.15915	0.8
195.08084	0.6
201.05510	2.1
205.10541	0.7
205.65067	0.8
207.06548	0.7
221.11780	1.6
223.07539	0.7
224.08342	0.8
235.07666	0.9
253.08698	0.8
295.09726	0.8
298.34125	0.7
301.21753	0.8
313.10739	1.6
319.22668	0.8
325.10834	1.0
327.12411	0.9
341.10107	1.3
341.15634	1.2
355.11679	0.9
373.18332	100.0
374.18686	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01857	2.4
55.05502	1.3
65.03930	1.8
67.05502	3.4
68.99792	1.2
69.03423	1.8
70.36346	2.5
79.05478	2.8
81.03425	3.8
81.07069	3.5
83.04977	1.1
83.08632	1.4
85.02898	0.9
91.05472	3.8
93.07005	1.3
95.04977	5.2
95.08593	1.6
97.02883	1.1
99.04453	1.2
105.03381	1.6
105.07016	2.7
107.04954	5.4
107.08549	1.3
109.02880	3.5
109.06525	0.8
109.10143	1.1
111.04438	1.1
115.05439	0.9
119.04925	6.0
119.08559	1.1
121.02931	0.7
121.06552	0.9
121.10150	1.2
123.04427	39.8
123.08051	0.7
124.04823	0.7
125.09602	0.8
127.03941	4.6
131.04953	0.8
133.06496	2.3
133.10135	0.6
135.04398	3.1
137.02357	1.4
137.05972	5.5
139.03911	9.1
143.04903	0.9
147.04413	22.5
147.11687	1.6
151.03905	100.0
152.04207	1.7
153.05452	4.9
159.87230	0.7
161.06001	3.9
163.03986	3.0
165.05481	12.8
165.06877	0.9
167.07021	2.5
169.04964	0.6
173.06004	2.4
175.03999	0.8
175.07484	1.2
177.05434	1.0
179.06970	1.3
181.04970	3.9
181.06349	0.7
187.07664	1.0
189.05626	0.7
193.04941	2.8
196.42815	0.6
201.05486	1.7
203.07069	0.7
203.10754	1.0
207.06477	1.5
215.07014	0.8
217.08542	1.2
221.11732	57.7
222.12065	1.1
231.10602	0.6
233.11584	0.8
239.07117	0.9
251.12779	1.6
257.08231	0.7
273.07455	0.9
285.07599	9.5
303.08624	37.4
313.10620	1.2
345.13489	1.0
366.90186	0.7
373.12448	1.5
373.16492	2.7
376.09393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96334	1.9
55.01883	2.2
55.05507	4.6
57.03421	2.0
61.06386	1.8
64.80389	1.8
65.03928	2.1
67.05500	6.8
69.03432	4.1
69.07082	4.0
70.01570	1.7
71.59449	3.7
79.05461	4.9
80.34368	2.0
81.03427	4.4
81.07047	6.4
83.04948	2.1
85.02906	3.3
91.05472	7.7
93.07041	7.6
95.04960	7.8
95.08597	6.0
97.06516	2.9
97.10178	2.2
99.04484	2.9
105.07028	5.5
107.04961	6.3
107.08598	4.2
107.67876	1.8
109.02894	4.0
109.06504	2.7
109.10162	5.8
119.04945	14.6
119.08581	4.4
121.10137	3.7
123.04429	64.2
123.11687	2.5
127.03885	4.9
131.08591	2.0
133.06476	2.3
133.10159	2.5
134.24994	2.0
135.11699	2.4
137.05960	8.0
137.09703	2.0
139.03918	12.7
143.04805	2.3
145.05168	2.0
145.06377	2.4
147.04410	37.3
151.03905	100.0
153.05464	6.2
157.56126	2.0
161.05978	5.0
163.03911	5.5
163.07686	2.1
165.05470	17.3
167.07001	6.3
167.26564	2.0
169.68428	2.1
173.05992	5.5
175.07466	3.1
181.05017	9.8
181.06430	3.3
193.04889	4.9
201.05490	4.9
215.07076	2.5
217.08554	2.3
221.11749	41.1
264.08182	2.4
276.19382	2.8
285.07596	7.3
285.10367	2.2
303.08652	63.4
307.84753	2.0
313.10770	3.1
355.11847	3.5
373.12424	3.9
373.16263	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	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01869	1.1
56.45590	0.5
56.80013	0.5
57.03435	1.8
61.02926	1.7
69.03428	5.5
71.05009	0.7
71.22867	0.7
71.23207	1.1
72.04505	0.9
73.02897	0.7
73.04774	0.9
74.06069	0.7
81.03413	2.9
85.02901	15.8
85.11666	0.5
85.74004	0.5
87.02888	0.7
87.04445	1.3
91.03977	0.8
91.05399	1.0
91.05814	1.6
97.02886	5.5
99.04452	0.6
103.05424	2.9
105.07027	4.9
107.04969	1.0
109.02883	0.9
117.05731	0.7
117.07014	1.6
118.06534	2.0
119.07314	3.9
120.08107	4.6
123.04402	0.5
124.07578	1.8
127.03908	3.0
129.07002	3.6
131.04913	1.5
131.07294	0.9
141.47177	0.5
145.05019	1.8
146.09644	5.0
161.03470	1.3
163.03941	0.8
164.10709	100.0
165.11047	2.2
176.04539	1.7
192.10188	1.2
208.07167	1.2
210.11241	83.9
211.11630	2.0
234.10957	0.6
264.94885	0.5
282.79800	0.6
348.42648	0.6
354.69891	0.6
356.07037	0.9
372.12494	0.9
372.16452	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04464	2.0
53.03937	3.6
55.01873	6.6
55.05508	12.5
56.96546	2.5
57.03431	6.1
57.07071	4.9
59.04988	2.8
59.05497	2.2
61.02901	2.7
65.03919	2.6
67.05503	11.1
69.03426	28.7
69.07071	37.4
70.06596	4.4
71.04982	6.7
71.59148	3.6
72.08151	5.1
73.02915	2.8
73.04749	3.8
79.05489	11.7
81.03424	11.7
81.04541	2.7
81.07043	14.0
82.45511	2.2
83.04981	31.2
83.08629	5.4
84.08100	3.3
85.02904	31.4
87.04463	5.1
89.06032	100.0
91.05784	20.0
93.07056	12.9
95.04958	9.3
95.08602	18.8
97.02893	9.6
97.06522	13.2
99.04440	9.8
101.06041	2.4
105.07014	10.3
107.04939	6.8
107.07048	6.4
107.08607	33.6
109.02875	10.6
109.06525	7.3
109.10140	10.8
111.04436	5.2
111.08070	5.8
114.45822	2.4
119.04971	4.3
119.08549	12.3
121.06490	3.4
121.10131	25.1
122.06007	3.7
123.04441	20.2
123.08091	2.5
124.07600	3.6
125.06007	2.9
127.03931	18.5
127.11212	5.5
129.05470	2.8
131.08600	4.6
133.06468	4.1
133.08606	47.1
133.09563	2.6
133.10152	10.5
135.04404	3.6
135.08066	8.7
135.11668	24.5
137.05974	7.4
137.09595	4.5
137.13242	14.9
138.05498	3.9
139.03899	24.5
139.11180	4.0
145.04985	6.1
145.10115	3.7
146.06000	4.4
147.04402	8.4
147.06479	3.2
147.11697	5.9
149.09593	6.8
149.13278	5.5
151.03911	6.8
151.11185	2.9
153.05493	2.5
153.09117	5.5
161.05925	4.2
162.05508	3.4
163.03925	11.0
163.07538	3.6
163.11172	3.5
163.14850	20.0
164.07101	13.1
165.05421	3.2
167.06995	11.4
173.13228	11.5
177.05453	4.2
177.11259	6.4
178.05029	5.9
180.06570	20.1
181.03413	2.7
181.12384	3.4
181.15895	6.0
186.05556	2.5
188.06987	2.7
189.05244	2.7
191.14331	27.9
193.07231	3.9
199.04611	2.3
209.07913	2.4
209.15332	19.9
219.07953	4.6
219.10138	4.5
233.09387	3.6
251.16457	2.8
268.97842	7.9
285.00912	6.9
313.09436	3.9
331.10422	5.6
353.71375	2.9
355.07092	5.0
371.12299	16.9
371.16702	30.8
371.21664	6.6
372.13025	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27362	1.4
53.03933	2.9
53.34589	1.3
55.01860	2.1
55.05505	2.8
60.25845	1.4
65.03909	1.8
67.05499	4.2
69.03413	4.3
70.06571	2.5
71.14433	3.7
72.08143	3.1
78.04705	3.5
79.05495	9.9
81.03420	5.6
81.07058	6.1
83.04982	2.3
83.08599	1.7
85.02891	4.1
86.09682	1.7
91.05384	3.7
91.05803	9.0
93.07031	4.3
95.04970	4.6
95.08598	3.0
97.02883	1.9
97.06498	1.5
101.06051	2.3
103.05473	4.5
104.06245	1.8
105.07040	9.0
106.04117	1.7
107.04958	17.8
107.08605	3.6
109.02855	2.8
111.08085	3.4
115.05450	4.8
117.06995	4.1
119.04971	2.4
119.08582	4.1
121.06520	1.6
121.10134	3.5
122.03736	1.6
123.04410	9.7
123.08083	2.0
124.03951	5.3
124.05196	3.0
125.04302	3.4
125.06001	2.8
127.03937	2.1
128.06252	4.3
129.05522	2.5
129.07001	9.4
131.04881	3.4
131.08594	1.7
132.05676	4.7
133.06496	6.1
133.10172	1.6
135.04366	2.5
137.05957	5.8
144.05620	2.2
145.06500	2.8
146.03564	1.5
147.04408	2.6
147.08054	6.4
151.03795	2.5
152.04718	1.8
153.05463	3.0
153.07191	1.8
156.05647	1.5
157.06380	1.6
159.08060	4.5
160.05170	3.3
161.05972	9.6
163.07533	1.9
163.11189	3.0
165.05441	3.5
167.07033	100.0
168.07326	1.9
171.08092	1.9
172.05255	1.9
175.07565	30.9
177.05476	4.1
178.07840	2.2
181.12274	2.7
187.07527	14.6
189.05498	2.8
189.07101	2.4
189.09102	3.4
191.07063	5.4
191.14351	2.1
199.07516	8.1
202.07861	1.8
203.08487	3.2
206.07323	2.4
209.08006	1.6
217.04913	3.9
217.06703	2.0
217.08641	2.8
219.08081	3.5
219.10078	1.6
227.12694	2.1
231.08058	2.9
233.09677	3.0
234.06900	2.1
235.07562	3.1
249.09258	5.0
250.09807	1.8
251.06999	2.1
259.62329	1.5
260.08322	1.7
261.09085	3.5
265.09418	3.0
268.97745	1.9
277.08768	3.2
278.09360	2.4
279.06464	1.8
281.11768	6.7
285.01022	3.4
289.08615	3.3
290.09644	1.7
291.06543	1.6
295.09631	1.7
303.02039	1.8
309.10913	7.4
310.11755	2.3
311.09540	2.9
321.11237	6.9
323.09222	1.8
326.11511	3.0
341.14008	6.9
353.13745	6.1
371.11505	1.9
371.16949	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	371.1489
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
53.03942	3.6
55.01866	3.6
55.05511	6.0
65.03949	4.2
67.05496	8.3
69.03419	5.4
69.07068	4.0
69.52766	20.7
76.97245	2.4
79.05501	16.8
81.03423	6.4
81.07057	25.4
83.04993	3.5
85.02894	4.0
86.09705	2.7
91.05407	14.9
93.07037	7.0
95.04964	9.7
95.08609	11.3
97.02855	3.3
98.20747	4.2
103.05486	4.7
105.03398	3.9
105.07032	14.2
107.04951	24.2
107.08623	6.3
109.10166	2.3
111.04448	5.3
115.05450	6.4
117.07008	2.4
119.04948	23.8
119.08604	5.8
121.06513	5.9
121.10139	3.9
122.03657	3.4
123.04431	92.3
123.08063	5.1
124.05193	3.2
125.05992	3.9
127.03970	3.5
128.06210	4.1
129.06984	10.9
131.04921	9.8
131.08563	5.5
132.05688	3.9
133.06485	7.5
133.10205	2.7
135.04451	6.2
137.05978	33.5
137.09616	3.4
139.03932	7.8
141.07019	2.8
143.04924	3.2
144.05733	3.5
145.05153	2.4
145.06422	6.2
145.10045	3.1
147.04408	59.3
147.07993	2.8
149.05978	10.1
149.09644	2.9
151.03902	100.0
151.05124	5.6
151.07619	3.0
153.05536	2.5
156.05725	9.8
157.06569	4.1
159.08093	7.8
160.05228	6.4
161.05998	14.9
163.03906	8.1
163.07607	3.0
165.05475	28.5
165.06898	3.5
167.07036	83.0
173.05856	2.2
174.06735	3.3
175.07573	20.7
177.05415	11.2
179.07025	3.3
181.04903	4.4
187.07539	21.1
189.09181	4.3
190.07816	5.2
191.07022	8.3
191.08653	3.0
199.07573	9.9
201.09102	4.2
203.08569	6.3
205.08638	2.8
206.07295	4.2
207.06487	3.6
209.15347	3.8
215.08667	3.2
217.08476	20.3
218.07310	5.6
219.08127	5.3
219.10155	57.5
221.09683	5.8
223.07590	2.4
231.08092	4.8
233.09628	8.1
234.06761	7.2
235.07561	9.7
235.19151	2.5
238.10153	2.6
239.07129	4.6
241.08603	6.4
247.07516	5.4
247.09692	6.3
249.09048	14.3
250.10002	3.4
251.07126	3.1
252.07954	4.2
257.08035	2.7
261.09000	12.7
263.07172	3.4
264.07742	2.8
265.08469	3.0
266.09317	4.5
268.97897	3.1
277.08624	9.6
278.09384	5.4
281.08347	2.8
281.11685	8.1
285.00916	3.4
285.07693	13.0
289.08612	4.3
293.08157	3.4
293.11667	8.2
294.08661	3.3
295.09601	6.1
300.09918	11.5
301.10599	5.3
303.08743	12.9
307.09540	5.4
309.11221	10.7
313.10501	4.8
321.11142	12.4
322.11600	2.8
323.09271	4.3
326.11426	5.6
338.11331	3.3
339.12317	5.8
341.13907	8.5
353.13837	20.5
371.11020	2.8
371.14954	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	371.1487
Annotation	CHEMBL1689340
Peak:m/z	Relative Intensity
53.03943	3.2
55.01867	4.6
55.05518	3.0
55.98420	2.6
62.96325	2.6
62.99311	2.5
65.03954	2.5
67.05492	9.1
68.99775	14.4
69.03419	3.7
69.07060	22.6
70.20302	13.6
73.06568	3.1
73.34408	2.8
81.03450	3.4
81.07046	17.5
83.04987	2.5
91.05435	15.0
93.07033	9.9
95.04961	7.7
103.05453	7.8
105.07029	7.3
107.04952	11.8
107.08561	4.2
109.06503	3.4
111.04440	6.1
116.65616	2.6
117.07012	4.4
119.04952	11.6
119.08591	4.8
121.06503	19.5
123.04427	100.0
129.07008	4.0
131.04903	6.6
131.08530	3.1
133.06526	4.1
134.03661	3.1
135.04434	9.3
137.02318	6.3
137.05978	6.9
139.03911	15.9
141.07005	3.6
145.06448	3.9
145.10106	3.1
147.04407	47.8
147.07999	3.6
149.05975	90.8
149.07123	5.6
149.09698	4.2
151.03918	10.9
153.05449	4.0
153.14893	2.5
157.06543	3.6
161.06052	4.6
163.03851	5.2
165.05487	15.9
167.07005	4.1
169.04964	4.9
173.05992	5.0
173.09535	2.9
175.03885	3.1
175.07556	15.2
177.05409	13.1
181.04968	26.1
185.06023	4.8
187.07506	5.9
189.09045	5.0
193.04993	6.8
201.05513	7.9
201.09160	6.6
203.06987	5.5
207.10185	11.3
213.05711	2.9
215.07069	2.8
221.11694	3.6
223.09761	4.1
229.04921	3.1
235.09612	25.8
237.11223	13.4
243.06569	4.1
244.01254	2.8
255.06535	5.6
275.09094	5.1
287.09189	3.7
293.11758	4.7
297.07599	3.6
311.12701	2.9
315.08563	7.1
339.12402	5.3
343.15381	7.9
353.13745	6.7
371.10843	4.0
371.14899	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	371.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13652	1.1
53.03930	1.4
54.91400	1.1
55.01870	1.5
55.05498	3.2
57.03387	1.0
61.39457	1.0
65.03918	1.3
67.05482	3.7
69.03426	3.6
69.07049	2.3
69.36856	9.4
71.04985	1.5
72.08185	0.9
73.04728	1.6
79.05495	5.7
81.03393	2.8
81.07051	9.3
83.04975	3.7
83.08633	0.9
85.02890	3.0
85.06532	1.5
86.09689	1.4
91.05773	9.7
93.07046	5.6
94.04111	1.0
95.04966	6.2
95.08604	7.9
97.06514	2.1
97.10160	1.1
99.04410	1.3
101.06014	2.0
103.05456	3.1
105.07026	4.8
106.04137	2.2
107.04939	6.6
107.08620	5.2
109.06533	3.3
109.10149	3.2
111.08084	9.3
115.05393	1.1
117.06985	2.0
119.01916	2.5
119.04933	2.6
119.08552	3.5
121.06491	4.2
121.10145	3.6
123.04420	7.8
123.08029	2.6
125.09632	1.2
129.06953	2.6
131.04922	2.0
131.08585	1.7
132.05745	1.0
133.06525	2.3
133.10146	2.2
135.04396	3.7
135.08037	2.3
135.11647	1.9
136.04753	1.7
137.05954	10.3
137.09627	2.5
139.03870	1.3
139.11151	1.9
139.92903	1.0
141.09059	1.3
145.10124	2.0
147.04390	6.5
147.06476	1.3
149.05956	4.5
151.03923	8.7
151.07516	2.0
151.11183	2.4
153.05443	1.4
153.09084	1.0
156.05725	2.1
159.08014	2.9
161.05969	2.1
163.03838	1.3
163.07631	1.9
163.11157	3.0
165.05461	2.9
165.09135	3.6
167.07056	14.1
169.12250	1.4
171.07948	1.0
173.13168	1.2
175.07541	3.2
177.05435	3.7
179.07027	1.7
181.12238	1.7
187.07545	4.6
189.07167	1.3
189.08998	2.4
191.07019	2.4
191.10693	1.6
191.14264	1.5
193.08611	1.5
203.08543	1.1
205.06447	1.2
207.10052	1.4
208.13385	2.1
209.08070	3.2
209.13626	1.9
215.08626	1.1
217.06804	1.1
217.08586	6.4
218.07298	2.8
219.08199	2.1
219.10170	4.8
221.09697	1.4
221.77637	1.0
231.08063	2.2
232.08771	1.0
233.09633	3.2
234.06841	1.8
235.07491	2.5
239.06944	1.3
246.06856	1.0
247.07468	2.1
247.09796	1.6
248.08284	1.2
249.09184	2.8
250.09758	1.2
251.07063	1.6
261.09085	3.9
262.06348	1.9
263.07016	2.9
267.11908	4.5
268.97797	2.2
271.04059	1.6
277.08514	5.1
278.09451	3.6
279.10132	2.4
285.00851	2.6
285.07565	1.9
285.13062	3.2
289.08701	1.5
293.11642	2.3
306.08749	2.2
307.09576	2.3
309.11191	3.5
314.48096	1.1
317.20935	1.0
321.11179	4.1
323.09207	1.6
326.11328	2.2
327.14139	19.5
335.21872	1.5
339.12244	13.6
341.13770	1.9
353.14081	5.6
355.07135	1.2
371.13077	100.0
372.13547	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42056	1.7
53.03942	3.7
55.01860	2.2
55.05509	2.7
57.03395	1.7
61.02923	1.9
65.03907	2.9
67.05499	9.5
67.58710	1.9
68.99776	2.3
69.03427	10.7
69.58882	13.9
70.03765	3.0
70.06599	4.4
73.04750	5.5
75.45591	1.7
77.03937	2.3
79.05473	2.6
80.05043	2.1
80.38134	2.1
81.03424	3.9
81.07060	2.7
83.04977	12.4
84.08150	2.3
85.02916	15.8
86.03239	2.5
89.03905	5.0
91.05794	41.3
93.03387	3.8
94.04176	1.7
95.04977	13.4
97.02882	3.8
98.20806	2.3
98.95444	1.7
99.04476	2.1
101.06036	3.8
102.12651	1.5
105.03383	12.9
107.04926	4.5
109.02894	2.6
111.04433	16.1
116.64284	1.8
117.03395	3.5
119.04914	2.1
121.02850	2.5
122.06045	2.2
123.04433	46.0
127.03914	3.3
128.69495	1.7
129.05464	7.0
133.02850	47.2
133.04750	1.7
135.04411	7.0
137.02365	13.0
138.05505	1.8
139.03889	6.8
147.04385	3.5
147.06477	4.0
148.05074	2.5
150.03073	5.0
150.05479	3.5
151.03926	29.5
152.07053	1.9
157.04997	3.7
161.01189	1.8
161.02330	38.4
163.03935	10.0
167.07016	2.7
176.04555	48.5
177.04926	58.0
178.05029	3.7
179.03392	100.0
180.03835	4.4
185.07306	1.8
197.04445	11.6
208.07187	47.9
209.07521	81.8
268.97745	8.7
285.00977	11.1
303.01895	5.4
354.85992	1.8
355.06827	8.8
371.12665	3.6
371.16867	3.8
373.07834	1.9
388.68698	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	370.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01878	0.6
55.05511	17.5
57.05809	2.2
61.06159	0.4
67.05499	0.7
69.07060	0.8
70.06600	0.7
71.04995	0.7
71.14725	1.5
72.08155	100.0
77.90163	0.4
79.05508	1.4
81.07069	1.4
82.06567	0.6
85.02897	1.1
91.05464	0.8
93.07066	0.7
95.04986	1.1
96.86613	0.4
105.07030	1.1
107.04982	1.2
107.08574	0.9
109.06549	0.6
115.05521	0.5
119.04945	1.0
120.05323	0.5
121.06459	0.6
122.53088	0.7
123.04434	1.2
126.05513	3.2
135.08083	0.9
137.05975	1.8
138.06313	0.6
139.07504	0.8
140.03462	0.7
147.04437	1.7
148.04791	0.7
151.03951	1.3
161.06042	0.6
163.07581	1.0
165.05557	1.0
167.07013	2.4
175.07661	1.5
180.34003	0.4
181.08578	3.2
182.08147	1.3
187.07559	1.1
199.09645	4.1
218.07497	0.5
219.10266	1.7
235.07710	0.6
280.11914	1.1
321.11520	0.9
328.33160	0.5
370.14056	0.8
370.26440	0.6
371.12952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17990	0.2
52.10201	0.2
70.84209	0.6
80.04997	0.3
83.04958	0.3
91.05785	0.9
108.04456	0.4
110.07093	0.3
111.39396	0.2
123.04430	0.3
132.04433	0.2
133.02863	0.3
148.05034	2.2
150.03133	1.5
152.34520	0.2
154.02577	0.3
163.03931	0.4
176.04543	100.0
177.04971	1.2
177.06261	0.2
177.14725	0.2
178.04997	0.3
179.03459	0.5
208.07166	67.8
209.07449	0.7
262.82632	0.2
265.59949	0.2
268.97794	0.3
285.00864	0.3
329.85416	0.2
347.08270	0.3
370.12430	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	370.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14490	0.2
53.03935	0.9
53.88249	0.2
55.01870	0.7
55.28219	0.2
57.03429	1.2
61.02930	2.2
68.23872	0.2
69.03082	0.4
69.03435	5.7
69.30558	1.0
69.30978	1.6
71.04972	0.6
73.02921	1.0
80.05021	1.2
81.03431	2.1
83.01339	0.3
85.02906	11.3
87.04470	0.6
91.03935	0.7
92.94483	0.2
97.02898	3.4
99.04460	1.2
109.02883	1.5
127.03928	2.0
145.05002	1.3
148.05037	4.7
175.03749	0.5
176.04556	100.0
177.04956	1.5
178.99983	0.2
179.03290	0.3
186.62689	0.3
193.70001	0.3
200.04662	0.3
208.07181	92.4
209.07507	1.9
218.05646	0.5
312.63995	0.3
370.12598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.79749	0.9
55.05496	2.3
56.96530	1.0
57.03431	1.3
61.02904	0.9
62.48600	0.7
65.03937	3.1
66.12730	0.9
67.05502	9.5
68.99760	1.2
69.03440	6.8
69.07083	1.3
70.06590	3.7
71.04984	1.0
71.59132	1.2
72.08159	20.5
77.03927	1.7
79.05491	3.4
80.05011	1.1
81.03403	3.2
81.07054	1.1
83.04984	13.6
83.07545	0.9
84.04505	1.5
84.08123	1.1
85.02909	10.3
91.05424	1.4
93.03416	6.3
95.04974	10.5
96.04503	1.4
97.02908	2.2
98.09681	1.1
99.04450	1.7
105.01880	1.1
105.03401	9.0
107.04957	22.9
108.04472	1.5
109.02886	4.1
109.06452	1.0
110.06039	1.3
110.09667	3.5
110.75872	0.8
111.04439	18.8
115.03921	1.0
116.43774	0.8
116.94802	0.8
119.04955	1.8
121.02874	3.1
122.06021	6.4
123.04420	9.8
124.07595	2.1
127.03896	4.0
129.05496	9.7
131.08592	1.0
133.02853	34.6
135.04422	1.4
136.06197	2.6
136.07597	1.1
139.03917	14.7
147.04454	1.1
148.07510	1.0
149.08321	0.9
150.03098	2.1
151.03896	17.7
157.04958	10.2
160.40349	0.9
161.01115	1.5
161.02350	17.7
163.03940	2.2
170.08145	2.1
175.03899	1.1
175.04575	0.9
175.06038	7.2
176.04483	1.7
178.04951	0.8
179.03400	100.0
180.03790	2.1
207.06560	1.1
208.06995	4.0
208.13388	1.0
210.15080	1.8
215.78069	0.9
218.11855	1.3
220.09842	1.3
236.12819	3.6
248.09277	2.9
264.15936	26.5
266.17496	7.4
281.18552	5.5
282.16895	1.3
335.23331	6.2
352.25952	13.4
353.08691	1.4
370.27036	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01867	1.3
55.05508	3.1
65.03931	2.8
67.05498	10.9
68.99783	2.5
69.03419	4.7
69.07060	3.5
69.87710	1.7
69.88129	4.3
70.06606	6.3
72.08163	12.4
72.72362	1.0
77.03934	2.4
79.05496	2.6
81.03427	3.9
83.04985	14.0
85.02905	8.4
87.00823	1.0
89.03941	0.9
91.05855	1.2
93.03396	5.9
95.04972	9.9
97.02914	2.0
105.03379	7.6
107.04955	23.0
107.94425	0.9
109.02889	2.8
110.09706	1.1
111.04446	21.8
119.04919	1.1
121.02873	3.8
122.06065	1.7
123.04424	10.0
124.07625	1.8
127.03911	2.5
129.05478	10.8
133.02855	38.8
134.03607	1.2
135.04413	1.7
136.06209	1.4
139.03894	14.2
150.03218	1.2
151.03886	16.5
157.04944	11.9
161.02341	18.3
175.05998	6.9
176.04492	2.1
178.02718	1.1
179.03398	100.0
180.03807	1.2
208.06947	3.0
215.07159	1.2
236.12962	2.1
243.06577	1.4
248.09248	2.4
257.07932	0.9
264.15942	10.9
266.17499	4.4
281.18665	2.0
284.90060	1.1
335.23395	3.3
352.25876	7.2
353.08658	1.5
370.27023	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.01862	9.5
55.05268	5.5
55.05515	70.2
56.05836	3.2
56.96562	6.3
57.03435	26.4
57.07087	6.0
59.08468	3.3
65.03936	3.9
67.05170	5.8
67.05505	81.4
69.07065	29.4
69.57008	25.5
71.04984	6.9
71.08634	44.7
72.90686	3.4
78.20831	3.1
79.05494	50.2
81.03422	6.8
81.07059	100.0
83.04963	12.2
83.08617	53.6
85.06535	6.9
85.10168	4.0
91.05483	42.4
93.07049	49.6
95.04964	12.4
95.08607	50.3
97.06522	13.7
97.10179	8.8
99.08093	43.1
105.07027	43.9
107.04962	5.0
107.08592	23.6
109.06511	8.0
109.10162	18.8
111.08084	22.6
113.09660	7.5
117.07036	9.3
119.08617	28.5
121.10145	28.8
123.08074	7.2
123.11678	8.9
127.11162	4.6
129.06998	7.6
131.08565	17.1
133.10146	30.5
134.01825	3.4
135.11691	16.2
139.11151	7.0
143.08537	7.9
145.10139	10.3
147.11681	36.8
149.09714	3.4
149.13246	13.9
151.11163	14.6
157.10147	7.8
159.08025	4.1
159.11765	5.6
161.13260	12.3
163.11230	6.6
165.08902	3.2
165.12752	17.7
167.14169	5.2
171.11691	5.4
173.13158	3.2
175.11171	5.9
175.14969	4.6
179.14310	20.0
185.13272	6.6
193.12187	4.5
197.13232	3.5
241.19579	5.5
247.08463	3.2
259.20572	7.6
277.21646	48.0
295.12445	3.5
295.22586	7.7
351.22876	3.9
351.25528	4.4
369.26688	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01865	9.1
55.05509	30.8
56.96556	2.7
57.03436	11.6
57.07059	4.0
65.03933	2.9
65.90843	1.4
67.05503	59.8
69.03409	2.5
69.07068	26.3
69.92421	9.5
70.83012	1.5
71.04969	3.8
71.08624	17.7
75.04446	1.5
79.05059	2.9
79.05491	37.9
81.03419	10.7
81.07051	57.4
82.07446	1.4
83.04984	10.9
83.08618	16.9
85.02908	2.3
85.06528	5.1
89.53891	1.5
91.04964	2.5
91.05480	32.4
93.07040	47.5
95.04965	15.7
95.08608	31.2
97.02872	2.3
97.06542	9.0
97.10167	8.9
98.20706	1.7
99.08099	12.5
105.07029	25.2
107.04956	5.3
107.08588	26.4
107.13512	1.4
108.08881	1.3
109.06487	5.5
109.10148	17.8
111.00796	2.9
111.04445	1.4
111.08066	5.2
113.09646	1.6
115.05429	4.3
116.06187	1.4
117.07012	11.9
119.08565	16.2
121.06496	3.3
121.10154	17.9
123.04446	3.5
123.08073	4.2
123.11674	5.5
125.09636	9.5
128.06232	3.5
129.06963	8.2
131.04950	2.4
131.08522	8.3
133.06508	1.9
133.10121	14.6
135.04431	1.8
135.08057	2.7
135.11694	12.6
137.05986	2.2
137.09601	3.5
139.03879	9.4
139.07500	2.0
141.07001	2.2
143.08557	4.7
145.06477	4.1
145.10129	5.9
147.08037	10.2
147.11679	7.1
149.09610	1.5
149.13260	13.8
151.03880	2.0
151.07555	3.1
151.11160	26.7
153.07034	1.6
155.08528	4.1
157.06427	2.3
157.10146	6.3
159.08055	4.0
159.11629	7.4
161.05989	1.7
161.09572	2.1
161.13232	10.3
163.11157	6.6
163.14812	3.0
165.06964	1.8
165.12738	5.6
169.10132	2.2
170.07298	1.5
171.08072	7.4
171.10272	1.8
171.11714	2.6
173.05942	1.8
173.11736	6.5
173.13210	2.7
174.06636	2.0
175.07574	8.6
175.14821	2.2
176.98700	1.7
177.09103	32.2
177.12714	5.1
179.14314	4.0
181.06473	1.9
181.10059	2.2
183.08043	4.0
185.09622	4.6
185.13275	3.1
187.07419	1.8
188.08340	7.4
189.09045	6.0
189.11143	7.3
189.12747	2.1
195.11867	2.3
195.13817	6.9
197.09615	4.5
198.10388	2.5
199.07600	3.1
199.11203	2.2
199.14760	2.4
201.09059	4.0
202.09784	4.1
203.10545	3.1
207.13820	1.5
211.11150	2.8
212.11909	1.7
213.09097	2.7
213.12679	2.4
215.10767	2.8
217.08516	1.8
217.12117	2.6
221.15207	1.7
225.12852	2.4
227.12743	4.8
229.08714	8.0
229.12111	3.6
231.13872	5.3
231.21049	3.2
240.07639	2.2
241.08665	1.6
241.19559	3.6
243.13820	9.2
245.13803	3.2
251.07047	2.1
253.17903	2.8
259.20465	7.5
267.06598	1.6
267.10022	1.6
268.07263	1.8
269.08057	4.5
269.17480	22.1
277.21606	39.9
281.07965	1.8
283.09555	3.3
295.09549	3.0
295.22659	1.7
300.09796	2.1
301.10446	2.1
309.26126	2.6
313.10690	34.5
327.12070	2.4
337.14340	2.0
351.25604	13.0
369.16965	100.0
369.24487	18.2
370.17181	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01876	11.8
55.05269	3.9
55.05515	55.9
55.26076	1.8
56.96553	3.6
57.03439	23.8
57.07069	6.5
65.03940	5.2
67.05508	100.0
69.03448	2.3
69.07068	35.2
69.33997	23.8
71.04992	7.5
71.08636	28.4
76.01378	2.0
79.05492	60.7
81.03413	9.9
81.07056	93.5
83.04980	18.2
83.08618	29.0
85.02879	3.7
85.06532	2.4
85.10197	2.6
91.05488	50.8
93.07044	75.5
95.04982	26.2
95.08610	49.7
97.06518	11.9
97.10196	15.3
99.08086	23.6
105.07043	35.0
107.04942	2.3
107.08604	39.6
109.06521	7.5
109.10168	18.7
111.08076	12.0
113.09683	4.0
117.06986	11.3
119.08594	24.1
121.10159	20.3
123.08059	6.1
123.11687	7.2
125.09639	16.5
129.06995	7.4
131.08569	14.2
133.10120	27.2
135.08049	5.0
135.11713	20.6
137.09633	4.1
139.11185	4.1
143.08563	4.0
145.10094	10.3
147.11690	16.8
149.13280	23.8
151.11186	36.7
157.10004	2.5
159.11722	11.1
161.13268	13.6
163.11165	7.5
165.12729	11.7
171.11732	5.3
173.11728	6.8
173.13142	2.5
175.03922	3.2
175.14906	3.0
177.12776	5.6
179.14313	7.6
182.58412	2.1
185.13264	4.6
189.11221	10.1
189.12805	4.3
195.13753	13.4
200.53050	2.5
221.15378	2.5
227.12729	5.5
241.19513	3.2
249.22107	2.6
253.17989	3.9
255.08971	2.8
259.20605	7.0
269.17462	37.6
270.05157	6.3
277.21634	44.1
295.22348	3.7
298.04758	16.0
313.07065	37.9
314.07571	5.2
338.11432	4.1
351.25269	17.4
367.18100	3.4
369.13239	27.0
369.26166	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05863	5.3
53.03931	8.7
55.01872	8.7
55.05511	36.4
56.96538	6.2
57.03428	11.7
67.05505	100.0
69.03404	6.1
69.07060	41.7
69.32169	58.4
71.04993	6.4
71.08623	38.7
79.05486	59.6
81.03416	19.8
81.07044	89.0
83.04997	13.9
83.08620	18.7
91.05454	42.5
93.07046	55.9
94.07386	6.1
95.04943	28.9
95.08598	56.2
97.06524	12.3
97.10175	6.5
99.08112	17.1
105.07026	34.7
107.04926	7.7
107.08578	32.6
109.06504	8.4
109.10157	20.2
111.08050	11.2
113.25050	6.0
117.07013	7.7
119.08571	29.4
121.10137	17.8
123.08096	8.2
123.11748	7.2
125.09627	20.8
128.06169	6.5
129.07007	11.0
129.80692	5.8
131.08577	12.2
133.10144	22.9
135.04489	10.1
135.11729	14.8
136.36302	6.0
137.05989	10.7
145.10158	16.6
147.04413	12.6
147.11702	25.7
149.13271	10.4
151.07520	8.2
151.10155	7.9
151.11205	42.3
151.14807	6.6
161.13235	14.8
163.11234	11.2
165.12802	10.0
173.13280	11.3
175.14804	7.1
179.14308	10.1
185.13219	6.6
189.09070	8.6
189.11169	13.9
207.06531	6.9
227.12733	6.4
245.13802	6.9
277.12524	6.6
277.21643	80.5
291.06140	6.0
295.22549	5.5
311.19757	9.5
313.07086	21.9
351.25110	20.3
369.13443	21.6
369.24124	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.8
50.74505	2.8
53.03939	8.7
53.25877	3.0
55.01874	11.6
55.05510	44.6
56.96568	2.7
57.03436	13.2
57.07077	5.4
63.17454	2.7
65.03936	8.1
67.05507	100.0
69.03416	3.8
69.07068	28.3
71.04997	7.9
71.08630	47.4
71.59042	4.3
72.54971	2.8
79.05495	62.1
81.03422	17.1
81.07056	76.3
83.04977	14.2
83.08619	21.8
84.71865	2.8
85.06556	5.5
91.05481	57.2
93.07042	61.8
95.04972	24.8
95.08605	48.7
97.06536	13.8
97.10179	22.4
99.08106	32.2
105.07019	29.4
107.04964	8.3
107.08604	39.3
109.06538	5.8
109.10166	36.1
111.08080	5.5
115.05450	3.1
117.07014	14.3
119.04972	20.2
119.08556	16.9
121.06477	4.9
121.10161	19.4
122.06060	3.3
123.11791	6.2
125.09615	22.8
129.07016	12.1
131.08574	14.2
133.06451	4.4
133.10138	20.4
135.08037	8.3
135.11710	20.7
137.09639	7.5
141.06993	7.3
142.07811	3.3
143.08557	6.5
145.10139	12.7
147.04413	69.2
147.11662	14.7
148.04744	3.8
149.09619	6.2
149.13269	12.0
151.11197	57.2
153.06938	3.0
155.08592	4.2
157.10127	10.9
159.08072	6.9
159.11739	7.5
161.13266	15.6
163.11189	11.5
163.14812	4.9
164.81277	3.2
165.12711	5.3
169.10114	3.6
171.11705	13.2
173.11740	19.9
173.13132	3.7
175.14865	4.3
179.14302	14.1
185.13271	7.9
189.09280	6.6
189.11205	23.8
189.12743	5.8
195.11720	3.5
215.14316	3.1
227.12794	14.2
231.21022	5.7
241.19543	9.7
245.13890	8.8
253.18039	7.4
259.20639	16.6
277.21616	68.8
323.23636	4.4
337.10397	4.4
351.25803	33.1
369.13348	7.4
369.23880	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
54.53006	3.1
55.01863	10.8
55.05263	4.9
55.05514	57.6
56.96571	4.0
57.03439	26.1
57.07065	8.7
58.47028	2.6
65.03934	4.2
65.91875	2.6
67.05505	87.1
69.03422	3.9
69.07072	36.2
70.14040	11.6
71.05015	13.0
71.08635	24.2
79.05493	62.5
80.81182	3.1
81.03418	11.5
81.07061	100.0
83.04974	20.4
83.08627	30.7
85.02918	8.1
85.06547	8.7
85.10178	11.0
88.74278	2.8
91.05480	54.6
93.07048	67.7
95.04987	21.0
95.08609	48.8
97.06527	17.9
97.10162	10.8
99.08102	20.8
103.05482	3.0
105.07024	42.9
107.04947	7.8
107.08589	36.9
109.06525	10.4
109.10155	27.9
111.04476	4.2
111.08092	11.4
113.09673	10.0
115.05460	3.9
117.07037	16.0
119.08581	24.3
121.06482	3.9
121.10161	31.1
123.08041	5.2
123.11723	9.3
125.06020	3.1
125.09632	9.4
129.06981	6.4
131.08586	12.0
133.10132	31.4
135.04449	3.7
135.08044	5.4
135.11740	14.9
137.05997	8.4
137.09590	6.7
139.03860	3.1
139.11182	3.1
141.06944	3.1
143.08563	7.4
144.05762	4.4
145.06480	3.5
145.10146	13.2
147.04449	6.0
147.08078	5.2
147.11678	16.5
149.09663	5.9
149.13266	22.1
151.11171	29.9
153.12740	4.7
155.08476	4.3
157.10136	7.8
159.08063	14.7
159.11688	13.8
161.09596	5.4
161.13266	14.0
163.11212	5.9
163.14842	3.7
165.12766	19.2
171.07967	3.6
171.11667	4.2
173.11761	5.2
173.13206	4.0
175.11209	3.9
175.14796	4.0
177.12769	4.1
179.14291	8.0
187.14722	3.0
187.92212	2.8
189.09106	27.1
195.13797	9.8
207.06429	3.3
231.07751	3.2
241.19574	4.5
253.18019	3.4
259.20535	6.7
269.17453	28.7
271.09686	5.7
277.18408	5.8
277.21643	51.0
279.06396	3.5
295.22620	26.9
337.10593	7.7
351.25278	9.7
369.13214	9.3
369.24829	12.7
369.26337	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	369.2422
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03935	1.4
55.01867	5.2
55.05510	12.7
57.03432	1.2
57.07058	1.9
60.32557	0.5
65.03939	1.8
67.01845	0.6
67.05502	14.4
68.99775	1.3
69.03432	2.4
69.06721	0.8
69.07066	11.2
71.01353	0.9
71.04981	1.5
71.59048	0.7
79.05059	0.8
79.05495	12.0
81.02978	0.7
81.03419	10.0
81.06579	1.0
81.07053	16.5
83.04975	3.1
83.08620	4.6
85.02911	0.7
85.06509	1.0
91.05479	16.8
93.07047	11.9
95.01326	1.0
95.04970	9.5
95.08605	11.0
97.02891	1.1
97.06517	1.9
97.10177	2.4
99.08092	0.5
103.05460	1.8
105.03373	1.0
105.07030	16.0
107.04955	6.3
107.08602	6.8
109.02875	0.9
109.06506	2.9
109.10149	3.8
111.00836	0.6
111.04417	1.6
111.08099	0.8
113.02335	0.5
115.05456	5.0
117.07021	11.1
119.04934	1.5
119.08582	10.1
121.06501	4.0
121.10146	4.2
123.04401	2.5
123.08031	1.2
123.11668	1.2
125.09609	1.0
128.06206	9.7
129.07004	17.2
130.07785	0.9
131.04945	2.4
131.08565	12.7
133.06502	4.3
133.10141	6.1
135.04399	0.9
135.08060	2.8
135.11650	1.6
137.06000	1.1
137.09598	1.3
139.03905	3.1
141.06995	9.8
142.07791	6.0
143.08549	16.2
144.05666	0.7
144.09224	0.6
145.05389	0.7
145.06487	8.7
145.10118	8.5
146.07159	0.6
147.04427	1.0
147.08037	4.9
147.11691	3.4
149.05978	1.0
149.09601	2.1
149.13210	0.7
151.07529	1.6
151.11172	1.3
152.06216	1.4
153.05823	0.7
153.06972	4.4
154.07729	2.9
155.04942	0.5
155.08542	12.8
156.05763	0.4
156.09286	2.4
157.06502	9.6
157.10120	12.0
158.07256	2.0
159.04526	0.5
159.08058	7.3
159.11699	6.4
159.70634	0.5
161.06003	1.3
161.07277	0.4
161.09595	2.9
161.13300	1.5
163.03899	0.5
163.07555	1.1
163.11171	1.2
165.06963	3.8
165.09048	0.6
166.07780	2.0
167.08563	7.9
168.09349	2.6
169.06430	3.4
169.10133	11.0
170.07278	2.1
170.10771	0.6
171.08047	13.9
171.11681	8.8
172.08844	2.3
173.05939	1.4
173.09642	4.6
173.13217	2.4
175.07571	4.1
175.09714	0.7
175.11171	5.3
175.14859	0.6
176.08310	0.9
177.09097	3.1
178.07816	1.1
179.08548	3.6
180.09341	2.0
181.06454	1.4
181.10124	7.2
182.07285	2.0
182.10893	1.6
183.08057	10.9
183.11673	10.0
184.08792	4.0
184.12444	0.7
185.09616	11.5
185.11365	0.7
185.11703	0.7
185.13225	6.4
186.10378	1.2
187.07524	2.0
187.11162	3.4
187.14874	1.4
188.08347	2.2
189.09116	2.3
189.12759	1.6
191.10628	0.5
192.09322	1.3
193.10117	4.2
194.10924	0.8
195.07967	1.0
195.11702	6.3
196.08855	1.5
197.09624	9.5
197.13243	5.2
198.10350	2.9
198.13872	0.7
199.07558	1.2
199.11194	8.9
199.14845	3.8
200.11903	0.7
201.05318	0.5
201.09062	3.6
201.12750	2.7
201.16386	0.5
202.09821	1.1
203.10690	1.7
205.10107	0.9
207.11720	3.3
208.12468	0.8
209.09637	1.2
209.13251	4.4
210.10416	0.8
211.11171	6.6
211.14706	2.5
212.11954	2.3
213.09122	1.7
213.12761	8.7
213.16356	0.9
214.13258	0.7
215.10538	2.5
215.14435	0.7
217.08604	0.5
217.12267	1.7
217.15756	0.6
221.13275	2.5
222.14006	0.5
223.11104	0.7
223.14844	2.7
225.12746	5.9
225.16385	1.8
226.13457	1.5
227.14325	6.3
228.07773	0.8
229.08546	2.9
229.12198	2.5
229.15961	0.5
231.13763	1.9
233.13159	0.6
235.14835	2.4
237.12698	1.0
237.16391	1.2
239.14278	3.8
239.17885	0.9
240.15086	0.7
241.08580	0.8
241.15900	1.9
241.19572	0.6
243.13745	3.0
249.16325	0.8
251.14174	0.6
253.12384	0.6
253.15863	2.2
253.19565	0.5
255.17392	0.7
257.15356	1.0
259.20517	1.1
263.14270	0.6
267.17514	1.3
268.07407	0.6
269.08118	1.4
269.18900	0.7
271.09460	1.2
271.16949	1.0
271.20517	0.6
275.20123	0.6
281.19016	0.8
281.22458	0.7
283.09686	1.1
283.17090	0.6
283.20648	0.6
285.14844	0.7
285.18436	0.6
285.21893	0.6
287.20166	0.8
291.21091	0.6
295.17123	0.6
295.20477	0.8
297.22208	0.5
299.16559	0.9
299.19904	0.6
300.09988	0.8
301.10541	0.9
305.22598	1.2
309.18762	0.8
309.22137	1.8
311.20190	0.9
313.10681	11.1
313.18079	0.8
313.21585	1.0
314.11252	0.8
323.23657	4.8
325.17923	0.6
325.21643	1.1
327.19797	0.8
327.23166	2.8
333.22073	3.5
341.21115	0.5
341.24768	7.2
351.23154	23.2
352.23514	1.0
369.17160	26.7
369.24219	100.0
370.17355	2.7
370.24536	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	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73475	0.6
53.03945	0.6
55.01863	6.5
55.05507	5.1
56.22010	0.6
57.03437	3.3
57.03659	0.6
67.05508	6.3
67.88177	0.6
69.07069	4.6
70.83977	0.7
70.84309	1.0
71.08629	1.4
79.05498	6.5
81.07057	30.3
82.07368	0.7
83.04973	2.1
83.08587	2.1
91.05491	4.3
93.07034	5.6
95.04967	0.9
95.08611	8.4
97.06517	2.3
97.34528	0.6
105.03404	0.5
105.07034	3.5
107.04959	0.7
107.08595	5.9
109.06515	11.3
109.10162	3.1
111.03704	1.0
111.04443	17.3
111.08081	1.1
112.26245	0.6
119.08591	4.1
121.10145	4.9
123.08069	2.1
123.11694	2.4
125.05980	5.1
128.06192	0.6
131.08562	2.4
133.10138	5.5
133.46432	0.6
135.08058	2.5
135.11705	5.0
137.05974	100.0
137.13240	2.1
138.06310	2.2
143.08546	1.5
145.10123	2.4
147.04387	0.6
147.08063	2.0
147.11705	6.3
149.09625	3.6
149.13185	1.4
151.07542	2.6
151.11183	1.9
157.10098	2.0
159.11678	0.6
161.09621	6.5
161.13275	2.7
163.11209	2.6
163.14833	1.2
165.09114	2.2
167.10577	0.8
171.11710	1.3
171.40794	0.6
173.13368	0.6
175.11203	6.6
175.14915	0.8
177.09128	0.9
177.12787	0.9
179.10660	2.7
181.12265	1.1
185.13449	0.8
187.14952	0.7
189.12689	1.4
193.12233	1.6
203.17928	6.1
204.18460	0.6
205.19559	0.9
213.16339	3.6
221.19016	2.3
231.15317	1.1
231.17459	11.7
241.15875	1.9
249.18489	12.7
250.18703	0.6
263.07172	0.8
277.17987	57.6
278.18219	3.6
295.19019	14.2
351.21652	7.0
369.13184	0.7
369.22360	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	369.2171
Annotation	Methoxyfenozide
Peak:m/z	Relative Intensity
55.01880	9.3
55.05518	20.0
62.17340	6.4
67.05503	37.8
69.07074	26.5
69.65814	45.4
72.08160	15.1
79.05495	15.5
81.03399	6.9
81.07059	27.4
83.08635	6.7
91.05484	28.7
92.20131	6.9
93.07044	21.0
95.04974	11.5
95.08601	16.0
97.10171	8.5
98.21483	13.9
105.07043	8.0
107.08556	13.8
109.10152	13.5
121.10146	10.8
123.37475	8.3
130.52229	6.0
133.06523	40.5
134.94322	7.0
137.09663	7.6
142.98029	9.9
149.05992	100.0
165.00082	7.2
185.02739	17.1
258.38364	8.0
264.23550	8.9
277.21655	9.4
294.54233	7.3
326.69104	6.9
351.23032	9.0
353.51578	7.4
369.13556	9.2
369.23859	39.0
369.31781	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	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	19.0
53.59057	2.9
55.01870	8.6
55.05305	3.5
55.05515	36.4
56.96570	6.2
57.03437	14.4
57.07071	4.1
57.90911	3.5
65.03931	8.6
67.05172	5.4
67.05506	73.3
69.03432	22.7
69.07071	31.4
69.35963	18.3
69.36398	10.3
71.04999	5.1
71.08627	12.7
77.03925	3.8
79.05495	100.0
81.03416	36.9
81.07055	73.2
83.04962	11.4
83.08610	16.2
85.02901	30.0
85.06519	5.6
91.05478	91.1
93.07041	98.5
95.04959	33.2
95.08617	38.4
97.02908	10.6
97.06535	52.6
97.10151	5.9
99.04449	7.9
99.08082	11.0
103.05450	4.5
105.07033	64.9
107.04967	11.9
107.08597	28.0
109.02890	15.2
109.06500	8.4
109.10158	11.8
111.04422	6.1
111.08060	8.7
115.05503	3.1
117.07024	16.6
117.95995	3.3
119.04948	14.1
119.08585	31.3
121.02865	5.0
121.06482	8.6
121.10136	15.1
123.04426	51.9
123.08105	8.4
123.11725	5.0
127.03917	25.7
128.06271	5.2
129.07031	21.3
131.08650	4.5
133.06474	5.1
133.10120	12.6
135.04420	22.4
137.05992	12.6
137.09595	3.8
139.03908	28.8
139.11118	3.6
141.06824	4.0
143.08574	12.4
145.06555	3.2
145.10133	17.8
147.04379	16.6
147.08017	6.5
147.11668	61.8
148.07584	3.3
149.05975	6.0
149.09489	3.6
149.13223	3.7
151.03880	6.9
151.11240	3.6
156.09395	3.6
157.10254	4.9
159.11731	3.1
161.05998	4.7
161.09647	9.5
161.13252	22.0
163.03914	40.3
165.12741	8.2
167.07034	5.4
167.75085	3.1
171.11697	46.0
175.03900	17.4
175.07632	3.1
177.05505	3.8
179.14182	3.7
181.06551	4.2
189.05486	5.7
189.09088	3.1
189.12701	17.3
199.07552	2.9
201.09044	7.0
207.06477	26.5
207.10234	5.2
207.13824	35.4
219.10118	26.6
225.14775	3.2
241.08180	3.2
248.08316	3.1
249.09258	5.3
267.09982	2.9
277.21664	9.2
281.08157	3.3
283.05927	6.3
293.08325	3.8
295.06165	3.8
307.09833	3.7
309.11243	6.0
327.08453	3.9
337.10788	6.8
339.12289	5.9
351.18280	4.3
369.13281	31.2
394.81757	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
50.38661	2.2
51.62718	2.4
51.96148	2.2
55.01869	5.0
55.05490	4.2
57.03437	3.9
61.02929	2.8
67.05492	6.6
69.03432	26.5
69.07068	3.6
70.04971	6.1
70.05380	9.4
71.05005	4.1
73.02879	2.8
76.87324	2.4
77.42774	2.2
79.05502	3.7
79.86761	2.6
81.03415	9.5
81.07060	14.8
83.04965	3.6
85.02423	5.1
85.02908	57.9
87.55002	2.6
89.03922	8.2
91.05486	26.5
92.05818	5.2
93.07061	5.4
94.50468	2.4
95.04989	4.7
95.08598	7.2
95.31116	2.3
97.02891	10.9
98.21576	3.4
99.04453	7.3
105.07020	11.1
107.08610	6.7
109.02891	5.6
109.10162	13.9
111.08110	4.8
115.05424	4.5
116.56390	2.4
117.03385	23.6
117.06978	3.4
119.04967	22.0
119.08587	10.0
121.06521	4.8
121.10128	6.4
123.08056	4.0
123.11708	37.0
125.05994	9.7
127.03919	5.8
128.06215	3.2
131.08557	3.2
133.06474	2.9
133.10121	6.3
135.04425	6.2
139.34843	2.5
143.08568	2.8
145.02856	52.5
145.06552	3.7
145.10127	5.6
147.04376	17.1
147.08047	3.1
147.11693	10.7
149.05966	11.9
149.09630	8.3
151.07549	9.3
151.11253	4.3
157.06477	2.8
161.09628	3.1
175.03931	19.8
177.05469	100.0
189.12782	14.4
191.14275	4.3
207.06500	51.0
207.13791	41.2
225.14825	4.3
258.14941	2.4
300.41034	2.4
333.16876	5.6
351.18161	14.7
369.15198	5.4
369.19052	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	368.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02977	0.4
55.05272	0.5
55.05510	6.1
56.01384	0.9
56.05027	2.1
57.03403	0.5
57.05808	0.4
57.83416	0.4
58.06341	0.5
58.06598	6.2
67.05494	0.6
69.03407	0.8
70.06568	0.9
71.58926	0.6
72.08152	11.7
73.06538	1.8
73.08483	0.4
81.03398	0.6
81.07038	0.5
83.04963	0.4
83.05633	0.5
83.06102	6.3
84.04494	4.8
84.08128	1.2
85.02877	1.1
86.09702	0.6
91.05481	2.5
93.04488	0.4
93.07018	0.7
95.08581	1.7
97.02895	1.0
98.04789	0.7
98.06046	3.8
99.05566	4.6
101.07120	1.5
102.05536	13.8
107.04928	0.6
109.10159	0.5
110.07163	1.1
112.11236	8.7
113.08374	0.6
115.08682	1.8
119.04942	0.5
127.03990	1.0
127.05016	4.4
127.08679	0.6
127.09930	0.6
134.06010	1.2
139.08646	4.0
141.10217	7.1
143.14287	0.4
145.06151	0.6
147.04404	1.1
154.11014	5.8
155.11784	40.8
156.10213	1.0
156.12187	0.5
157.06148	0.4
171.11226	1.2
173.12863	0.7
174.10036	0.5
177.05452	2.0
179.46939	0.5
192.10039	0.5
194.15199	0.4
199.10768	100.0
200.11185	2.3
207.06520	0.6
217.11909	0.4
263.10602	1.3
290.15030	1.0
293.13989	0.5
304.16489	2.5
322.21356	0.5
328.82190	0.4
337.16235	2.3
355.86261	0.4
368.12122	0.6
368.16452	11.7
368.21622	1.6
369.16278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	0.6
57.03420	0.3
60.04514	0.2
69.03425	0.3
69.45087	0.2
70.06596	0.2
71.57516	0.3
75.34092	0.2
85.02911	0.5
94.06567	0.2
97.02875	0.4
98.97594	0.5
105.03399	0.5
116.07076	0.4
116.98646	0.4
128.98648	0.2
132.04489	0.6
133.06099	0.2
134.99690	0.2
135.61316	0.2
136.07590	0.5
137.07889	0.4
137.80907	0.2
146.99680	0.2
150.05479	0.9
160.03912	0.4
163.02733	0.2
163.03934	0.4
178.04991	76.6
179.05347	2.5
181.03806	0.4
206.04483	100.0
207.04829	3.3
209.87648	0.2
237.02721	0.4
238.03242	0.3
308.07147	0.4
326.08496	0.5
368.09787	3.4
368.17914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.02996	0.1
55.05506	5.4
56.05033	7.1
57.03435	0.6
57.07064	0.1
58.06597	0.2
59.46312	0.1
62.99073	0.2
67.05492	0.4
69.00889	0.6
69.99307	2.9
70.06583	0.4
70.71822	0.3
71.05000	0.6
72.08147	0.4
73.06546	0.8
73.57559	0.1
79.05482	0.2
81.26987	0.1
82.06573	0.1
84.04494	0.5
84.08137	4.5
86.09698	0.8
87.01947	6.6
88.02246	0.1
91.05475	0.1
95.04944	0.2
95.08598	0.1
97.06538	0.2
97.07628	0.1
98.06049	6.7
99.01936	0.6
99.04443	1.2
104.04988	0.8
105.05764	2.2
106.06548	5.8
107.06886	0.2
112.11243	0.1
115.08695	0.6
117.05501	0.2
117.19460	0.1
123.04414	0.1
127.08669	14.5
128.09033	0.4
131.06064	0.4
134.49200	0.1
135.04431	0.1
141.06578	100.0
142.06998	2.5
147.04378	0.2
148.11212	0.4
155.11716	0.2
157.13338	1.8
163.03896	0.2
169.13356	8.4
170.13757	0.2
175.03934	0.1
188.58104	0.1
211.05487	0.1
228.15915	0.1
231.14340	0.1
238.46423	0.1
246.12367	7.6
247.12680	0.3
253.10205	0.2
288.17038	11.9
289.17419	0.8
335.49817	0.1
368.16364	11.8
369.16669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37307	4.1
53.03930	8.3
55.05515	25.8
57.07067	10.5
58.91046	3.8
65.40753	3.6
65.60604	3.9
66.68513	4.0
67.05506	40.1
69.03425	11.9
69.07059	26.3
69.67119	19.0
69.67525	8.9
71.04990	8.0
73.17716	4.1
79.05499	34.0
81.07058	62.3
83.05046	4.5
83.08572	9.6
85.06549	6.3
85.10188	4.9
91.05485	64.2
93.07048	76.6
95.04974	37.4
95.08601	57.3
97.06527	12.0
103.05447	7.5
105.07024	100.0
107.04898	4.1
107.08587	60.2
109.06527	15.6
109.10164	36.5
117.07047	21.4
119.08580	96.4
121.06483	9.6
121.10123	51.8
123.08088	9.5
123.11712	16.7
128.06230	9.8
129.06985	15.2
130.07785	4.2
131.08589	55.4
133.10144	56.5
135.08067	18.9
135.11700	15.0
141.07011	6.5
142.07784	18.1
143.08574	47.8
144.09363	12.6
145.10120	60.0
146.07277	6.7
147.08093	9.5
147.11678	17.4
149.09607	13.6
149.13234	5.5
153.07091	4.9
155.08557	11.0
156.09341	10.3
157.10114	49.4
158.10997	5.9
159.08078	7.3
159.11671	30.9
161.09613	34.9
161.13254	10.3
165.07053	7.6
168.09229	4.6
169.10143	17.9
170.10931	9.0
171.11664	25.4
173.13255	24.1
173.17963	4.3
175.11194	4.7
175.14772	22.1
179.08594	11.4
180.09396	8.2
181.10158	13.4
182.10822	6.7
183.11719	21.8
184.12488	7.2
185.13309	14.6
187.14838	9.7
194.10857	7.7
195.11697	15.9
196.12468	5.0
197.13251	18.3
199.11198	7.9
199.14740	10.8
201.12589	4.8
201.16388	7.8
202.19156	4.7
209.13237	21.3
211.14827	14.6
223.14775	6.5
224.15404	4.2
225.16364	6.7
227.14345	16.2
239.17867	6.8
267.17569	4.7
293.21127	5.7
349.25266	7.5
367.26349	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12010	1.8
51.67561	1.7
52.00024	2.0
53.03933	5.8
55.01869	9.8
55.05511	59.5
55.84895	1.8
57.03442	22.9
57.07068	3.4
60.39515	2.1
64.57092	1.9
65.03948	2.0
67.05505	58.0
69.03425	5.9
69.07074	22.3
69.56226	2.2
69.93758	9.4
70.95908	2.7
71.05014	4.2
71.08631	61.4
72.93787	3.1
79.05496	46.9
81.03417	9.3
81.07060	54.5
83.05005	10.2
83.08618	18.8
85.06528	3.5
90.94852	2.2
91.05476	26.3
93.07048	34.6
95.04990	13.4
95.08601	33.4
97.06515	6.3
97.10177	33.3
99.08092	35.4
105.07033	18.8
107.04969	6.0
107.08598	25.3
109.06509	6.4
109.10152	23.6
111.08087	7.2
111.11668	2.3
117.00537	1.9
117.07018	8.8
119.05010	2.2
119.08571	12.5
121.06526	7.3
121.10146	8.6
123.08034	2.8
123.11708	5.3
125.09631	30.0
127.11192	2.3
129.07019	4.4
131.08539	9.9
133.10153	13.3
135.08017	7.1
135.11696	7.7
137.09631	2.9
139.11203	2.9
141.06705	2.1
145.10164	5.9
147.04373	5.4
147.11700	5.9
149.13211	5.2
151.11148	3.9
151.14812	2.3
153.09084	3.5
157.10176	3.2
159.08080	2.5
159.11711	6.5
161.09650	2.3
165.12807	8.3
171.10011	2.3
173.44971	2.0
174.98950	2.3
177.12766	6.2
177.54781	2.4
181.12221	2.3
183.11708	2.8
189.00591	2.6
189.11241	20.0
191.14264	3.5
193.12259	2.9
195.13858	3.1
197.13631	2.2
203.02052	2.9
247.20566	2.9
259.06219	3.7
267.15900	2.7
275.20081	24.1
276.20691	2.9
293.21130	100.0
294.21417	4.2
349.14670	8.9
367.15820	5.8
367.25259	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01873	5.1
55.05510	24.0
56.96545	2.3
57.03439	7.9
57.07056	2.1
59.05007	1.2
65.03936	1.3
67.05502	23.2
69.03434	4.9
69.07065	20.7
70.94865	3.1
71.04969	1.7
71.08631	45.8
79.05490	21.4
81.03420	8.4
81.07053	24.1
83.04977	6.2
83.08620	9.1
91.05480	8.3
93.07050	12.8
93.91753	1.0
94.07412	1.1
95.04461	1.1
95.04980	7.4
95.08604	8.9
97.06526	2.2
97.10172	11.9
97.82983	1.1
99.07484	2.1
99.08091	31.6
105.07037	7.4
107.04930	3.0
107.08583	12.4
109.06503	3.6
109.10173	7.2
111.08082	2.0
112.92288	1.2
117.07000	4.0
119.08583	4.0
121.06490	4.2
121.10120	4.0
123.08054	1.5
125.09643	9.5
129.06978	1.3
131.08592	2.6
133.10130	3.6
135.08038	2.0
135.11673	2.9
137.09598	1.6
139.11195	2.3
141.06641	1.6
145.10150	2.5
147.04358	2.2
147.11711	2.2
149.09596	2.3
149.13255	3.1
150.49677	1.1
151.11139	2.3
157.10071	1.1
159.11655	2.4
163.11151	2.0
167.10664	3.6
171.10240	1.0
172.64110	1.0
173.11765	1.5
173.13196	1.2
175.11299	1.1
177.12761	3.6
189.11182	5.8
193.12134	1.7
195.13737	2.0
242.47029	1.3
257.19092	1.3
269.10535	1.7
275.20050	11.6
293.21100	100.0
294.21448	4.4
311.09109	1.5
367.15509	2.2
367.21030	1.4
367.24832	22.2
368.25018	1.9
386.18362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
55.01867	22.4
55.05512	41.8
57.03435	25.4
57.07069	6.8
57.29031	1.8
65.03926	4.1
67.05504	100.0
69.03419	6.1
69.07061	23.4
69.61729	2.6
69.62142	10.6
71.04989	9.3
71.08640	13.0
79.04774	2.0
79.05493	58.0
81.03418	15.5
81.07054	89.5
83.04983	17.7
83.08622	18.8
84.08939	1.6
85.02908	2.7
85.06537	8.6
85.10165	2.9
91.05477	79.8
93.07043	51.7
95.04966	29.8
95.08604	39.7
96.21743	1.7
97.02863	4.9
97.06510	8.9
97.10173	4.9
99.04475	2.8
99.08080	9.3
105.07027	63.7
107.04951	15.2
107.08596	43.9
109.06500	11.4
109.10151	52.7
111.04447	3.4
111.08077	5.9
113.09659	2.4
117.07001	11.0
119.08571	20.3
121.06522	7.3
121.10143	12.1
123.08074	13.2
123.11716	14.4
125.09634	11.8
127.07552	2.8
128.06154	2.5
129.07007	2.7
131.08566	14.7
133.10129	83.5
134.10443	2.6
135.08066	5.0
135.11682	10.8
137.09622	13.4
139.11194	2.1
141.09190	1.6
142.14711	1.7
143.08549	3.6
145.06581	2.2
145.10100	13.4
147.11703	7.6
149.09619	7.6
149.13274	3.5
151.11182	43.8
156.25974	1.5
157.10196	1.7
159.11700	7.2
161.09561	2.1
161.13264	4.0
163.11180	11.7
163.14774	3.6
165.09105	3.1
165.12743	2.5
169.12227	4.9
171.11777	2.4
173.09682	2.1
173.13228	3.0
175.11191	1.8
176.17697	1.7
177.12755	4.7
179.10667	2.5
183.11752	2.0
185.44830	1.5
189.12746	2.1
191.14342	3.0
193.12286	2.6
195.13814	3.6
215.18127	1.7
229.19559	3.5
237.85014	1.8
247.20551	7.3
253.14360	5.2
257.19067	4.3
275.20151	27.9
293.21085	14.7
349.23633	3.2
367.24954	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01857	5.7
55.05512	23.3
57.03432	8.9
57.07069	1.6
59.04993	1.2
61.02918	4.9
67.05173	2.1
67.05505	24.8
69.03413	4.4
69.07069	24.6
71.04974	2.2
71.08635	31.2
73.02919	2.4
79.05490	17.2
81.03416	3.3
81.07055	21.8
83.04980	4.4
83.08615	7.6
85.02902	5.6
91.03938	4.8
91.05460	8.0
93.07037	13.8
95.04970	6.7
95.08597	10.8
97.02892	4.2
97.06496	2.7
97.10165	10.1
98.21515	3.5
99.08092	25.0
105.07030	5.2
107.04968	3.6
107.08566	7.9
109.06519	2.5
109.10166	6.0
111.08040	2.2
116.36752	1.3
117.06990	2.0
119.08596	3.7
121.06535	4.0
121.10165	4.7
125.09636	8.3
131.08543	2.8
133.10130	4.4
135.08052	3.7
135.11714	2.6
139.11192	1.7
140.98415	1.9
145.10101	3.0
149.13234	3.9
151.11200	2.4
159.11586	1.6
163.11275	2.1
165.12756	2.1
167.10751	4.5
177.12715	3.0
189.11215	4.6
227.10625	1.6
247.20508	2.3
275.20032	9.4
293.21109	100.0
294.21530	3.9
349.23810	1.7
367.24863	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.1
55.01883	19.1
55.05511	42.8
55.71189	2.7
56.96553	9.9
57.03439	23.8
57.07077	9.5
59.05005	3.4
59.29074	2.9
65.03932	3.6
67.05506	100.0
69.03426	8.5
69.07072	32.6
69.48090	26.4
71.04981	8.5
71.08624	14.5
79.05492	50.4
80.05006	4.6
81.03413	16.3
81.07056	90.7
83.04979	14.3
83.08623	19.3
85.02907	3.6
85.06564	7.0
85.10181	4.0
91.05478	72.5
91.44991	3.3
93.07048	55.9
95.04958	23.7
95.08616	47.4
97.02866	5.1
97.06544	13.7
97.10168	9.3
99.08072	11.5
105.07031	53.3
107.04950	18.7
107.08593	55.6
107.60600	3.4
109.06531	10.9
109.10163	45.7
111.08112	6.5
113.09649	2.9
116.98531	6.5
117.07025	9.3
119.08553	22.7
121.06513	7.7
121.10150	13.5
123.04398	4.1
123.08061	10.3
123.11723	10.4
125.09644	13.7
127.07564	3.2
129.07053	6.5
131.08565	15.9
133.09116	4.7
133.10130	75.3
134.10432	3.8
135.08090	6.7
135.11752	15.9
137.05934	3.1
137.09615	15.7
141.06715	3.8
143.08565	4.7
145.06494	3.6
145.10112	16.8
147.04402	14.0
147.11684	10.2
149.09616	13.9
149.13370	5.5
151.11194	37.5
157.10120	4.7
159.11723	9.1
161.09578	3.7
161.13298	5.1
163.11185	12.9
163.14789	4.5
164.61543	4.4
169.10185	5.3
169.12187	5.6
171.11769	4.8
173.13281	6.7
177.12833	8.4
189.11261	3.8
209.11748	3.4
229.19473	4.4
247.20567	7.3
253.14342	4.5
257.19070	4.3
259.08679	5.9
275.20047	42.2
286.76794	2.9
290.81406	3.3
293.21103	13.4
349.24304	4.8
367.18201	3.3
367.24628	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39788	2.2
52.86009	2.2
53.03938	5.4
55.01866	7.7
55.05512	27.6
57.03444	17.1
58.52916	2.7
61.77054	2.0
65.03944	3.9
67.05173	3.8
67.05507	52.8
69.03433	8.6
69.07066	23.2
69.80904	12.2
71.04984	3.4
71.08630	5.3
79.05059	3.8
79.05499	47.0
81.03416	3.7
81.07060	100.0
83.04981	9.4
83.08619	12.8
85.06521	5.4
91.05481	38.6
93.07050	41.8
95.04977	16.6
95.08617	32.5
97.06537	14.3
97.10189	7.7
99.08042	5.3
105.07036	37.3
107.04945	6.9
107.08609	29.3
109.06519	10.6
109.10151	18.1
111.08087	5.0
117.07007	9.8
119.04964	2.4
119.08588	32.1
121.06485	4.2
121.10125	18.2
123.08053	7.0
123.11700	8.2
125.09618	4.5
131.08597	14.4
133.10129	25.0
135.08067	9.2
135.11688	9.2
137.09615	4.4
139.11201	3.2
141.06993	2.9
143.08620	3.2
145.10101	14.3
147.04382	3.0
147.11681	19.1
149.01259	2.4
149.09633	11.1
149.13283	7.1
151.11249	3.6
155.08539	3.1
157.10101	3.5
159.11731	7.7
161.09639	2.7
161.13324	3.3
163.11188	7.8
165.12794	6.8
171.11661	2.9
173.13277	5.1
175.11211	3.1
229.19415	3.0
247.20660	6.3
257.19086	6.2
269.17450	6.1
275.20056	44.2
275.22794	4.3
285.63651	5.6
293.21100	16.6
349.23837	10.6
367.25055	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01875	14.2
55.05508	28.1
55.97437	2.4
57.03444	21.1
57.07050	3.0
62.93387	2.1
65.72051	2.2
67.05502	56.1
69.03418	6.2
69.07070	31.0
69.73706	2.2
70.25516	5.8
70.25907	5.3
71.04981	3.7
71.08620	5.0
75.38810	2.2
75.51714	2.3
76.11817	2.9
78.29212	2.1
79.05488	49.9
81.03410	3.5
81.07054	100.0
83.04961	7.6
83.08604	14.5
85.06543	3.8
91.05478	42.8
93.07045	45.4
95.04982	11.4
95.08606	41.8
97.06516	18.6
97.10150	10.8
99.08078	7.0
103.35274	2.4
105.07036	34.4
107.04945	7.9
107.08591	33.0
109.06504	10.8
109.10148	21.9
111.08074	5.0
117.07014	12.6
119.08572	25.7
121.06493	6.3
121.10152	16.9
123.08083	7.2
123.11696	6.7
125.09615	8.0
129.06998	4.7
131.08578	13.5
133.10133	23.6
135.08052	7.5
135.11684	9.4
137.09619	4.9
137.13153	2.6
141.06935	2.7
143.08551	3.9
145.10117	15.7
147.11681	17.3
149.09630	17.8
149.13246	6.2
151.11185	2.9
157.10101	4.3
159.11687	10.1
163.11230	6.4
165.12717	5.3
171.11612	4.3
173.13312	5.0
177.12697	4.1
183.11604	2.4
187.11130	2.4
189.11235	7.7
247.20490	6.7
252.86902	2.6
257.19220	4.7
265.21716	3.6
269.17560	4.8
275.20053	46.9
293.21066	13.9
341.31812	2.6
349.23712	8.9
367.19937	3.8
367.24686	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36005	0.8
53.03932	4.2
55.01871	8.8
55.05513	32.1
57.03439	13.3
57.07062	1.5
61.02914	0.9
65.03941	1.3
66.10262	0.7
67.05507	42.6
69.03418	3.3
69.07071	31.8
71.04987	2.1
71.08635	28.4
71.32735	1.9
77.88347	0.9
79.05494	29.0
81.03412	6.1
81.07059	36.8
82.07381	1.0
83.04985	9.6
83.08620	10.1
85.02886	1.0
85.06542	2.7
91.05486	22.8
93.07049	21.9
95.04970	14.7
95.08607	18.0
97.06538	6.0
97.10179	10.5
99.08101	21.1
105.04569	1.1
105.07040	18.9
106.07361	0.9
107.04964	6.4
107.08597	20.4
108.05749	1.2
109.06538	5.2
109.10155	17.0
111.04434	2.2
111.08087	2.1
111.11696	1.3
115.05475	1.4
117.07020	5.1
119.04967	1.1
119.08582	8.3
121.06515	4.2
121.10136	8.7
123.08073	3.9
123.11713	4.8
125.09632	9.5
125.24943	0.8
129.07008	2.0
131.08559	5.3
133.06441	1.3
133.10127	19.0
134.57507	0.9
135.08058	2.9
135.11708	6.5
137.09613	5.3
139.11200	1.9
143.08585	2.2
145.10112	5.0
147.04431	1.7
147.11708	5.0
149.09630	6.4
149.13281	4.0
151.11200	10.5
153.09155	1.2
153.12718	1.3
155.30103	0.8
157.10143	1.1
159.11717	3.8
161.09641	1.4
161.13240	1.6
163.11168	5.4
165.12764	3.6
167.10725	4.8
173.11856	1.5
173.13239	1.8
177.12738	4.0
179.14110	1.1
183.11690	1.0
187.14772	1.0
189.11258	2.4
191.14357	1.5
223.13333	1.0
227.12830	1.1
239.18169	0.9
247.20561	5.3
253.14442	1.8
257.18942	2.1
265.21664	2.1
275.20053	20.0
293.21121	100.0
294.21555	5.2
349.23773	3.3
367.20511	1.7
367.24841	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01871	12.5
55.05513	31.0
57.03441	19.0
57.07059	1.7
59.22287	1.8
63.78838	2.1
65.03935	4.2
67.05503	65.1
69.03438	6.3
69.07066	27.0
70.09641	9.9
71.04990	4.2
73.97362	1.7
75.38393	2.4
77.98363	1.9
79.05495	59.5
80.04842	1.9
81.03425	5.3
81.07056	100.0
82.12885	1.8
82.42805	2.0
83.04990	9.7
83.08617	16.4
85.02917	2.8
85.06564	3.8
91.05476	42.9
93.07047	41.0
95.04977	12.2
95.08604	37.6
97.06516	16.5
97.10178	4.5
97.21025	2.1
99.08076	5.5
105.07032	38.0
105.07679	2.8
107.04955	10.6
107.08600	30.6
109.06500	11.5
109.10159	21.5
111.08073	5.2
114.36262	2.3
117.07018	10.4
119.04961	2.3
119.08586	31.0
121.06514	4.1
121.10133	17.9
123.08064	6.6
123.11696	8.0
125.09668	6.8
129.07019	4.7
131.08578	14.6
133.10139	32.3
135.08047	5.4
135.11719	11.4
137.09642	6.0
145.10127	15.6
147.04332	2.8
147.11693	20.8
149.09621	19.2
149.13245	8.5
150.42859	2.1
151.11176	6.6
157.10120	4.9
159.11691	10.0
161.09605	3.9
161.13252	4.8
163.11195	9.9
165.12730	4.2
169.10129	2.9
171.10187	3.0
171.11652	4.2
173.13268	5.6
175.11145	2.5
177.01765	1.9
177.12872	3.3
185.13246	2.4
187.11134	2.0
189.11241	4.7
197.13290	2.9
229.19524	4.9
235.41574	2.0
239.18112	2.4
245.13652	2.2
247.20667	6.3
251.20003	2.8
257.18979	9.5
263.19974	2.3
269.17258	2.8
275.20044	46.4
293.21133	6.2
308.22375	2.4
309.52945	1.8
349.23764	9.7
367.24933	15.7
368.24539	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	367.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49843	0.8
55.01854	0.8
57.03417	1.0
61.02902	2.2
69.03420	3.5
69.79694	1.3
69.80109	4.9
77.60690	0.7
79.16270	0.9
80.81712	0.7
81.03407	1.7
84.35159	0.7
85.02901	10.9
91.05456	0.9
93.03700	1.1
97.02899	2.3
99.04444	1.0
109.02878	0.8
110.07153	1.1
115.05445	2.0
117.07011	0.8
118.06543	13.7
123.04389	0.9
127.03872	2.1
130.06516	6.8
132.08112	8.7
134.03577	1.1
135.04419	1.8
142.06522	2.3
143.07300	5.0
144.06989	1.6
144.08076	18.4
144.89430	0.8
145.07611	2.2
146.06009	47.1
154.06418	1.1
156.08072	11.6
158.06003	1.6
158.09625	2.1
159.09196	3.0
160.07584	5.1
161.02301	0.9
163.03931	5.8
167.07082	1.5
168.08070	5.2
170.05994	6.3
172.07530	1.0
178.04999	3.2
182.05995	1.2
183.79968	0.8
184.07591	5.1
186.05450	1.4
186.09119	1.3
188.07068	100.0
189.07359	1.9
192.07793	1.1
193.04990	1.0
202.08647	3.4
205.09734	29.9
206.04474	3.5
217.09746	1.8
229.09741	3.2
230.08133	32.2
231.06328	1.1
247.10851	9.3
258.11301	2.5
276.12350	1.4
313.11749	0.8
331.12814	3.3
332.11316	5.9
349.13947	1.5
350.12292	13.3
367.05991	1.1
367.10425	3.1
367.14993	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22020	0.4
65.03944	1.0
69.03426	0.8
71.04443	0.7
71.04806	0.4
72.08128	0.3
84.04460	0.3
91.05480	12.6
99.04469	0.4
111.36672	0.4
119.04946	26.7
130.06520	4.0
132.04465	0.9
147.04411	100.0
148.04779	2.3
153.50368	0.3
157.07622	6.1
158.06064	2.3
159.09245	1.0
163.09677	0.4
175.08688	4.5
185.07092	0.7
190.09836	2.1
191.08179	2.9
201.06618	0.9
203.08157	16.2
220.63560	0.4
221.09221	3.9
231.15833	0.6
232.37689	0.4
234.11920	0.4
253.14296	0.4
293.19324	2.2
306.14575	1.3
310.44528	0.4
324.15387	0.6
349.11865	1.3
367.11957	0.5
367.16083	1.3
367.23068	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	367.1288
Annotation	N,N-Didesmethylgrossularine 1
Peak:m/z	Relative Intensity
51.60872	0.1
54.27509	0.2
55.05507	0.2
59.04993	0.6
60.01326	0.1
65.03929	1.2
67.05492	0.2
68.86681	0.2
69.39847	0.9
69.40269	0.6
71.05000	0.2
79.05495	0.2
80.13795	0.1
81.07057	0.3
91.05479	14.2
93.07079	0.2
105.07017	0.2
105.93401	0.1
107.08551	0.2
113.43061	0.2
119.04939	30.8
120.05264	0.5
130.06529	4.1
131.06796	0.2
132.04440	0.9
136.06174	0.5
146.06067	0.4
147.04405	100.0
148.04762	2.1
150.44618	0.2
157.07614	4.8
158.05994	2.1
159.09201	0.7
175.08662	4.2
185.07120	0.6
200.17235	0.2
201.06580	0.2
203.08150	11.3
204.08298	0.2
221.09215	4.3
335.09048	0.2
349.11707	0.6
349.20291	0.2
367.11957	0.3
367.21643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05490	0.6
65.03944	0.9
67.05508	0.8
69.03427	1.8
69.07074	0.6
69.76343	3.3
70.06583	0.5
71.04989	0.6
78.50620	0.4
79.05495	0.7
81.03446	0.6
81.07056	1.4
83.04977	0.6
83.05450	0.5
85.02901	2.1
86.03257	0.6
87.00826	1.1
91.05479	12.7
93.07045	1.0
95.04990	0.9
95.08595	1.0
97.02879	0.7
99.04497	0.6
105.01841	1.4
105.07051	0.7
107.04968	0.8
107.08609	1.2
109.02887	0.7
109.10172	0.8
119.04940	30.7
119.08562	0.8
121.06534	1.0
121.10148	0.7
123.04416	1.3
127.03922	0.8
128.26010	0.5
130.06534	8.1
131.08569	1.0
133.10051	0.7
136.06160	2.3
137.06667	0.5
147.04407	100.0
148.04759	1.7
149.09584	0.5
157.07610	22.5
158.06081	0.9
167.07001	0.5
175.08749	0.6
185.07098	1.5
203.08151	64.2
204.08423	1.5
229.08476	0.6
271.05893	0.7
279.11169	2.2
321.12271	1.2
335.09012	0.7
349.11789	13.9
367.11871	1.6
367.21939	0.8
379.63379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01864	4.9
55.05510	39.0
56.05030	2.4
57.07071	2.7
59.04998	2.1
60.04512	2.6
65.03940	1.5
67.05499	20.4
68.05011	2.3
69.03425	3.3
69.07052	8.7
71.08613	2.0
71.59447	2.9
79.05489	21.6
79.34453	1.5
81.03426	2.8
81.07047	25.7
82.06568	3.3
83.04984	5.7
83.08624	15.3
84.08150	8.5
87.05989	1.5
91.05469	12.1
93.07027	12.6
94.06555	4.0
95.04958	15.9
95.08601	12.3
96.04485	3.6
97.10163	29.0
105.07047	7.6
107.04960	7.7
107.08599	15.6
109.06528	2.5
109.10137	5.4
110.06038	1.4
111.08086	4.7
114.80953	1.4
117.06993	3.9
119.08571	5.6
121.06484	2.8
121.10139	3.1
123.11722	2.3
125.09629	21.8
129.06953	1.6
131.08574	3.4
133.10138	2.9
135.08072	4.3
135.11720	3.4
138.12788	3.3
140.14343	29.3
143.08586	1.8
145.10115	4.7
147.08041	1.9
147.11694	2.4
149.09616	4.0
151.11240	2.1
153.09100	3.8
154.12248	10.9
159.11658	2.1
163.11188	8.2
165.12717	3.8
166.12215	1.6
171.56389	1.5
175.11302	1.7
176.81935	1.7
177.12790	5.7
180.13849	3.7
181.12138	1.8
182.15453	7.8
190.52715	1.6
203.12769	4.2
205.12349	2.0
208.13394	2.8
225.25714	1.8
237.14822	2.5
240.16232	2.1
257.18991	3.4
274.21710	12.0
275.20026	14.5
292.22748	16.4
293.21072	2.3
306.24268	22.4
307.22638	40.3
324.25333	26.6
334.23859	10.0
366.26379	100.0
367.26617	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	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01868	7.4
55.05502	3.4
56.12305	1.6
57.03431	6.6
61.02912	6.1
67.05497	2.4
67.50491	1.3
68.99789	2.6
69.03428	34.0
69.28322	17.4
70.06590	1.7
71.04990	5.4
73.02914	6.8
76.93856	1.4
79.05495	3.4
81.03416	25.6
81.07045	3.6
85.02899	93.5
87.00826	38.2
91.05483	13.7
93.07046	2.4
95.08606	2.7
97.02885	27.4
99.04449	14.6
105.01859	53.1
105.07031	2.5
107.04892	1.7
107.08607	2.9
108.04478	3.9
109.02884	23.8
111.08067	2.4
117.01855	2.3
119.04926	34.4
121.06526	1.6
123.04399	2.5
127.03913	59.3
128.04289	1.8
129.01840	2.7
130.06532	6.6
136.06177	75.1
137.04552	2.0
139.07506	2.6
141.09134	2.2
144.78410	1.5
145.04964	31.1
145.58499	1.6
147.04401	100.0
157.07597	19.8
158.06018	2.3
159.02856	14.3
189.04030	3.0
203.08142	69.5
206.60684	1.7
209.11746	2.4
218.58690	1.7
227.13390	1.7
231.04976	15.8
249.06107	3.2
250.45232	1.6
279.11099	2.0
295.11798	2.8
348.20355	7.9
349.11865	12.2
366.21445	17.3
367.12109	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05515	2.1
57.03451	0.6
57.07072	2.9
67.05499	2.5
69.03420	0.7
69.07062	1.6
70.14092	1.8
72.44022	0.4
79.05487	1.9
81.07066	2.7
83.04977	0.6
83.08612	0.5
85.06546	0.9
87.64035	0.4
91.05486	3.0
92.32993	0.4
93.07059	2.7
95.04960	2.0
95.08601	2.6
97.06562	0.9
97.10161	0.4
105.07023	2.8
107.08589	1.9
108.59667	0.4
109.06525	2.5
109.10160	1.5
117.07034	0.9
119.08572	2.4
121.06509	0.6
121.10136	1.1
123.08063	4.2
123.11665	0.5
124.08843	2.1
129.06976	1.0
131.08601	1.1
133.10179	1.9
135.08054	1.1
135.11655	0.4
137.06004	0.6
137.09628	0.5
138.06627	0.4
139.07454	0.5
142.07751	0.6
143.08586	1.1
144.09416	0.4
145.10129	1.5
147.11653	0.7
151.07544	4.5
151.11220	0.7
152.08311	7.4
155.00623	0.4
156.09363	0.5
157.10184	2.0
159.07967	0.4
159.11696	1.5
161.09604	0.6
161.13268	0.7
165.06982	0.4
165.09100	10.0
165.51462	0.4
169.10112	0.9
171.11702	0.8
173.09683	0.4
173.13307	0.5
177.09111	0.5
177.12730	0.5
179.08548	0.4
179.10661	2.2
181.10071	0.4
181.12296	0.8
183.11719	1.0
185.13271	1.4
187.11113	0.6
194.13036	3.2
195.11734	1.1
195.13734	0.6
196.12518	0.4
197.13202	0.5
207.11880	0.9
207.13837	2.0
208.12469	0.5
209.13188	0.7
211.14865	0.4
213.12738	0.7
213.86804	0.4
221.13242	0.9
222.13863	0.5
223.14873	0.5
235.16966	0.6
237.16362	0.5
247.25011	0.4
249.18581	0.9
263.20148	1.6
265.19601	0.4
291.19705	1.1
319.26273	1.4
347.25827	18.7
348.26346	0.6
351.18692	0.4
365.26895	100.0
366.27286	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01862	2.2
55.05524	9.0
57.03423	2.0
57.07058	4.9
61.72975	1.4
67.05503	10.8
69.03426	1.8
69.07069	6.8
69.88310	1.2
71.59431	2.3
79.05484	11.3
79.58698	1.3
81.03308	1.3
81.07062	13.0
83.04958	2.0
83.08619	2.6
85.06522	3.1
91.05479	13.1
93.07038	13.1
95.04958	16.0
95.08624	10.8
97.06548	3.2
102.96805	1.5
105.07034	16.3
107.08576	11.7
109.06529	5.4
109.10164	6.8
111.40277	1.2
117.07009	3.9
119.08586	20.0
121.06535	2.7
121.10118	6.8
123.08051	5.9
123.11707	1.8
123.71508	1.5
128.06236	3.1
129.07007	4.0
130.07758	1.9
131.08589	7.8
133.10130	8.8
135.08058	6.1
135.11659	3.5
137.09546	2.7
141.07002	1.7
142.07791	6.7
143.08574	9.2
144.09346	2.2
145.06386	1.3
145.10126	9.5
147.08047	3.1
147.11765	2.9
151.07559	5.2
152.08321	4.7
153.07008	1.7
154.07759	1.7
155.08531	5.8
156.09337	5.6
157.10161	10.6
159.08002	1.8
159.11693	10.8
161.09604	3.4
161.13316	1.6
165.06934	2.4
165.09099	12.4
167.08482	2.9
169.10103	6.7
170.10864	2.6
171.11659	6.8
173.09595	2.0
173.13261	3.3
179.08583	3.0
179.10658	2.3
180.09314	2.7
181.10114	6.4
182.10873	3.9
183.11668	8.8
185.13271	12.7
187.11195	5.0
187.14861	3.1
192.09354	2.5
193.10161	4.5
194.10980	3.0
194.13023	2.7
195.11705	10.1
196.12558	2.0
197.13181	7.2
199.14902	2.6
201.12881	1.6
203.05298	1.8
206.11006	2.5
207.11723	4.8
208.12463	3.9
209.13272	7.7
210.13931	2.1
211.14763	4.4
213.12820	3.4
219.11826	1.7
220.12442	1.8
221.13229	8.8
221.15248	2.4
222.14095	2.6
223.14909	3.6
224.15477	1.6
225.16330	1.5
231.11604	1.5
235.14778	3.4
237.16380	4.5
239.18034	1.5
246.13962	1.5
247.14827	2.9
249.16325	3.8
250.17096	1.6
251.17979	3.8
259.14447	1.6
261.16495	1.8
263.17706	2.0
263.20169	3.3
265.15924	2.7
265.19366	2.1
281.18976	2.5
291.19708	3.5
309.18512	1.6
347.26117	33.3
365.27136	100.0
366.27112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77865	4.0
52.36468	4.2
53.03936	6.7
55.01875	5.7
55.05515	25.6
57.03442	7.3
57.07050	4.3
65.03941	4.6
65.27574	4.8
67.05505	46.6
69.03418	10.5
69.07066	30.7
70.63320	11.3
79.05488	45.8
81.03432	4.4
81.07064	49.4
83.04987	7.0
83.08620	7.0
85.02920	4.8
85.06558	9.1
87.81391	4.7
91.05492	55.9
93.07047	64.3
93.86552	4.3
95.04971	46.2
95.08613	47.4
96.26255	4.4
97.06543	13.5
105.05556	4.3
105.07032	75.8
107.04910	4.1
107.08599	49.2
109.06512	10.5
109.10165	29.2
115.05445	4.8
117.07039	17.7
119.08585	62.5
121.06548	10.8
121.10153	43.8
123.08086	7.8
125.09655	4.6
128.06235	13.0
129.06993	22.7
131.08565	44.5
133.06421	5.1
133.10155	31.1
135.08080	15.5
135.11708	12.4
141.07024	10.0
142.07755	11.6
143.08568	33.1
144.09363	6.3
145.10127	51.3
147.08081	5.6
147.11690	18.6
149.09583	10.3
155.08574	17.4
156.09328	12.8
157.10123	42.6
158.10939	5.3
159.08109	5.9
159.11642	26.6
161.09598	19.1
161.13297	9.1
163.11255	7.6
165.06987	7.0
167.08606	10.1
167.10553	4.5
168.09344	5.6
169.10130	27.8
170.10909	5.9
171.11696	32.7
173.09688	12.4
173.13269	40.8
175.11150	8.2
175.14854	8.4
177.12787	5.9
178.07722	4.8
179.08591	13.5
180.09384	7.2
181.10097	20.1
182.10919	7.4
183.11714	22.6
185.13284	18.1
187.11172	6.0
187.14833	9.6
189.12675	6.1
191.14368	20.1
192.09364	13.0
193.10184	14.8
194.10989	6.1
195.11697	21.8
196.12511	8.9
197.13271	18.8
198.96852	4.7
199.14803	8.8
201.12772	7.9
203.14465	6.2
205.10272	5.9
206.10947	7.4
207.11696	18.7
208.12508	13.6
209.13263	19.1
211.14847	11.9
213.12891	9.7
219.11713	13.2
220.12465	6.8
221.13281	22.7
222.14059	5.8
223.14893	11.8
225.12733	10.1
225.16438	6.3
229.15959	6.5
233.13164	9.9
234.14140	6.2
235.14879	10.5
237.16396	8.4
239.14362	10.6
241.08606	7.1
245.13431	4.7
247.14816	12.7
249.16423	15.5
251.18033	9.6
253.15991	5.2
255.17545	7.7
259.14871	6.0
263.17923	14.9
267.17422	9.2
269.19009	9.2
273.18719	7.7
273.22092	6.5
277.15945	6.4
281.19040	10.8
291.19803	11.8
297.18503	5.7
347.23596	29.8
365.24896	100.0
373.53577	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Lineolon
Peak:m/z	Relative Intensity
53.03943	3.0
55.01872	7.9
55.05510	39.0
57.03427	10.4
67.05507	38.0
69.03432	14.1
69.07067	39.0
70.15992	7.8
77.03899	1.8
79.05491	27.2
81.03426	7.0
81.07056	21.8
82.65837	1.7
83.04990	5.0
83.08625	10.1
91.05480	16.1
93.07047	20.4
94.42801	1.6
95.04969	10.4
95.08607	11.7
97.02890	19.3
97.06590	2.2
97.10173	19.7
105.07027	10.5
107.04960	7.6
107.08607	13.3
109.06540	3.3
109.10163	11.9
111.08096	1.9
115.05489	1.6
116.06187	1.6
117.07007	9.6
119.08566	12.5
121.06532	1.9
121.10140	5.1
123.08098	4.3
125.09623	18.1
129.06992	4.1
131.08574	3.8
133.06480	3.6
133.10158	4.6
135.08073	6.1
135.11661	2.8
137.09624	3.5
145.10138	6.6
147.08081	3.1
147.11714	3.7
157.10121	1.9
159.11717	3.0
160.07001	1.8
161.09517	2.5
161.13344	2.4
163.11191	2.3
163.69949	1.8
165.09151	1.7
171.11632	1.9
189.11253	5.5
193.76997	2.0
195.13803	2.6
205.12224	2.6
223.13261	40.4
273.18594	13.5
291.19531	100.0
292.19803	3.1
347.22775	2.2
365.23227	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.0
55.01862	18.6
55.05508	39.5
56.74027	2.5
57.03434	26.5
57.07050	3.9
65.03914	6.2
67.05502	94.9
69.03418	10.2
69.06731	2.2
69.07066	32.9
70.05312	11.5
70.05599	3.6
71.04980	11.4
74.13575	1.8
79.05492	78.2
81.03405	15.6
81.07053	100.0
83.01307	2.1
83.04981	21.4
83.08612	10.3
85.06519	9.4
91.05479	89.7
93.07037	74.6
95.04958	28.2
95.08603	37.4
97.02882	4.4
97.06529	11.0
97.10126	5.3
98.21493	3.0
103.05428	2.9
104.13982	2.2
105.07023	81.5
107.04955	26.7
107.08581	55.2
109.06528	15.5
109.10150	48.6
111.04447	4.9
111.08086	10.6
115.05444	5.8
117.07027	20.7
119.08582	24.5
121.06529	15.4
121.10143	17.9
123.04427	3.2
123.08059	6.1
123.11688	8.3
125.09666	3.5
128.06210	2.9
129.07002	10.2
131.04900	2.3
131.08545	32.0
133.06497	21.2
133.10127	85.9
135.08058	21.3
135.11678	9.3
137.09589	5.2
139.07529	4.9
143.08557	9.5
144.05351	1.9
145.10155	13.0
147.08035	8.9
147.11662	6.6
149.09622	24.5
149.13254	3.0
151.11172	43.2
155.08609	2.3
157.10110	8.7
159.08031	9.1
159.11711	4.7
161.09651	15.3
161.13240	5.1
163.11133	5.0
169.12212	7.4
171.11655	6.3
173.13264	3.1
175.11192	8.9
177.09151	11.1
177.12764	3.7
179.10652	5.1
185.13242	4.3
187.11205	2.6
189.12746	6.4
193.12122	3.1
199.11143	2.8
203.14313	2.8
215.12825	3.2
223.13275	4.9
227.17946	4.1
232.01315	2.5
245.19052	14.1
251.12901	2.6
253.14333	17.8
255.17661	3.8
263.20096	12.5
269.13818	4.2
273.18481	37.5
291.19531	29.1
309.20377	3.4
347.22195	4.2
365.23141	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Lineolon
Peak:m/z	Relative Intensity
53.03953	10.0
55.01862	18.6
55.05508	39.5
56.74027	2.5
57.03434	26.5
57.07050	3.9
65.03914	6.2
67.05502	94.9
69.03418	10.2
69.06731	2.2
69.07066	32.9
70.05312	11.5
70.05599	3.6
71.04980	11.4
74.13575	1.8
79.05492	78.2
81.03405	15.6
81.07053	100.0
83.01307	2.1
83.04981	21.4
83.08612	10.3
85.06519	9.4
91.05479	89.7
93.07037	74.6
95.04958	28.2
95.08603	37.4
97.02882	4.4
97.06529	11.0
97.10126	5.3
98.21493	3.0
103.05428	2.9
104.13982	2.2
105.07023	81.5
107.04955	26.7
107.08581	55.2
109.06528	15.5
109.10150	48.6
111.04447	4.9
111.08086	10.6
115.05444	5.8
117.07027	20.7
119.08582	24.5
121.06529	15.4
121.10143	17.9
123.04427	3.2
123.08059	6.1
123.11688	8.3
125.09666	3.5
128.06210	2.9
129.07002	10.2
131.04900	2.3
131.08545	32.0
133.06497	21.2
133.10127	85.9
135.08058	21.3
135.11678	9.3
137.09589	5.2
139.07529	4.9
143.08557	9.5
144.05351	1.9
145.10155	13.0
147.08035	8.9
147.11662	6.6
149.09622	24.5
149.13254	3.0
151.11172	43.2
155.08609	2.3
157.10110	8.7
159.08031	9.1
159.11711	4.7
161.09651	15.3
161.13240	5.1
163.11133	5.0
169.12212	7.4
171.11655	6.3
173.13264	3.1
175.11192	8.9
177.09151	11.1
177.12764	3.7
179.10652	5.1
185.13242	4.3
187.11205	2.6
189.12746	6.4
193.12122	3.1
199.11143	2.8
203.14313	2.8
215.12825	3.2
223.13275	4.9
227.17946	4.1
232.01315	2.5
245.19052	14.1
251.12901	2.6
253.14333	17.8
255.17661	3.8
263.20096	12.5
269.13818	4.2
273.18481	37.5
291.19531	29.1
309.20377	3.4
347.22195	4.2
365.23141	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.6
53.03945	8.8
54.59875	1.7
55.01873	21.2
55.05511	32.7
56.96561	3.4
57.03437	33.0
57.07071	3.1
65.03924	5.4
67.05506	94.0
69.03436	7.1
69.07066	27.5
69.32700	4.3
69.33106	14.7
71.01366	2.9
71.04986	8.1
79.05498	79.6
81.03425	15.2
81.07059	100.0
83.01351	3.1
83.04990	21.7
83.08628	14.1
85.02895	4.3
85.06543	9.4
91.05482	91.6
93.07048	75.1
95.01363	3.1
95.04978	25.4
95.08604	39.5
97.02866	2.4
97.06520	11.1
97.10177	4.3
98.20790	4.0
99.04442	2.1
103.05482	2.1
105.07030	77.3
107.04957	25.2
107.08599	55.8
109.02876	2.0
109.06518	17.8
109.10160	40.2
111.04470	5.5
111.08082	12.6
113.06046	4.4
115.05439	5.4
115.74623	1.9
117.07002	18.8
119.04921	2.2
119.08588	23.3
121.06511	18.0
121.10152	18.0
123.04455	4.7
123.08074	10.8
123.11746	10.4
125.06065	2.2
125.09569	2.2
127.07501	2.6
128.06261	3.3
129.06993	12.3
130.07823	2.0
131.04929	3.1
131.08583	30.1
133.06508	20.3
133.10136	80.8
135.08044	22.5
135.11717	12.5
137.06021	3.9
137.09642	5.7
137.34398	1.9
139.07564	7.0
139.11157	1.8
143.08549	10.0
145.06496	3.8
145.10138	13.5
147.08055	10.3
147.11671	9.4
149.09630	20.6
149.13289	3.7
151.07657	2.2
151.11191	49.0
155.08571	2.3
157.10165	6.4
159.08096	6.1
159.11726	6.8
161.09619	15.2
161.13344	3.4
163.11165	4.7
165.09175	3.4
169.12250	4.5
171.11696	9.7
173.09650	2.3
173.13245	2.8
175.11205	7.4
177.09145	12.0
179.10696	5.5
181.12123	2.1
189.12762	6.8
193.12213	2.3
199.14806	2.5
203.14334	2.0
205.12267	2.2
207.13928	3.1
215.12820	4.5
217.12270	4.0
231.09151	2.4
245.19075	15.0
253.14378	19.4
255.17458	4.5
263.20090	11.9
267.08942	3.8
269.13794	3.9
273.18503	46.2
285.10095	6.0
291.19522	32.9
301.21597	2.1
347.22125	5.6
365.23206	41.6
365.33365	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01868	7.2
55.05265	2.1
55.05513	32.9
56.96554	4.0
57.03442	12.7
59.04981	1.9
67.05174	2.4
67.05507	37.4
67.05865	1.4
69.03431	16.4
69.07069	44.6
70.40422	4.1
70.40813	3.0
71.05014	2.2
73.02900	2.1
79.05494	33.2
79.05957	1.9
81.03437	8.0
81.07057	26.9
83.04967	5.6
83.08622	9.2
85.02890	1.5
86.48191	1.6
91.05484	21.8
93.07042	20.5
95.04971	14.1
95.08613	16.4
97.02905	17.8
97.06521	4.8
97.10172	17.7
98.97640	1.3
105.07030	16.8
107.04958	10.9
107.08601	16.8
109.06503	4.2
109.10147	11.4
111.08086	2.5
116.98676	1.7
117.07008	8.9
119.08578	15.1
121.06520	3.5
121.10117	5.4
123.08054	4.2
125.09612	14.9
129.07013	4.7
131.08588	9.7
133.06541	3.9
133.10123	6.0
135.08058	5.4
135.11682	1.6
137.09587	4.7
143.08559	3.5
145.10121	7.5
147.08044	5.3
147.11661	3.0
149.09608	4.5
149.13251	3.4
153.09142	1.8
157.10114	4.4
159.11711	4.3
161.09657	3.6
161.13274	1.7
163.11172	2.2
165.09108	3.2
175.11160	2.7
179.10576	2.2
185.13187	2.0
189.11263	8.6
189.12729	1.6
195.13855	2.2
205.12227	2.9
223.13274	35.0
227.12659	1.6
229.07428	3.2
245.18970	2.6
247.08614	2.6
263.20062	2.6
267.09131	1.7
273.18536	20.7
285.10165	2.1
291.19537	100.0
365.23193	69.4
366.23447	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01871	5.5
55.05511	7.9
56.96552	1.7
57.03435	52.9
57.07058	2.4
61.75757	0.9
64.50047	0.9
65.03927	2.9
67.05504	46.7
69.03417	2.9
69.07063	6.8
69.25646	8.0
69.26069	1.6
69.36722	1.0
71.04992	5.3
74.51353	0.8
79.05064	1.6
79.05491	24.6
79.10867	0.9
81.03413	3.1
81.07055	23.5
83.04976	3.8
83.08619	3.5
85.02866	1.3
85.06542	37.7
91.05480	22.9
93.07039	21.9
95.04964	57.7
95.08602	14.6
97.02885	2.0
97.06532	4.9
97.10169	1.2
99.04454	1.7
105.04518	1.0
105.07029	17.2
107.04947	9.6
107.08586	15.1
109.06513	49.7
109.10148	6.1
111.04430	1.2
111.08075	2.4
113.06001	100.0
115.05455	2.2
117.07014	11.5
119.08574	11.4
121.06535	5.3
121.10115	5.1
123.08022	4.2
125.09675	1.5
128.06198	1.8
129.06999	5.0
131.08557	14.8
133.06508	3.8
133.10126	5.9
135.08046	36.3
135.11700	7.2
135.72826	0.8
137.09631	2.1
141.07053	1.4
142.07771	1.7
143.08545	8.0
145.06512	1.1
145.10130	10.9
147.08038	4.7
147.11650	3.1
149.09642	6.9
149.13240	3.3
155.08530	1.6
157.10164	4.6
159.08043	2.2
159.11682	4.1
161.09592	9.9
161.13281	2.2
163.07573	1.3
163.11162	3.5
165.05539	4.4
169.10138	1.6
171.11681	3.9
173.09721	0.9
173.13330	4.2
175.11189	2.4
175.14853	1.3
177.12766	2.7
178.15962	1.3
183.11670	3.1
185.09590	1.0
187.11128	1.8
189.16429	1.1
197.13261	1.2
199.11227	2.0
199.14824	3.5
213.12813	1.0
217.15875	14.2
219.13818	1.3
221.11674	5.4
227.17975	2.2
237.16423	1.2
245.19011	2.9
255.17442	2.7
273.18478	23.3
291.19516	27.0
309.07697	0.9
347.18256	1.9
347.22189	1.4
365.19290	15.7
365.23279	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	365.2312
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.57430	1.2
53.03939	3.1
53.95763	1.7
55.01867	6.5
55.05512	8.5
57.03438	12.4
58.04988	1.3
58.39414	1.3
63.19629	1.4
65.03939	1.7
66.43430	1.4
66.78219	1.5
67.05507	23.5
67.40020	1.4
69.03423	2.5
69.07076	7.4
70.98277	1.2
71.04971	5.0
79.05492	25.1
79.94780	1.2
80.91219	1.4
81.03397	2.8
81.07056	24.5
83.04978	6.5
83.08606	4.1
85.06544	5.3
91.05488	22.5
93.07040	20.9
95.04971	16.6
95.08600	8.9
97.02898	2.1
97.06547	2.9
97.10198	1.7
105.07033	19.0
107.04967	5.5
107.08587	13.2
109.06518	11.8
109.10172	12.6
109.82481	1.7
111.04436	2.7
111.08093	2.3
113.06001	12.6
117.07005	6.4
119.08582	8.3
121.06474	4.4
121.10149	6.6
123.08085	2.6
128.06200	1.6
129.06990	2.7
131.08553	8.4
133.06503	4.6
133.10136	15.8
135.08028	10.5
135.11685	3.4
143.08577	2.6
145.10129	3.4
147.08047	3.7
147.11694	3.5
149.09625	5.8
151.11189	7.2
157.10150	3.3
161.09616	4.4
163.11247	2.0
171.11679	2.2
175.11247	2.2
177.09026	2.4
181.12206	1.7
227.17792	2.5
245.18990	2.9
248.61729	1.4
253.14484	3.1
267.14374	2.2
273.18521	12.0
284.12726	6.0
291.19571	14.3
347.22375	3.5
365.23007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.0
55.01871	8.5
55.05509	34.8
56.96534	2.3
57.03433	13.1
59.04972	1.8
61.02906	0.7
65.03904	2.2
67.05502	37.8
69.03425	16.7
69.07065	49.4
70.57929	1.5
70.58313	1.1
71.01318	1.0
71.04958	2.7
73.02897	0.9
79.05489	34.4
81.03415	7.5
81.07053	25.9
83.04980	6.4
83.08616	12.2
85.02869	0.6
85.06509	0.9
91.05479	20.1
93.06492	1.1
93.07040	20.6
95.01289	1.4
95.04384	0.8
95.04964	11.3
95.08600	14.1
97.02308	1.2
97.02889	19.5
97.06539	4.6
97.10168	18.9
98.21445	0.7
98.97536	1.0
99.08074	1.0
103.05457	0.9
105.06388	1.2
105.07029	14.0
105.07687	1.6
107.04943	8.3
107.08586	15.9
109.06475	2.9
109.10152	11.4
111.04443	0.7
111.08045	2.7
115.05429	1.6
116.98586	1.1
117.07014	9.9
119.04909	1.4
119.08572	13.5
120.05750	0.7
121.06471	2.9
121.10126	6.3
123.04401	1.0
123.08086	4.8
123.11665	1.6
123.16210	0.7
125.09630	13.1
128.06201	1.0
129.05452	0.8
129.06981	4.4
130.07751	1.2
131.08565	7.4
133.06519	3.2
133.10118	5.2
135.08038	5.3
135.11650	2.8
137.09604	3.6
141.06966	1.0
143.08533	2.9
143.10701	0.8
145.06435	1.2
145.10138	5.2
147.08023	6.6
147.11674	3.1
149.09598	2.4
149.13200	2.1
151.11122	1.3
153.09047	1.8
157.10100	2.7
159.08026	1.2
159.11723	3.6
161.09587	2.5
161.13214	1.0
163.11139	1.9
165.09091	3.0
169.10083	0.8
169.12230	0.7
171.10202	1.7
171.11624	1.3
173.09579	0.9
173.11752	1.1
173.13242	0.9
175.11142	2.0
177.12718	2.6
177.14218	0.7
179.10629	0.7
181.61617	0.8
185.13199	1.1
187.11070	0.8
189.11211	8.0
189.12724	1.3
193.12257	0.9
195.13828	2.2
199.14771	0.9
205.12201	2.3
217.07419	1.4
223.13280	34.9
224.13591	0.8
227.12793	1.3
227.18076	1.6
229.07405	4.9
241.07513	1.0
245.18945	2.6
247.08549	5.7
249.18420	1.0
255.17400	1.2
259.08557	1.9
263.20120	2.6
273.15814	0.6
273.18488	14.4
275.65372	0.7
284.12589	3.8
284.62994	1.0
285.09995	1.1
287.54742	0.8
291.19519	100.0
292.19968	2.6
331.55923	0.7
347.22168	1.0
365.15643	1.7
365.23148	45.7
366.23578	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01872	11.0
55.05508	28.0
56.96575	2.0
57.03436	59.7
57.07072	2.1
65.03931	5.4
67.05503	79.2
69.03434	8.5
69.07068	48.5
69.26885	1.8
70.84244	1.7
70.84589	5.7
71.04983	6.7
79.05492	49.5
81.03416	7.9
81.07059	45.1
81.90819	1.6
83.04979	7.3
83.08633	9.7
85.02891	1.9
85.06539	42.0
91.04964	3.4
91.05480	38.3
93.07040	38.0
94.04195	1.6
95.04971	62.8
95.08607	21.4
95.66342	1.6
97.02888	9.5
97.06516	7.6
97.10152	10.8
105.07025	27.3
107.04963	12.8
107.08596	30.8
109.06514	46.9
109.10151	12.0
111.08065	3.2
113.06004	100.0
114.06326	1.8
115.05455	3.5
117.07019	14.2
119.08550	16.8
121.06508	4.1
121.10138	14.2
123.04465	2.6
123.08102	5.7
125.09629	7.2
127.07561	5.5
128.06261	2.9
128.98631	2.0
129.07011	7.9
131.08565	18.8
133.06470	4.5
133.10127	14.5
135.08043	34.7
135.11668	9.2
137.09647	3.4
141.06953	2.4
143.08542	9.7
145.06494	1.9
145.10060	10.6
147.08076	7.8
147.11699	7.7
149.01224	3.9
149.09628	8.3
149.13275	3.5
151.03903	2.8
151.11186	2.8
156.50319	2.1
157.10120	8.4
159.08060	3.4
159.11708	8.0
161.09641	11.9
163.11218	3.5
165.09210	2.3
169.10150	2.2
171.11708	4.1
173.09605	2.1
173.13333	5.8
175.11224	5.7
177.00830	2.2
177.12799	4.3
185.01276	1.9
187.14810	2.1
189.00664	2.2
189.11203	4.2
189.16315	2.1
193.12224	2.3
195.39590	1.8
197.13350	2.3
199.14920	5.1
205.12308	2.1
217.15851	15.6
222.16231	1.9
223.13261	10.6
227.17934	3.6
237.16597	2.2
245.19083	6.3
255.17488	4.4
261.14514	1.8
263.20013	2.3
267.08899	2.4
273.18515	34.1
285.09979	3.4
291.19550	82.2
291.22873	4.2
315.11923	1.6
365.19086	2.7
365.23199	29.7
366.23819	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23496	3.4
53.03930	9.4
55.01877	16.9
55.05263	5.0
55.05511	48.2
56.96563	40.5
57.03438	32.1
57.07056	3.7
67.05505	78.8
69.03428	18.6
69.07066	64.6
70.25618	11.2
71.04983	6.7
79.05489	68.0
81.03406	13.3
81.07056	79.1
83.04989	16.6
83.08614	14.6
85.06517	4.7
91.05482	57.4
93.07039	56.4
95.04972	22.9
95.08606	30.8
97.02897	20.6
97.06544	5.4
97.10180	19.8
104.74585	3.9
105.07044	44.8
105.30322	3.6
106.90196	3.5
107.04962	24.7
107.08589	39.7
109.06509	14.2
109.10162	26.9
111.08096	5.7
117.06981	15.4
119.08569	34.2
121.06499	9.7
121.10139	15.3
123.08086	10.0
125.09625	16.2
129.06987	9.9
131.08568	22.7
133.06488	8.5
133.10129	39.9
135.08078	19.3
135.11671	10.6
137.09631	6.1
143.08565	9.7
145.10150	18.1
146.99648	3.9
147.08032	17.9
147.11653	7.4
149.09636	16.9
149.13297	7.0
151.11142	19.6
157.10118	9.2
159.11691	5.1
161.09622	11.1
167.08611	3.6
171.03239	5.0
171.11646	7.4
175.11186	6.8
177.09045	4.7
177.12712	7.6
183.03168	3.4
185.13226	3.5
187.19104	3.9
189.04303	7.1
189.11156	8.0
189.12715	3.8
199.06480	10.2
203.05898	5.5
217.07481	15.9
223.06395	5.6
223.13234	30.2
227.17975	4.3
229.07722	3.4
231.09009	12.1
241.07463	19.0
245.18987	8.8
253.07552	7.0
253.14316	4.5
255.09006	8.4
259.08563	41.8
263.20016	6.4
269.10541	7.3
273.09988	5.8
273.18497	43.6
277.09637	10.3
282.10205	5.5
287.11584	4.6
291.19531	100.0
292.19897	4.0
305.06033	3.7
326.36038	3.6
329.14157	5.0
347.15372	36.2
347.21997	6.0
365.16296	41.7
365.23245	48.9
383.17358	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.1
55.01874	11.7
55.05513	40.0
55.78496	4.4
56.96564	7.2
57.03429	22.2
65.03941	6.7
67.05510	59.7
69.03426	11.1
69.07068	31.6
70.46287	4.5
70.84309	8.9
71.05009	9.0
79.05496	73.7
81.07061	69.8
81.17599	4.8
83.04985	14.7
83.08614	16.3
87.39998	4.9
91.04961	9.6
91.05484	100.0
93.07047	76.7
95.04949	18.3
95.08601	37.4
97.06569	12.9
97.10181	12.0
103.05496	6.7
105.07031	81.1
107.04967	10.3
107.08601	33.7
109.06540	18.7
109.10153	12.2
115.05450	16.3
117.07027	48.5
119.08562	58.1
119.09242	5.6
121.06508	11.0
121.10188	18.4
123.08070	12.6
128.06221	21.7
129.07004	28.5
130.07834	9.7
131.08585	89.4
133.06522	11.3
133.10164	28.5
135.08081	13.0
135.11665	9.3
137.09637	6.6
139.11182	9.8
141.06966	9.7
142.07761	7.0
143.08553	86.0
145.10126	94.6
147.08037	13.6
147.11685	10.9
149.09622	8.2
155.08589	7.4
156.75130	4.9
157.10139	22.0
159.11722	21.2
161.09627	22.3
161.13228	6.8
168.26991	5.3
169.10139	19.8
171.11723	21.7
173.09515	7.1
175.11241	11.3
177.12773	5.3
181.10147	7.7
183.11707	11.5
185.13283	8.9
187.11267	5.7
189.12785	5.1
195.11700	18.3
198.31662	5.6
211.14703	5.0
227.17943	7.2
237.16458	20.3
245.18985	10.5
255.17464	20.8
273.18484	54.9
291.19434	12.1
340.65167	5.3
347.22247	13.7
365.19226	18.1
365.23349	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01873	12.5
55.05513	36.1
56.96559	2.6
57.03439	16.4
57.07067	2.1
61.02950	1.2
65.03922	1.9
67.05505	52.2
68.32148	1.3
69.03432	13.3
69.07067	64.6
69.88670	8.0
71.04983	3.0
72.45720	1.1
72.93787	3.0
79.05491	41.7
81.03422	12.2
81.07057	38.4
83.04995	10.4
83.08613	15.5
83.52087	1.4
83.77202	1.6
85.02907	2.1
85.06523	3.0
91.05476	32.3
93.07044	27.7
95.01325	1.7
95.04967	14.8
95.08610	18.7
97.02895	17.0
97.06523	7.8
97.10168	20.7
98.21412	1.8
105.07027	19.9
107.04964	12.0
107.08597	20.7
109.06506	6.6
109.10138	13.0
111.04472	1.4
111.08072	3.5
115.05473	2.2
117.07021	13.4
119.05000	1.9
119.08580	19.4
121.06528	6.3
121.10114	7.6
123.08064	7.0
125.09631	17.6
127.07495	1.4
128.06244	1.8
129.06989	6.1
131.08566	11.0
133.06516	5.0
133.10121	11.8
135.08047	10.3
135.11674	3.9
137.09596	5.6
143.08583	4.8
145.06403	1.5
145.10135	6.8
147.08028	7.5
147.11659	3.9
149.09630	4.2
149.13272	4.7
151.11147	3.9
153.09045	2.3
155.08545	2.1
157.10127	5.9
159.11726	6.5
161.09624	6.0
163.11223	4.0
165.09128	4.9
171.11696	2.8
173.13297	1.6
175.11235	2.8
177.09250	2.0
177.12726	3.0
179.10744	1.6
185.13297	2.6
187.11124	1.8
189.11249	11.0
193.12227	2.0
195.13770	3.8
199.13138	1.3
199.14833	1.5
203.10609	1.5
205.12239	2.6
223.13249	23.8
227.17990	1.3
245.18903	2.9
257.41898	1.5
263.20096	3.4
273.18503	24.2
291.19531	100.0
292.19962	1.9
293.04880	1.3
303.11215	1.9
327.25674	1.6
336.14636	1.3
347.13062	12.0
347.22144	1.8
365.14163	5.3
365.23190	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.6
55.01877	19.7
55.05506	34.9
56.96564	7.1
57.03440	31.3
65.03933	4.8
66.60198	3.0
67.05505	88.5
68.05775	2.9
69.03432	9.5
69.07061	30.0
70.34632	7.5
70.35028	6.5
71.04989	7.6
79.05064	5.7
79.05500	86.0
79.05966	5.8
81.03427	15.9
81.06575	6.5
81.07057	100.0
83.04990	18.5
83.08636	19.0
85.06534	5.1
91.05486	87.1
93.07039	69.8
94.05561	3.3
95.04973	38.0
95.08612	42.8
97.02908	4.6
97.06519	9.8
97.10184	7.0
103.03944	5.5
105.07038	64.8
107.04956	31.9
107.08597	52.8
109.06506	16.6
109.10150	27.4
111.04428	4.1
111.08104	12.8
113.06004	3.8
115.05412	5.0
117.07017	19.5
119.04961	4.5
119.08600	29.2
121.06476	19.9
121.10144	19.6
123.08072	7.3
123.11723	6.8
127.07583	4.4
128.06244	5.8
129.07002	14.7
131.08562	39.7
133.06494	28.6
133.10141	50.4
135.08049	25.4
135.11696	12.8
137.06013	7.0
137.09637	7.3
139.07558	4.8
143.08562	12.1
145.10121	17.1
147.04265	6.7
147.08049	11.8
147.11725	12.0
149.01270	4.2
149.09625	34.2
151.11220	25.6
155.08597	3.4
157.10089	7.7
159.08040	9.0
159.11673	6.6
161.09584	16.5
161.13321	4.7
163.11165	9.9
169.12314	3.5
171.11714	5.3
175.09686	3.7
175.11244	10.1
177.09145	13.4
178.75018	3.3
185.13362	3.7
187.11150	4.5
189.12701	6.9
199.11226	3.8
205.93358	2.9
245.19086	8.8
251.12749	4.0
253.14392	14.1
255.17525	5.0
263.20041	15.1
269.13876	6.6
273.15848	4.5
273.18539	50.8
285.13593	5.1
291.19534	37.0
309.07474	6.3
321.24179	6.9
347.22305	6.0
365.14105	7.5
365.19061	6.8
365.23297	82.7
365.33264	3.7
366.23407	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	365.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
56.96550	5.3
57.03415	1.0
59.05000	1.4
61.02924	4.8
67.05523	1.1
68.05000	1.2
69.03421	1.2
70.06588	28.0
70.97974	1.8
71.04996	5.2
79.05484	3.6
80.05016	0.8
81.03411	5.3
81.04532	1.5
81.07050	12.5
82.03732	2.7
82.05321	6.9
82.53892	0.7
83.06089	3.4
84.04478	1.3
84.96045	0.9
85.02895	1.1
86.09691	1.2
92.78230	0.8
93.04510	2.5
94.02663	0.8
95.06088	2.2
95.08594	1.0
98.97591	4.0
105.06997	0.8
107.06049	1.7
110.07158	72.0
111.07490	1.1
116.98622	2.6
119.04919	0.9
120.05579	1.6
120.08012	0.9
121.03988	2.3
121.07587	2.2
122.07112	1.8
122.77284	0.9
123.04416	2.2
123.05514	1.2
125.07119	1.3
128.98618	2.0
131.06081	1.2
132.05556	1.2
133.03943	1.3
134.07161	0.8
134.15094	0.7
134.99651	1.4
137.07072	1.5
138.06647	2.2
139.03882	2.1
146.99661	1.4
147.05525	3.3
148.05061	2.6
149.07036	1.2
151.03995	1.1
151.12238	1.0
159.05594	1.3
161.01262	1.9
161.10732	1.4
162.10254	12.3
163.03978	0.9
163.12312	11.3
165.00716	1.1
166.06078	5.2
168.06610	0.9
172.06229	1.5
173.07120	0.9
173.10741	1.1
175.12335	1.3
180.06667	1.2
185.04224	2.3
190.13383	7.6
191.11671	0.9
192.14961	2.5
199.22163	1.0
201.10229	26.7
202.13411	2.1
203.05267	2.6
203.11739	1.3
207.12473	3.7
208.14404	3.0
213.04372	2.0
217.10791	2.8
218.12874	8.5
219.01875	0.9
235.11882	43.3
236.12340	0.9
237.02794	3.7
239.02281	2.4
245.10458	1.4
246.12447	1.6
257.03284	2.1
259.18970	1.0
264.13541	1.1
269.03342	1.3
287.04300	1.2
287.18649	9.7
315.18127	67.8
316.18433	2.6
333.19205	24.2
334.19330	1.2
347.12357	2.0
365.05469	6.5
365.10233	3.3
365.14178	3.1
365.21805	100.0
366.11450	1.2
366.22003	4.1
383.06442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05491	1.1
57.03423	0.5
59.04977	0.4
63.39566	0.3
65.03918	0.4
67.05503	2.2
69.03418	0.6
69.07066	2.3
73.36024	0.3
79.05489	1.8
81.07056	3.6
83.01305	0.4
83.08611	0.5
91.05473	3.0
93.07032	1.9
95.04936	0.7
95.08598	2.0
97.02854	1.1
103.28210	0.3
105.04542	0.3
105.07033	1.6
107.04949	7.0
107.08591	1.3
109.10139	0.9
111.08093	0.4
116.18435	0.3
117.06969	0.6
119.04922	0.9
119.08561	0.9
121.02881	1.7
121.10122	1.0
123.11717	0.5
124.26736	0.3
129.06999	0.7
131.04901	0.6
131.08652	0.3
133.06429	0.6
133.10092	0.6
135.04413	0.4
135.11676	0.6
137.13277	0.5
142.07735	0.4
143.08531	0.5
144.05684	0.4
145.06468	0.9
145.10117	0.5
147.04395	2.3
147.11699	0.5
152.06221	1.3
155.08485	0.4
157.06476	2.9
157.10120	0.7
161.13275	0.4
165.07001	1.2
166.07799	0.5
167.08560	2.8
169.06525	0.4
170.07236	0.7
171.08081	0.7
171.11674	0.4
177.07007	1.9
181.06436	0.6
185.09547	0.7
195.08037	7.3
197.05969	0.9
198.06734	1.7
199.07529	0.9
204.08679	0.5
204.75035	0.3
211.07539	0.3
213.09032	1.1
216.48286	0.3
223.07558	1.5
225.08890	0.4
229.08513	0.4
241.08578	100.0
242.08923	3.9
255.10074	0.4
272.20694	0.3
273.22079	0.8
281.11472	0.4
291.19788	0.3
327.17142	0.3
347.25519	0.3
365.20715	1.9
365.26834	1.3
365.32022	0.5
368.33868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	10.1
59.50987	3.6
67.05492	13.5
69.07089	8.8
71.59254	4.0
79.05495	7.9
81.07042	22.0
91.05482	7.7
93.07047	10.2
95.08626	17.4
97.10172	3.5
105.07021	9.8
107.08584	7.9
107.92583	3.4
109.10149	10.9
119.08596	8.4
121.10104	5.4
123.08057	7.6
133.10139	7.6
145.10133	4.3
147.11713	4.3
151.07588	3.7
154.64534	4.0
165.09114	13.1
166.43126	3.3
181.10088	4.6
189.03423	3.3
195.11740	4.6
233.44579	3.3
273.18292	3.7
291.19513	8.3
305.24731	4.6
319.26132	4.6
341.19266	3.4
347.25769	43.3
365.10373	3.8
365.20920	7.5
365.26932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.2
57.07079	6.0
65.75311	3.3
67.05502	28.4
69.07069	17.5
71.59241	5.5
73.04154	3.7
79.05502	15.7
81.07053	29.1
83.08607	5.4
85.78805	4.0
91.05501	18.5
92.84750	4.3
93.07054	20.7
95.04985	10.6
95.08617	19.3
95.09155	4.2
105.07033	10.8
106.62650	4.6
107.08598	14.4
109.06538	4.2
109.10172	8.8
113.06014	4.1
117.07017	5.2
119.08570	12.0
121.10150	8.2
123.08036	9.3
133.10107	4.6
143.08664	5.3
145.10127	6.5
147.11707	4.6
151.07637	3.7
152.08334	5.3
155.08527	5.2
157.10129	7.2
161.13239	4.1
165.09174	17.7
186.36838	4.1
193.10168	4.2
193.12180	3.8
195.11829	5.1
197.13359	5.2
221.13414	4.9
273.18604	4.5
289.40494	4.0
291.19525	7.3
319.26318	5.9
347.25858	41.1
365.10751	4.0
365.27036	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.6
56.96551	1.1
57.03423	2.4
60.71783	0.8
64.69722	1.0
67.05505	5.7
69.03414	2.7
69.07060	3.2
71.04979	1.2
71.58879	1.1
71.59295	1.1
73.20113	0.9
75.17411	0.9
79.05486	6.0
81.03416	2.5
81.07060	7.1
83.04945	1.5
83.08610	2.1
85.02881	1.2
91.03979	0.9
91.05493	5.6
93.07039	4.6
93.27341	0.8
95.04958	3.8
95.08604	3.2
97.02874	5.5
97.06518	2.0
97.10184	1.3
105.07016	4.4
105.62700	1.0
107.04946	1.1
107.08596	4.1
109.06512	2.5
109.10155	2.5
110.62773	0.8
111.08058	1.1
117.07011	2.1
119.08603	4.7
121.06515	2.2
121.10148	2.2
123.11682	1.7
129.06992	1.7
131.05002	0.9
131.08571	2.6
133.06474	1.0
133.10146	2.4
135.08044	2.2
135.11687	1.7
139.11235	1.0
142.07832	1.0
143.08504	1.0
145.10124	2.1
147.08066	1.7
147.11717	1.9
149.05943	1.8
149.09589	1.8
157.10106	2.3
159.08072	1.3
159.11691	2.1
161.09579	1.4
165.09099	3.9
171.11618	1.1
173.09599	1.1
175.11108	1.3
187.07713	1.2
193.12350	1.2
195.11740	1.0
203.05424	1.6
238.37524	1.0
255.17467	1.4
273.18607	4.8
285.10010	1.5
347.18311	2.6
365.19357	100.0
366.19724	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63907	0.5
71.37025	0.8
76.52715	0.7
117.65775	0.5
167.80371	0.6
185.02545	1.2
185.04219	30.2
203.05267	57.0
365.10556	100.0
366.10825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97061	0.8
55.64980	1.0
70.10957	3.2
77.83237	0.9
77.95952	0.8
86.70210	1.0
130.49353	1.0
146.59973	1.0
154.96432	0.9
185.04205	32.7
185.05794	1.9
203.05260	83.2
204.44516	0.8
269.62149	0.9
365.10541	100.0
366.10699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2478
Annotation	Cardiopetalidine
Peak:m/z	Relative Intensity
55.01865	1.7
55.05510	18.0
57.03428	1.6
66.04789	1.0
67.05496	6.8
69.07053	4.3
71.25190	1.1
71.58910	2.1
73.06557	1.3
77.09031	1.1
79.05502	7.1
80.05001	1.6
81.07043	6.1
83.08600	6.9
85.83418	1.1
93.05773	2.2
93.07048	4.0
94.06553	6.6
95.04988	1.5
95.08610	3.0
97.10156	11.9
100.05040	1.1
105.07036	2.5
106.06593	2.2
107.08570	4.2
108.08119	7.9
109.06543	1.4
110.09673	2.7
118.06557	2.0
119.08573	2.7
120.08092	5.5
124.07597	9.6
125.09621	7.3
126.09171	2.7
132.08098	3.5
133.08888	1.5
133.10054	1.4
134.09630	4.7
135.08023	1.2
135.10361	1.0
137.08401	1.4
138.09142	28.0
146.09647	2.8
147.10429	1.7
148.11148	2.8
150.09155	5.2
152.10719	1.4
160.11235	1.4
162.09084	1.5
162.12827	5.4
164.10677	7.1
166.12271	1.6
174.09216	1.4
178.12292	6.8
179.13066	1.5
180.13840	20.6
194.11789	3.1
229.14381	2.2
262.18063	3.4
276.19611	1.2
278.17401	1.8
290.17444	5.5
314.21158	2.6
322.20114	8.3
332.22202	23.2
346.23743	4.0
364.24799	100.0
365.25226	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	364.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.8
65.03927	0.3
67.05498	0.7
69.03425	1.0
69.07082	0.4
70.06618	0.3
71.04993	1.0
79.05493	1.1
81.03418	3.7
81.07050	1.2
82.30847	0.2
83.04973	0.5
83.08608	1.2
85.02910	0.7
91.05469	3.0
93.07042	0.9
94.04046	0.3
95.04948	1.0
95.08616	0.6
97.02878	0.4
97.06542	0.5
98.20788	0.6
105.06998	1.2
107.08570	0.5
109.06523	0.3
111.08049	0.4
118.06571	0.5
119.03547	1.1
119.08588	1.0
121.06510	0.4
121.10138	0.6
129.06979	0.6
131.08534	0.5
133.10176	0.5
136.06178	100.0
137.04602	1.7
137.06651	0.6
140.07022	0.5
147.08034	0.3
147.11697	0.7
149.09622	0.3
152.05664	0.8
154.06953	0.2
157.10097	0.6
165.09193	0.4
174.07712	1.2
175.11179	0.4
177.07808	0.4
178.08636	0.5
184.99048	0.3
193.12173	1.8
203.05292	0.2
205.61130	0.3
211.13280	2.5
212.09309	0.2
230.15392	0.9
272.52991	0.2
273.13602	0.4
302.17468	2.5
310.16635	0.6
320.18607	0.6
328.17847	0.7
346.18692	2.1
352.09085	0.3
352.88947	0.3
364.19760	29.6
365.10455	0.6
365.20145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40152	0.3
52.46744	0.3
53.03938	0.8
54.47071	0.3
55.01869	3.7
55.05506	2.1
56.05028	0.9
57.03422	1.3
61.02920	0.7
68.99796	0.5
69.03426	4.8
70.06592	4.2
70.75519	0.7
70.75854	0.5
71.04997	1.8
72.04513	0.6
73.02906	1.3
81.03420	5.7
84.04500	0.4
84.08157	1.6
85.02909	6.3
87.00824	2.8
90.05552	1.2
97.02899	2.3
98.06054	10.7
99.04459	1.6
105.01868	1.2
109.02881	4.5
110.81728	0.3
112.07587	1.1
116.07092	100.0
117.01872	0.3
117.07433	1.1
121.55184	0.3
122.06080	0.4
126.05531	0.8
127.03915	5.7
128.07095	1.1
140.07072	2.0
142.08705	0.3
145.04947	1.0
147.02884	0.4
158.08116	5.2
159.02861	1.7
163.03923	1.0
164.10779	0.3
178.08647	0.5
182.08067	1.4
183.01471	0.3
184.09775	0.4
185.04268	0.6
200.09190	0.3
202.10811	1.5
203.05267	1.4
206.08141	0.8
220.11815	0.5
224.09242	1.1
231.05046	1.0
234.09705	0.4
237.02760	0.6
278.12317	0.5
319.89352	0.3
323.10129	0.4
347.16937	0.3
364.12366	2.8
365.10623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.0
57.07078	2.3
57.14344	1.5
66.50368	1.3
67.05505	10.0
69.07069	12.5
69.71839	9.8
70.04411	1.2
71.05000	2.0
79.05489	5.0
81.07066	14.6
83.08613	5.9
85.06520	1.9
91.05492	3.1
93.07040	6.3
95.08607	11.7
97.06530	2.3
98.21419	1.7
105.07015	4.9
107.08636	7.9
109.06534	9.2
109.10142	3.8
111.08083	2.2
119.08591	5.5
121.10184	3.4
123.08071	68.2
123.11710	3.1
133.10147	4.0
135.08051	6.3
135.11676	2.4
137.09624	5.9
137.13338	1.3
145.10143	2.0
147.11661	2.4
149.09593	2.3
149.13255	2.2
167.14281	2.3
179.14293	13.2
188.79532	1.5
209.01128	1.3
233.18948	1.7
275.20078	2.0
307.22644	11.5
331.26361	6.9
363.28952	100.0
364.29416	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33511	1.0
51.66013	1.0
55.01867	4.2
55.05268	1.6
55.05511	22.6
56.96557	2.9
57.03438	12.9
61.02924	1.5
67.05506	17.2
67.26705	1.2
69.03413	5.3
69.07068	6.0
71.04983	2.2
71.59116	2.0
78.04645	1.3
79.05057	1.7
79.05491	18.6
81.03410	5.6
81.07053	13.8
83.04991	9.8
83.08620	10.8
87.04461	5.9
91.05479	22.3
93.07040	12.6
95.04968	6.7
95.08598	6.6
97.02871	1.9
97.06488	2.0
97.10176	16.1
103.05484	1.7
104.06266	1.6
105.07035	10.1
107.04967	9.4
107.08581	12.8
109.06513	4.0
109.10152	5.2
111.04438	4.4
111.08062	1.8
115.05454	3.8
117.07005	15.3
118.05703	2.0
118.06543	34.0
119.08578	75.7
120.08854	1.2
121.06505	4.2
121.10165	2.9
123.08062	1.5
125.09646	13.2
128.06238	1.9
129.07004	5.0
131.04909	1.7
131.08557	5.0
132.05612	1.8
132.08047	2.8
133.06471	4.0
133.08885	1.6
133.10127	5.3
135.08044	9.8
136.51735	1.3
137.05922	1.7
137.09612	1.8
138.36188	1.3
139.10999	1.1
142.06509	2.9
143.07312	2.5
143.08482	2.3
144.05684	3.1
144.08102	11.8
145.06476	4.6
145.10091	7.9
146.04829	2.3
146.06003	47.3
146.09653	2.1
147.08043	9.2
149.05933	1.2
149.09627	2.1
149.11491	1.2
153.09088	1.8
157.10106	6.7
159.08054	33.6
159.11688	3.3
160.57207	1.1
161.09625	5.2
162.12767	4.1
163.07654	1.8
163.11203	1.6
163.13095	4.9
165.09085	3.4
167.07008	1.4
169.10126	4.8
170.05954	4.0
171.10239	1.3
171.11646	3.1
173.09605	7.8
173.13188	1.4
175.07571	1.4
175.11182	2.4
175.79788	1.2
176.14345	100.0
177.09030	1.8
177.14648	2.7
183.11668	2.1
185.09683	1.5
187.11238	1.8
188.07060	30.1
189.11203	8.8
195.11827	1.6
199.11324	1.5
207.36128	1.3
215.14417	2.2
225.12694	1.5
225.16396	2.3
233.15324	3.9
234.14824	2.3
235.14920	2.0
243.17447	2.5
248.16461	5.5
249.16753	10.0
253.15982	4.4
261.18387	1.5
264.19595	1.5
265.19852	5.5
267.09082	2.2
271.16919	16.0
285.10156	3.6
289.17844	9.9
314.47754	1.3
352.70596	1.2
363.21216	27.0
363.27130	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.214
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
69.56900	3.4
71.88345	0.6
91.05447	0.6
96.08113	1.0
98.21515	0.7
100.70968	0.6
105.07040	0.7
107.04940	0.9
111.57136	0.7
124.94703	0.5
137.05791	1.3
148.82077	0.7
167.05904	0.7
208.98318	0.6
241.83777	0.5
289.59290	0.6
363.21405	100.0
364.21576	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	363.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
53.14309	0.8
53.37242	0.8
55.01870	4.5
55.05511	25.9
56.96548	1.0
57.03435	9.4
57.77450	0.8
59.87511	0.7
65.03933	1.3
65.81165	0.7
65.81696	0.9
67.05508	17.2
69.03423	3.3
69.07072	6.0
70.51571	2.9
79.05058	1.6
79.05496	22.5
79.71394	0.8
80.61477	0.9
81.03426	1.4
81.07057	15.6
83.04981	3.7
83.08624	11.8
85.06527	1.3
91.04911	1.1
91.05482	17.8
93.07043	8.5
95.04952	2.8
95.08597	4.4
97.06502	1.3
97.10172	19.9
98.69683	0.8
103.05455	2.6
104.06277	1.6
105.07034	7.4
107.04947	2.0
107.08612	11.0
109.06523	1.9
109.10156	4.3
111.08067	2.5
112.99960	1.3
115.05444	1.8
115.53266	0.8
116.06208	1.0
117.07026	12.3
119.08587	100.0
120.08913	1.5
121.06516	1.2
121.10135	2.7
123.08088	2.4
125.06016	1.0
125.09637	17.3
128.06198	1.0
129.05490	1.6
129.07001	5.2
131.08563	5.2
133.06500	5.4
133.10147	2.1
135.08063	12.2
137.09587	1.8
139.03850	0.9
141.06984	1.5
142.07788	1.1
143.08562	2.0
143.10699	1.0
144.05704	3.9
145.06477	2.0
145.10150	6.8
147.08049	8.1
147.11671	1.8
149.09615	1.6
151.03862	1.1
153.09154	1.2
155.08569	2.4
157.08823	1.1
157.10117	8.7
159.08057	50.8
159.11705	2.7
161.09651	3.2
161.13258	1.4
163.07576	1.1
169.10114	5.1
171.10167	2.1
171.11674	2.5
173.09607	7.5
173.13309	1.2
175.07567	1.8
183.11713	1.4
185.09612	1.2
187.11299	1.1
189.11223	13.9
197.13277	1.7
211.11185	0.9
225.16406	3.7
235.14818	1.8
243.17526	1.7
250.90741	0.8
253.15892	5.2
253.77821	0.9
261.18414	0.9
271.16977	13.4
271.20270	1.4
287.12741	1.0
289.17963	8.6
345.20755	1.1
363.17911	1.3
363.21701	20.3
363.26514	2.8
364.21722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01868	0.6
55.05508	3.5
57.03426	1.1
57.54537	0.3
62.01330	0.3
67.05488	1.5
68.31828	0.3
68.45009	0.4
69.03411	1.1
69.07056	0.8
69.38412	3.3
79.05477	2.2
81.03409	0.7
81.07064	2.1
83.04990	0.5
83.08607	0.9
86.74252	0.3
87.04456	2.1
88.04772	0.6
91.05479	3.2
93.07044	1.3
95.04939	0.9
95.08581	0.6
97.10151	1.4
99.04480	0.4
103.05454	0.5
105.07017	1.2
107.04942	0.8
107.08586	1.5
109.10159	0.7
111.08020	0.3
115.05449	2.1
117.05753	0.6
117.07027	3.8
118.06542	32.5
119.06834	0.4
119.08579	6.6
121.06470	0.6
121.10138	0.5
125.09630	1.6
129.05498	0.4
129.07008	0.7
130.06570	0.4
131.08542	0.9
132.08067	2.7
133.06511	0.5
133.08861	1.5
133.09906	0.3
134.09619	0.6
135.08069	1.2
142.06512	2.3
143.07295	2.7
143.08374	0.5
144.04404	0.5
144.08078	10.5
145.06461	1.5
145.08330	0.4
145.10075	0.8
146.06009	45.8
146.09648	2.9
147.06392	1.1
147.08035	0.8
148.11046	0.4
157.10107	0.5
159.08052	3.2
159.11641	0.4
160.07593	0.7
162.12782	1.8
163.13118	2.0
165.09163	0.7
167.07108	0.4
170.06000	3.5
171.11644	0.5
173.09807	0.5
176.14345	100.0
177.14731	3.2
188.07066	30.5
189.07335	0.7
189.11238	1.2
195.43436	0.4
216.13898	1.3
234.14859	1.4
242.44063	0.3
248.16420	1.7
249.16788	5.1
251.18066	0.4
253.15881	0.9
261.18539	0.4
264.19464	0.8
265.19946	2.0
271.16943	1.7
285.10223	0.5
289.17953	1.1
293.19391	0.5
363.20700	13.8
363.27194	8.7
364.21115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	33.9
67.54808	18.8
69.07052	21.5
69.39855	100.0
69.40282	90.4
74.18685	23.3
79.05482	30.5
81.07043	28.3
88.07593	26.5
91.05507	33.9
93.07031	21.1
95.08597	24.5
109.74243	17.1
138.47087	21.3
141.93878	18.6
198.67874	18.3
203.65704	21.9
247.08316	23.8
320.30103	25.6
363.20041	86.8
363.32901	44.0
381.74512	19.4
383.24167	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	363.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	46.5
56.96577	47.8
67.05514	100.0
70.65392	79.1
70.65788	86.3
73.54103	42.0
81.07050	73.5
93.07084	64.7
130.43228	43.5
161.07062	42.1
191.10750	56.9
267.09213	37.9
349.16840	50.4
363.19199	66.9
363.25281	47.7
381.96454	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	363.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	32.5
57.07031	7.3
59.11790	8.0
61.34043	7.1
67.05501	33.7
69.07053	39.2
71.08614	11.5
71.59600	11.5
79.05489	51.4
81.07059	100.0
83.08619	16.1
85.06544	11.6
89.06027	16.1
91.05475	40.7
93.07049	70.7
93.18624	7.4
95.04971	13.2
95.08613	43.0
97.10172	7.2
100.95989	8.2
105.07038	67.3
107.08606	59.6
109.06530	13.0
109.10168	15.3
115.89739	7.4
117.06196	8.0
117.07011	23.5
119.08574	76.4
121.10169	18.2
123.08022	16.1
129.06982	9.1
131.08586	38.2
133.10143	26.0
140.34747	8.9
143.08592	20.9
145.10152	33.3
147.11708	15.0
155.08606	10.2
157.10159	20.9
159.11691	13.8
161.13312	18.4
169.10101	9.1
171.11763	16.5
179.14293	12.6
183.11823	11.1
185.13211	17.8
187.14906	12.3
195.12250	9.3
197.13211	23.7
215.14355	9.7
216.13634	7.5
219.13730	11.7
221.15338	13.5
233.15199	16.0
235.16858	10.1
247.16942	9.2
295.20581	18.8
312.76678	8.3
313.21545	45.9
331.22565	14.5
345.24112	27.2
363.25299	78.6
363.29291	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	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90104	4.3
55.05504	11.2
56.96570	6.8
57.07071	8.2
58.41486	5.2
67.05498	22.1
67.43504	4.5
70.06585	16.6
71.04996	25.2
71.16920	11.7
72.08150	20.7
79.05495	13.3
81.07049	28.7
83.08571	5.6
88.07642	16.3
91.05495	13.9
93.07030	13.3
95.08588	5.6
105.07039	10.8
107.04950	6.0
107.08614	6.8
109.10168	13.0
114.09152	9.2
119.08556	6.4
121.06501	9.4
125.09636	6.5
132.10207	27.1
133.06453	6.3
136.07579	12.5
141.01466	89.7
142.01833	39.8
155.08661	4.3
155.14330	17.6
158.04152	4.7
161.05971	15.1
162.06335	11.6
173.11719	14.1
176.12845	6.2
177.05510	5.6
189.11169	6.7
200.05612	4.7
241.08606	24.4
256.26224	6.3
292.43939	5.7
297.80127	4.7
302.14737	11.7
362.27008	24.4
362.32608	100.0
363.21362	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	362.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44720	0.6
55.05489	1.6
58.26700	0.6
60.52091	0.5
64.77160	0.6
67.05481	1.8
69.03403	1.4
69.07039	1.4
70.87744	0.6
70.93034	1.4
79.05463	2.9
80.05001	1.0
81.07024	1.9
83.08594	0.7
87.04465	29.8
91.05453	1.9
93.07046	6.1
95.04982	0.9
95.08569	1.2
98.06056	1.7
105.07010	2.5
107.07301	0.6
107.08572	2.4
108.08102	3.4
110.09653	0.7
117.06997	1.0
119.08546	2.0
120.08131	1.1
121.10143	0.7
123.60062	0.7
133.10085	0.7
134.09641	1.2
135.11664	1.9
136.11183	1.0
146.09604	2.0
147.10403	0.9
148.11172	2.6
161.13194	0.9
162.12778	47.3
178.15945	2.9
193.11038	1.3
194.11731	2.2
196.13307	2.6
206.11749	2.0
220.13329	2.4
222.14911	1.6
234.14888	2.7
248.16454	86.3
249.16878	1.7
250.17963	2.7
264.19580	39.6
265.19748	1.3
271.17053	0.9
276.23181	5.6
289.18121	1.3
292.19073	8.2
343.30740	0.6
362.26886	100.0
363.21628	0.8
363.27078	2.4
379.52179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02386	0.2
57.07076	23.3
59.53395	0.2
60.17686	0.2
91.05455	0.4
93.07059	0.4
93.99870	0.2
106.06519	0.3
107.04967	0.5
107.89186	0.2
117.07015	0.4
121.06493	5.1
129.06976	0.2
131.04930	8.0
133.06473	0.4
134.07265	0.6
135.08025	0.7
139.07523	0.4
141.01454	0.5
144.09328	1.3
147.04425	0.5
147.08006	1.2
149.05974	1.8
157.06454	0.3
159.11725	1.3
162.06764	8.6
162.10397	3.9
172.08887	1.3
177.09113	19.9
177.12733	15.5
178.09448	0.8
178.13072	0.4
187.11183	6.1
190.09866	0.3
205.12238	100.0
206.12592	2.4
229.47478	0.4
236.10028	0.2
307.22906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20692	1.0
56.05027	1.2
56.96560	1.8
57.03419	2.0
60.87659	1.0
61.02912	1.3
69.03432	7.8
69.07061	1.7
70.50549	3.5
81.03397	2.2
81.07040	1.0
82.06609	1.0
83.82177	0.9
84.04496	3.1
85.02904	14.5
86.09682	3.8
86.99055	1.9
88.03960	1.1
91.05460	1.4
91.56763	0.8
93.05760	1.2
93.06995	1.8
94.06557	4.8
95.04957	2.1
97.02880	4.4
97.06550	1.3
98.97572	2.4
107.04941	1.4
108.08122	8.0
109.02888	2.2
110.06039	4.4
112.03975	1.4
112.07587	2.1
116.98591	1.5
119.07317	1.1
122.05180	1.2
122.06038	21.2
123.04393	1.7
125.42399	1.0
127.03894	2.9
134.99593	1.3
135.04398	1.7
136.07574	18.5
138.09138	1.6
140.07062	25.9
145.04897	1.7
152.07048	1.4
154.08640	16.9
158.99739	1.0
163.03865	2.1
164.07063	3.5
165.05403	1.4
174.01617	1.3
177.00778	1.2
182.06612	2.0
182.08125	26.8
187.14526	1.3
189.03305	1.4
191.03912	1.0
200.09174	100.0
201.09450	1.4
201.12360	1.9
236.07785	1.9
237.02745	4.1
239.07140	1.2
253.10463	1.6
263.01971	1.1
276.10980	1.0
298.12558	1.3
299.11276	1.2
316.11792	1.4
321.08487	1.9
344.13251	1.4
363.09778	1.5
373.32983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	4.0
59.63902	2.2
60.05651	2.9
66.35889	2.4
69.07060	6.9
70.63388	8.9
75.51524	2.5
78.09142	2.7
80.50929	2.3
83.81861	2.0
91.05469	3.4
108.45343	2.5
114.10815	2.2
141.01460	100.0
141.02548	6.3
176.70476	2.5
187.07623	3.0
190.23001	2.2
233.07750	4.5
292.10962	8.1
361.17923	10.4
361.19589	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	361.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46399	0.1
57.07075	1.7
58.92791	0.1
59.86774	0.1
60.28721	0.1
63.02349	0.6
64.64550	0.1
67.45036	0.1
70.90501	0.2
70.90835	0.2
74.27445	0.1
78.12230	0.1
86.71745	0.1
91.05473	0.4
97.00900	0.1
105.59858	0.1
107.04942	0.1
111.02448	0.5
113.01998	0.4
115.40636	0.1
127.03583	0.4
131.03053	0.3
132.04465	1.9
133.04813	1.1
134.87157	0.1
135.08061	0.5
141.01471	100.0
142.01799	1.7
143.03087	0.1
150.25520	0.1
164.07088	0.5
165.07373	0.4
173.11703	0.1
183.06067	0.4
203.06653	1.1
203.14384	0.3
231.06218	0.4
231.09827	0.2
233.07709	1.5
240.70013	0.1
249.07242	0.3
277.10425	0.9
289.14105	0.2
305.09827	0.3
361.15906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83743	0.2
55.01852	0.2
55.23955	0.2
56.77739	0.2
57.07079	2.0
63.02375	0.9
71.20171	0.5
71.20516	0.3
79.05505	0.2
91.05476	0.7
97.00856	0.2
111.02481	0.7
113.01965	0.5
119.08582	0.3
127.03545	0.4
129.56454	0.2
131.03000	0.2
133.17401	0.2
135.08076	0.8
141.01469	100.0
141.02426	3.5
142.01805	1.7
154.10413	0.2
183.06105	0.4
201.38654	0.2
203.06680	1.2
203.14284	0.4
231.06143	0.5
233.07733	1.4
277.10297	0.8
288.30682	0.2
305.09860	0.3
362.32553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22729	0.2
57.07072	2.0
61.19547	0.2
62.53707	0.2
63.02364	0.7
67.05486	0.3
68.99790	0.4
70.64599	0.2
71.51458	0.4
82.47483	0.2
86.12292	0.2
88.96600	0.2
89.69642	0.2
90.73413	0.2
91.05495	0.4
97.00889	0.3
111.02457	0.5
113.02029	0.2
118.66711	0.2
119.04896	0.2
127.03555	0.4
129.01848	3.2
131.03041	0.6
135.08043	0.4
141.01462	100.0
142.01811	2.2
145.61539	0.2
177.12672	0.2
185.08102	1.2
203.06659	1.1
203.14328	0.2
219.13892	0.3
231.06181	0.4
233.07710	1.4
259.09235	0.3
277.10413	0.9
361.17841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1393
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
50.51544	1.2
54.08318	1.0
55.01861	1.4
56.96563	1.5
69.03432	2.8
69.29578	9.7
75.26813	1.0
79.05485	2.4
84.08138	4.5
84.33355	1.0
85.02903	3.5
86.09701	2.9
91.05472	9.9
94.04177	1.3
94.33894	1.0
95.04956	2.2
97.02885	2.7
97.90121	1.0
98.97581	2.1
105.03339	1.1
106.06570	3.9
107.04948	12.2
109.02869	1.9
116.98659	2.0
118.04176	1.8
118.06540	13.8
119.01904	2.0
119.04971	10.1
119.07318	82.5
120.04459	1.4
120.05727	9.4
120.08110	3.0
122.06025	3.8
128.98645	1.1
129.10233	3.1
134.06015	23.3
135.04466	5.8
135.06796	42.2
136.06145	9.6
145.03423	1.4
147.04471	1.4
148.05162	1.1
150.05493	5.5
157.03458	1.4
158.99652	1.9
163.03943	3.0
165.06992	1.6
166.07690	1.2
167.08546	1.3
173.06712	1.0
175.04536	2.3
177.00687	1.6
179.08467	1.9
181.06561	1.2
183.08093	2.0
189.06938	1.3
191.03934	2.8
191.08655	1.2
194.07242	1.2
200.04440	2.1
207.08078	4.6
209.09657	3.0
210.06729	4.9
211.07574	2.8
213.09000	1.4
217.07268	1.8
219.08064	2.6
222.06786	1.3
223.07597	3.1
225.09018	5.5
235.07515	5.1
236.08305	3.4
237.02986	1.3
237.09103	16.0
239.07016	6.5
241.08611	22.8
243.06526	3.1
252.10188	16.2
253.08566	10.4
254.11742	26.0
256.09723	8.2
257.08179	3.9
261.02826	1.2
265.08817	1.5
267.03711	1.2
269.12814	29.4
270.11240	26.1
280.09662	2.0
281.08121	4.7
283.09644	13.5
285.07663	1.7
298.10733	15.0
299.09283	2.2
300.12274	7.0
301.07852	1.7
315.13367	100.0
316.11606	13.8
319.08893	1.6
319.10373	1.6
327.08658	1.5
344.11392	3.2
361.09506	2.2
361.13940	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	4.9
62.54969	3.2
69.03434	7.8
70.06550	3.9
70.27580	15.8
72.08163	4.0
77.33477	3.5
81.03414	7.0
84.04490	19.7
84.08162	5.2
85.02892	12.0
86.99048	12.3
91.05460	5.1
94.06548	4.0
97.02847	3.8
98.21413	4.1
107.05032	3.4
112.02155	8.2
113.07140	7.0
114.58609	4.0
123.04414	9.3
135.04416	4.0
143.02795	5.1
147.04425	5.9
150.09052	4.7
163.03955	14.3
181.04274	5.4
189.03320	13.3
199.05357	4.9
199.09381	4.3
199.11026	4.1
215.04892	6.5
253.08681	4.6
275.11124	9.3
299.09055	4.6
301.00369	3.5
313.07333	4.6
316.11942	10.6
317.12057	63.7
361.10938	100.0
361.14758	14.8
361.18311	4.9
362.11758	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
57.07060	1.9
67.05506	8.1
69.07062	1.6
69.59103	0.7
71.58981	1.0
79.05495	2.8
81.07063	3.4
83.08611	2.6
83.86954	0.6
91.05481	1.6
93.07043	2.3
95.08601	2.3
97.10166	2.0
105.07024	1.5
107.08600	3.4
109.10160	9.3
109.88832	0.8
113.01980	0.9
119.08550	1.4
121.10116	0.9
125.09613	1.8
131.08618	0.9
133.10143	1.5
135.08020	0.9
137.09593	1.1
138.77071	0.8
141.01469	100.0
141.02460	3.7
145.10147	1.1
153.00452	1.0
153.05705	0.7
155.10684	1.1
173.11732	7.2
187.13322	4.8
203.06773	1.1
203.12761	1.9
215.92032	0.6
233.07750	1.8
275.20096	1.7
277.10260	0.9
289.21609	0.8
360.09344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20166	31.6
64.11478	34.0
67.05502	98.6
69.07063	80.8
71.04980	85.4
71.59657	68.3
76.10306	41.9
79.05486	100.0
81.07031	61.9
82.64457	39.8
83.08627	49.4
87.46307	37.6
91.05475	69.3
93.07033	95.8
105.07027	51.1
107.08588	90.8
109.10168	80.0
121.10108	58.4
125.09637	45.0
148.81165	38.1
153.12695	45.9
173.11711	40.2
192.68185	34.4
227.16376	35.1
272.45718	38.9
370.29840	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53326	1.1
54.96401	1.2
55.05502	3.1
57.07069	1.6
61.43438	1.1
61.54319	1.2
67.05497	12.2
69.03422	1.4
69.07065	2.7
70.30283	3.1
70.30666	2.7
72.09234	1.2
79.05489	4.4
81.07063	4.8
83.08641	1.2
91.05470	2.8
93.07065	1.5
94.26172	1.4
95.08610	3.4
97.10190	2.4
107.08604	5.5
109.10150	12.3
125.09642	2.2
131.08525	1.2
133.10144	2.1
135.08025	1.6
135.24347	1.3
141.01466	100.0
141.02429	3.5
155.10721	1.5
173.11751	13.9
187.13275	7.8
203.06618	1.5
203.12753	2.8
246.61293	1.6
275.19983	2.1
361.19785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1768
Annotation	Etoxazole
Peak:m/z	Relative Intensity
57.07075	12.0
63.00097	0.2
63.02369	0.3
67.11914	0.2
69.95738	1.1
85.52681	0.2
89.59347	0.2
89.78121	0.2
91.05486	3.2
98.21376	0.3
104.59235	0.2
107.04940	0.3
111.02459	0.2
113.01970	0.4
119.04924	1.2
119.08624	0.5
121.06529	2.3
131.03041	0.3
140.03116	0.5
141.01463	100.0
142.01808	1.9
147.08061	1.5
158.04121	3.6
159.08041	0.9
162.10304	0.3
163.11214	0.4
165.09116	1.1
175.11197	0.6
177.12741	10.4
178.12997	0.3
182.04144	0.3
184.05830	0.2
188.11911	0.3
203.14299	1.8
204.13765	0.6
219.16118	0.5
233.07692	0.8
261.07275	0.4
261.10855	1.5
286.10406	0.3
304.11423	11.8
305.12015	0.4
317.13577	0.5
317.17056	3.5
360.17676	29.3
361.17856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02045	11.9
69.03413	36.5
69.56659	100.0
85.02911	83.9
97.02885	26.7
121.00341	11.5
127.03931	61.6
134.94031	13.6
145.04953	45.8
163.06018	16.8
198.33969	13.0
276.44443	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	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23707	0.3
55.01858	0.6
55.31844	0.4
56.03818	0.4
57.03428	1.4
67.05486	1.3
68.99783	1.8
69.03400	0.8
69.54628	2.4
69.55040	0.8
70.06593	3.1
71.01344	0.5
72.08156	0.8
79.05468	1.6
81.07042	1.6
82.01018	0.4
83.01332	1.0
83.04995	0.4
83.64217	0.4
85.02863	0.6
87.17479	0.3
91.05459	2.2
93.07024	1.4
95.04958	2.8
95.08595	1.3
97.02892	0.6
97.12521	0.3
98.80241	0.4
98.97589	0.6
105.03410	0.5
105.07014	1.4
107.04932	1.6
107.08575	1.2
108.20111	0.3
109.02885	0.4
109.06444	0.4
115.05447	1.4
117.07020	3.0
119.04935	3.0
121.06493	4.0
123.04426	23.1
135.04446	2.8
135.08055	3.7
136.07539	2.2
137.05975	1.7
139.03873	2.3
145.06496	2.6
147.04401	9.1
147.07935	0.4
148.05174	0.5
149.05997	2.8
151.03880	2.6
157.06497	0.9
161.05986	1.7
162.09178	0.4
163.03868	1.5
163.07545	14.9
165.05482	5.2
167.07043	1.1
173.05962	6.6
175.07549	1.0
176.04715	0.8
177.05524	0.7
178.76967	0.4
179.07016	5.4
185.05957	0.8
186.02179	0.4
187.07520	0.6
188.01820	0.7
189.05348	0.6
190.08633	12.7
191.07025	65.3
192.07385	1.1
203.07016	2.7
207.06580	0.5
208.09680	100.0
209.10010	1.5
220.09692	2.2
235.04376	0.3
286.56052	0.4
311.13202	0.4
325.10687	5.1
342.13385	5.2
343.11813	2.8
360.14389	19.1
370.06158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2791
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.43034	6.9
55.01879	15.2
55.05513	24.5
67.05506	29.9
68.15589	5.9
68.44646	6.0
69.03426	13.7
69.07072	72.8
71.04991	9.4
71.59058	9.0
79.05489	31.6
81.03424	20.2
81.07054	100.0
83.04958	7.6
83.08585	7.0
85.02911	9.6
85.06556	12.5
91.05476	24.6
93.07050	40.8
95.04974	24.3
95.08608	51.7
97.06547	10.1
97.10177	16.0
99.08052	8.7
105.07033	19.8
107.04980	15.7
107.08608	38.3
109.02888	10.0
109.06511	6.9
109.10155	28.1
110.27054	7.0
111.08112	23.8
115.05499	6.3
119.08590	18.1
121.06536	8.1
121.10144	23.5
123.04443	13.1
123.11709	39.5
131.08600	9.7
135.11739	13.8
137.05997	20.3
137.13274	16.5
139.11186	10.9
141.12788	9.2
145.10104	12.3
147.11722	9.6
149.13286	26.4
157.12263	6.7
159.11734	7.0
161.05959	9.3
163.03975	10.2
167.07065	9.3
173.05956	8.3
178.04956	8.2
179.73326	6.5
187.03952	7.6
187.13284	7.9
189.05511	14.3
234.67627	7.1
236.07161	7.7
285.03931	37.0
287.08154	7.7
300.48807	6.9
305.24713	23.0
313.10754	35.2
323.25751	8.0
331.11945	14.9
341.10315	18.0
341.19363	29.7
359.10983	44.4
359.15274	13.4
359.20029	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.37856	0.5
55.01865	0.7
55.05499	0.5
57.03424	1.5
67.05472	1.2
68.99786	2.0
69.03410	0.9
70.06591	4.2
70.74641	1.7
72.08134	1.5
79.05488	1.7
81.03407	0.8
81.07051	1.3
83.01347	1.2
84.04469	0.6
84.08132	0.5
85.02899	1.9
86.09680	1.8
88.03992	0.6
91.04949	0.4
91.05463	2.6
93.07024	1.1
95.04424	0.6
95.04925	2.8
95.08582	0.8
97.02885	0.8
99.04454	0.6
103.05435	0.9
105.07008	1.3
107.04955	2.4
107.08584	1.1
109.02870	1.5
109.06493	0.7
115.05447	1.5
117.07030	2.5
119.04932	3.0
119.08628	0.6
121.02863	0.5
121.06525	3.9
123.04430	22.9
127.03857	1.2
129.06911	0.5
131.04912	1.4
135.04434	2.5
135.08092	4.0
136.07558	2.0
137.05986	1.9
139.03860	0.8
142.94304	0.5
145.06494	3.0
147.04413	8.3
148.05118	0.7
149.06015	3.0
151.03896	2.4
157.06448	0.8
161.05959	2.3
162.09096	0.6
163.03891	2.5
163.07535	15.3
165.05458	5.3
167.07074	0.7
173.05980	6.2
175.04037	0.8
175.07487	1.0
177.05486	0.6
179.07022	5.2
181.08580	2.9
185.05894	1.0
186.02129	1.0
187.07468	0.9
188.01837	2.2
190.06897	0.8
190.08626	15.2
191.07027	60.8
193.05046	0.7
203.07013	3.3
207.06477	0.7
208.09688	100.0
209.09949	1.9
220.09685	2.0
221.08003	1.0
325.10718	5.5
342.13571	3.0
343.11798	4.1
360.14371	19.1
361.14633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01865	8.8
55.05507	22.9
57.03445	30.3
57.07074	4.7
59.04988	16.2
67.05501	28.5
68.99786	9.4
69.03433	24.3
69.06725	6.6
69.07070	79.0
71.04993	8.9
71.59203	4.3
71.59535	4.2
79.05487	18.6
80.89091	3.7
81.03416	14.1
81.07059	82.4
83.04996	11.2
83.08627	9.9
84.04501	4.5
85.02902	12.2
85.06537	18.8
87.00836	5.7
91.05483	15.7
93.07037	40.0
95.04992	8.7
95.08610	51.9
97.02873	9.9
97.06504	9.5
97.10165	8.2
99.04440	7.8
99.08159	4.7
103.05462	6.8
105.07027	25.5
107.04958	8.6
107.08586	40.5
109.02851	4.9
109.06513	8.8
109.10161	22.3
111.04426	8.2
111.08070	22.6
111.11707	14.3
117.07072	7.5
119.08569	13.5
121.06535	6.7
121.10155	21.5
123.04465	9.3
123.11718	41.4
125.09646	8.7
127.03936	11.0
131.04935	8.5
131.08553	7.6
133.06499	5.7
133.10124	11.1
135.11662	13.9
137.05966	19.0
137.09650	5.8
137.13239	13.2
139.07491	6.7
139.11186	13.6
141.01456	61.4
141.12766	8.3
145.06450	9.3
145.10144	7.5
147.04393	6.1
147.11688	9.9
149.13268	23.5
151.11189	5.8
153.06914	5.4
153.12781	8.8
157.06451	5.8
157.12225	11.0
159.11699	7.7
161.05980	22.1
161.09631	9.5
163.07570	4.6
163.11165	5.1
167.07063	7.6
169.06398	7.7
173.02327	16.4
173.06015	9.6
173.09587	5.7
177.12691	8.0
181.06569	7.3
187.07617	4.8
187.13332	7.6
189.09029	5.1
199.07515	5.3
205.12247	4.4
209.06041	26.1
215.06996	7.6
217.08624	4.2
219.13873	5.9
227.06975	5.5
237.05510	7.8
237.14778	5.4
243.06496	4.0
253.08592	8.8
255.06543	21.5
269.08368	5.8
271.06018	100.0
272.06290	9.0
273.03769	5.8
283.06030	82.7
284.06192	8.0
285.11136	5.2
299.09219	10.5
305.24692	15.6
309.11230	8.4
323.15073	7.9
323.25824	7.0
341.13751	5.3
359.14807	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.3
55.05515	30.6
57.03416	9.0
57.07086	8.2
63.75537	6.8
66.03216	5.4
67.05494	27.7
69.03424	8.5
69.07066	43.6
70.32323	26.0
71.95907	5.4
77.41105	5.6
79.05491	27.1
81.03425	11.0
81.07056	100.0
83.04984	8.2
85.06522	14.2
91.05471	17.8
93.03316	5.4
93.07047	50.0
95.04964	12.0
95.08611	66.2
97.06510	11.8
97.10156	19.4
99.04395	5.5
105.07031	18.9
107.04957	10.7
107.08619	39.5
109.02983	5.9
109.06529	6.0
109.10152	24.8
111.08092	19.2
111.11707	10.7
119.08562	11.3
121.10158	34.3
123.11726	50.5
135.11670	19.9
137.05952	13.3
137.13268	15.2
139.11118	9.1
147.11624	6.6
149.13242	42.6
149.49579	6.3
155.04910	8.8
155.14349	6.2
157.12250	7.2
158.93376	6.7
159.08081	6.8
161.13206	7.6
163.14722	10.9
165.07019	8.3
167.07036	10.2
167.08508	6.9
186.06723	7.6
187.07483	6.7
195.08084	11.1
199.03963	7.5
199.07440	8.0
201.09094	9.1
214.06212	17.7
227.10622	24.7
240.07507	6.3
248.14883	6.4
255.10138	35.2
256.10574	7.2
281.07715	7.6
305.24661	26.8
315.48260	6.8
341.13943	7.8
359.10852	10.8
359.14951	10.6
359.19620	12.9
377.13428	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01861	2.0
55.05496	1.5
59.04981	1.6
61.02917	4.3
64.99870	1.3
67.05499	1.8
69.03433	6.9
70.06561	2.1
70.36810	2.7
70.37201	3.7
70.72661	1.2
73.02913	2.6
79.05473	2.7
81.03409	2.6
81.07066	2.3
85.02429	2.6
85.02906	33.2
86.09715	3.0
91.05466	6.6
93.07040	7.7
95.04983	3.1
95.08604	1.9
97.02892	9.4
105.07030	10.4
107.04967	1.9
107.08589	27.4
109.02835	3.0
109.06465	1.8
109.10185	2.3
114.11401	1.5
119.08569	1.6
121.06476	3.1
123.04353	1.6
123.11680	1.8
127.03912	5.8
129.91548	1.6
133.10135	21.8
135.11684	23.5
137.05995	2.0
137.09604	2.4
145.04913	3.1
146.83456	1.6
148.07397	1.6
151.11186	3.4
161.09631	15.4
167.24472	1.6
179.10658	38.8
186.02097	2.4
197.11723	100.0
198.12004	2.2
227.52023	1.5
289.05148	1.4
291.93814	1.4
345.66742	1.5
380.08307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98539	5.4
54.01122	5.8
55.01869	12.0
55.05511	28.3
56.96558	7.8
57.03432	12.0
57.07062	9.2
67.05502	30.5
67.58939	6.5
68.99779	8.3
69.03438	55.2
69.07067	100.0
71.04986	10.4
71.59225	6.6
75.53017	5.2
79.05484	20.3
81.03419	25.0
81.07044	39.2
83.04965	16.5
83.08595	12.2
85.02902	32.4
85.06539	28.5
87.00854	24.4
87.88208	4.6
89.29052	5.4
91.05463	32.4
93.07055	42.8
95.04972	28.4
95.08593	35.4
97.02887	22.4
97.06522	11.3
97.10182	7.4
99.04437	9.5
99.08102	10.2
101.02435	6.5
105.07040	32.2
107.04934	9.8
107.08596	44.8
109.02890	13.5
109.06530	21.1
109.10148	25.0
111.04431	16.6
111.08054	23.8
111.11766	10.1
115.03915	9.1
117.01868	7.5
117.07015	14.5
119.04913	6.1
119.08569	19.5
121.06499	21.5
121.10151	32.5
123.04444	29.3
123.08051	9.9
123.11698	17.6
127.03903	11.7
129.01802	7.1
129.05466	6.1
129.07014	8.0
131.04884	7.1
131.08588	16.6
133.06511	7.2
133.10124	16.3
135.08052	10.3
135.11682	19.0
137.05998	31.9
137.09607	16.8
139.07544	16.4
139.11185	13.7
141.01477	38.5
141.12750	9.2
143.08542	11.4
145.06575	7.7
145.10123	13.4
147.11690	10.2
149.05927	16.0
149.09641	9.6
151.07468	5.2
151.11191	8.0
153.12720	6.7
157.10161	8.4
159.02945	5.4
159.08070	10.1
159.11691	21.2
161.06012	7.5
161.09573	15.4
163.07584	9.3
163.11223	12.8
165.05502	6.2
165.12695	12.1
167.07024	26.9
169.12251	8.7
173.09630	6.2
173.13274	7.1
177.09073	7.5
177.12737	22.6
179.10637	22.1
181.77960	4.5
189.12793	4.8
189.45755	6.1
197.11674	5.3
201.03932	7.7
201.12770	13.9
215.10553	5.7
219.13727	26.6
237.14873	18.6
253.87764	5.2
271.09546	11.8
297.16907	5.5
303.12219	15.3
304.04434	5.8
323.14899	30.2
329.08810	5.7
347.10526	5.4
359.20410	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	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
57.29523	1.1
58.01284	1.2
61.02924	1.3
67.05502	1.8
69.03415	5.6
69.07049	1.6
70.06593	3.3
70.48367	3.0
70.48766	2.2
72.00145	1.1
79.05486	3.7
81.03399	3.1
81.07050	4.4
82.77003	1.2
83.04996	1.7
85.02894	11.8
86.09709	6.2
91.03941	1.5
91.05485	8.0
93.07040	7.0
95.04973	3.0
95.08585	2.4
97.02885	4.1
98.97558	1.3
99.04378	1.2
103.05437	1.5
105.07034	10.6
107.08593	33.8
109.02877	3.5
109.06499	2.0
109.10165	1.8
119.04958	8.2
119.08580	5.8
121.06545	1.9
121.10133	6.2
123.04461	1.4
123.11718	2.8
127.03938	2.9
133.10139	22.4
135.08076	2.0
135.11728	1.4
137.05965	5.3
139.07527	2.0
145.05028	1.6
147.04388	7.7
147.53471	1.7
149.09613	4.2
151.03923	2.4
151.07608	1.9
151.11163	8.6
161.09627	5.5
165.05481	5.7
167.07069	2.2
167.10664	14.4
179.07040	20.2
179.10669	17.5
186.02223	3.2
187.02567	1.9
197.08102	14.8
197.11732	100.0
198.12099	2.2
200.13925	1.7
296.53915	1.3
302.61920	1.3
359.16977	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01860	5.1
57.03429	6.4
58.71865	2.1
61.02915	6.0
67.05492	6.6
69.03429	17.8
69.07062	3.4
70.06591	19.5
71.58806	3.2
72.08141	5.7
73.02915	3.0
79.05491	4.7
81.03403	7.4
81.07061	5.2
84.08143	4.0
85.02428	4.0
85.02908	46.9
86.09695	7.5
87.04459	3.4
91.03975	2.1
91.05457	11.6
93.07035	8.6
95.04956	7.0
95.08593	6.5
97.02901	15.2
98.97506	2.6
105.07015	14.2
107.04930	3.5
107.08587	66.6
109.02866	6.0
109.06505	4.3
109.10148	11.7
119.04952	2.3
119.08546	4.6
121.06475	4.6
123.04427	10.5
127.03912	11.3
130.06491	3.3
133.10143	31.7
135.11687	12.1
137.05956	4.1
137.09608	8.8
139.03893	5.3
141.41023	2.3
143.05037	2.0
145.04984	11.4
146.06064	3.6
146.07149	2.3
147.04407	5.0
150.03177	2.2
151.03967	3.5
151.11194	6.2
157.07661	4.8
161.09633	7.5
165.05434	4.5
167.07047	2.8
177.05447	3.0
179.10614	29.0
179.11942	3.1
186.02196	6.3
187.02473	7.3
191.06995	8.3
197.11707	100.0
208.09724	6.1
215.01947	2.9
313.05804	3.0
359.12518	3.2
359.16772	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1618
Annotation	14,15-Dihydroxygelsenicine
Peak:m/z	Relative Intensity
54.04848	11.5
57.07030	12.0
64.12347	12.2
68.60571	10.6
69.39940	27.9
69.40353	100.0
79.50362	11.7
81.07062	21.8
88.72878	11.3
90.50623	14.0
91.05430	14.9
93.07008	25.9
105.07044	17.7
107.08569	13.1
133.10088	12.6
149.01196	21.6
171.70158	13.3
294.04538	12.1
336.15671	25.8
359.16333	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	359.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
55.01872	1.7
55.05524	0.7
57.03432	0.9
57.07074	1.1
59.05005	17.6
67.05494	1.0
67.15598	0.6
68.99792	5.8
69.03430	1.0
69.07072	2.5
69.34541	7.7
71.04980	2.2
81.03428	1.7
81.07040	2.2
85.06530	1.3
89.06046	1.3
91.05468	1.7
93.07024	1.7
95.04974	1.3
95.08615	2.0
96.92386	0.6
97.79107	1.0
103.05481	1.4
105.07012	1.8
107.04944	1.8
107.08585	1.0
107.73833	0.8
114.88630	0.8
115.05476	1.2
117.06994	2.0
119.08561	0.8
123.04476	1.1
123.11671	0.8
127.03907	1.5
128.06239	1.0
129.06995	2.7
131.04916	2.2
131.08572	1.5
133.02904	1.3
136.76143	0.7
137.02348	7.5
137.05988	2.4
141.01472	12.7
141.07018	2.6
143.08575	1.1
144.05754	0.9
145.02821	1.8
145.06499	2.6
147.04405	4.8
150.03114	0.9
153.06995	1.1
157.06473	1.7
159.08064	1.7
161.05991	4.7
163.03979	1.1
163.07498	1.3
167.07063	2.4
169.06468	4.0
171.04427	2.1
171.08116	1.0
173.02361	22.0
173.05939	4.7
174.02997	1.1
175.03902	2.2
175.07536	1.0
181.04993	1.2
181.06474	7.7
185.06003	2.9
187.03983	1.4
187.07545	3.4
189.05447	1.9
195.08090	1.0
197.05977	4.9
199.07513	2.1
201.05443	5.5
205.12228	2.0
209.05980	23.9
213.05499	1.7
213.09001	1.1
215.07053	3.8
222.22179	0.8
225.05380	1.3
225.09067	2.0
227.07033	4.3
229.04846	1.6
237.05496	10.0
243.06563	4.6
255.06526	23.0
255.09439	1.3
255.10370	1.2
257.04510	0.9
258.05225	1.8
265.04956	1.6
267.09930	0.8
271.06027	100.0
272.06305	5.0
273.03952	3.7
275.05389	1.5
283.06030	91.4
284.06363	3.9
287.05569	1.4
290.23788	0.8
298.08276	1.3
299.09113	10.7
301.07007	1.2
323.09070	1.0
341.10181	7.2
341.13629	1.1
359.11194	5.1
359.15094	1.7
359.19876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	37.4
71.57561	12.5
71.95232	6.0
83.02655	6.9
85.02943	5.9
89.23269	5.7
92.10216	6.6
97.02863	7.7
98.97566	48.3
99.88219	7.0
116.98623	77.6
119.01905	34.0
134.99652	100.0
137.02892	9.9
139.11641	6.7
142.03525	7.7
153.00714	22.9
177.00894	26.8
179.00734	9.5
190.95428	18.4
192.98712	7.2
208.96626	12.8
216.98605	6.5
219.01958	31.7
221.01659	9.2
230.93422	8.7
232.96394	31.5
234.99728	22.1
236.99638	9.6
250.97525	33.9
252.97374	6.8
256.96576	21.0
261.00177	6.7
261.02951	31.1
263.02936	16.0
271.03290	6.8
274.94473	8.9
274.97604	38.8
275.97800	11.8
277.00842	27.1
288.92264	11.7
292.95328	9.5
292.98685	13.3
298.97699	10.0
300.97626	7.8
301.01001	14.1
316.95294	12.3
316.98825	29.2
330.92938	8.8
334.96335	28.6
340.98541	9.0
358.99829	13.7
370.91263	10.0
376.97269	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	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74054	5.3
53.03951	7.1
55.05519	9.8
56.96557	7.8
57.03448	9.0
66.62163	7.4
67.05501	31.0
68.47321	6.2
69.07071	43.1
69.96726	36.5
71.04988	7.6
79.05488	29.2
81.03428	10.8
81.07050	28.3
83.83904	5.5
91.05486	25.1
93.07027	20.5
95.04971	19.5
95.08627	10.0
95.55865	6.7
97.06528	100.0
98.21405	8.3
105.07018	19.2
107.04971	33.4
107.08572	22.4
108.05237	8.2
109.06549	9.1
115.07553	13.8
117.06990	7.1
121.10165	11.7
121.32559	6.1
123.11670	6.7
127.04015	8.0
129.07028	7.7
131.08560	12.6
133.06535	13.1
133.10234	6.1
134.06842	6.3
135.11678	7.9
149.13208	6.7
157.10129	9.1
165.05516	6.7
177.12718	9.6
187.98624	6.4
210.41058	5.6
278.82181	6.1
288.11581	7.8
340.16171	9.3
357.29913	5.7
358.16901	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	358.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03941	0.5
56.96560	0.2
57.07080	0.3
67.54369	0.2
69.07047	0.1
70.06599	0.3
71.59214	0.3
72.08139	0.2
77.03933	0.3
78.23040	0.1
87.04470	1.2
88.07611	0.2
95.04980	0.7
96.04503	0.5
97.99689	0.2
99.06522	0.1
104.04976	2.4
132.04451	100.0
133.04784	1.6
138.01100	0.2
140.52571	0.2
150.05498	1.0
153.02165	0.2
164.07066	29.1
165.07515	0.4
173.07109	0.5
173.68253	0.2
195.03214	0.7
204.71918	0.2
207.03259	0.7
298.31036	0.3
326.06909	3.8
327.07047	0.2
335.18768	0.3
353.20065	0.4
358.33014	1.2
358.36832	0.6
381.66147	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	358.059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
54.03448	0.4
55.01865	0.6
55.05521	0.3
56.98015	0.5
57.03421	0.2
58.99572	0.6
59.04974	0.3
66.05789	0.2
67.05505	0.4
68.05045	1.2
69.03429	2.4
70.06593	1.2
70.39357	0.6
70.99563	1.4
71.04977	0.5
71.99091	0.3
79.05474	0.4
81.03418	2.5
81.07043	0.3
84.04478	0.3
84.97485	0.4
85.01144	1.3
85.02904	1.0
86.03652	0.5
86.09701	0.3
87.04473	0.7
91.05450	0.3
93.07025	0.5
95.04950	0.4
95.08588	0.3
96.04488	0.7
97.01111	1.0
97.02286	0.4
97.02894	8.2
97.93549	0.2
98.06084	1.0
99.04424	1.2
103.07574	0.2
105.07046	0.5
107.04935	0.7
109.02886	3.4
109.06569	0.3
109.10156	1.0
110.06093	0.3
112.02162	1.0
113.00588	2.5
114.00102	1.0
114.05474	0.3
116.07112	0.6
119.08598	0.6
119.93511	0.2
122.00627	0.3
124.02176	0.8
124.03855	0.2
126.03751	0.4
127.00881	0.8
127.03907	3.3
129.06972	0.2
129.88991	0.2
129.99619	0.3
133.10132	0.3
134.08098	0.6
137.05975	0.4
137.09589	1.9
140.01660	1.3
142.04948	1.2
143.00362	0.9
143.08556	0.5
147.08051	0.5
161.09596	2.8
164.01619	0.4
165.09108	2.0
166.06944	0.3
168.01132	1.2
178.04932	0.5
179.10654	0.2
186.02202	100.0
187.02534	1.4
189.09093	0.5
194.06329	0.5
207.10173	0.8
208.04303	0.8
212.07390	2.7
214.01686	16.1
214.59419	0.2
215.01956	0.2
225.11142	0.2
228.03220	0.4
232.02744	5.4
236.03737	0.6
254.04739	0.3
264.03186	1.0
266.04843	0.6
274.03735	0.3
294.04324	1.0
310.03735	1.4
312.05347	9.2
313.05777	0.3
340.04858	0.8
358.05927	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	70.9
55.89372	7.4
57.03437	12.3
57.07076	39.7
59.48956	6.4
63.01390	7.0
67.05509	93.0
69.07066	100.0
70.06601	13.5
71.08624	27.4
71.59539	6.2
71.59923	7.9
77.59801	6.5
79.05502	55.3
81.07057	98.6
83.08620	73.2
85.10170	16.8
87.29305	6.7
88.07635	16.6
89.07943	6.6
93.07050	61.5
95.08610	88.3
97.06525	31.2
97.10191	41.6
100.70262	7.6
107.08595	61.1
109.10143	48.3
111.08080	14.4
111.11710	15.3
121.10138	86.7
123.11722	23.3
128.85332	7.6
132.04462	23.0
135.11714	60.2
137.13321	9.9
143.14108	7.3
149.13255	29.3
151.14760	9.2
153.12737	6.6
163.14835	15.6
165.16365	10.1
177.16422	8.5
186.03009	7.6
247.24219	92.0
265.25241	64.9
339.28903	39.0
346.75302	7.6
357.35501	88.3
358.36682	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	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57468	2.3
55.01863	3.4
55.05267	4.4
55.05508	54.0
56.05836	3.2
57.02739	2.3
57.03428	9.1
57.07077	29.1
67.05505	49.4
68.23755	2.2
69.07066	68.3
69.15542	2.4
69.86285	16.4
70.06590	15.9
71.06922	3.3
71.08623	15.8
79.05491	27.7
81.07056	64.9
83.04985	3.8
83.08617	45.0
85.10147	9.9
87.81710	2.7
88.07621	18.7
89.07977	5.1
91.05428	4.8
93.07043	43.0
95.04928	3.4
95.08614	48.1
97.06532	22.8
97.10159	34.8
99.08088	3.6
102.09161	3.3
103.03960	3.8
106.08643	6.6
107.08575	33.0
109.10147	31.4
111.08080	6.9
111.11688	9.2
119.08585	4.3
121.09317	5.2
121.10143	63.0
123.11672	9.3
125.09605	5.7
125.13280	4.1
129.05423	3.1
132.04424	31.8
135.11688	49.6
137.13188	4.4
139.11159	5.1
146.06009	5.9
149.13263	19.0
149.21637	2.5
151.14774	3.4
153.12701	4.5
163.11163	2.9
163.14812	9.8
164.07030	6.0
165.16373	8.2
176.39920	3.2
177.16370	6.0
181.15784	2.8
191.17958	4.0
199.79160	2.6
241.98779	2.6
247.24223	44.7
265.25314	33.2
266.24524	2.7
268.06363	2.8
272.90887	2.5
297.06097	2.9
301.01602	3.2
321.79562	2.7
339.28876	24.8
339.34531	4.4
357.30508	5.6
357.35513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01851	2.2
55.05268	2.5
55.05510	41.2
57.03424	7.7
57.07074	25.3
67.05505	38.5
69.07068	56.7
69.87931	4.1
69.88339	6.7
70.06595	10.2
71.06927	2.6
71.08639	13.3
79.05492	26.1
81.07057	47.8
83.05004	3.1
83.08619	38.6
85.06502	1.5
85.10185	9.4
88.07635	13.6
89.07974	2.0
91.05457	3.1
93.07037	35.7
94.07406	1.9
95.04974	2.4
95.08609	39.2
97.06536	16.6
97.10174	24.4
98.20744	2.1
102.09184	3.1
103.03960	2.9
106.08675	7.1
107.08587	25.0
109.10149	19.2
111.08094	10.2
111.11723	9.1
119.08601	2.7
121.10143	46.2
123.11684	8.2
125.09642	3.9
125.13273	1.9
129.05457	2.6
129.09126	2.0
132.04413	7.3
135.11696	37.3
137.13251	2.0
139.11182	3.7
149.13235	15.3
151.14813	4.7
153.12746	2.8
163.14812	6.1
165.16389	3.7
177.16385	4.4
181.15904	2.9
191.17918	3.2
195.17439	2.2
224.05486	1.7
247.24220	31.1
265.25275	27.9
283.26297	2.1
339.28946	16.3
339.34387	5.0
357.26227	20.0
357.35535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.5
64.01400	0.5
68.13131	0.4
70.75466	1.0
70.75814	0.7
71.57353	0.5
74.33827	0.5
74.78587	0.4
89.54748	0.5
95.08595	0.6
105.07046	0.6
107.04945	0.9
114.02499	0.4
118.88741	0.5
123.04472	0.5
137.05957	1.7
147.04395	0.7
149.05901	0.5
151.03859	0.9
175.71407	0.5
186.02197	1.0
195.03226	2.7
249.09293	0.6
259.23062	0.4
283.06195	0.7
283.15137	0.6
325.10608	1.0
357.18835	100.0
358.19241	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	357.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21241	5.9
55.01862	15.1
55.05503	30.4
57.07059	8.8
59.51227	6.1
62.05050	5.6
65.03929	7.7
67.05506	43.9
67.83621	5.2
69.03416	16.4
69.07071	36.7
70.19576	20.6
71.04969	8.8
79.05492	29.4
81.03382	14.1
81.07056	89.0
83.04990	9.1
83.08646	12.7
85.02878	8.3
85.06551	16.4
89.06339	5.2
91.05415	29.2
93.07034	51.7
95.04957	19.5
95.08615	100.0
97.02857	6.3
97.06536	27.8
97.10152	9.8
99.04431	9.1
99.40285	5.5
100.11288	7.4
101.05994	6.0
103.05437	15.6
105.07068	27.8
107.04968	30.4
107.08597	52.4
109.02942	6.0
109.06510	11.0
109.10161	44.3
110.29646	5.5
111.04400	11.1
111.08086	32.1
114.09155	13.9
115.05521	10.8
117.07008	10.6
119.08574	28.2
121.02867	10.5
121.06540	9.3
121.10168	32.3
123.04408	22.5
123.08031	14.1
123.11723	52.3
129.06987	8.5
131.04939	8.3
131.08574	6.0
133.10147	28.8
135.11696	20.8
137.05962	46.1
137.09612	21.2
137.13309	7.4
139.07541	13.1
139.11197	9.9
145.10129	10.9
147.04408	11.2
147.11687	19.7
149.05963	7.5
149.09628	6.6
149.13339	13.3
151.03879	16.5
151.11221	18.5
153.05524	6.4
153.06911	6.5
153.12779	6.2
159.11649	11.9
161.05974	15.7
163.07503	10.7
163.11174	7.8
164.08327	7.4
165.05495	20.5
165.06946	12.2
165.09033	7.4
165.12785	9.6
167.07040	10.3
167.10699	18.0
173.13237	8.0
175.07521	8.6
175.11082	9.5
177.05469	9.4
179.08557	7.5
183.02679	6.0
183.04396	6.7
185.11794	7.6
186.02225	10.1
187.07704	7.1
189.09007	7.7
191.03485	7.5
191.07079	43.8
203.06995	8.7
205.08745	5.8
205.15982	6.9
209.06036	7.5
210.15019	8.4
215.06973	11.2
217.08510	6.6
219.08195	9.7
221.11833	12.5
222.06828	6.5
223.07634	6.7
225.08913	6.0
235.07549	8.0
237.09129	5.6
247.07690	12.0
247.13350	37.3
251.06891	9.0
254.09615	5.7
256.37674	6.0
257.07886	7.3
264.07849	9.6
265.08493	7.1
279.10135	8.8
291.23203	6.9
295.09885	8.5
297.11133	12.5
299.09341	7.3
303.23120	14.4
307.09760	14.0
321.24231	9.9
325.07187	6.2
325.10684	25.1
329.13852	17.1
339.25446	10.1
357.13385	30.4
357.18790	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Lespeflorin C3
Peak:m/z	Relative Intensity
52.68208	2.0
53.03947	3.2
55.01874	5.2
55.05499	8.2
55.62524	1.7
56.96567	7.1
57.03426	2.0
61.02934	2.5
62.72545	2.0
63.97451	2.1
67.05196	3.0
67.05504	19.0
68.99812	3.2
69.03439	5.4
69.07077	10.3
69.71758	2.1
71.01355	2.5
71.04993	5.3
71.20071	3.2
71.20412	3.7
77.95713	2.2
79.05500	13.5
81.03420	7.3
81.07053	17.6
83.04987	2.6
83.08620	5.1
85.02917	5.7
91.05417	10.6
91.90340	2.0
93.07045	12.6
95.04980	5.9
95.08611	7.4
97.02892	3.8
97.06539	7.1
98.97603	3.6
104.20202	1.9
105.07030	9.7
107.04964	6.5
107.08621	7.4
109.02914	2.8
109.06526	7.1
109.10186	3.0
110.02048	2.2
111.08103	2.9
115.05463	2.4
116.98599	3.6
117.06995	2.8
119.04954	2.6
119.08587	8.3
121.02829	2.5
121.06493	2.6
121.10153	6.1
123.04440	7.7
123.08116	3.4
129.07013	5.8
131.04886	2.3
131.08539	3.8
133.06503	2.3
133.10115	3.0
134.99667	3.3
135.11678	4.1
137.02370	9.4
137.06001	6.0
143.08566	5.0
145.06503	3.8
145.10106	3.1
147.04434	9.3
147.08105	3.3
149.01247	5.1
149.02344	3.2
149.05949	5.0
149.13226	4.8
151.03891	3.2
151.07547	3.0
155.08585	4.0
158.07181	2.3
159.08128	2.5
159.11740	2.2
160.05180	4.0
161.06006	12.6
161.09641	2.2
163.03961	4.6
163.07524	4.4
167.03435	6.4
169.08641	3.8
169.10002	2.1
171.04454	2.1
171.08066	2.4
173.06042	15.9
174.06776	14.7
175.03944	6.8
175.07590	7.2
176.04724	3.4
177.05467	2.8
177.09219	2.6
181.06548	3.0
181.10110	2.3
185.06033	5.7
186.06706	4.2
187.03903	18.0
187.07571	6.1
188.08316	12.4
189.05513	4.1
189.07420	2.8
189.09123	46.1
191.03336	3.6
191.06885	2.1
195.08174	2.9
195.13812	2.9
197.05939	5.9
198.06783	4.0
199.07599	6.2
201.05515	8.5
201.09113	26.7
203.07068	10.4
209.09622	3.7
211.07584	5.0
212.08401	7.6
213.05435	5.0
213.09108	9.3
214.06332	3.4
215.07034	3.5
215.10672	2.2
217.05003	2.4
218.07143	2.3
221.08005	14.6
225.09242	5.2
226.06415	2.7
227.07047	6.7
227.10626	11.1
229.04991	5.2
229.08676	5.2
231.06691	2.2
237.09172	5.8
239.07066	3.2
239.10718	2.4
240.07919	5.0
241.08640	5.2
247.09653	2.8
251.10782	8.3
255.06425	3.1
255.10190	17.8
257.08118	5.8
263.10699	5.0
269.08072	3.6
269.11835	4.2
273.11279	6.0
279.10318	3.8
283.09610	20.1
285.10141	4.7
293.15433	3.4
301.07126	5.0
301.10693	100.0
302.10953	2.4
315.12387	2.7
321.05133	3.0
321.15176	3.6
339.16016	5.1
357.13153	4.0
357.16959	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	357.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
53.34529	1.0
53.51266	0.9
55.01868	1.6
55.05508	2.0
55.98969	0.9
56.96564	2.2
57.03430	1.6
57.54123	1.0
58.49277	0.9
59.04992	1.0
65.85708	1.1
67.05501	3.4
69.03402	1.5
69.07067	2.5
70.41009	1.3
70.41354	4.0
73.02911	1.4
77.66983	1.0
78.04716	1.8
79.05508	7.3
80.43410	1.0
81.03421	2.0
81.07048	4.8
85.02917	1.2
91.05471	15.9
93.06543	1.0
93.07036	6.0
95.04968	4.5
95.08615	2.3
97.02884	2.5
97.06548	1.9
98.84211	1.0
103.05465	4.6
105.07030	20.8
106.04176	2.2
107.04945	8.4
107.08598	2.0
109.06554	2.4
115.05450	14.1
116.06224	1.9
117.07014	17.3
119.04953	3.3
119.08588	4.5
121.06506	20.8
121.10173	1.3
123.04413	7.7
124.05242	3.1
125.06040	1.1
128.06207	13.7
128.52199	1.0
129.07024	1.8
131.01570	0.9
131.04932	3.8
131.08583	2.9
133.06483	21.3
133.10197	1.1
134.07307	1.9
135.04381	1.3
137.05981	7.2
141.07060	1.4
143.06076	1.6
143.08571	11.9
144.05624	1.1
145.06444	5.3
147.04417	4.5
147.08067	1.7
148.05170	1.1
149.05981	3.2
149.09599	8.2
151.03972	2.7
152.04662	2.3
153.05452	1.1
157.10150	1.1
159.08063	1.4
161.05981	24.2
162.06758	3.6
163.07573	1.3
165.05470	3.8
167.07040	74.4
171.08043	12.9
173.18977	1.1
175.07599	3.5
175.78207	1.0
177.09106	100.0
181.08606	4.4
187.07498	1.3
188.08321	1.4
189.09166	1.3
191.07004	2.3
191.10684	1.9
193.08591	33.7
193.10298	1.9
203.07018	1.1
203.10655	28.0
205.08577	2.8
245.05132	1.2
247.13290	1.1
265.08771	1.1
268.07037	1.1
270.39786	1.2
301.10452	1.3
307.09702	1.4
339.12234	1.6
340.91315	1.0
357.13129	2.7
357.16809	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	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68208	2.0
53.03947	3.2
55.01874	5.2
55.05499	8.2
55.62524	1.7
56.96567	7.1
57.03426	2.0
61.02934	2.5
62.72545	2.0
63.97451	2.1
67.05196	3.0
67.05504	19.0
68.99812	3.2
69.03439	5.4
69.07077	10.3
69.71758	2.1
71.01355	2.5
71.04993	5.3
71.20071	3.2
71.20412	3.7
77.95713	2.2
79.05500	13.5
81.03420	7.3
81.07053	17.6
83.04987	2.6
83.08620	5.1
85.02917	5.7
91.05417	10.6
91.90340	2.0
93.07045	12.6
95.04980	5.9
95.08611	7.4
97.02892	3.8
97.06539	7.1
98.97603	3.6
104.20202	1.9
105.07030	9.7
107.04964	6.5
107.08621	7.4
109.02914	2.8
109.06526	7.1
109.10186	3.0
110.02048	2.2
111.08103	2.9
115.05463	2.4
116.98599	3.6
117.06995	2.8
119.04954	2.6
119.08587	8.3
121.02829	2.5
121.06493	2.6
121.10153	6.1
123.04440	7.7
123.08116	3.4
129.07013	5.8
131.04886	2.3
131.08539	3.8
133.06503	2.3
133.10115	3.0
134.99667	3.3
135.11678	4.1
137.02370	9.4
137.06001	6.0
143.08566	5.0
145.06503	3.8
145.10106	3.1
147.04434	9.3
147.08105	3.3
149.01247	5.1
149.02344	3.2
149.05949	5.0
149.13226	4.8
151.03891	3.2
151.07547	3.0
155.08585	4.0
158.07181	2.3
159.08128	2.5
159.11740	2.2
160.05180	4.0
161.06006	12.6
161.09641	2.2
163.03961	4.6
163.07524	4.4
167.03435	6.4
169.08641	3.8
169.10002	2.1
171.04454	2.1
171.08066	2.4
173.06042	15.9
174.06776	14.7
175.03944	6.8
175.07590	7.2
176.04724	3.4
177.05467	2.8
177.09219	2.6
181.06548	3.0
181.10110	2.3
185.06033	5.7
186.06706	4.2
187.03903	18.0
187.07571	6.1
188.08316	12.4
189.05513	4.1
189.07420	2.8
189.09123	46.1
191.03336	3.6
191.06885	2.1
195.08174	2.9
195.13812	2.9
197.05939	5.9
198.06783	4.0
199.07599	6.2
201.05515	8.5
201.09113	26.7
203.07068	10.4
209.09622	3.7
211.07584	5.0
212.08401	7.6
213.05435	5.0
213.09108	9.3
214.06332	3.4
215.07034	3.5
215.10672	2.2
217.05003	2.4
218.07143	2.3
221.08005	14.6
225.09242	5.2
226.06415	2.7
227.07047	6.7
227.10626	11.1
229.04991	5.2
229.08676	5.2
231.06691	2.2
237.09172	5.8
239.07066	3.2
239.10718	2.4
240.07919	5.0
241.08640	5.2
247.09653	2.8
251.10782	8.3
255.06425	3.1
255.10190	17.8
257.08118	5.8
263.10699	5.0
269.08072	3.6
269.11835	4.2
273.11279	6.0
279.10318	3.8
283.09610	20.1
285.10141	4.7
293.15433	3.4
301.07126	5.0
301.10693	100.0
302.10953	2.4
315.12387	2.7
321.05133	3.0
321.15176	3.6
339.16016	5.1
357.13153	4.0
357.16959	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	357.1695
Annotation	Glyasperin C
Peak:m/z	Relative Intensity
52.22848	4.2
55.01873	8.3
55.05497	8.8
55.93073	3.8
56.96566	10.9
59.36354	3.5
65.03949	3.9
67.01862	7.3
67.05491	12.7
69.03422	6.5
71.58696	4.7
71.59068	4.7
72.98058	4.3
79.05496	20.7
81.03408	8.7
81.07052	19.4
85.02875	5.6
85.06517	4.0
91.05418	25.3
93.03405	7.3
93.07028	19.6
94.04196	5.5
95.04956	13.0
95.08601	11.6
97.06530	7.5
103.05466	57.5
105.07041	21.1
107.04945	39.7
107.08604	9.8
109.02877	5.4
109.06493	5.0
109.10173	11.2
117.06991	5.5
119.04955	11.0
119.08588	7.6
121.06513	14.9
121.10156	5.7
122.03645	14.5
123.04424	56.7
123.08115	5.3
127.04033	4.6
131.04918	75.9
131.08571	6.0
133.06491	12.1
133.10138	9.4
135.04393	11.3
135.08054	6.5
137.05971	100.0
139.03912	7.6
143.08601	5.8
147.04413	12.5
147.08054	5.9
147.11629	4.1
149.05980	14.3
150.06749	5.0
151.03932	9.3
151.07529	12.6
152.71849	3.9
153.05463	6.7
159.07922	5.3
160.05165	5.3
161.05995	18.8
163.03883	6.9
163.07536	61.3
165.05469	68.6
165.16069	4.4
167.07014	18.5
175.07568	9.1
177.05479	9.0
179.07056	6.8
187.07724	9.1
189.09045	5.9
191.07057	49.7
193.06493	4.6
193.08621	13.2
195.10176	4.6
203.07039	10.0
203.10594	5.0
205.08603	18.7
207.08344	5.4
207.10109	21.6
215.06949	6.5
221.08127	7.1
221.11736	43.8
237.09036	5.8
237.11218	35.8
247.07468	6.6
247.13290	41.1
253.08549	5.4
257.08011	11.7
259.08591	8.4
263.12799	17.6
267.09186	8.0
269.12054	7.2
279.10013	7.2
283.09482	4.8
285.07440	7.1
285.09998	8.2
293.07916	6.5
295.09525	5.4
297.11057	8.2
301.10638	7.4
307.09656	10.2
321.11142	5.1
325.10608	6.3
327.12213	10.0
339.12183	10.6
345.01044	4.6
357.13303	28.3
357.17126	5.7
357.24020	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	357.1689
Annotation	Phosphatoquinone A
Peak:m/z	Relative Intensity
55.01875	2.6
55.05507	1.6
56.96543	2.1
57.03439	2.6
61.68037	1.4
63.17592	1.1
65.03977	1.3
67.05506	3.3
69.03441	1.8
69.07060	5.0
71.59020	1.7
78.04696	2.4
79.05482	9.3
79.87192	1.2
81.03401	1.9
81.07056	6.2
83.01353	1.6
83.05009	1.5
83.08626	1.4
85.02910	2.6
91.05463	19.7
91.05910	1.5
93.03415	1.8
93.07042	4.8
94.04174	1.6
95.04986	3.7
95.08604	4.0
95.42863	1.5
97.02877	1.3
100.22093	1.2
102.75780	1.3
103.05436	6.4
105.07026	23.5
106.04174	1.8
107.04961	10.0
107.08601	3.5
109.02879	2.5
109.06504	3.1
109.10172	2.9
111.17862	1.5
115.05459	14.2
116.06293	1.8
117.07021	15.6
119.04958	4.0
119.08588	5.5
121.06496	21.0
121.10117	2.7
123.04434	14.6
123.11731	1.4
124.05212	2.3
124.37005	1.2
128.06216	13.8
129.07028	3.4
131.04913	4.7
131.08601	5.0
133.06505	15.9
134.03583	1.7
134.07301	2.7
135.04428	3.2
135.08054	2.8
137.05972	14.9
137.09674	1.5
137.54131	1.4
141.07031	2.5
143.08560	14.3
145.06505	8.3
145.10130	2.2
147.04414	5.2
147.08018	1.9
149.06004	4.9
149.09633	4.4
149.67061	1.4
151.03949	4.9
151.07521	2.7
152.04662	2.6
153.05476	1.9
153.07011	1.8
159.08075	3.4
160.05154	1.9
161.05971	23.4
162.06732	2.6
163.03947	1.9
163.07535	4.9
165.05475	9.6
167.07043	71.6
168.07332	2.0
169.06470	1.5
171.08054	10.4
173.05981	2.1
175.03821	1.3
175.07552	5.3
177.09105	100.0
180.07713	1.5
181.08629	4.0
185.05968	2.2
187.07443	1.5
188.08257	2.3
189.09114	3.5
191.07039	18.3
191.08594	2.3
191.10596	1.5
193.08592	31.9
195.08113	1.8
203.06908	2.5
203.10661	31.6
205.08539	8.3
221.08139	1.8
221.11726	6.9
247.13295	15.9
249.05307	1.4
253.08556	1.9
261.09058	1.7
265.08505	1.7
269.08163	1.5
277.08701	1.5
283.09637	1.4
285.07443	2.4
285.10275	1.8
286.07852	3.2
301.06998	3.0
301.10364	2.0
307.09613	1.5
311.09134	7.8
324.09634	3.5
325.10541	2.2
326.11453	9.2
327.12143	1.7
339.12292	4.5
357.13205	8.2
357.16867	6.5
357.24350	2.0
357.28421	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01871	2.1
55.05502	1.6
56.96561	1.9
61.02928	1.2
67.05502	2.5
68.99780	4.8
69.03432	1.5
69.07063	3.0
69.89908	4.5
79.05495	6.9
81.03415	1.5
81.07041	8.7
85.02894	2.6
91.05466	7.4
93.07046	3.6
95.04958	4.2
97.02884	1.4
98.20854	1.5
103.05466	1.1
105.07042	3.8
107.04952	15.4
109.06508	7.0
115.05450	4.1
119.04195	0.9
119.04898	4.6
119.08585	1.2
120.05696	1.3
121.06536	7.7
122.03650	9.3
123.04430	10.9
125.05979	8.4
129.07004	1.5
131.04958	1.3
133.06503	4.1
133.10138	1.7
134.06821	1.1
135.04465	1.6
135.05486	1.9
135.58119	0.9
137.05977	9.7
138.06702	0.9
143.08566	1.5
147.04407	18.2
147.08040	1.7
149.02338	1.4
149.05975	5.7
151.07515	1.9
153.05476	8.1
155.07037	13.7
157.71921	1.1
160.05219	3.4
161.05989	37.0
162.06505	1.1
163.03990	1.4
163.07547	1.3
165.05438	7.6
166.05893	1.1
167.03334	3.6
167.07042	100.0
168.07465	1.7
173.06024	1.8
174.06749	6.2
175.03859	1.6
175.07542	5.9
177.09116	3.9
179.06992	2.1
181.08560	4.0
187.07498	2.4
188.08289	2.8
189.09047	1.3
191.06996	2.4
193.08467	1.0
199.07564	1.1
201.05309	1.0
203.07028	3.6
203.10664	26.7
204.11128	1.4
205.08569	1.1
209.11749	1.7
219.10094	1.3
221.08081	5.5
237.11208	3.0
254.05667	1.9
255.06534	1.6
255.09996	1.2
263.12894	1.3
269.08084	4.6
270.08755	2.3
273.11255	1.8
279.10156	1.1
281.08206	1.1
283.06027	1.5
283.13748	1.3
285.10165	2.7
287.12289	1.0
299.09174	6.5
301.10693	31.7
315.08630	1.6
324.13086	3.0
325.10776	1.1
325.14511	2.8
329.13910	1.3
357.13214	3.5
357.16968	11.3
357.23923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35016	3.8
69.35410	0.9
70.06632	0.3
74.80025	0.4
92.10404	0.4
103.99038	0.5
126.03241	0.5
158.12595	0.4
198.05276	100.0
199.05568	1.5
235.35597	0.4
325.67618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90571	0.4
55.01842	0.8
57.03421	1.8
60.08163	8.3
61.02914	2.3
65.03929	2.3
69.03434	6.9
69.95457	2.3
70.06567	0.6
71.01350	0.7
71.04974	0.9
73.02924	1.2
81.03425	3.0
82.06584	0.9
85.02905	16.8
86.09683	0.7
87.04446	1.2
91.05789	0.7
92.04996	2.0
93.03416	0.9
93.05785	2.2
94.06577	1.1
95.04968	0.5
97.02878	3.8
99.04430	1.2
103.03939	0.7
108.04484	5.1
108.71413	0.5
109.02871	2.1
110.06043	60.8
111.04441	3.3
123.04398	0.8
127.03908	3.0
134.06073	0.7
136.03944	0.6
137.05962	2.8
152.07047	1.4
153.06593	4.6
163.03848	0.9
177.05405	0.9
186.02191	4.8
195.11292	100.0
196.11575	1.8
196.44463	0.5
214.01871	0.5
237.12338	2.0
286.76343	0.5
289.29465	0.5
323.90326	0.5
357.15610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
56.49208	1.3
67.05482	3.7
69.03421	3.0
69.07052	1.8
70.06598	2.3
70.94802	3.7
71.04977	1.4
76.07645	1.3
79.05466	1.8
81.03406	2.9
81.07035	4.0
83.04990	1.5
84.08140	1.7
85.02897	4.1
86.09672	2.0
91.05806	2.4
97.02884	3.1
101.81629	1.4
103.05468	1.8
105.07001	3.1
107.08572	1.3
109.02872	3.6
109.10141	2.4
111.08110	2.0
117.10769	1.2
120.81434	1.4
123.04389	2.9
127.03853	2.7
129.05634	1.4
131.08545	1.5
133.06488	1.3
133.10150	1.8
135.04393	1.6
137.06001	2.6
166.08528	1.3
167.06873	1.9
177.05374	1.2
186.02196	32.6
195.01083	3.3
214.01758	3.4
227.05260	1.8
245.06395	1.8
271.11411	2.7
287.03683	2.8
289.05304	7.1
312.05383	2.9
313.12595	27.4
357.11523	100.0
358.11920	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	357.1333
Annotation	Moracin Q
Peak:m/z	Relative Intensity
53.03940	1.4
55.01864	2.9
55.05494	3.1
57.03439	1.7
60.68989	1.1
61.07159	1.0
62.65333	1.1
62.90220	0.9
65.03932	2.5
67.01861	1.4
67.05511	16.4
68.99806	2.5
69.03423	4.4
69.07054	3.9
69.46662	9.6
71.04988	3.5
73.02884	1.3
79.05502	8.7
81.03417	8.7
81.07056	17.9
83.01344	13.8
83.04974	2.5
83.08611	3.0
85.02911	5.3
85.06544	2.0
90.08110	0.9
91.05441	10.1
93.07042	13.6
95.04967	3.3
95.08605	6.1
97.02889	3.7
97.06516	3.2
97.49020	0.9
98.14941	1.1
99.04464	2.1
99.08084	1.6
103.05466	6.7
105.07027	6.5
107.04980	7.1
107.08615	7.7
109.02862	5.0
109.06558	1.7
109.10178	1.2
110.06060	1.1
111.08105	2.1
115.05434	2.5
116.14876	1.0
117.07015	4.7
119.04934	3.2
119.08576	2.6
121.06510	3.2
121.10158	5.6
122.03628	2.6
123.04409	8.5
127.03917	5.1
129.06973	1.6
131.04929	12.0
131.08560	4.3
133.06477	3.1
133.10139	3.3
135.04428	2.7
135.08043	2.2
135.11716	2.1
137.02342	1.1
137.05981	22.4
141.05438	1.5
141.07039	1.1
143.08578	2.3
145.06508	2.5
145.09966	1.0
147.04405	3.9
147.08041	2.8
149.05948	2.6
149.13263	10.1
151.03912	9.3
151.07545	4.1
153.05481	2.1
153.06912	1.5
155.08557	1.3
159.07996	2.5
159.11702	6.3
160.05164	1.9
161.05957	6.3
163.03889	13.4
163.07547	7.6
165.05489	7.3
165.06856	1.9
165.09087	1.4
167.07065	4.9
167.08456	1.9
169.06461	1.1
171.08098	3.2
173.06004	4.8
173.09547	1.7
175.07590	8.1
177.05466	3.2
177.09105	2.8
177.12709	2.3
179.07071	1.7
181.08630	5.2
183.08038	4.4
185.05992	1.7
186.06602	1.5
187.04024	1.5
187.07483	8.0
189.05435	1.9
189.09081	2.5
191.07024	3.9
193.08528	1.3
194.07326	1.4
195.08148	1.3
195.13776	6.0
197.05923	2.5
197.09720	1.3
198.06708	1.7
199.07535	1.8
201.05467	5.7
201.09093	2.8
203.07059	3.3
203.10672	4.1
205.08609	6.5
207.10213	3.3
211.07535	5.2
212.07942	1.2
213.05473	1.8
213.09129	2.0
214.06259	2.5
215.07014	12.5
216.07579	1.2
217.08598	3.8
219.08278	1.2
223.07518	2.0
224.98717	1.0
227.06982	1.5
228.07713	1.6
229.04955	2.9
229.08478	6.1
234.08911	1.6
237.11137	5.5
239.07097	3.3
240.07860	1.6
241.08641	1.5
242.05737	1.4
243.06561	4.5
247.07602	1.6
247.13383	1.9
249.09239	1.3
251.06985	1.6
255.06528	1.3
256.07309	4.6
257.08084	17.2
258.08566	1.1
263.12799	3.5
265.12198	2.0
267.06604	2.2
269.08032	5.6
269.12000	1.3
271.05981	5.5
271.08765	1.1
272.06937	2.5
279.10031	1.5
283.05963	2.5
283.09314	1.2
285.07559	100.0
286.07904	14.3
293.11716	3.9
295.09744	1.2
296.06830	6.0
296.09946	1.3
297.07544	4.8
297.11090	2.3
299.08713	2.3
307.09702	2.8
309.07672	1.2
310.08279	1.3
311.12833	7.3
321.11063	1.9
324.09583	6.5
325.10400	1.9
327.12152	1.9
329.13675	1.8
339.12231	25.4
340.12607	1.4
357.13284	84.5
358.13507	4.0
361.13852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06540	9.5
55.01876	13.5
55.05508	23.8
56.67618	7.8
57.03438	13.0
66.54952	8.3
67.05500	80.9
68.26548	9.0
69.03422	14.2
69.07066	24.4
71.59096	18.6
79.05482	39.3
81.07066	54.2
83.04965	20.9
85.06527	14.1
91.05408	49.5
93.03728	9.0
93.07066	52.3
95.04970	32.0
95.08596	32.8
97.06518	82.4
105.07034	59.4
107.04964	19.5
107.08613	37.1
109.06531	22.6
109.10172	50.8
111.08082	13.0
119.08620	17.3
129.07031	11.2
131.08553	22.3
133.06490	24.4
133.10126	100.0
144.69148	8.8
149.09633	16.7
151.11154	55.7
161.05995	11.2
183.14032	8.9
193.08607	17.7
289.18082	25.4
289.66238	9.8
321.20474	14.3
333.17389	10.2
357.20013	76.2
375.11990	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	356.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	18.6
55.05513	32.1
56.96561	13.8
57.03429	10.8
57.60674	5.9
62.17306	7.0
67.05495	29.6
69.07087	15.4
71.58749	7.3
71.59151	7.9
73.17063	6.0
73.81222	6.0
79.05503	34.0
81.03413	27.6
81.07062	44.0
83.01341	15.6
83.04965	25.2
83.08611	19.4
85.02915	15.2
91.05473	22.0
93.07055	39.2
95.04956	16.1
95.08609	13.0
95.42730	7.6
97.02874	10.7
97.10172	10.9
105.07022	14.4
107.04957	18.3
107.08561	18.6
109.06496	9.3
109.10184	11.9
111.04455	26.9
111.08036	12.4
117.06980	18.2
119.04950	6.1
119.08582	27.4
121.02927	8.4
121.06429	6.9
121.10151	18.0
123.04408	20.7
123.08096	13.7
125.06004	10.1
125.09627	17.2
128.06210	6.6
129.06989	8.7
131.04939	10.6
131.08569	11.8
133.06494	15.2
135.08096	14.5
135.11708	18.7
137.05971	13.7
145.10115	22.1
147.04393	19.6
149.05957	16.3
153.05400	12.2
153.12738	16.6
160.05180	11.5
161.05930	33.1
163.07483	10.9
163.11195	49.6
165.05463	19.5
167.06996	8.0
168.04164	10.6
169.05003	20.4
173.06035	11.8
173.09633	15.2
174.06757	28.2
175.07527	15.7
176.07959	12.0
177.05444	10.8
181.12195	22.6
187.07597	11.1
188.08295	40.1
188.23380	7.3
189.09117	100.0
191.06961	8.0
191.10678	43.7
193.08577	16.1
199.07414	7.4
201.09068	19.4
203.10785	8.9
203.12686	9.5
209.11729	42.5
211.07610	13.4
212.07889	6.8
221.11787	20.2
223.13292	16.7
227.12805	56.6
239.07222	7.4
241.14346	18.8
261.18570	7.0
267.06528	16.4
268.06921	13.2
271.17053	10.1
277.08545	11.8
284.06943	6.8
285.07178	8.6
289.17920	26.3
295.05887	32.3
300.06262	19.5
300.09354	9.3
301.10596	9.7
307.19003	15.2
313.07010	82.9
314.07513	13.9
321.20541	24.5
323.09140	7.3
324.13199	9.7
341.10214	19.9
356.08197	11.3
356.12399	54.2
356.15717	8.2
357.13141	21.3
357.16971	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
53.28251	1.3
53.30900	1.1
53.79509	1.1
55.05513	18.1
56.96553	2.1
57.03435	1.7
60.08163	2.5
61.02893	1.3
62.99070	4.3
67.05505	3.1
69.03433	2.1
70.18024	4.3
71.04995	22.6
72.05772	2.4
73.06554	12.6
73.13935	1.4
73.58080	1.3
79.05501	3.3
81.03429	1.6
81.07042	2.9
83.01349	1.4
85.02913	1.4
86.06062	3.8
89.14420	1.2
91.05817	2.9
92.04993	1.8
93.07050	2.8
94.06567	100.0
95.04967	4.5
95.08598	1.6
107.04924	3.6
107.08594	1.9
120.04474	1.6
123.04395	1.8
131.08559	1.5
135.04752	71.1
137.05974	2.2
147.04399	2.5
149.05956	1.3
152.07399	25.5
153.05762	2.1
161.05948	2.6
165.01869	1.6
167.07033	1.7
175.03891	1.7
176.07521	1.7
178.05334	1.6
179.11787	19.3
183.02936	1.7
184.03235	1.8
187.07565	1.2
198.29427	1.3
202.09506	1.3
216.36542	1.3
283.05905	3.2
284.06387	9.0
285.09976	2.1
296.06348	1.5
299.09125	3.1
300.06076	1.8
304.42520	1.4
314.11008	2.1
315.18134	2.1
323.09128	1.8
333.19186	8.1
338.10986	3.5
356.12100	22.1
356.16071	3.1
357.13248	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	356.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63406	2.6
55.05497	2.9
60.10042	3.2
63.11670	3.6
67.01865	12.3
67.05508	5.6
68.65843	3.5
69.03439	7.0
69.11455	2.9
69.84543	18.0
73.04762	3.1
79.05491	8.5
79.70718	2.8
81.03430	5.6
81.06458	2.9
81.07017	5.8
83.04980	3.4
91.05489	12.5
93.07058	6.4
95.04948	8.0
95.08573	4.4
97.02837	3.2
105.07025	11.8
106.00133	2.6
107.04960	100.0
108.05270	5.5
109.06534	4.7
110.07323	3.0
115.05483	5.5
119.04937	8.7
120.05744	23.7
121.02823	3.4
121.06513	7.6
123.04434	12.7
129.07018	7.7
131.04926	17.7
133.06476	36.7
135.04411	8.3
135.08031	5.7
137.05980	37.0
138.06773	26.8
145.06549	5.7
147.04401	8.8
147.08037	3.5
147.11696	3.3
148.05190	2.9
149.05978	5.4
151.03851	3.9
157.06509	6.4
158.07213	5.5
159.08150	5.6
160.05161	3.6
161.06009	6.0
163.03912	6.2
165.05476	89.2
166.06247	25.5
167.03429	4.9
167.07043	31.8
171.07986	4.0
175.07513	8.3
176.08348	12.2
177.05464	4.5
179.06990	4.8
180.07857	9.2
183.08060	3.8
185.05885	5.0
186.06731	7.4
187.07536	10.2
189.05569	3.2
189.09059	3.2
191.06973	5.6
192.07787	12.5
195.07919	4.2
199.07622	5.4
201.05463	9.8
203.07097	10.8
205.08636	3.4
207.10202	4.0
212.67464	3.4
218.09354	7.4
219.10065	3.4
221.08134	10.4
231.10287	5.4
237.09100	3.5
237.11267	8.2
239.07269	4.3
253.08669	6.0
254.09407	17.5
255.10085	4.5
262.05634	3.9
265.08588	5.7
266.09372	9.1
269.08035	5.8
282.08984	3.8
285.11176	17.9
286.12000	24.5
291.10095	10.4
293.52921	3.1
306.12454	5.7
307.13345	10.2
308.10416	15.9
323.12817	55.5
324.13123	4.8
338.15054	22.3
339.15741	3.6
345.53198	3.2
356.12033	5.3
356.16086	11.6
357.13129	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	356.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02362	0.7
52.54737	0.2
55.05492	0.5
65.03933	0.4
67.05493	1.6
68.05837	0.7
69.07046	0.3
70.89651	0.7
73.42004	0.2
75.02364	0.4
79.01830	0.3
79.05476	0.9
80.05831	0.6
81.07047	1.1
82.07373	0.8
83.11580	0.2
87.00025	1.5
89.03910	2.0
90.03468	0.3
91.04228	0.4
91.05476	2.6
92.04984	0.3
93.03420	0.5
93.07033	0.7
94.07349	0.5
95.04943	0.7
95.08603	0.8
96.08929	0.6
99.00037	1.5
103.05444	1.0
104.04973	0.9
105.05762	0.6
105.07160	0.2
106.06553	1.3
106.07256	0.2
107.08581	0.4
109.10144	0.5
110.10486	0.4
111.00031	0.6
111.04415	0.4
115.05437	0.8
116.04976	7.9
116.05791	0.4
117.05763	8.8
117.07005	0.4
118.06566	2.8
119.03678	0.3
119.06059	0.4
120.08068	0.5
120.37734	0.3
122.10439	0.4
125.01600	0.5
126.01073	5.3
127.01814	0.8
128.04958	8.7
129.01045	3.1
129.04520	0.3
129.05740	1.5
130.02881	2.1
130.06526	3.0
131.05161	0.3
131.06018	1.8
131.07275	0.8
132.04453	11.0
132.06799	1.0
133.05260	0.5
134.06029	2.1
135.11708	0.4
136.07480	0.4
136.11974	0.3
138.01060	5.9
138.99510	0.6
139.00574	4.1
139.01814	2.0
140.02609	1.0
141.02151	0.4
141.04474	0.6
142.05252	1.5
142.06500	0.8
143.06024	1.3
143.07285	1.2
144.04445	5.7
144.08081	3.4
145.04097	0.3
145.05194	1.2
146.06004	44.3
147.03128	0.3
147.05406	0.4
147.06415	0.7
147.09193	0.3
149.01541	0.4
149.13249	0.4
150.01060	0.9
151.00632	0.5
151.01805	1.1
153.02138	1.2
155.06055	0.3
156.04431	3.6
157.07579	0.7
158.06003	0.6
159.05544	4.0
160.07550	1.3
161.04706	3.3
162.05507	8.6
164.07057	0.8
167.00095	0.5
169.07574	2.1
170.04686	0.4
171.05515	1.1
172.07475	0.4
173.04790	0.5
174.05510	9.8
175.06267	1.5
178.00578	0.5
179.00053	1.0
179.01402	0.6
180.02145	0.8
181.01622	0.9
185.07156	1.7
187.05042	0.4
188.07080	4.0
189.07620	0.3
190.06458	0.3
191.08199	3.4
193.01660	2.2
198.04289	0.4
204.08078	5.0
205.01662	1.0
205.08778	1.1
206.08382	0.6
213.06644	1.3
216.06487	7.1
216.08138	1.0
217.07355	0.7
218.08392	12.4
219.05165	0.3
219.09142	2.9
230.06822	0.9
232.07285	5.9
233.09590	4.4
234.07913	2.0
234.09894	0.3
240.05785	0.4
241.05376	1.6
243.07918	13.0
244.06223	0.4
244.08524	1.6
245.07104	0.4
245.09335	2.2
246.07906	2.6
247.08611	0.6
251.04941	0.5
252.04523	1.0
253.05273	15.6
254.05983	1.4
255.06981	0.3
258.74533	0.3
260.08246	1.1
261.08978	20.5
262.09467	0.4
262.22461	0.5
263.22778	0.7
264.23065	0.3
266.04608	0.8
267.05609	3.8
268.06323	4.2
269.04749	1.2
278.04742	0.7
279.03256	0.5
280.06372	5.9
281.04736	7.4
288.07590	2.1
289.08426	0.6
296.05838	100.0
296.59705	0.3
297.06323	3.6
301.07367	1.5
311.05948	0.7
324.05328	28.9
325.05609	1.0
328.08566	1.4
356.07956	13.9
357.08224	0.3
359.47858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25291	3.5
55.05506	36.4
57.03418	9.9
57.07058	13.2
62.98489	3.6
67.05505	80.5
69.07065	49.8
71.04967	5.6
71.08614	6.6
71.10197	5.3
71.10518	6.5
79.05492	30.1
81.06585	5.5
81.07052	100.0
83.08616	32.4
85.06536	3.6
91.05416	18.0
93.07031	31.3
95.04928	4.3
95.08599	79.7
97.06515	11.9
97.10152	22.5
99.08089	4.2
105.07040	16.1
107.08578	22.0
109.10151	37.3
111.08051	4.0
111.11738	7.0
119.08545	13.5
121.10131	31.8
123.11689	15.4
133.10069	16.5
135.11681	15.3
137.13272	8.6
147.11678	11.9
149.13223	9.0
161.13257	15.1
163.03845	9.7
163.14815	13.5
165.01962	3.5
165.16415	6.2
175.14844	8.9
179.14224	3.8
189.16353	6.9
215.80156	4.3
245.22636	40.4
263.23712	32.0
286.00458	3.1
337.27225	21.3
353.87021	3.4
355.28333	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	355.2841
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03944	2.7
55.01882	1.7
55.05511	49.1
55.93804	1.6
56.10070	1.5
57.03442	13.2
57.07071	13.6
62.95369	1.7
65.03934	2.2
67.05503	76.6
69.07067	52.3
70.29794	6.2
70.30180	4.1
71.04971	3.9
71.08620	8.1
79.05491	25.7
81.07056	100.0
83.04982	4.3
83.08617	37.4
85.06530	3.8
85.10165	2.3
91.05447	20.4
93.07047	32.9
95.04965	4.0
95.08606	75.9
97.06551	10.9
97.10165	26.8
99.08083	5.9
102.91380	1.8
103.03987	2.3
105.07038	18.4
107.08586	27.3
109.06539	2.5
109.10153	40.4
111.08064	7.4
111.11703	7.8
113.09639	2.7
119.08588	12.3
121.09309	3.4
121.10145	38.2
123.11702	21.7
125.09598	2.8
125.13276	4.0
129.05505	4.7
129.06956	4.4
131.08519	3.1
133.10127	20.1
135.11685	15.6
137.09570	3.1
137.13266	12.9
143.08548	2.6
147.11693	12.3
149.13220	15.9
151.11130	2.8
151.14825	6.5
156.09450	2.3
157.10132	4.7
161.13257	14.5
163.03978	2.6
163.14806	14.0
165.12715	3.5
165.16397	7.9
171.11742	2.8
175.14784	11.9
177.16422	3.0
179.17888	5.3
189.16388	7.7
189.70650	2.0
197.13200	2.1
199.14861	2.3
245.22655	45.8
263.23706	52.6
287.26367	2.4
293.13898	2.2
295.70148	2.1
337.27380	29.4
355.28214	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
55.01860	4.2
55.05269	2.6
55.05511	36.3
57.03432	10.2
57.07082	16.6
58.47199	2.2
60.06988	2.1
64.94856	2.1
67.05507	88.8
69.07069	49.9
69.96802	2.3
70.42644	8.1
71.04990	2.4
71.08621	7.2
73.02930	2.9
73.21063	2.4
79.05499	32.5
81.07059	100.0
81.17580	2.3
83.08625	35.9
85.06548	4.1
91.05438	22.0
93.06477	3.4
93.07046	39.6
95.04987	2.9
95.08607	91.4
96.08941	3.0
97.06564	12.3
97.10168	25.3
99.08075	6.8
105.07049	19.3
107.04961	4.2
107.08588	22.5
109.10156	50.2
111.08075	6.2
111.11731	7.0
119.08575	17.8
121.10155	34.9
123.11721	23.4
125.13247	3.6
133.10121	22.6
135.11702	19.7
137.09636	4.8
137.13289	11.7
147.11707	15.2
149.13280	19.5
151.14821	7.1
161.13277	17.9
163.14845	16.6
165.16435	4.1
167.14294	2.6
175.14844	13.1
179.14243	3.8
179.17989	4.5
181.15860	3.0
189.16364	5.6
203.17940	2.9
210.90565	2.6
234.61710	2.6
245.22658	51.4
263.21085	3.8
263.23697	48.1
337.27441	21.5
355.28275	4.5
356.35291	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03946	3.2
54.99940	2.0
55.01884	2.6
55.05268	2.9
55.05513	44.9
57.03435	14.7
57.07073	14.5
59.73604	2.0
67.05503	78.6
69.07066	52.3
69.37366	4.4
69.37775	18.3
69.75255	1.9
71.04982	3.3
71.08617	6.9
73.02950	2.3
79.05494	29.9
81.07058	100.0
81.49995	1.9
82.07389	2.0
83.04987	2.9
83.08143	2.7
83.08618	33.2
85.06550	3.5
85.10167	2.4
91.05449	21.1
93.07046	30.4
94.17039	2.3
95.04952	3.0
95.08607	91.5
97.06541	11.0
97.10179	23.7
99.08111	3.5
105.07006	14.8
107.08596	22.4
109.10154	48.8
110.10417	1.8
111.08083	6.2
111.11739	6.3
113.09609	2.3
119.08563	15.6
121.10141	26.3
123.11701	26.4
125.13288	4.1
129.05475	2.4
133.10135	20.3
135.11693	17.6
137.13280	9.9
139.11189	2.1
141.12691	2.6
147.11691	15.1
149.13271	14.4
151.11151	3.1
151.14830	5.6
151.20987	2.0
161.13245	17.9
163.14857	14.6
165.12752	2.2
165.16428	6.6
175.14856	14.4
177.16422	3.0
179.14334	2.2
179.17931	2.0
189.16434	6.0
189.50961	2.0
203.18013	2.6
245.20073	2.8
245.22641	48.0
263.23727	51.9
337.27350	31.1
355.28360	8.0
356.35239	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	355.284
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03926	2.7
55.01864	3.5
55.05508	38.5
57.03429	15.3
57.07079	14.4
58.83728	2.6
65.03920	3.8
67.05506	75.5
69.06728	3.4
69.07071	50.1
71.05016	2.7
71.08617	10.3
79.05492	27.4
79.25216	2.0
81.07057	100.0
83.04982	2.9
83.08618	33.7
84.80382	2.0
85.06561	3.6
91.05455	18.8
93.07035	31.7
95.04979	4.2
95.08605	82.4
97.06539	11.5
97.10172	18.4
98.21495	6.4
99.08086	4.4
103.03897	2.9
105.07019	16.8
107.08583	20.7
109.10156	39.0
109.10847	4.2
111.08067	5.2
111.11698	7.6
113.09686	2.4
119.08597	17.0
121.10143	32.7
123.11700	18.1
125.09599	3.5
125.13236	4.0
133.10132	18.2
135.11703	16.2
137.09621	4.9
137.13255	10.4
139.14728	2.2
147.11671	14.7
149.02318	19.5
149.13278	13.3
151.14801	5.8
161.13271	13.0
161.71260	2.2
163.14839	13.1
165.16385	7.5
167.03392	45.3
173.49992	2.0
173.56070	2.2
175.14806	10.6
179.17828	2.9
189.16360	4.8
201.15576	2.5
245.22638	36.7
263.23715	40.9
264.24124	2.7
299.09113	14.7
337.27350	28.4
338.27545	2.7
348.42267	2.7
355.15173	5.1
355.28516	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01871	11.7
55.05511	59.5
56.00318	3.1
56.05033	41.9
57.03431	4.1
57.05362	12.6
57.07062	7.5
64.37421	2.5
65.15604	2.6
67.05501	42.1
69.03433	13.0
69.07068	33.5
69.58356	22.7
71.04980	6.9
79.05482	30.8
81.03395	5.9
81.07053	79.8
83.04998	23.7
83.08610	6.6
84.08138	22.8
85.02910	3.3
85.06540	33.9
85.08474	11.0
86.09676	4.4
91.05476	24.0
91.05872	7.9
93.07042	47.2
95.04424	2.6
95.04974	13.6
95.08607	70.5
97.06519	20.6
97.10167	95.5
99.04445	3.3
99.08082	6.8
101.06017	10.2
103.05486	4.9
105.07032	34.3
106.04114	3.8
107.04954	16.1
107.08588	49.7
109.06507	17.4
109.10155	58.8
111.04427	3.3
111.08078	58.7
111.11733	4.6
113.06031	5.8
113.09663	4.9
115.05453	12.7
117.07037	11.0
119.04972	6.1
119.08578	24.0
121.06535	8.0
121.10128	24.0
123.04406	8.4
123.08067	11.8
123.11704	21.1
125.09609	28.1
127.08672	66.9
128.06221	7.7
128.09032	32.3
129.05479	2.8
129.07021	6.7
129.09315	5.2
131.04936	3.1
131.08527	6.3
132.05667	7.5
133.06503	14.3
133.10129	22.2
135.08035	7.6
135.11716	20.8
137.05956	17.8
137.09608	16.3
137.13264	6.7
139.07545	5.3
139.11185	18.6
141.06996	19.2
141.09100	9.9
143.10672	24.0
145.06477	7.2
145.10147	10.7
147.04475	3.1
147.08035	25.7
147.11681	12.6
149.05975	7.6
149.09631	7.5
149.13252	12.9
151.03899	5.5
151.07512	7.1
151.11197	24.4
153.09099	4.0
153.12737	10.2
155.11838	4.7
157.06499	4.6
157.12270	3.4
158.07278	6.0
159.11665	7.5
160.05257	5.3
161.06003	19.7
161.13257	4.4
163.03902	9.8
163.11139	8.7
163.14783	3.5
165.09198	6.0
165.12749	13.1
167.07053	65.2
167.14302	31.7
169.06487	27.8
169.13377	22.4
170.07149	3.2
170.13721	25.8
173.06032	5.8
175.03867	3.6
175.07535	100.0
175.11131	4.9
175.14851	4.0
176.07904	8.0
181.12221	7.4
185.13234	3.2
186.06784	10.0
187.07568	4.0
187.14592	3.3
187.46103	2.9
189.09116	5.4
191.07031	9.0
193.04942	4.8
193.08611	34.4
193.12347	6.3
193.15921	2.8
195.13748	3.6
201.05443	21.2
201.09108	18.9
203.06979	3.2
203.14374	3.3
213.09142	3.7
219.10138	8.6
221.15359	9.6
233.06073	2.8
234.06651	6.0
235.07491	6.6
237.18413	3.5
239.16409	4.4
245.11775	8.6
246.12338	9.7
247.12691	35.6
248.13045	3.2
249.13249	4.8
255.06572	3.3
255.21321	3.2
262.06281	4.3
265.08633	3.8
268.97852	4.3
270.91608	2.9
277.08563	6.3
285.00943	5.9
288.06592	2.8
289.17361	54.0
290.17801	3.6
291.17783	10.2
291.22971	5.5
295.09702	6.5
301.21735	7.4
319.22626	24.4
323.09131	6.2
323.12744	6.4
325.10214	3.2
337.10742	8.0
337.23709	18.7
355.07593	4.0
355.11612	9.7
355.15497	28.6
356.12213	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	355.1539
Annotation	3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
51.94112	0.5
53.03943	1.5
55.01863	2.3
55.05502	2.4
56.96562	1.6
57.03434	0.7
57.07061	0.8
65.03944	1.2
67.01861	2.5
67.05503	5.4
69.07054	2.8
69.58535	0.7
70.06586	2.4
70.94240	1.3
70.94582	1.1
73.06557	4.6
79.05485	3.1
81.07047	5.8
82.07352	0.8
83.04980	0.8
83.08610	1.2
85.06544	1.2
88.07628	3.1
89.07983	0.8
91.05435	2.6
91.05818	2.4
93.07065	3.1
95.04959	3.6
95.08591	3.7
96.36062	0.6
97.10184	0.9
105.07049	2.9
107.04951	100.0
107.08591	2.8
108.05281	1.6
109.06519	1.6
109.10143	1.8
119.04967	2.3
119.08575	2.6
121.06512	1.7
121.10137	1.2
123.04418	0.9
123.11730	0.8
128.06209	1.1
129.07011	4.4
131.04955	0.9
131.08514	1.3
133.06491	2.7
133.10150	1.0
135.04413	3.5
135.07993	0.9
137.05956	1.8
139.03891	4.0
146.00960	0.6
146.99544	0.9
147.04416	1.1
147.08022	3.7
147.11696	0.9
149.05974	2.2
149.86023	0.7
151.03903	13.4
151.19972	0.7
153.86346	0.7
157.06511	3.6
159.08073	0.9
161.05917	0.9
161.09666	1.2
163.03896	1.1
165.05486	6.8
169.04974	7.3
173.13275	0.9
175.07544	15.7
177.05415	1.2
185.06009	2.9
189.09106	2.1
193.04942	5.1
193.08630	2.3
203.07039	7.0
205.05048	1.2
207.10165	25.5
207.11755	0.9
208.10535	0.7
217.08575	2.8
235.09647	64.1
236.09921	1.5
245.22679	0.9
253.12328	0.6
263.23557	1.0
268.97760	0.9
285.00983	1.3
295.99503	0.8
299.09183	1.9
322.08951	0.9
322.59406	1.2
323.12814	1.5
331.09317	1.1
354.33585	4.9
355.07010	1.3
355.15051	4.5
355.19165	1.2
355.26474	3.1
355.33936	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	355.1537
Annotation	5-Hydroxy-7-methoxy-4'-prenyloxyflavanone
Peak:m/z	Relative Intensity
53.00348	0.3
53.03962	0.4
55.05510	3.4
57.03438	1.3
57.06839	0.3
57.07093	1.3
65.03938	3.5
65.04222	0.3
67.05503	7.3
69.07069	4.4
69.07413	0.4
69.76436	0.2
69.92824	0.3
70.06601	0.4
71.04992	0.4
71.08643	0.5
73.04805	0.5
75.04488	0.3
78.04249	0.3
79.05496	3.0
81.07056	8.7
83.04968	0.4
83.08620	2.6
88.07628	0.3
91.05474	1.3
91.05876	1.0
93.03404	2.4
93.07038	2.9
95.05009	0.4
95.08609	6.5
97.06551	0.8
97.10165	2.0
97.22242	0.3
105.07022	1.9
107.04983	0.7
107.08572	2.0
109.10162	3.9
111.04436	0.3
111.08073	0.3
111.11776	0.5
118.36990	0.3
119.08604	1.3
121.02824	2.3
121.10161	2.3
123.04450	0.5
123.08066	0.4
123.11710	2.1
129.05463	0.4
131.01288	4.5
133.06512	0.4
133.10158	1.5
135.11679	1.4
137.13251	1.0
147.11737	0.9
149.02336	20.4
149.13257	1.6
150.02769	0.4
151.07568	1.3
151.11200	0.3
151.14847	0.4
161.13278	0.8
163.03914	0.8
163.14763	0.8
165.16351	0.6
167.03400	100.0
168.03723	2.1
173.13351	0.3
175.14769	0.6
189.16331	0.4
205.08604	4.0
245.22668	3.4
249.05421	0.3
263.23688	3.0
281.08102	1.4
285.01016	0.6
299.09146	27.7
300.09406	1.4
337.27515	2.0
351.18436	0.3
354.33496	0.7
355.15097	10.3
355.18634	2.0
355.28104	0.4
355.33777	2.3
356.15509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Bolucarpan C
Peak:m/z	Relative Intensity
55.01855	3.2
55.05492	3.3
62.42778	1.7
67.01849	4.5
67.05489	6.6
68.99773	4.2
69.03426	2.0
69.07066	18.7
69.92918	3.2
69.93333	7.0
79.05486	2.3
81.07040	5.5
82.40598	1.6
83.45151	1.6
91.05384	1.9
91.05847	3.3
93.07043	4.1
95.04965	6.7
95.08598	2.0
99.00169	1.6
100.81402	1.6
103.07604	2.0
105.07020	4.0
107.04944	10.7
107.08580	2.6
108.42750	1.7
109.10117	1.8
115.05465	2.4
119.04908	4.7
119.08590	2.3
121.06524	8.2
123.04427	100.0
124.04755	2.6
129.06989	3.1
131.04871	1.8
131.08569	2.2
133.06496	1.9
134.03658	6.7
135.04395	7.9
135.76094	1.7
137.05962	2.3
138.07001	1.7
139.03848	3.1
141.06993	3.6
143.08585	1.7
145.06479	4.3
147.04381	19.2
147.08041	4.4
149.05978	22.4
152.06146	2.2
153.06915	2.3
155.08557	3.9
157.06441	3.7
157.10167	1.8
160.05154	2.6
161.05962	8.4
165.05482	15.1
165.06963	8.0
167.08598	2.8
169.06514	3.1
171.04446	2.3
173.05994	5.5
175.07518	9.2
177.05573	2.0
179.08543	2.1
181.06425	4.0
183.07999	4.0
185.05977	4.3
187.07506	4.2
189.05473	2.4
189.09117	5.5
194.07307	2.7
195.08043	5.1
197.05930	5.3
198.06712	2.9
199.07587	4.8
201.05437	7.6
201.09084	3.2
205.06493	1.7
210.06749	5.6
211.07533	15.1
213.05490	4.3
213.09100	6.6
215.07152	2.8
219.10106	2.2
221.11761	4.5
222.06808	1.9
223.07559	4.9
224.98691	1.6
225.05383	2.8
225.09099	4.8
226.06190	2.2
227.06990	4.5
228.07747	4.5
235.07416	2.5
237.05424	3.7
238.06195	2.6
239.06999	12.7
239.10612	2.3
240.07832	2.2
241.04875	3.9
241.08569	4.6
243.06439	3.7
249.05406	4.7
251.07050	2.7
253.04962	3.5
253.08574	5.0
255.06541	4.8
256.03616	4.3
256.07333	10.1
259.63544	1.9
262.09949	2.1
266.05820	3.7
267.06519	55.0
267.09384	3.7
269.04718	2.1
269.08014	9.1
271.05994	7.2
271.09583	3.8
277.12137	2.1
279.06418	2.2
280.07190	2.1
281.08023	6.7
281.11572	3.3
283.09329	2.2
284.06839	13.9
286.08304	3.6
287.09055	3.1
290.09381	3.1
294.08588	2.7
295.09628	14.6
295.12979	3.5
299.09134	68.1
300.09467	2.0
305.11728	10.8
308.10538	2.9
323.12753	70.3
324.13229	4.1
327.12119	10.9
340.12955	6.1
355.06888	2.0
355.15323	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	Bolucarpan C
Peak:m/z	Relative Intensity
55.01856	0.8
56.52736	0.9
65.03926	0.9
67.01849	1.2
67.05498	1.6
68.99784	3.3
69.03423	1.2
69.07072	3.8
69.95253	3.2
79.05494	6.2
81.07033	1.1
86.42933	0.8
91.05440	5.8
95.04955	1.4
95.08604	0.9
96.10602	0.8
98.21369	1.0
99.41393	0.7
103.05478	1.0
105.07045	4.1
107.04959	4.4
107.08588	4.0
109.06498	1.6
111.00784	3.7
111.04430	1.5
113.02373	2.0
115.05450	1.9
117.06998	1.0
121.06483	1.4
123.04425	2.9
127.03905	0.9
128.06184	0.9
128.45547	0.8
129.06973	2.5
131.04910	1.4
131.08580	1.3
133.06488	3.3
135.04384	0.8
135.08054	46.3
136.08325	0.9
137.05971	2.3
139.03900	12.8
141.07033	1.1
145.06458	2.9
146.07265	1.4
147.04367	0.8
147.08000	1.6
149.05977	1.2
151.03941	1.4
151.07553	1.8
153.05550	1.3
155.04900	1.1
157.06516	4.1
158.07181	0.8
159.04393	0.8
159.08052	5.6
161.05983	2.3
161.09557	0.9
163.07542	100.0
164.07855	2.2
165.01881	0.8
165.07004	0.9
167.07027	0.9
169.06494	1.1
171.08044	1.2
173.05960	1.0
173.09526	0.9
174.06731	5.0
175.07527	6.9
177.05464	1.1
177.09088	1.3
179.08577	0.9
182.07324	1.1
185.06036	1.8
186.06767	0.9
187.07547	14.9
188.08273	3.4
189.09161	4.4
191.07033	2.5
193.08533	2.3
197.09595	1.1
199.07530	1.8
201.09099	4.9
202.06261	1.0
203.06993	2.3
203.10677	2.7
205.08627	2.2
205.12253	2.5
211.07547	1.9
213.09154	1.4
214.09897	1.6
215.07037	20.9
216.07716	0.8
217.12163	5.3
229.08614	3.1
229.12221	15.6
230.12776	1.6
239.07022	2.1
242.05833	0.9
253.08673	1.6
255.06517	1.8
256.07346	0.9
257.08072	5.1
266.90179	0.8
267.06470	1.6
268.07352	1.0
269.08124	0.9
271.09677	2.8
281.08090	3.6
281.10870	1.0
285.07532	0.8
286.08255	1.2
287.09195	2.2
299.05573	3.4
299.09091	32.8
300.09521	1.8
313.10693	7.3
323.12683	1.1
337.14206	2.5
355.15369	87.6
356.15936	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	355.1538
Annotation	Bolucarpan C
Peak:m/z	Relative Intensity
53.03940	2.2
55.01864	2.4
59.45272	1.5
63.09101	1.5
65.03951	2.0
67.01853	4.8
67.05488	6.3
68.99783	7.9
69.03392	1.9
69.07075	12.9
69.94733	6.0
79.05488	2.5
81.03422	2.3
81.07053	3.2
83.01313	2.6
83.04964	2.8
83.08592	1.7
84.76064	1.4
91.05480	6.8
93.07047	4.0
95.04967	8.0
96.35100	1.2
103.05470	2.0
105.07024	5.1
107.04955	17.5
107.08640	1.6
115.05422	2.8
117.06982	1.9
119.04928	5.1
119.08561	2.5
121.02827	2.1
121.06519	4.8
123.04428	100.0
124.04759	2.2
128.06264	2.0
129.06982	5.3
131.04927	2.3
131.08534	1.8
134.03639	5.4
135.04408	6.4
137.05963	3.4
139.03905	5.2
141.06999	4.0
143.08545	2.9
145.06483	5.6
145.10077	2.1
147.04417	21.5
147.08058	2.5
149.05994	23.5
152.06235	1.6
153.06944	3.3
155.08559	4.5
157.06456	3.5
159.08107	1.5
160.05173	2.5
161.06020	7.7
163.03891	3.0
165.05476	17.4
165.07001	8.4
167.08583	1.8
169.06450	3.7
171.08046	3.1
173.05994	7.1
175.03905	1.9
175.07497	11.8
177.05519	2.5
181.06493	3.7
182.07359	3.1
183.07968	4.0
185.05986	5.3
185.09639	1.5
186.06783	1.6
187.07520	2.7
189.05457	3.0
189.09018	7.9
193.06464	2.6
195.08078	4.8
197.04405	4.8
197.06044	4.0
197.09666	1.9
198.06766	2.8
199.07620	3.9
200.04752	2.1
201.05449	6.0
201.09012	2.2
210.06755	4.5
211.07547	16.2
212.08221	1.6
213.05487	6.0
213.09085	7.7
215.07028	4.1
219.08182	2.2
219.10217	4.7
221.06004	4.9
221.11748	6.0
222.06769	1.6
223.07565	4.4
225.05431	3.7
225.09116	6.0
227.07068	4.0
228.07698	3.5
229.08540	2.5
235.07651	2.1
237.05550	2.6
238.06192	3.2
239.07040	20.0
241.05005	2.4
241.08575	5.8
243.06508	3.9
243.10251	1.8
249.05466	3.1
251.07048	3.4
253.04965	4.9
253.08638	8.7
254.05650	2.4
255.06511	4.3
256.03766	4.6
256.07275	13.5
257.07990	2.0
265.08640	2.3
266.05820	2.7
267.06516	52.4
268.06998	3.4
269.04541	3.5
269.08057	8.7
271.06006	11.4
271.09644	6.0
271.13489	1.8
277.08749	1.9
277.12210	4.3
279.06653	2.2
279.10089	1.5
281.08127	6.9
281.11642	3.4
283.05902	4.0
283.09598	4.4
284.06909	13.4
286.08292	1.9
287.09113	2.4
290.09399	3.4
295.06409	2.3
295.09674	16.2
295.13004	2.3
299.09131	71.8
300.09506	3.6
305.11673	9.7
308.10309	3.5
313.07245	4.0
323.12778	73.9
324.13092	2.5
327.12292	7.8
337.14389	1.9
340.13138	6.0
355.11746	4.3
355.15399	54.4
355.26147	1.7
356.15820	2.2
375.60333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.4
55.05508	10.6
61.16578	2.0
62.06318	2.3
67.05506	16.1
68.99770	4.3
69.03420	5.3
69.07053	8.5
69.60107	6.8
69.60529	9.5
70.06589	2.5
71.04977	3.5
73.04726	4.2
79.05493	16.9
81.03421	3.5
81.07053	30.7
83.04977	2.9
83.08586	4.7
83.58730	2.6
85.02909	3.8
85.06548	20.3
88.18906	2.0
88.58575	2.0
91.05414	8.6
91.05803	11.4
93.07031	18.6
94.04196	4.4
95.04954	15.1
95.08604	26.2
97.02844	3.1
97.06535	2.9
97.10078	1.9
98.20778	4.1
99.08072	5.0
100.11233	5.2
101.06030	4.9
103.05450	9.1
105.07045	15.4
107.04939	9.6
107.08601	14.9
109.02904	2.8
109.06541	5.0
109.10154	15.0
111.04395	5.2
111.08082	36.5
115.05448	6.5
117.07005	6.3
119.04913	5.0
119.08536	4.8
121.06503	4.5
121.10124	8.4
122.03655	4.5
123.04426	24.9
123.08051	4.4
123.11726	12.8
125.05980	4.7
125.09615	3.2
128.06232	3.3
129.05424	2.7
129.07027	3.5
129.09073	2.4
131.04932	14.0
131.08566	10.3
133.06485	6.1
133.10114	8.6
135.11690	5.2
137.05013	3.6
137.05984	51.4
137.09563	4.6
137.13193	2.2
141.06941	3.4
143.04807	2.6
143.08522	3.1
145.06477	6.0
145.10092	7.4
147.04370	5.9
147.08041	11.7
147.11723	4.4
149.05959	5.4
151.07500	2.8
151.11191	5.1
153.05464	3.3
153.06934	2.4
155.07040	3.5
155.08505	6.9
157.10057	2.4
158.07224	2.5
159.04446	4.0
159.11623	3.5
160.05211	12.4
161.05986	14.8
161.13330	3.1
163.03868	8.4
163.07510	7.6
165.05560	4.0
165.06967	6.7
165.09114	4.7
165.12790	2.9
167.07045	50.1
169.06474	8.8
173.06009	25.6
173.09639	4.8
175.05611	2.1
175.06105	2.3
175.07544	21.2
181.06494	3.1
181.08588	7.3
182.07191	3.0
182.15480	3.2
183.08113	5.6
183.15773	2.8
185.05956	2.6
186.06776	11.9
187.07568	6.1
187.13304	2.4
191.07018	4.6
192.06111	2.8
193.01981	2.3
193.05020	6.2
193.08592	6.3
195.08281	2.8
195.10136	14.0
197.06000	3.5
201.05516	13.5
201.09106	88.6
205.06667	3.1
205.08601	8.4
207.08116	2.8
210.06731	2.3
210.14874	3.5
211.07544	10.1
211.15190	4.1
213.09003	3.2
219.10197	2.4
220.05164	3.2
221.05952	20.1
222.06656	3.5
223.07652	2.8
227.06985	4.2
234.06752	5.4
235.07498	10.2
237.05472	10.8
237.09192	3.8
238.06215	16.5
239.06885	3.3
245.11777	5.7
248.08331	2.8
249.05470	20.6
250.06319	10.6
251.06992	5.0
252.07845	4.7
253.08604	18.4
255.06525	4.2
263.06812	6.2
263.10645	7.3
264.07834	2.8
265.04944	11.9
265.08505	7.5
266.05835	10.4
267.06546	2.3
268.97781	3.7
277.08557	3.2
279.06519	4.5
280.07260	8.4
280.10391	2.8
281.08090	58.1
282.05203	2.6
282.08450	3.5
283.05948	10.3
285.01117	4.3
291.10068	6.1
291.23129	6.3
293.08176	5.3
295.09708	4.8
295.13232	5.7
297.07504	2.9
298.08334	22.0
299.09006	4.0
300.09848	4.2
305.08124	3.8
308.10406	5.1
309.11218	4.1
309.24332	4.3
312.09869	5.5
313.10706	100.0
314.10913	3.7
319.22900	3.5
323.09094	4.5
323.12665	22.7
324.13358	4.2
325.10727	3.5
337.10556	4.0
337.23618	7.4
355.07706	4.1
355.12015	4.8
355.15378	96.3
356.15610	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	Ficuisoflavone
Peak:m/z	Relative Intensity
55.01868	1.7
55.05494	2.6
56.96560	1.2
57.07071	0.8
59.04982	1.0
67.05501	4.3
69.03422	6.3
69.07050	2.6
70.95943	2.3
71.04987	1.1
71.38090	0.7
79.05475	3.1
81.03397	2.5
81.07055	4.2
83.04992	1.0
83.08601	1.2
85.06540	1.5
91.05868	6.3
93.07049	1.9
94.06590	1.4
95.04957	1.6
95.08607	2.8
95.96084	0.8
97.06536	1.7
97.10178	1.5
105.07024	3.0
107.04944	9.8
107.08603	1.6
109.10099	1.3
111.08099	1.1
117.06973	1.4
119.04908	1.8
119.08566	1.6
121.02863	5.4
121.06528	1.2
123.04422	1.2
123.11736	1.2
129.06985	2.6
131.08530	0.9
133.06505	2.0
133.10100	0.9
135.04471	3.2
135.11691	1.4
136.00668	0.9
137.02307	1.4
137.06024	1.8
139.03911	1.6
141.01799	2.3
145.02849	2.2
145.06468	1.3
147.04388	1.4
147.08009	1.5
149.06003	1.4
149.09590	1.0
149.13243	1.2
151.03929	0.9
155.08617	0.8
157.06529	0.8
160.05188	0.9
161.05954	1.6
163.03909	2.8
165.01826	12.5
165.05440	3.9
167.03442	1.4
173.09604	1.1
175.07562	4.0
177.05539	1.0
179.03378	1.5
183.02884	10.4
183.08083	1.2
187.07501	1.0
191.07011	1.6
193.04881	1.0
199.07495	1.3
201.05327	0.8
201.09125	2.4
203.07066	1.6
207.10149	2.1
217.08754	1.1
219.10280	1.1
229.08687	1.3
235.09631	20.0
236.26358	1.0
255.06575	3.4
261.11249	17.1
267.06552	2.3
268.97867	1.4
271.06052	1.8
283.06009	51.7
284.06412	1.1
285.00928	2.1
295.05972	9.7
295.13177	1.9
295.24493	1.1
297.07596	2.4
307.06012	3.0
308.06860	1.4
309.11246	1.7
319.09628	2.7
321.07394	1.5
322.08347	2.8
323.09280	1.1
323.12830	2.5
337.10687	13.2
355.11722	100.0
356.11981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1176
Annotation	Flavescenone C
Peak:m/z	Relative Intensity
51.10613	0.5
52.70148	0.5
53.37885	0.5
54.70179	0.6
55.01867	1.3
55.05492	2.6
59.33813	0.5
64.50206	0.5
65.03935	3.4
67.05515	2.8
67.05791	0.5
68.99793	1.3
69.03416	0.9
69.07070	3.8
71.11376	0.6
71.59093	0.9
73.04742	0.7
79.05491	2.8
81.03404	1.9
81.07049	3.4
83.04986	0.8
83.08647	0.9
83.28910	0.6
85.06549	0.8
91.05447	2.5
91.05835	2.2
93.03397	1.4
93.07047	1.4
95.01316	0.8
95.04982	0.9
95.08593	2.4
97.10207	0.7
103.05457	1.1
105.03383	2.5
105.07030	3.3
107.04968	3.8
107.08591	1.3
109.06514	0.8
109.10148	1.8
110.03631	0.9
111.04481	0.7
111.08115	0.5
115.05471	1.7
116.06253	0.9
117.07001	1.6
119.04944	1.8
119.08588	1.8
121.02869	2.6
121.06503	0.8
121.10149	1.5
122.03719	1.0
123.04456	2.1
123.08164	0.8
123.11726	0.6
125.06014	4.6
125.09613	0.7
127.03904	2.4
128.06174	0.7
129.07005	2.1
131.01268	3.7
131.04951	1.3
131.08578	1.5
133.02852	0.9
133.06485	1.7
133.10167	0.8
135.04433	1.5
135.07945	1.0
135.11668	0.9
137.02347	10.2
137.05989	5.3
137.09627	1.0
144.05682	0.6
145.06477	1.4
145.10146	1.2
147.04387	2.1
147.08063	2.2
147.11710	0.7
149.02342	26.5
149.05988	1.4
151.03928	1.2
153.07005	1.3
155.08540	2.0
159.08057	0.8
160.05212	3.2
161.02347	18.0
161.05984	10.7
163.03931	2.3
163.07640	0.7
165.05551	0.7
165.07037	1.5
165.09105	1.2
167.03407	100.0
167.07004	3.5
168.03720	1.0
173.05994	6.6
175.03934	1.7
175.07555	5.2
177.05447	1.8
178.07742	0.9
179.08604	0.9
180.07779	0.8
183.08061	0.8
185.05998	2.5
186.03317	0.6
186.06776	2.3
189.05505	1.1
195.10173	3.9
197.05931	0.8
199.03981	0.9
199.07553	1.0
201.05444	4.7
201.09117	22.6
201.16452	0.6
203.07047	24.4
205.06458	0.7
207.08075	1.0
211.07582	0.9
213.05467	0.6
221.06020	1.2
221.08075	31.4
223.07603	0.6
234.06744	1.2
235.07600	0.9
237.05472	0.7
238.06319	1.0
239.06981	0.9
239.09102	0.8
241.08708	1.0
243.06451	0.8
249.05463	1.2
249.09065	1.6
251.07021	1.2
253.08435	0.9
255.06496	1.2
263.06915	1.3
263.10770	1.0
265.04919	0.9
265.08630	0.9
266.09424	0.9
267.10107	2.5
268.97916	1.6
271.06030	2.7
277.08469	1.4
279.06580	2.0
281.08005	2.3
281.11432	1.0
283.06012	19.7
285.07419	0.8
285.10809	0.6
287.05478	3.6
291.10110	0.9
293.08032	1.6
294.08926	2.8
295.06021	7.8
295.09677	5.3
297.07486	1.6
298.08295	1.0
299.05600	1.0
299.09067	0.8
299.12579	0.9
305.08038	1.7
309.11197	2.4
313.10712	3.9
322.08325	2.0
323.09021	1.5
323.12817	1.5
327.12387	1.1
337.10712	31.9
338.10779	0.9
355.07654	0.7
355.11707	15.3
355.15515	3.4
359.99213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
54.20536	0.5
55.01861	0.9
55.05509	0.6
65.03934	0.6
66.40411	0.5
67.05488	1.9
68.99804	0.6
69.07065	0.7
69.48033	3.8
73.04727	0.5
79.01863	1.2
79.05460	1.2
81.03400	0.7
81.07045	1.0
91.05779	2.4
93.97198	0.6
95.08575	1.2
99.77604	0.4
105.07016	1.8
107.04949	1.2
107.08593	0.8
109.06567	0.5
109.10189	0.5
111.04442	0.5
117.06944	0.5
119.04985	2.6
119.08609	0.7
121.02866	4.6
121.06438	0.6
122.70210	0.5
123.04431	0.6
123.08104	0.6
131.05011	0.6
131.08563	0.5
133.06482	0.6
135.04443	0.9
137.02252	1.2
137.05986	1.5
141.01793	0.9
145.02817	3.4
145.06496	1.7
147.04410	0.7
149.02333	1.2
157.06454	0.7
161.05942	0.7
163.03909	1.9
165.01820	6.2
167.03387	2.5
173.06094	0.7
177.01761	0.7
177.05508	0.5
183.02895	4.3
189.01846	0.7
190.02557	1.2
191.03333	0.5
191.07056	0.8
201.05470	2.4
204.04253	0.6
219.06485	2.4
229.05005	0.6
235.07550	0.6
263.07089	0.9
267.06470	4.2
268.97879	0.9
271.05988	2.4
279.06616	2.5
281.07980	0.6
283.06006	30.6
284.06534	1.0
285.01212	0.7
291.10034	0.7
293.08041	1.1
295.06009	9.0
295.09616	2.1
297.07767	0.5
299.05481	9.2
299.08606	0.9
307.06024	7.0
308.06787	4.3
309.07486	2.2
309.11221	1.8
319.09653	5.6
321.07590	6.6
322.08316	8.1
323.09149	0.7
323.12668	0.6
337.10684	100.0
338.10956	3.6
355.07263	0.5
355.11664	10.5
357.27808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	Phellodensin A
Peak:m/z	Relative Intensity
55.01866	3.9
55.05496	3.1
56.39630	1.8
64.52276	1.8
65.03938	3.0
67.05511	9.0
69.03436	2.1
69.07059	4.6
73.04737	2.4
74.78465	1.9
79.05486	6.6
81.03410	2.5
81.07044	6.8
82.03709	1.8
88.67876	2.1
91.05876	13.6
93.07050	5.2
95.01380	2.2
95.04935	3.6
95.08588	4.7
105.03381	5.0
105.07027	5.9
107.04948	14.9
107.08603	2.6
109.06516	3.4
109.10171	3.0
115.05454	2.1
117.06959	2.1
119.04947	3.3
119.08604	4.6
121.02884	6.0
121.10171	2.9
123.04376	2.7
129.07033	6.3
131.04962	1.9
133.06462	4.2
134.21767	2.1
135.04411	3.2
135.11676	2.2
137.02351	2.3
137.05908	3.1
143.20261	2.0
145.02864	1.9
147.04387	4.6
147.08023	6.3
149.02344	7.9
151.03922	3.8
157.06468	2.1
160.05211	2.7
161.02353	19.3
161.05966	7.7
163.03914	11.0
165.01816	3.2
165.06979	3.0
167.03404	29.7
167.07068	2.9
173.06018	3.3
175.03940	3.9
175.07541	10.6
183.03015	2.4
185.05968	6.1
189.05478	2.8
191.03331	2.2
201.05490	3.6
201.09105	4.2
203.07034	100.0
219.06537	18.1
252.08205	2.3
253.08635	2.1
255.06418	4.0
268.97867	3.5
281.07919	4.8
283.06000	21.9
285.00946	5.5
295.05920	3.9
295.09250	2.3
299.05649	3.8
307.06317	2.8
313.10501	3.6
317.21890	2.0
319.09552	3.6
322.08353	4.9
323.09100	8.3
337.10669	55.5
355.07474	4.2
355.11697	54.9
355.15417	3.1
372.11526	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
62.66069	1.4
67.07706	1.1
68.78455	1.2
69.75965	7.6
71.96683	1.3
79.05509	1.4
89.03925	7.3
98.21516	1.5
107.05009	1.7
117.03394	11.0
127.53736	1.4
135.04430	19.8
145.02855	12.2
155.61351	1.1
163.03909	100.0
164.04158	2.6
181.58397	1.2
248.51729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1173
Annotation	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
54.13317	1.4
55.01860	2.2
55.05503	2.4
58.20872	1.4
65.03925	2.4
67.05492	3.5
68.99795	1.8
69.07041	1.7
69.67135	2.1
69.67545	9.2
79.05472	3.0
81.03408	1.8
81.07034	1.9
90.61538	1.4
91.05840	3.5
93.07061	4.0
95.01321	1.6
95.04959	2.1
105.03391	5.3
105.07047	3.9
107.04955	5.0
109.06516	2.1
115.05463	2.0
117.07009	2.2
119.04944	3.2
119.08579	4.1
121.02865	2.3
123.04441	10.1
128.06189	1.7
129.07024	4.2
131.01241	2.2
131.08595	1.8
133.02847	1.9
133.06465	1.9
139.03932	1.9
145.06496	1.6
147.04405	3.5
147.08035	10.5
149.02332	18.8
149.05997	2.1
151.03914	5.1
159.08101	2.5
160.05206	1.7
161.02345	25.9
161.05957	11.9
163.03896	5.3
165.05545	2.2
165.07132	2.1
167.03406	49.2
173.05940	3.0
175.03888	3.4
175.07587	7.9
185.05948	9.8
187.03941	1.6
187.07556	9.8
188.08315	4.8
189.09088	3.5
197.05969	1.9
199.07591	4.9
201.09192	3.2
203.07021	100.0
204.07236	2.3
211.07494	4.2
213.05470	2.0
213.09219	1.5
219.10132	16.5
221.06070	1.7
221.08047	18.8
223.07564	1.6
239.07013	2.5
253.08484	1.4
264.89120	1.7
267.06473	6.4
271.05981	2.5
274.13235	1.8
283.06122	8.9
285.00803	1.6
291.09979	2.0
295.06055	8.4
295.08948	1.7
297.07434	2.0
297.10748	1.8
299.05795	2.2
299.09106	5.3
313.07040	8.0
313.10489	2.6
323.12863	5.4
327.12244	1.7
337.10681	33.3
355.07370	3.3
355.11722	14.9
355.15543	4.3
356.12592	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	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.07941	1.1
53.03946	1.7
55.05513	15.1
56.05030	1.7
57.05803	1.7
57.07076	17.3
58.02952	2.2
58.06599	16.5
60.04516	7.9
63.75056	1.3
67.05508	12.8
68.05038	1.9
69.06718	2.2
69.07064	24.9
70.02943	4.3
70.06595	11.0
71.04967	2.1
71.08625	10.8
71.58384	2.2
72.04498	3.8
72.08127	2.1
74.06065	3.1
79.05479	3.8
81.07052	17.2
82.06569	2.5
83.04942	1.4
83.08626	17.5
84.08135	9.0
85.10181	3.6
86.06061	7.1
87.06837	2.6
88.07602	1.2
91.05767	4.5
93.07030	3.6
95.08607	19.6
97.10158	11.0
98.09675	2.3
107.08611	2.2
109.10139	9.8
111.11721	4.3
112.11189	1.5
121.10162	1.4
122.09682	1.5
123.08071	1.5
123.11697	3.7
137.13245	1.9
153.17441	1.2
201.95462	1.1
203.09312	1.2
268.29944	3.9
268.97922	2.1
285.00885	2.0
294.31488	4.3
306.31638	4.0
307.30048	4.2
308.33038	5.8
318.31635	1.3
324.32489	2.3
326.34055	3.8
336.12982	1.4
336.32526	14.4
337.31024	2.1
344.97855	1.3
354.33658	100.0
355.28247	2.2
355.34000	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	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.5
55.05514	17.5
56.05035	19.1
56.96555	3.9
57.07067	2.8
60.04529	11.3
67.05506	35.0
68.05019	2.6
69.07074	25.4
70.06596	3.2
71.04968	2.8
71.08626	3.5
71.58884	3.6
73.04764	2.8
76.77802	2.3
79.05505	12.9
80.05013	4.1
81.07053	25.9
82.06570	10.4
83.04980	3.6
83.08608	6.5
85.06493	2.8
91.05380	12.0
93.07040	17.9
94.06574	14.8
94.07400	2.3
95.08611	19.5
96.08134	4.0
97.10172	4.5
105.07026	7.1
107.08574	6.5
108.08109	6.8
109.06491	2.8
109.10145	24.7
119.08594	11.0
121.10142	5.1
122.09737	2.4
123.04441	2.7
125.09641	8.8
133.10133	3.9
135.11630	3.3
136.11221	4.3
137.09630	13.3
147.11716	2.9
149.05928	2.3
151.11113	4.2
154.12273	100.0
163.03929	3.6
166.15903	10.5
167.10666	5.6
172.13322	50.9
173.11763	6.8
177.12711	3.6
182.15453	3.6
196.13313	34.5
206.15443	3.6
214.14371	7.0
219.10240	2.5
224.16431	3.4
259.20642	3.9
262.22437	3.1
269.42770	2.4
276.23175	11.6
277.21613	15.3
283.05988	2.3
284.06793	3.4
290.24872	4.8
294.24319	39.0
299.09073	11.5
308.02127	2.4
308.25818	40.5
318.24429	2.5
336.25360	9.2
354.26413	63.4
355.06857	3.5
355.18842	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.96454	0.9
53.03930	2.9
55.01855	1.1
55.05270	1.0
55.05510	14.1
55.43541	1.2
55.94614	1.1
57.03441	5.7
57.07077	8.1
65.03934	3.0
67.05502	90.5
68.05824	1.3
69.07064	11.7
70.21536	3.5
70.21957	2.3
71.04990	1.5
71.08619	6.7
77.03905	1.5
78.95803	1.0
79.05491	55.8
81.07053	100.0
83.04961	1.7
83.08618	7.4
85.06521	3.7
85.10165	2.7
91.05474	23.6
93.07039	61.8
94.07401	1.4
95.04956	4.8
95.08604	71.8
97.06518	4.6
97.10169	2.7
98.21489	1.4
99.08101	6.3
105.07030	22.1
107.08593	42.2
109.06502	2.2
109.09463	2.2
109.10158	27.4
111.08047	1.3
113.09622	2.7
115.62824	1.2
117.07018	10.2
119.08559	13.2
121.10135	30.5
123.11699	10.0
129.05396	1.1
131.08557	22.5
133.10130	11.5
135.08011	1.1
135.11694	21.2
137.13263	6.7
145.10109	17.4
147.11690	9.2
149.09608	1.8
149.13246	19.6
151.14772	2.7
159.11694	12.2
161.13254	9.9
163.11151	2.2
163.14810	16.2
165.12723	1.7
167.14339	1.3
173.13242	15.4
173.73444	1.2
175.14787	2.7
177.12733	2.0
177.16377	6.9
179.14333	2.1
187.14848	9.8
201.16396	2.4
205.15909	1.7
215.17897	1.4
233.22652	8.5
243.21051	30.6
261.22122	57.9
262.22452	1.8
279.23187	3.2
298.08228	1.2
335.25739	8.0
353.13947	1.2
353.26834	4.6
379.07458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	3.6
55.01881	5.4
55.05263	4.0
55.05508	50.8
57.03432	17.3
57.07066	9.0
65.03942	4.0
67.05504	94.0
69.03458	2.2
69.07063	49.9
70.84855	3.3
70.85197	5.4
71.04982	5.0
71.08630	34.5
79.05487	54.2
81.07056	100.0
82.07387	2.5
83.04982	6.3
83.05455	2.3
83.08621	25.0
85.06528	8.2
89.17413	2.4
91.05476	17.8
93.07043	52.1
95.04971	6.9
95.08603	74.7
97.06524	9.8
97.10164	25.9
99.08092	30.4
105.07014	19.1
107.08596	39.4
109.06509	4.6
109.10163	45.7
109.10912	3.1
111.08112	5.6
113.09597	2.7
117.07032	8.7
119.08586	14.0
119.94135	2.2
121.10135	25.5
123.08103	2.7
123.11720	12.6
125.09630	13.5
129.04295	2.3
131.08565	13.5
133.10118	9.2
135.07968	2.8
135.11685	28.0
137.09599	2.8
137.13240	8.7
145.10139	10.3
147.11707	16.2
149.13252	14.7
151.14777	3.7
153.12740	10.4
159.11699	5.2
161.13268	8.1
163.11252	3.4
163.14835	10.7
165.12785	5.3
173.11917	2.7
173.13167	12.2
175.14806	3.1
177.16415	3.6
181.12119	2.6
187.14903	5.2
189.06801	2.4
189.11230	8.9
233.22707	4.8
235.13548	2.4
239.23552	2.7
243.21054	18.8
261.22156	47.5
269.17621	2.6
279.23172	21.3
353.14203	3.4
353.26846	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29441	1.5
53.03929	4.7
55.05305	1.4
55.05515	15.4
57.03430	5.0
57.07059	4.9
60.17676	1.6
67.05505	100.0
69.07070	13.4
69.35712	3.3
69.36119	14.5
71.04976	3.9
73.23835	1.5
79.05492	51.5
81.07056	95.4
83.08615	8.6
85.06546	3.5
91.05473	25.5
93.07042	66.4
95.04961	4.2
95.08605	69.8
97.06511	2.8
97.10127	2.5
99.08060	2.7
105.07020	17.4
107.08591	44.4
109.06477	2.7
109.09459	2.9
109.10152	40.2
111.08031	2.2
113.09654	2.4
117.07009	9.6
119.08566	15.4
121.09324	2.5
121.10141	37.9
123.11691	22.4
130.07788	2.1
131.08571	24.4
133.10124	15.8
135.11691	25.2
137.13283	9.8
141.46719	1.5
145.10129	19.4
147.11670	12.8
149.12193	2.0
149.13272	22.5
151.14835	2.8
159.11702	16.4
161.13249	11.3
162.40854	1.8
163.14781	11.9
165.12828	1.9
173.13257	15.8
175.14861	3.9
177.16367	5.6
187.14835	8.9
201.16447	2.6
232.49709	1.7
233.22615	5.2
243.21106	19.5
261.22128	90.0
262.22318	2.6
279.23187	4.0
335.25690	6.5
353.26755	18.8
363.72876	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.8
57.03430	4.6
57.07042	3.1
67.05506	99.5
69.07069	8.7
70.72498	5.3
71.04971	4.1
75.75507	2.5
79.05495	51.5
79.39567	2.6
81.07059	92.3
83.08605	7.9
91.05482	27.7
93.06474	4.2
93.07045	65.6
95.08612	74.1
97.10142	5.3
99.08150	3.7
101.48397	3.2
105.07042	21.4
106.27197	2.6
107.08591	37.2
109.06501	2.9
109.10147	42.8
111.11731	3.7
117.06998	10.1
119.08587	17.3
121.10149	35.8
123.11721	18.9
125.09512	2.6
131.08562	19.6
133.10120	15.7
135.11690	30.6
137.13283	6.2
139.11211	2.9
145.10129	13.2
147.11679	13.2
149.13264	22.1
159.11703	16.7
161.13260	11.5
163.14896	14.1
173.13290	17.1
177.16418	4.1
187.14832	10.7
187.92015	2.7
212.26953	3.0
243.21053	21.8
261.22159	100.0
262.22409	3.8
279.23154	4.4
335.25812	3.8
353.26730	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.35158	3.0
55.05514	15.8
57.03437	5.7
57.07066	5.0
63.63838	3.2
65.44562	3.0
66.93212	3.5
67.05501	93.8
69.07059	16.3
69.67387	24.6
78.90804	3.6
79.05125	4.0
79.05493	44.4
79.43101	3.2
81.07053	100.0
83.08605	8.9
91.05474	23.4
93.07043	53.9
95.04969	3.4
95.08601	83.1
97.06508	4.1
99.08113	3.4
105.07031	17.4
107.08596	38.0
109.06562	4.2
109.10154	37.7
117.06999	8.9
119.08569	13.4
121.10155	26.8
123.11689	20.4
131.08562	22.4
133.10115	13.5
135.11684	23.1
137.13246	8.8
145.10149	16.3
147.11650	15.7
149.13235	20.9
151.14909	4.3
159.11708	13.8
161.13284	9.1
163.14822	8.6
173.13287	19.9
175.14828	5.1
187.14873	10.2
204.63972	3.1
243.21136	16.0
261.22147	79.2
262.14795	3.6
262.22501	4.4
279.23291	4.9
335.25735	6.6
338.16010	3.2
353.26733	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	3.0
55.05519	14.9
57.03427	7.9
57.07080	4.3
67.05506	100.0
69.07082	13.9
70.84769	3.9
70.85110	4.6
79.05499	38.8
81.07061	95.7
83.08611	3.8
85.43465	2.3
91.05477	20.8
93.07040	49.5
95.04948	6.2
95.08607	65.5
97.06503	4.2
97.10165	3.0
105.07036	18.3
107.08591	31.0
109.10161	36.6
109.57032	2.2
117.06992	9.1
119.08576	14.7
120.71710	2.1
121.10141	34.0
123.11697	16.5
131.08569	17.8
133.10150	12.9
135.11688	23.5
137.09651	2.7
137.13243	7.3
145.10101	11.9
147.11659	8.2
149.13266	18.7
159.11693	13.4
161.13240	5.4
163.14836	8.4
173.13268	19.0
175.14851	2.6
187.14827	7.8
191.14384	2.6
201.16469	3.1
207.41544	2.4
233.22620	2.9
243.21147	21.7
261.22159	83.2
262.22406	2.8
279.23276	8.3
335.25830	5.9
349.30200	2.3
353.26968	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.09348	1.6
52.58578	1.7
53.03941	4.7
53.23056	1.5
55.05510	14.2
56.36754	1.9
57.03437	2.7
57.07059	5.4
62.61209	2.0
65.03925	3.7
67.05503	100.0
69.07075	11.1
70.10374	7.3
71.05002	2.8
71.08640	4.3
79.05491	62.1
81.07054	99.2
82.07367	2.1
83.08617	8.2
85.06531	4.6
91.05477	28.2
93.07041	73.7
95.04948	6.5
95.08602	74.4
97.06518	3.9
97.10155	5.4
99.08086	4.6
105.07024	21.9
107.08584	44.4
109.06499	5.3
109.10141	30.6
111.08077	2.6
113.09635	1.8
117.07021	11.7
119.08574	18.4
121.10139	34.7
123.11694	13.8
131.08565	29.6
133.10133	12.1
135.11673	27.1
137.13266	9.1
145.10109	17.3
147.11700	12.7
149.13243	22.5
151.14841	4.5
159.11710	12.0
161.13202	12.0
163.14825	18.9
165.12682	2.3
173.13240	16.7
175.14838	3.8
177.12675	3.2
177.16441	6.0
187.14850	10.5
201.16324	3.6
233.22652	8.0
239.14252	1.9
243.21060	28.8
257.66650	2.0
261.22137	77.0
262.22607	2.3
279.23279	3.6
289.88159	2.1
307.24802	2.1
335.25851	4.5
346.12912	2.2
353.13855	2.7
353.26517	5.3
374.74222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05511	16.6
57.03430	4.4
57.07092	4.5
65.03963	2.3
67.05505	91.8
69.07074	12.3
71.04992	3.3
79.05062	4.5
79.05495	52.6
79.05945	1.7
79.79152	1.9
80.16922	2.1
81.07059	100.0
83.08612	7.6
85.06521	3.7
91.05486	24.9
93.06471	4.0
93.07040	65.4
94.07409	3.1
95.04958	5.9
95.08606	70.2
97.06513	3.1
97.10144	2.2
98.21537	4.6
99.08080	2.8
105.07030	16.2
107.08600	36.6
109.10165	35.2
117.07019	10.8
119.08584	15.8
121.10149	31.2
123.11723	15.4
131.08559	20.3
133.10144	14.0
135.11707	29.7
137.13223	6.1
145.10132	16.6
147.11682	14.1
149.13272	22.0
151.14841	3.2
159.11693	13.7
161.13261	7.9
163.14807	9.5
166.46718	2.4
173.13283	18.2
175.14748	3.1
177.16415	3.7
187.14827	9.2
201.16385	2.7
205.31784	2.3
229.32448	2.8
233.22575	3.6
243.21114	14.6
261.22153	80.9
262.22366	5.0
307.41803	2.1
335.25665	3.2
353.26846	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.88200	2.4
55.05499	11.5
57.03452	5.2
67.05501	90.9
67.24520	2.5
69.07071	14.0
69.91905	14.3
72.59153	2.7
79.05490	43.1
81.07057	100.0
81.62940	2.7
83.08609	6.1
86.12012	2.5
91.05482	19.8
93.07048	52.5
95.04975	2.5
95.08600	77.9
97.10161	3.4
98.21421	4.0
99.08063	3.0
102.53811	2.9
105.07022	19.2
107.08593	29.0
109.10140	37.4
111.08102	2.5
117.07005	10.3
119.08585	16.2
121.10152	26.8
123.08042	3.0
123.11698	21.6
124.56864	2.5
131.08594	17.9
133.10161	12.8
135.11700	28.5
137.13252	9.8
141.33119	2.7
145.10098	15.2
147.11649	10.9
149.13275	17.2
159.11708	9.7
161.13226	6.7
163.13559	2.5
163.14784	13.1
173.13287	15.5
177.16400	6.0
187.14783	10.6
233.22664	6.7
243.21085	18.6
261.22131	86.5
262.22421	4.2
270.78168	3.1
279.23294	5.5
318.39539	3.0
335.25867	8.6
353.26941	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05510	17.9
57.03433	5.4
57.07068	6.9
58.17757	2.1
65.03943	2.9
67.05504	96.0
69.07067	15.1
69.95145	13.1
71.08636	6.2
79.05489	58.8
80.05836	2.2
81.03419	2.9
81.07055	100.0
82.07397	2.5
83.04962	2.6
83.08615	9.8
85.06532	5.0
91.05484	34.6
93.07040	78.6
94.60659	2.2
95.04966	8.3
95.08604	71.7
97.06558	6.2
97.10155	4.3
97.37858	2.6
99.08085	8.9
105.07041	23.4
107.08588	43.6
109.06512	2.7
109.10149	28.1
113.09668	3.1
117.07016	11.7
119.08592	18.4
121.10143	36.6
122.10471	2.6
123.11711	8.9
131.08565	23.5
133.10126	14.5
135.11708	26.1
137.13269	8.0
145.10110	17.6
147.04500	2.5
147.11650	12.2
149.09654	3.6
149.13260	28.5
151.03943	2.7
151.14825	4.8
153.12700	3.0
159.11713	15.8
161.13254	10.0
163.14828	16.7
165.12764	2.2
173.13295	16.2
175.14870	4.0
177.16409	9.7
179.14345	4.2
187.14853	8.6
201.16357	3.5
233.22647	7.8
243.21040	27.2
245.39198	2.3
261.22137	77.7
279.23035	5.0
291.15604	2.4
335.25818	6.2
353.13742	7.3
353.26550	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	3.0
55.05301	1.2
55.05512	13.6
57.03433	4.4
57.07072	8.6
65.03933	2.9
66.58968	1.4
67.05505	100.0
69.07075	17.3
69.43711	3.0
69.44117	8.3
71.04987	3.0
71.08628	4.1
75.04473	1.7
77.03986	1.3
77.16111	1.2
79.05492	59.6
81.07059	99.4
83.04974	1.3
83.08625	9.2
84.64763	1.3
85.06538	5.3
85.10206	2.6
91.05482	29.0
93.07042	69.0
95.04976	7.0
95.08607	77.1
97.06526	4.7
97.10149	4.0
97.45999	1.1
98.20766	2.8
99.08097	6.7
105.07034	23.0
107.07866	2.6
107.08596	44.7
109.06510	2.7
109.10157	31.8
111.08121	2.4
113.09612	1.4
113.83915	1.1
117.07016	12.8
119.08582	15.0
121.02809	1.3
121.10150	33.3
123.08081	1.6
123.11707	13.4
131.08562	23.4
133.10144	11.9
135.11696	24.8
137.09604	2.0
137.13284	7.3
145.10126	16.4
147.11693	11.1
149.09570	1.7
149.13263	20.2
151.14838	4.2
153.12779	1.4
157.10092	1.5
159.11711	16.8
161.13283	10.1
163.03909	1.3
163.14806	16.6
165.12744	2.5
165.16330	1.6
173.13242	15.8
175.14824	4.6
177.12750	2.3
177.16389	6.9
179.14343	1.8
187.14839	11.7
191.14427	1.4
201.16389	3.5
203.07065	13.2
226.32115	1.5
233.22656	7.6
243.21095	28.0
261.22134	73.3
279.23236	3.2
315.21021	1.2
335.25797	8.9
353.13809	2.9
353.19128	1.6
353.26736	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
55.01862	3.2
55.05511	15.1
57.03429	5.7
57.07078	6.1
65.03948	5.8
67.05504	98.6
69.07064	15.8
69.80798	16.2
71.08627	5.6
75.27077	2.6
79.05061	5.0
79.05494	65.8
81.07055	100.0
82.07364	2.9
83.04992	3.2
83.08622	8.9
84.11003	2.8
91.05473	37.3
92.05791	2.6
93.07038	87.1
94.07362	4.3
95.04977	2.8
95.08601	66.5
97.06538	4.3
99.08103	6.7
105.07032	23.4
106.07321	3.0
107.08592	45.9
109.06490	3.3
109.10149	33.1
111.08080	3.5
117.07037	11.6
119.08579	19.4
120.08915	5.5
121.09306	4.3
121.10126	35.2
123.11697	11.8
128.11995	3.2
131.08556	26.1
133.10124	11.9
135.11696	24.1
137.13254	6.6
145.10107	22.4
147.11649	12.6
149.13252	19.5
151.14810	5.4
153.12679	3.0
159.11691	14.8
161.13266	15.8
163.14832	17.5
171.11745	2.2
173.13274	18.4
175.14828	3.3
177.16412	6.2
187.14809	9.3
201.16339	2.6
219.21176	2.5
233.22684	7.0
243.21082	32.0
261.22134	76.8
279.23129	4.4
282.45004	3.1
332.57410	2.8
335.25540	5.4
353.13974	4.0
353.26285	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	353.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16306	1.6
53.03943	3.1
55.01866	2.9
55.05267	2.4
55.05513	28.2
56.05038	80.4
56.05840	2.0
56.96554	2.4
57.04728	8.4
57.05379	12.0
57.05640	3.1
57.07078	2.8
58.06607	2.2
58.92795	1.7
59.04986	2.0
67.05507	20.0
69.03436	12.4
69.07063	15.3
69.28783	5.4
69.29206	18.3
71.04980	5.4
79.05486	18.7
81.03423	9.2
81.07054	24.2
82.06564	2.9
83.04965	6.9
83.08615	3.8
84.04490	5.4
84.08142	49.6
85.02893	5.1
85.04832	2.2
85.06570	8.8
85.07852	5.4
85.08468	11.9
86.09701	8.6
91.05465	11.6
93.07053	20.3
94.62653	1.9
95.04969	49.5
95.08614	21.7
97.02892	2.0
97.06525	6.1
97.10175	23.3
98.21510	4.4
98.97534	2.3
99.04444	4.3
103.43265	1.7
105.07042	24.0
106.06561	6.8
107.04989	9.8
107.08596	23.2
109.02862	7.0
109.06517	11.0
109.10165	17.0
111.04475	2.0
111.08095	10.1
111.11684	2.0
112.11211	2.0
115.05464	2.6
117.06989	4.1
119.04958	2.4
119.08573	16.5
121.02883	2.1
121.06544	3.2
121.10149	17.1
123.04413	5.3
123.08060	6.4
123.11685	4.1
125.06037	2.5
125.09631	7.9
127.03899	6.1
127.08683	100.0
128.09084	74.6
129.07076	2.9
131.04886	2.2
131.08562	5.4
132.08018	1.9
133.06468	4.0
133.10132	15.3
135.08060	39.4
135.11649	4.2
137.05940	3.6
137.08658	3.5
137.09627	45.2
139.11177	7.7
141.06511	2.5
142.06964	2.9
143.10674	7.6
145.10141	7.0
147.04428	3.5
147.08032	2.7
147.11685	7.2
149.09605	9.0
149.13234	3.0
151.07585	3.5
151.11163	8.8
155.11758	3.8
156.12163	3.8
159.08037	3.2
159.09177	4.5
159.11685	2.2
161.09668	4.6
161.13228	2.4
163.11137	6.1
164.76195	1.8
165.09109	3.1
165.12871	3.0
167.07074	7.6
169.13358	32.0
170.13786	49.7
171.08124	3.4
173.13278	3.6
175.11150	3.3
176.04810	1.7
179.10675	7.9
185.13258	2.2
191.07027	12.1
199.07507	4.1
202.07933	2.4
203.14209	2.6
205.10129	2.2
218.07307	4.0
227.12775	2.2
233.09709	2.1
235.07631	3.5
239.16388	2.3
246.06870	2.1
246.12407	19.4
247.12729	58.6
258.98560	1.8
260.08063	2.2
261.09073	6.5
270.70923	2.2
277.08530	3.6
278.09369	2.5
288.17047	12.1
289.08456	7.7
289.17383	86.0
290.08984	2.3
290.17334	4.4
293.11624	5.8
299.19952	3.6
306.08887	3.9
317.21005	7.0
321.11237	15.9
335.22235	7.0
338.11554	2.4
353.10080	3.2
353.13858	15.3
353.23257	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
59.04996	1.1
60.05931	0.6
62.25372	0.7
67.05491	2.3
69.03444	1.1
69.07050	1.6
71.58822	1.3
77.00909	1.8
77.47746	0.7
79.05481	2.3
81.03425	0.7
81.07047	3.1
83.04990	0.7
83.08647	0.8
85.06499	0.7
85.80476	0.7
91.05479	1.4
93.07043	2.4
93.48920	0.6
95.01939	1.2
95.04969	1.4
95.08599	2.4
96.04477	0.7
105.03379	0.7
105.07038	1.6
107.04996	1.2
107.08607	1.8
109.10158	1.3
117.07000	1.0
117.34574	0.6
119.08589	1.0
123.04462	0.8
129.07002	0.6
135.11662	0.7
145.10265	0.8
149.02257	1.0
161.02365	3.0
167.03398	1.5
177.05461	6.3
183.11612	0.7
191.07034	1.2
201.05412	1.6
201.09784	1.1
213.09802	1.3
215.11404	1.6
217.08694	0.7
219.06523	2.2
219.10895	0.9
225.26982	0.7
231.10730	3.2
233.12398	1.0
241.09291	1.1
243.14445	1.3
271.13843	1.6
275.10770	0.8
283.06137	0.8
294.24115	0.9
294.40845	0.7
311.09186	2.6
317.19687	1.0
321.11230	2.7
322.11636	0.8
330.51535	0.7
335.09064	1.8
335.20764	4.4
353.10144	3.3
353.13937	3.3
353.22986	100.0
354.23294	3.7
358.22314	1.4
371.22729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01851	4.5
55.05508	9.2
56.26124	1.2
57.03434	3.3
61.02927	2.1
65.03926	5.6
67.05499	15.9
68.70969	1.6
69.03426	18.0
69.07072	13.1
69.77026	8.9
71.04990	2.4
72.08153	1.8
73.02892	2.5
79.05476	3.3
79.78120	1.4
81.03419	3.5
81.07047	4.3
83.04976	37.2
83.08605	2.5
85.02903	18.9
91.05472	11.1
93.03397	6.6
93.07040	10.6
95.04948	10.5
95.08594	13.4
97.02885	9.0
97.06525	6.6
98.21478	2.7
99.04431	2.6
105.03361	6.2
105.07007	8.9
107.04953	11.9
107.08594	23.8
109.02840	3.2
109.06487	3.6
109.10121	6.3
111.04438	28.4
111.08092	2.8
117.07005	2.5
119.08578	28.4
121.02866	2.4
121.06479	9.8
121.10123	15.2
123.04428	26.3
123.08076	3.5
127.03910	6.0
129.05501	13.7
129.06989	2.0
131.08553	7.8
133.02861	14.5
133.10118	24.9
134.03621	11.6
135.04425	3.8
135.08063	12.9
135.11691	17.3
137.09593	6.7
137.13371	1.8
139.03952	9.1
143.08548	4.8
145.10144	7.1
147.04381	2.6
147.11681	14.8
149.09547	7.7
149.13274	8.6
151.03900	10.4
157.04961	5.6
157.10088	2.1
158.10857	8.6
160.05049	37.0
161.02382	10.3
161.09596	3.4
161.13263	2.7
162.03117	4.3
163.03902	7.6
163.14787	6.7
171.11703	2.5
173.05977	1.8
173.13254	27.3
175.14816	20.1
179.03389	48.3
180.03963	1.9
181.06398	2.0
189.12762	4.0
191.14299	100.0
192.07677	32.8
199.07439	1.8
203.14287	2.7
207.02733	1.7
209.15500	1.9
215.14333	2.0
233.15399	2.3
245.07950	1.4
257.15302	1.5
287.16498	2.7
291.91840	1.4
335.18384	5.3
353.08521	2.4
353.19519	19.0
356.32578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
69.03423	6.0
71.03186	7.5
76.38146	2.8
85.02896	7.6
89.61337	3.2
112.89648	3.2
127.03893	3.9
161.02985	5.5
173.02870	5.1
185.03073	4.5
198.05283	7.5
233.44072	3.5
245.05107	8.5
301.76157	3.0
309.37985	3.0
317.23706	3.3
353.04114	5.1
353.08441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
55.01863	4.4
55.05518	12.0
57.03432	1.8
65.03946	12.2
67.05504	24.0
69.03434	19.5
69.07067	4.4
70.06582	2.5
71.58984	1.8
72.08156	3.2
77.03925	3.3
79.05518	7.6
80.51340	1.5
81.03403	6.7
81.07047	5.6
83.04986	70.4
84.08118	2.8
85.02898	25.0
87.04464	2.3
87.10223	1.6
89.03889	2.4
91.05468	4.2
93.03413	17.0
93.07055	3.5
95.04975	18.6
95.08599	3.1
97.02868	3.4
104.97935	1.7
105.03395	16.2
105.07032	4.7
107.04971	27.2
107.08595	6.7
109.02860	3.7
109.10138	3.0
111.04446	74.5
111.05219	3.5
113.98087	1.7
115.03918	3.1
119.08566	6.0
121.02879	3.8
121.06527	2.6
121.10139	5.5
123.03563	3.5
123.04433	53.8
127.03904	3.7
129.05482	27.8
129.06956	2.2
131.08595	2.8
133.02852	51.1
133.10126	4.7
134.03676	8.0
135.04413	6.7
135.08064	1.9
135.11687	4.2
135.48265	1.4
136.07527	2.1
137.05933	3.2
139.03905	22.7
143.08572	2.1
144.71980	1.6
147.04416	4.9
147.08089	1.9
147.11690	3.5
149.09630	2.1
149.13269	3.9
151.03917	21.8
153.05457	1.7
153.06955	4.7
157.04987	13.4
160.05086	5.8
161.02345	22.9
161.05991	2.0
162.03123	3.1
163.03891	15.5
163.14825	4.1
164.07027	2.0
173.05968	5.1
173.13275	4.7
175.05994	2.7
175.14809	3.0
179.03403	100.0
180.03865	4.6
181.06464	5.8
187.25323	1.7
191.14313	18.2
192.02678	2.9
192.07663	5.8
192.34032	1.8
197.04408	4.3
199.07529	4.4
207.02960	5.0
227.07077	2.6
243.06589	2.0
250.09663	1.6
258.98114	1.9
261.07352	1.7
265.16238	2.1
289.11993	1.8
335.12442	3.5
335.39102	2.0
353.08780	3.9
353.13324	4.1
353.19855	3.3
353.90213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2846
Annotation	Melophlin F
Peak:m/z	Relative Intensity
55.05513	15.2
56.05030	6.1
57.07071	3.8
58.02691	1.8
58.02951	10.2
58.06584	6.4
60.04519	4.5
67.05506	45.3
69.07076	25.9
70.06595	56.8
71.08618	2.9
71.22556	3.5
73.84257	1.9
79.05489	26.6
80.05036	3.8
80.38887	1.8
81.07058	39.3
82.06574	18.1
83.08610	8.9
84.04506	9.7
84.08138	5.0
85.06533	3.1
86.09676	2.1
86.17022	1.9
91.05488	10.4
93.07036	29.3
94.06584	12.6
95.04949	3.4
95.08599	27.2
96.08129	19.8
97.06529	4.1
97.10151	3.9
98.06078	2.5
100.11254	2.6
105.07027	10.3
107.08592	14.1
108.08117	4.3
109.08981	2.3
109.10155	19.9
110.09673	3.1
114.12794	6.6
117.06999	2.9
119.08572	8.8
120.08099	2.5
121.10155	8.7
123.08118	2.8
123.11705	4.2
126.12793	52.4
131.08569	3.5
133.10091	3.9
135.11688	8.3
137.09608	2.6
137.13229	2.1
138.12814	2.1
145.10112	2.9
147.11678	4.0
149.13319	3.0
152.14326	4.2
154.12270	14.3
156.13847	3.0
161.13240	2.7
162.12764	2.5
163.11201	2.4
166.15923	40.3
173.13129	2.9
180.13806	7.0
210.14822	2.4
212.16458	51.2
220.16920	14.2
240.15956	6.4
250.17929	2.6
252.19597	60.9
261.22281	2.2
263.23666	2.7
267.34726	2.3
303.23199	3.3
310.27188	2.7
320.25748	3.7
334.27463	17.3
352.28439	100.0
353.28745	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	352.2843
Annotation	Melophlin R
Peak:m/z	Relative Intensity
53.03939	0.6
55.01869	0.8
55.05313	0.3
55.05511	3.5
56.05036	2.2
56.05865	0.5
57.03430	0.7
57.07077	0.7
62.06082	0.6
65.03936	0.4
67.05505	6.1
68.05835	1.5
69.03417	0.5
69.04484	0.3
69.07069	5.1
70.29974	1.3
71.05011	0.4
71.08621	0.7
73.66176	0.4
74.06083	6.7
79.05489	4.7
80.04992	0.9
80.05822	0.7
81.03416	1.0
81.07059	6.5
82.06601	0.5
82.07391	0.9
83.04968	0.8
83.08627	0.9
83.21806	0.3
84.08128	0.5
85.06545	0.5
87.66691	0.4
91.05474	3.1
92.05803	0.6
93.07040	5.5
94.06571	0.6
94.07364	1.1
95.04967	1.5
95.08611	5.0
96.04479	1.1
96.05314	0.3
96.08976	0.3
97.10175	1.0
98.18262	0.4
99.08096	0.8
100.07638	0.7
105.07034	4.7
106.07353	0.8
107.04956	1.1
107.08590	5.5
108.08137	0.4
108.08921	0.7
109.06517	1.1
109.10143	2.6
110.10484	0.7
111.08070	0.6
112.23772	0.4
117.07031	0.5
118.07504	0.4
119.08583	4.7
121.10137	2.2
123.08082	0.6
123.11720	0.7
124.07605	0.6
125.09628	0.8
127.08698	0.8
128.10698	0.9
129.06963	0.4
131.08565	0.8
133.06499	0.9
133.10094	2.9
134.10460	0.4
135.08069	0.7
135.11696	1.8
136.12035	0.6
137.13260	0.4
140.07007	0.3
142.12273	1.8
143.08525	0.4
145.10121	0.5
147.11699	2.4
149.13290	1.7
151.11163	0.5
152.10710	1.1
154.12125	0.4
161.13231	3.2
162.12781	1.4
163.14861	1.0
171.11571	0.4
175.14833	1.7
178.12306	0.6
180.13712	0.6
184.73415	0.4
196.13419	0.4
205.19489	0.5
206.15413	12.4
208.16953	4.7
217.19469	1.3
222.14943	0.4
222.18521	6.4
224.16560	0.6
224.20135	1.0
231.21130	0.5
233.08003	0.8
246.12372	0.5
260.07626	0.4
260.20868	1.1
278.21967	2.1
282.20474	0.8
288.16943	0.5
292.22806	0.9
320.25919	1.5
321.11160	0.8
352.28467	100.0
353.10156	0.7
353.14047	1.3
353.28821	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	352.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01863	9.9
55.05512	28.9
56.05032	6.1
57.03446	6.6
57.07076	5.1
58.06598	3.4
60.04518	17.6
65.03884	2.4
66.37005	2.8
67.05505	54.8
68.05025	3.4
68.05820	6.9
69.07070	47.2
70.06566	4.5
70.07392	4.7
71.05022	4.0
71.08611	5.4
71.59695	3.5
79.05499	50.7
80.05023	25.6
80.05801	4.8
81.03430	4.5
81.07061	57.0
82.06600	5.4
82.07378	4.0
83.04972	6.0
83.08611	9.8
84.08136	3.7
84.62968	2.9
85.06561	4.6
91.05485	41.1
93.07050	39.5
94.06570	23.8
94.07375	7.7
95.04957	9.6
95.07368	3.3
95.08617	31.7
96.08949	5.4
97.06535	6.7
97.10167	11.5
99.08095	8.0
105.07027	39.3
106.06593	4.3
106.07280	3.0
107.04942	4.2
107.08599	35.0
108.08125	10.3
109.06496	7.9
109.08943	3.2
109.10155	13.8
110.10457	3.9
111.08104	4.8
117.07040	9.7
119.08576	28.7
120.08118	2.9
120.08931	3.0
121.06493	3.0
121.10151	17.0
122.06026	2.7
122.10604	3.1
123.08101	3.8
123.11698	2.9
125.09624	7.0
131.08586	11.3
133.10156	23.0
135.08064	5.3
135.11705	7.8
136.11217	4.4
144.28967	2.7
145.10136	9.1
147.11707	19.5
148.11130	3.1
149.05997	13.5
149.09720	5.2
149.13266	3.8
151.11179	6.5
154.12276	7.8
157.10208	3.3
159.11684	6.5
161.13312	9.1
163.11208	8.7
165.12816	4.0
169.10103	2.9
171.11662	5.1
172.13385	5.8
177.05487	11.9
177.12776	5.7
204.13826	27.8
206.15431	6.1
210.14827	6.4
222.14897	32.5
223.15628	3.5
224.16473	6.9
233.15564	2.6
257.19037	10.4
260.20944	9.0
272.20074	4.4
274.21622	19.7
275.20032	42.0
278.21970	10.2
290.21176	6.1
292.22705	100.0
293.23395	4.7
316.22678	5.1
321.10852	2.9
334.23694	20.3
352.25110	69.2
353.10037	5.2
353.13861	6.1
373.63849	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	352.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
54.25866	2.2
55.01877	4.2
55.05512	20.3
56.05034	7.5
57.03415	4.3
58.06591	7.7
60.04534	14.5
60.50400	1.9
61.27031	1.9
67.05507	52.6
69.07069	38.1
70.06589	5.1
71.04423	6.4
71.08636	6.0
77.08014	2.1
79.05493	30.6
80.05022	33.0
80.05784	2.9
81.03401	2.8
81.07061	44.0
82.06577	4.3
82.07405	5.2
83.04980	5.1
83.08607	7.4
84.08138	2.7
85.06532	3.5
85.08275	2.2
91.05486	28.7
93.07036	30.8
94.06561	20.2
94.07407	4.4
95.04973	9.2
95.08612	25.8
96.08145	3.5
97.06539	4.2
97.10174	8.3
99.08135	6.9
105.07025	35.8
106.06562	5.6
106.07245	2.6
107.04948	3.5
107.08606	33.4
108.08140	9.9
108.08866	4.1
109.06514	5.2
109.10156	10.3
111.08064	2.9
112.18217	2.4
117.07020	6.2
119.08581	21.9
120.08121	4.4
121.10133	13.5
121.50334	2.2
122.09672	5.1
125.09654	7.1
127.08739	3.0
129.06969	4.0
131.08575	7.7
133.10130	21.7
134.09608	3.1
134.10518	3.5
135.08072	2.6
135.11691	5.6
137.09618	4.2
145.10126	7.9
147.04471	3.2
147.11688	11.3
148.11198	2.7
149.05978	5.6
149.09630	3.7
151.11098	3.1
154.12262	12.5
159.11717	6.6
161.13153	5.0
163.11209	7.1
171.11641	2.9
172.13365	7.2
173.13243	4.9
176.14348	4.4
177.05510	6.9
177.12784	5.2
183.11584	2.6
196.13274	2.8
197.12985	2.2
204.13835	24.0
206.15393	4.4
210.14777	2.8
222.14883	33.5
223.15546	5.6
224.16470	6.1
257.19028	9.2
260.20932	3.1
272.20197	4.3
274.21658	22.6
275.20093	36.5
278.21954	6.1
290.21283	3.9
292.22693	100.0
293.20810	3.6
334.23724	13.0
352.25024	51.4
353.13800	6.5
353.25137	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	352.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01335	0.8
53.03940	1.6
55.05505	11.4
56.05036	43.5
56.53307	1.0
57.07054	3.2
58.06594	1.9
61.01144	1.1
62.99055	1.9
66.93516	0.8
67.05492	3.5
69.03433	1.6
69.76360	6.1
73.04010	1.3
79.05482	1.7
81.07041	1.5
82.06572	3.4
84.04495	3.6
84.08144	36.0
85.02879	1.1
85.06509	0.7
86.09708	4.9
91.05447	1.4
93.07042	2.5
94.07327	0.9
95.04949	1.5
95.08572	0.8
96.04484	3.8
99.04406	1.1
105.07024	1.6
106.06557	19.0
107.04932	1.4
107.08604	1.1
119.05280	17.3
127.08678	100.0
128.09030	1.8
130.06862	2.3
131.04900	1.9
132.05261	1.1
144.04781	2.5
162.05788	4.4
167.07056	1.1
169.13364	47.0
170.13693	1.0
192.07628	2.7
201.05423	2.1
203.08301	1.0
234.12366	4.1
246.12386	42.6
247.12698	1.0
259.82742	1.0
288.17068	83.3
289.17300	2.8
292.10895	1.0
293.11566	0.9
320.10010	1.1
334.15988	3.5
335.09079	2.2
339.41425	0.9
352.12570	1.6
353.10123	4.7
353.13910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34171	0.2
53.03909	0.2
54.06062	0.2
55.05508	4.8
56.05034	40.5
57.04560	0.3
57.07072	0.9
57.30879	0.2
58.06593	1.0
67.05498	1.7
69.45296	1.5
69.45715	0.8
72.08163	0.6
78.52400	0.2
79.05552	0.3
82.06561	1.5
84.04503	3.1
84.08143	30.6
85.08468	0.5
86.09704	4.7
87.01968	0.5
93.42846	0.2
98.06065	0.6
105.05777	0.5
106.06556	2.9
112.11263	0.8
127.08674	100.0
128.09042	1.9
141.06584	2.5
145.96223	0.2
155.11790	4.0
157.13338	0.5
169.13362	46.3
170.13689	1.2
186.61147	0.3
246.12375	45.4
247.12782	1.9
288.17050	61.2
289.17358	3.7
348.37744	0.3
352.16821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
53.12390	5.1
54.15969	6.2
55.01857	7.5
55.05513	9.1
57.03423	10.9
61.02917	6.3
63.07644	5.7
67.05492	13.0
69.03429	49.1
69.07065	78.9
69.54803	6.7
69.55141	49.4
70.06596	8.0
70.15333	5.6
71.04976	7.8
72.08166	29.2
73.02894	5.2
79.05473	6.6
81.03400	23.4
81.07066	7.4
83.04977	13.7
84.08139	12.1
85.02438	7.5
85.02904	100.0
86.09705	32.8
87.00835	50.3
91.05466	23.2
93.07015	7.1
95.04935	11.4
97.02897	58.7
99.04442	12.0
105.01868	90.4
107.08535	11.8
109.02847	18.7
113.67581	5.4
119.04962	13.9
120.08084	9.5
122.06085	6.8
123.04414	9.2
127.03922	98.5
131.04881	8.0
131.08575	5.4
136.06078	6.9
136.07588	79.7
139.03870	11.2
145.04950	71.7
147.04387	20.3
147.09180	8.4
159.02951	11.4
164.07001	6.9
167.88597	5.3
187.10785	6.2
191.14209	6.2
193.09735	45.0
220.11974	10.2
221.09109	10.3
231.04994	33.2
232.42235	6.1
249.06183	8.2
264.15878	9.7
301.06287	5.7
335.12271	9.8
347.17026	5.9
352.26105	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21954	2.7
52.13809	3.4
53.03954	4.6
55.01863	7.7
57.03436	5.2
61.02920	8.7
66.33678	3.0
69.03436	38.9
69.07069	75.0
69.94763	13.6
71.05004	3.8
73.02911	9.6
81.03413	19.4
85.02908	100.0
86.09725	5.0
87.00830	42.7
97.02290	4.3
97.02894	63.2
98.21465	3.2
99.04442	11.5
105.01182	5.2
105.01872	82.8
109.02856	20.6
109.06501	3.1
111.08065	4.0
111.69642	2.8
117.01825	3.7
124.24917	2.8
127.02972	4.1
127.03915	84.1
127.04810	5.3
145.04961	54.6
159.02885	16.6
159.41904	3.0
159.64192	3.1
189.03938	4.3
231.04947	28.8
249.06076	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	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56368	5.8
55.01867	16.3
55.05496	12.4
57.03429	7.6
59.46119	5.6
60.04535	7.0
60.18003	5.4
61.02914	12.0
67.05483	6.3
69.03426	51.1
69.07069	70.5
70.06589	12.4
71.04999	5.7
71.58655	14.4
72.08151	30.2
73.02905	11.5
74.26032	6.1
79.05466	6.0
81.03410	30.4
81.07065	8.7
83.04978	10.9
83.53766	5.5
84.08132	7.8
85.02898	93.5
86.09706	31.6
87.00831	45.6
91.05480	23.1
92.74362	5.4
93.07047	11.1
95.08582	5.4
96.08149	6.5
97.02895	76.5
99.04402	13.5
105.01878	83.3
106.06522	6.4
109.02853	28.6
111.08157	7.3
119.04942	20.2
120.08127	14.1
123.04427	13.5
124.07550	6.3
127.03912	90.5
129.10222	7.3
131.04962	9.8
136.06155	9.7
136.06413	10.4
136.07562	100.0
139.03906	19.7
145.04944	50.9
147.04427	33.1
159.02858	10.9
164.07098	12.1
193.09763	40.9
202.75682	5.8
214.61348	6.2
220.11913	16.3
221.09270	7.4
231.05006	22.6
247.37990	6.2
249.06107	10.5
264.15811	7.6
305.61874	6.6
352.14835	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.6
53.03938	11.4
55.01868	7.9
55.05511	35.4
57.03439	21.6
57.07065	4.6
59.04992	3.1
63.79819	2.4
65.03931	3.5
67.05502	100.0
69.03428	3.8
69.07065	27.5
69.13088	2.1
71.04974	5.7
71.08629	50.7
71.41734	5.4
79.05493	70.9
81.03413	15.9
81.07058	73.4
82.54686	2.5
83.04977	10.7
83.08617	14.4
85.06528	3.9
91.05478	56.5
91.06020	4.8
93.07043	73.9
94.07384	2.5
95.04958	22.1
95.08047	4.4
95.08607	48.4
97.06535	8.1
97.10173	10.2
99.08094	51.3
105.07022	45.2
107.04957	5.2
107.08589	47.0
109.06512	7.8
109.10148	27.2
111.08098	4.7
115.05466	2.6
117.07018	11.5
119.08585	36.7
121.10137	29.2
123.08033	3.7
123.11738	5.6
125.09636	11.0
129.07031	7.0
131.08578	14.6
133.10139	35.3
135.08057	6.0
135.11682	28.6
139.11115	3.4
143.08572	8.1
145.10109	17.5
147.11684	29.3
149.09644	3.3
149.13280	17.2
151.11160	27.8
157.10138	6.2
159.11703	11.4
161.09761	3.4
161.13245	27.6
163.11136	15.0
163.14816	6.5
165.12671	3.8
171.11671	9.8
173.13300	6.0
175.14818	12.3
179.14299	15.8
185.13281	9.8
189.11163	3.9
189.16447	3.3
193.15994	3.1
209.13223	2.7
217.19571	4.7
221.15309	4.7
231.21095	9.4
241.19531	16.9
259.20563	41.5
277.21640	50.4
281.05270	2.8
288.41443	2.8
296.52301	2.7
351.25583	34.5
352.25186	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93259	1.3
53.03947	4.6
55.01870	4.5
55.05508	26.0
56.05060	1.8
57.03439	19.4
57.07067	5.1
60.04505	2.5
65.03925	2.4
67.05504	68.4
69.03424	2.3
69.07072	25.8
69.35635	7.2
69.36057	7.0
71.04992	4.9
71.08631	75.1
72.97391	1.4
75.13674	1.5
77.25153	1.5
79.05493	59.7
80.05822	1.5
80.81632	1.3
81.03433	11.4
81.07060	67.9
83.04990	13.7
83.08619	13.1
84.08079	1.7
85.06561	4.4
91.05484	42.8
93.07042	69.0
95.04977	18.0
95.08608	47.1
96.08954	1.4
97.06533	12.7
97.10181	4.6
99.08096	43.3
105.07034	26.6
105.07681	2.3
106.64963	1.6
107.04960	9.7
107.08593	36.8
109.06531	7.6
109.10160	17.7
111.08114	2.5
113.05980	1.5
113.09643	3.4
117.01301	1.4
117.07030	7.0
119.08581	19.5
121.06516	3.3
121.10143	32.6
123.08073	3.2
123.11713	2.0
125.09673	1.5
127.11186	1.9
129.07089	3.6
131.08572	6.3
133.10123	17.9
133.44261	1.4
135.08116	1.4
135.11688	38.0
137.09612	5.2
139.11172	3.2
141.09138	6.0
142.85603	1.4
143.08559	4.1
145.10135	4.4
147.11684	11.5
149.09628	2.4
149.13251	14.2
150.12794	2.2
151.11183	32.7
151.12361	2.3
153.12769	3.5
154.12321	1.8
157.10156	3.0
159.11716	8.3
161.13237	18.9
163.11186	9.1
163.14825	1.6
165.12755	3.4
167.10651	2.4
171.11719	4.1
173.13257	3.3
175.14818	1.7
176.14343	2.0
177.12741	9.2
179.14314	100.0
180.14728	2.3
181.12192	1.7
185.13300	2.6
189.12827	3.3
194.15465	4.5
195.13814	1.8
199.14900	1.9
208.13367	2.0
209.15291	1.6
212.16498	4.7
221.15401	3.6
226.14389	4.5
235.16948	4.6
236.16443	2.0
241.19603	2.3
254.17653	2.6
259.20535	11.7
264.23178	2.2
274.21637	4.2
275.20020	3.6
277.21634	36.4
292.22720	13.9
293.21100	13.1
310.23880	7.1
334.23862	4.8
351.25348	24.5
352.24808	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01873	6.7
55.05508	32.3
55.53445	1.9
56.96565	2.9
57.03437	22.2
57.07068	9.0
58.06589	3.8
59.05011	2.2
65.03939	4.5
67.05502	89.9
69.03423	2.7
69.07062	28.4
70.02322	11.1
71.04985	4.1
71.08630	43.7
72.43678	2.5
79.05492	63.4
81.03426	8.3
81.07050	100.0
83.04998	10.3
83.08612	21.6
85.06549	8.1
85.10201	2.4
91.05476	56.4
93.07043	81.0
95.04965	17.3
95.08602	71.0
97.06522	16.3
97.10163	5.1
97.62910	2.1
99.08081	28.0
105.07032	45.8
106.38839	2.0
107.04962	5.9
107.08585	39.3
109.06527	12.7
109.10144	30.9
109.86002	2.4
111.08097	9.9
113.09585	3.5
117.07014	8.6
119.08576	31.4
121.06493	4.3
121.10143	33.3
123.08058	7.0
123.11682	5.1
125.09595	3.8
127.11178	3.1
129.07014	8.9
131.08546	10.4
133.10115	25.4
135.11702	35.4
137.05936	12.8
137.09636	7.9
137.13257	4.0
143.08577	9.3
143.61864	2.4
145.10120	10.3
147.08026	3.5
147.11693	20.1
149.09619	5.9
149.13248	16.9
151.11189	18.1
152.38972	2.0
154.12340	2.5
157.10153	4.8
159.11714	7.6
161.13232	22.2
163.11159	7.8
163.14818	6.6
165.12737	3.0
167.10727	4.9
171.11754	7.4
173.13165	3.6
175.11276	2.8
175.14825	9.8
177.12784	5.5
179.14308	70.3
179.15820	4.5
184.37560	2.2
185.13292	4.7
189.12825	4.4
193.43260	2.0
207.13809	3.3
221.15439	5.2
231.21022	7.3
235.16995	3.5
241.19539	8.8
249.22179	5.9
259.20544	17.6
277.18271	3.7
277.21631	43.6
278.52719	2.2
295.22577	2.8
333.22287	2.3
351.12021	2.8
351.25467	41.4
352.25159	4.1
373.87753	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01867	8.8
55.05516	29.3
57.03444	21.0
57.07073	5.0
59.11488	2.4
67.05510	68.9
69.03432	2.2
69.07068	24.5
70.26055	8.5
71.04987	3.9
71.08636	63.6
79.05502	52.5
81.03418	7.5
81.07057	71.7
82.07401	3.1
83.04987	13.2
83.08630	19.5
83.40423	2.6
85.06542	4.4
85.45963	2.5
91.05483	44.3
93.07047	73.9
95.04983	15.0
95.08613	41.3
95.62679	2.0
97.06526	10.9
97.10171	6.1
99.08103	36.7
105.07034	30.7
107.04959	7.8
107.08600	34.7
109.06507	8.4
109.10168	22.3
111.04440	3.4
111.08118	3.9
113.09657	5.3
117.07019	8.4
119.08578	25.1
121.10146	29.1
121.13060	2.2
123.08088	2.2
125.09689	2.9
125.14943	2.1
129.06990	4.6
131.08565	8.7
133.10138	22.2
135.11681	34.9
137.05994	23.6
137.09584	6.1
137.13190	2.0
139.11201	2.9
141.09119	5.9
143.08546	6.4
145.10149	5.1
147.11685	10.3
149.13242	13.4
150.21698	2.1
151.11160	23.3
153.12770	3.7
154.12276	4.1
157.10138	4.0
159.11710	8.8
161.13278	17.0
163.11186	7.2
171.11679	6.7
172.13348	4.3
173.13237	2.8
175.11182	2.5
175.14848	5.3
177.12773	2.5
179.14323	100.0
180.14661	3.6
184.04645	2.6
185.13226	3.7
189.12646	2.7
196.13351	2.2
210.97015	2.1
221.15443	3.8
231.21159	3.1
235.16922	6.3
241.19612	3.6
249.18219	2.5
259.20593	9.9
263.84357	2.1
271.79575	2.2
277.18347	5.1
277.21631	32.7
278.21906	2.7
351.21683	2.6
351.25366	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01860	3.3
55.05513	25.5
57.03436	15.1
57.07082	4.4
58.06333	1.6
65.03924	2.8
66.39326	1.6
67.05505	63.1
69.03434	2.0
69.07072	21.0
70.05350	3.4
70.05761	7.4
71.04990	3.9
71.08630	66.3
79.05492	53.7
79.05950	2.7
81.03410	7.2
81.07056	60.8
83.04975	13.2
83.08620	9.9
85.06545	5.0
91.05486	32.8
93.07043	64.5
95.04964	14.2
95.08600	42.0
97.06525	12.5
97.10167	6.7
99.08093	44.1
105.07027	24.7
107.04955	10.1
107.08591	36.7
108.08893	1.7
109.06513	6.2
109.10143	18.0
111.08043	2.9
113.09646	4.4
117.07042	5.1
119.08568	20.1
121.06495	2.1
121.10146	34.0
123.08052	2.1
123.11710	2.9
125.09610	2.6
127.11227	3.7
129.06996	2.1
131.08568	6.1
133.10129	18.7
135.08084	2.9
135.11693	34.9
135.70079	2.1
137.09605	5.8
141.09109	4.6
143.08536	2.2
145.10115	6.7
147.11702	7.8
147.75613	1.8
149.13261	13.1
150.12851	2.3
151.11177	24.9
157.10158	3.4
159.11665	5.6
161.13243	16.7
163.11157	12.9
163.14783	3.5
165.12683	3.3
167.10629	2.4
173.13226	3.0
175.14790	4.5
177.12749	6.2
179.14310	100.0
180.14618	2.6
185.13286	3.9
189.12756	1.7
194.15421	2.7
199.14832	2.2
199.84508	1.8
213.13420	1.9
221.15359	4.3
226.14407	2.4
235.17038	4.7
241.19576	5.0
253.68187	1.6
259.20682	7.9
274.21640	2.7
275.19931	2.3
277.21613	29.8
292.22635	10.6
293.21112	9.0
310.23761	4.8
334.23676	2.8
342.85925	2.0
351.25287	21.8
352.24939	21.8
358.90982	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12006	2.4
53.03937	3.7
55.05504	15.4
56.96588	2.9
57.03424	8.7
57.07079	3.5
67.05502	47.8
69.07068	16.9
70.20760	8.9
75.52892	2.1
77.03938	2.4
79.05494	68.6
81.07058	55.5
83.08601	4.5
85.06544	4.6
91.05480	54.0
93.07044	88.9
95.04952	7.9
95.08604	38.1
97.10166	2.1
97.53481	2.0
99.08077	4.1
105.07028	57.2
107.08598	52.3
109.10126	16.0
117.07015	13.4
119.08581	51.0
121.10147	40.2
123.08080	3.0
123.11680	3.2
129.06996	7.9
129.51404	2.1
131.08569	21.0
133.10136	50.0
135.11693	43.6
143.08536	6.7
145.10127	22.1
147.11694	46.8
149.09555	2.4
149.13258	31.7
157.10159	8.5
159.11673	21.6
161.13243	36.1
163.11195	3.4
163.14803	11.8
171.11734	14.6
173.13214	12.0
175.11008	3.1
175.14813	15.0
177.12770	2.6
185.13184	14.0
187.14803	2.3
189.12689	2.6
189.16389	3.6
199.14812	9.7
213.16287	3.6
217.19479	3.1
231.17604	3.4
231.21031	8.8
241.19511	36.6
256.56949	2.8
259.20575	100.0
260.20901	6.2
277.21545	13.9
328.06155	2.2
333.24121	6.8
351.18588	4.2
351.25296	50.2
352.25604	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35716	1.2
53.03940	3.9
55.05516	17.2
56.96571	13.2
57.03428	5.4
57.07067	3.5
67.05505	46.3
69.07073	15.3
69.80014	3.7
69.80434	5.8
71.05011	1.7
71.08638	3.6
75.04480	2.3
77.03883	1.6
79.05493	60.4
81.07058	48.7
82.88629	1.4
83.04998	1.8
83.08618	7.9
85.06548	3.8
91.05482	59.0
93.07043	79.3
95.04965	6.7
95.08604	31.2
96.08955	1.3
97.06551	2.4
97.10139	2.7
99.08083	5.0
100.85051	1.3
102.51239	1.4
105.04485	1.5
105.07034	60.6
107.08588	43.9
109.06503	2.2
109.10154	14.8
111.08089	1.6
113.09623	2.5
117.07015	14.2
119.08575	53.5
121.10146	31.4
123.08047	2.1
123.11690	2.4
128.06172	1.5
129.06984	9.0
130.84653	1.3
131.08568	22.9
133.10133	58.3
135.08060	2.5
135.11697	37.2
137.09630	2.0
137.13254	2.0
143.08563	8.3
145.10117	25.2
146.99615	1.4
147.11685	47.7
149.09631	2.2
149.13251	23.8
151.11137	2.1
157.10126	10.6
159.11693	21.1
161.13254	36.3
163.11166	3.2
163.14842	5.7
165.12729	2.1
171.11705	14.1
173.13219	11.4
175.14813	14.9
177.12877	2.3
185.13278	14.3
187.14844	3.5
189.12686	2.1
189.16403	1.8
199.06317	1.7
199.14804	9.1
203.14325	2.3
205.48120	1.5
213.16389	4.5
217.07640	3.4
217.19458	1.5
231.17592	2.6
231.21095	9.5
239.09662	1.6
241.19489	32.2
243.09070	1.5
245.10844	1.5
250.30148	1.6
255.09033	6.5
259.20578	100.0
260.20871	5.5
267.09213	2.0
269.10669	6.0
273.10126	3.8
277.21674	3.3
285.10156	5.7
287.11789	2.1
295.14352	1.8
333.17499	1.7
351.18634	12.1
351.25290	46.3
352.25653	3.3
369.19537	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
55.01867	3.5
55.05510	24.7
57.03437	10.7
57.07076	5.2
63.71695	2.9
67.05506	71.1
68.05786	2.6
68.22472	2.4
69.07067	21.0
69.80917	17.7
71.04971	4.2
71.08632	24.0
79.05494	68.1
81.07062	79.6
83.04964	6.7
83.08607	13.0
85.06536	3.8
91.05482	58.4
92.05802	3.6
93.07038	100.0
95.04974	12.2
95.08604	52.6
97.06541	7.1
97.10175	5.5
98.20877	4.0
99.08099	22.6
100.14261	2.7
103.05404	3.1
105.07024	66.4
107.04952	6.7
107.08590	51.9
109.06484	3.2
109.10149	20.4
111.08085	5.0
113.09654	2.6
117.07017	14.4
119.08580	66.2
121.10146	41.6
123.08104	3.4
123.11722	5.2
129.07019	6.2
131.08589	23.9
133.10124	50.9
135.08038	4.4
135.11691	38.7
137.09579	3.6
143.08540	11.0
145.10100	25.1
147.11673	47.0
149.09633	3.6
149.13240	22.9
151.11174	14.1
152.70186	3.0
157.10152	10.2
159.11685	22.4
161.09599	3.8
161.13261	45.3
163.11176	6.3
163.14850	4.8
171.11746	16.3
173.13295	11.0
175.14842	12.7
177.12701	3.2
179.14313	33.6
185.13271	17.1
187.14735	3.7
189.12770	5.0
199.14824	6.9
213.16379	6.8
215.17941	4.0
231.17430	3.5
231.21080	7.4
241.19525	30.8
243.75934	3.1
249.22243	3.6
259.20575	86.2
270.45941	2.6
277.21634	20.5
351.25299	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
53.26487	1.7
55.01866	2.9
55.05510	26.8
56.32439	1.9
57.03445	13.2
57.07066	6.7
60.04808	1.8
65.03921	3.0
67.05503	69.0
69.07066	24.1
70.84538	3.1
70.84875	3.9
71.04993	2.8
71.08632	45.3
78.29282	1.8
79.05491	69.6
79.05960	3.3
81.03420	5.6
81.06579	4.2
81.07053	74.7
83.04527	1.9
83.04978	11.1
83.08610	12.7
85.06539	6.0
87.73519	2.0
91.05474	57.5
92.29820	2.1
93.07042	100.0
95.04980	19.1
95.08604	50.0
95.77227	1.7
97.06509	8.0
97.10153	4.0
99.08086	35.7
105.06303	2.3
105.07028	52.8
107.04949	7.7
107.08590	60.0
109.06509	3.3
109.10155	20.6
111.08096	4.5
113.09617	4.4
117.07032	10.8
119.07796	3.4
119.08584	43.5
120.08816	1.9
121.10138	48.0
123.08068	3.3
123.11720	5.1
128.14874	1.9
129.07004	8.0
131.08571	15.4
133.09129	2.3
133.10129	39.2
135.08052	3.7
135.11684	49.8
136.12015	2.3
137.09616	4.4
141.09143	3.0
143.08562	8.7
145.10097	19.4
147.11681	33.2
149.09599	2.9
149.13255	25.8
151.11183	16.8
153.12727	1.8
157.10063	8.8
159.11682	13.5
161.13261	30.7
163.11205	7.6
163.14793	8.5
171.11713	14.1
173.13292	8.6
175.14809	14.3
177.12770	6.3
179.14308	74.1
185.13197	10.7
189.12794	5.3
195.13826	2.5
199.14870	5.2
213.16368	4.9
217.15952	2.8
217.19479	3.8
221.15334	3.5
231.17685	2.4
231.21016	4.3
235.17000	4.6
241.19464	20.6
259.20572	55.4
260.21057	1.9
277.21606	32.2
333.24219	4.4
340.85968	1.8
351.25323	43.8
352.25629	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01864	4.9
55.05510	20.6
56.67480	1.4
57.03440	10.2
57.07075	4.0
65.03938	2.7
67.05503	54.9
69.07074	20.2
70.84589	3.9
71.04987	4.5
71.08633	3.4
75.04466	2.6
79.05492	71.2
81.07056	65.7
83.04976	2.9
83.08631	9.6
85.06531	3.1
91.05478	63.6
93.07043	100.0
95.04957	9.1
95.08609	41.3
97.06533	3.1
97.10183	4.6
99.08078	7.2
105.07030	59.4
107.07869	3.1
107.08593	56.2
109.06532	4.5
109.10162	16.7
111.04446	1.9
113.09679	2.0
115.05486	1.6
117.07019	15.7
119.08582	54.1
121.09316	3.3
121.10147	44.9
123.08032	2.0
123.11694	6.7
128.06232	2.1
129.07002	8.6
131.08585	22.1
133.10133	50.3
135.08075	3.2
135.11688	42.0
137.05962	16.2
143.08568	11.2
145.10120	23.2
147.08075	1.6
147.11685	46.2
147.12798	3.1
149.09619	3.2
149.13258	24.8
151.11159	3.4
157.10161	12.2
159.11700	17.8
161.09685	2.2
161.13260	39.4
163.11188	6.3
163.14806	9.9
171.11708	13.7
173.13281	11.8
175.11177	2.4
175.14804	22.2
177.12735	2.5
177.16284	1.6
181.12247	1.8
185.13258	13.4
187.14842	4.0
189.12764	3.4
189.16451	1.7
199.14868	9.0
203.14305	3.2
213.16380	5.5
215.18013	2.9
217.19550	5.9
231.17419	7.0
231.21101	8.7
241.19499	36.9
259.20572	92.5
260.20920	3.8
268.50385	1.6
277.18106	4.5
277.21680	21.1
323.22153	1.8
333.24277	7.5
351.21405	5.2
351.25281	45.3
352.25613	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01843	1.0
55.05497	2.9
56.96554	1.0
57.03435	1.3
60.42465	0.8
66.99505	0.6
67.05499	3.7
69.03425	1.0
69.07049	1.9
69.72234	1.5
69.72658	2.8
71.08598	1.2
77.00896	0.7
79.05475	2.6
81.03410	0.7
81.07053	5.2
83.04926	1.0
83.08603	1.0
91.05463	2.1
93.07054	3.4
94.88897	0.6
95.01903	0.7
95.08607	2.2
96.04486	0.9
97.06503	0.8
97.48438	0.6
98.21392	1.1
99.08080	0.8
105.07024	2.1
107.08591	1.9
109.02851	0.7
109.06498	1.1
109.10148	1.4
111.04423	0.8
111.11720	0.7
116.98603	0.9
119.04976	0.6
119.08562	1.7
121.10135	1.4
127.08673	1.0
128.98637	0.8
131.08572	0.9
133.06480	0.7
133.10118	1.6
135.11705	1.2
137.05984	8.2
146.99629	0.7
147.04353	0.8
147.11679	1.2
149.09598	0.6
149.13251	0.9
151.07663	0.6
151.11205	1.0
161.09531	0.9
175.14854	0.7
188.57310	0.7
215.11253	1.0
231.10907	1.4
231.17473	0.8
243.14316	0.7
253.12917	1.5
262.30011	0.7
263.60303	0.6
271.13937	1.7
277.18051	1.7
277.21637	1.4
319.09637	1.7
333.19632	1.5
351.21405	100.0
352.21667	2.2
355.41739	0.6
369.21094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19624	1.0
55.01860	1.9
57.79712	1.0
67.05502	3.5
69.03439	2.5
69.07067	29.5
69.58575	8.5
70.06602	1.2
79.05470	1.9
81.03428	5.5
81.07077	1.8
82.76325	1.1
83.04982	1.6
84.08153	1.6
85.02914	6.5
87.00798	1.3
91.05473	4.1
94.06562	4.8
95.04974	5.7
95.08620	1.3
97.02866	2.6
97.06532	1.6
103.05486	1.2
105.01833	2.7
105.07020	2.2
107.05000	1.5
109.02866	2.1
109.06543	1.7
110.06098	1.4
111.04456	2.6
112.07624	3.0
119.08591	1.4
121.06486	1.5
122.06022	19.7
123.04415	2.6
123.06807	1.8
123.11662	1.1
124.07623	2.6
127.03913	4.8
131.08517	1.4
135.04434	1.1
137.05997	1.3
140.07068	77.2
143.08553	1.3
145.04967	1.9
147.04402	3.7
150.05556	2.8
151.06311	5.2
152.07066	19.9
158.38354	1.2
158.59541	1.0
164.07036	2.3
176.07080	2.5
178.05016	22.8
178.08644	1.3
179.05762	3.3
180.06589	1.7
188.07095	3.8
190.08704	1.4
190.72150	1.1
192.10033	1.1
200.10834	2.7
200.12656	1.0
202.08603	2.2
218.08150	2.8
218.11751	4.3
220.09709	1.6
228.10201	14.1
229.08646	3.0
246.11263	96.6
247.11617	3.3
251.16106	1.0
256.09619	1.7
259.13321	3.0
273.12241	9.3
274.10724	31.3
275.11075	1.5
291.13391	100.0
292.13702	4.7
301.11755	7.2
302.10031	2.4
306.13336	3.8
319.12881	55.1
320.13269	2.7
333.14383	3.6
351.15506	92.1
352.15942	6.3
354.03555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21760	0.5
55.01864	1.5
69.03408	0.7
70.06586	3.7
71.58604	1.0
81.07066	1.3
83.06136	0.6
83.06628	0.6
84.08142	0.7
95.04980	0.7
108.04498	0.7
110.07166	7.0
119.04916	0.9
120.08074	0.8
123.04459	1.4
127.31638	0.5
130.06534	0.5
131.04883	0.6
139.03926	1.2
140.04326	0.5
162.05449	1.0
162.10234	1.1
175.08656	1.7
179.28195	0.5
182.08134	0.8
185.10767	0.9
189.10255	1.1
190.08727	0.8
199.08655	4.7
200.09431	11.2
201.10211	14.0
202.10776	0.8
206.10725	0.6
207.12592	0.6
212.09555	0.7
213.06697	0.8
213.10210	13.1
213.13786	0.6
214.07378	0.8
214.10971	6.8
215.08337	1.5
215.11794	24.2
216.12529	2.0
217.09605	2.7
218.08200	1.2
219.07758	0.6
219.11292	11.3
226.10948	2.8
227.08202	2.1
227.11786	1.8
228.08904	1.4
228.12576	4.0
229.13231	0.7
231.11331	3.3
232.11971	1.0
233.09224	0.9
233.12811	0.6
235.11914	4.7
241.09734	5.6
241.13336	6.5
242.06860	0.8
242.10477	14.9
243.07738	0.8
243.11293	3.4
245.09218	2.6
246.07552	1.4
254.10406	1.1
255.07756	1.7
256.12021	4.6
259.10760	5.2
260.07697	0.9
260.11603	5.1
261.12482	1.4
269.09329	2.3
269.12872	5.9
270.13654	1.2
272.11560	1.2
273.08746	1.6
274.07089	0.7
274.13171	0.9
277.11874	4.8
280.12100	0.7
282.10007	0.8
287.10403	1.6
287.13959	3.8
288.14612	0.8
289.15472	1.2
297.08707	1.9
297.12234	8.4
300.11038	4.2
315.09753	7.3
315.13440	21.2
315.18500	1.0
316.13824	1.9
333.10800	16.0
333.14526	23.0
333.19217	2.5
334.11298	0.9
334.14951	1.3
351.11771	11.3
351.15564	100.0
351.20169	10.1
352.12152	1.0
352.15900	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	351.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92736	0.8
53.03931	1.3
62.20217	0.9
64.78746	0.8
65.80585	1.0
67.05495	3.5
68.05031	2.0
69.03413	1.4
69.06721	1.7
69.07066	21.4
70.06586	1.1
70.94357	1.4
76.04385	0.8
77.68229	1.1
79.05471	1.7
79.56425	0.9
80.05007	2.4
80.05442	0.9
80.38888	0.9
84.08129	1.0
88.47675	0.9
91.05499	1.2
93.28094	0.9
94.06571	27.6
94.74828	0.9
95.04951	3.9
95.08617	1.0
97.06548	1.7
98.06009	1.2
105.39716	1.0
107.80665	1.2
110.06052	6.4
112.07604	3.9
119.08662	1.3
122.06028	76.4
123.04427	3.8
123.06849	11.7
124.07596	4.5
138.05524	1.7
140.07065	100.0
141.07423	1.4
150.05516	1.6
151.05042	1.6
151.06284	31.9
152.07065	49.2
153.07445	1.2
161.78897	1.0
162.05542	1.1
170.08133	3.3
172.07579	1.3
176.06911	1.3
178.04967	9.6
179.05765	15.0
180.06563	3.8
182.08134	5.5
182.60689	1.0
188.07085	1.7
189.07761	1.1
190.08644	1.0
200.06960	1.2
200.10721	1.3
202.08757	2.0
204.06454	1.7
211.08435	3.3
214.08479	1.3
218.11787	2.4
220.09518	1.0
221.79269	0.9
228.10173	8.8
246.11261	53.2
247.11755	1.4
256.09732	2.6
273.12344	17.0
274.10703	23.6
275.11072	1.4
291.13391	82.0
292.13675	4.3
301.11853	19.0
302.10211	3.1
306.13333	2.0
319.12885	68.6
320.13251	2.9
333.14447	4.3
339.58289	1.2
351.15512	59.9
352.15717	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	351.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05555	1.1
56.96612	0.7
61.08472	0.7
65.63828	0.7
66.12286	0.8
67.05567	1.2
69.03498	2.7
69.07101	1.7
69.78570	5.3
70.06689	0.7
79.05556	1.1
81.03484	1.6
81.06696	0.8
81.07133	2.8
83.05029	1.1
84.08190	1.0
85.06583	0.8
89.91749	0.7
91.05532	1.8
93.07132	2.3
95.05026	1.4
95.08698	1.7
105.07115	2.4
107.04996	0.8
107.08670	2.0
109.02972	0.7
109.06592	1.0
109.10236	1.7
111.08124	0.9
119.08649	1.8
121.10206	1.2
123.11752	0.9
127.08754	1.6
131.08632	0.9
133.06558	1.0
133.10197	0.9
137.06038	0.8
137.09714	1.1
137.86728	0.7
145.10202	1.1
147.04454	1.3
152.38611	0.8
159.08102	1.2
161.06000	1.4
161.09718	1.6
163.11264	1.3
189.07092	2.1
189.09259	1.3
190.07877	2.6
191.08607	2.4
199.07524	0.9
202.07764	8.7
203.08575	4.8
205.06488	4.2
206.07295	1.3
213.07153	0.9
215.08752	3.6
217.06465	1.0
218.07376	2.8
219.08080	10.1
220.08818	4.2
222.06758	0.9
229.06729	0.8
230.07260	8.5
231.08067	13.3
232.08778	3.9
233.05945	5.0
233.09685	2.0
234.06801	1.6
237.09116	1.2
242.07268	1.1
243.08150	1.1
245.06021	2.4
245.09660	2.3
246.06767	5.9
246.12575	1.0
247.07570	12.3
248.08292	11.4
249.09033	2.8
250.06328	1.0
257.06128	1.2
258.06744	5.2
259.07489	7.5
260.08362	4.4
261.05475	5.7
261.09039	2.6
262.06277	2.1
262.09799	1.6
263.07425	0.9
263.10498	3.6
265.08731	2.2
272.08359	0.9
273.05902	1.4
273.09091	18.4
274.06332	2.9
274.09479	0.8
275.07010	7.4
276.07797	19.2
277.08499	6.5
286.06229	1.4
287.07101	2.5
288.07883	1.1
288.17178	0.9
289.05060	2.9
289.08615	8.6
290.06134	1.5
290.09344	13.6
291.10086	15.1
293.07996	4.0
301.08606	11.6
303.06573	1.1
304.07312	16.3
305.08035	9.5
308.10489	0.8
318.08948	1.9
319.09641	100.0
320.10422	16.3
320.14166	1.3
321.07535	1.1
321.11053	1.0
323.12851	1.4
336.09811	3.4
351.12225	28.7
351.16473	1.5
352.12726	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09010	0.7
55.05611	1.2
59.91305	0.6
67.05313	0.7
67.05643	1.7
69.03563	1.6
69.07185	1.4
70.27037	3.4
79.05618	1.6
81.03545	1.2
81.07199	1.5
83.04690	0.9
83.05126	1.6
91.05624	1.6
93.07243	2.3
95.05106	1.2
95.08760	1.6
97.03095	0.7
97.06669	0.8
98.97768	0.9
101.42659	0.9
105.07242	3.3
107.05102	1.1
107.08710	1.5
109.10317	1.7
115.05580	0.7
117.73026	0.7
119.08013	0.7
119.08744	2.3
121.06631	1.4
121.10302	1.6
123.04567	1.3
127.08792	0.9
131.05115	1.8
133.10275	1.8
135.08258	1.0
137.06143	0.9
139.04131	0.9
144.06322	0.7
145.10266	1.5
147.04489	1.0
147.08272	0.9
147.11836	1.1
149.09804	1.0
153.07173	0.7
155.08749	0.9
161.09763	1.6
163.04123	0.8
173.01480	0.8
179.07161	0.8
179.08606	0.7
183.35872	0.7
189.07181	1.7
190.07999	2.5
191.08693	1.4
194.07516	0.8
202.07759	7.8
202.82159	0.8
203.08517	4.5
205.06653	2.8
215.08769	2.3
217.06592	1.4
218.07463	3.4
219.08095	7.3
220.08821	3.7
229.06657	1.1
230.07285	6.9
231.08057	12.2
231.10147	0.9
232.08923	2.9
233.06175	2.7
233.09698	1.2
234.06898	1.4
237.09406	1.3
243.08133	1.7
245.06149	1.5
245.09630	1.4
246.06836	4.4
247.07524	10.4
248.08272	8.1
249.09190	1.7
258.06769	4.5
259.07520	9.5
260.08240	4.6
261.05539	4.7
261.09183	2.6
262.06384	2.6
262.09903	2.0
263.10791	2.9
265.08752	1.9
273.09085	15.4
274.06189	3.7
274.09302	0.8
275.07001	6.1
276.07809	17.1
277.08609	4.9
287.06989	2.0
288.17160	1.0
289.05002	2.5
289.08670	7.5
290.06076	1.7
290.09329	12.5
291.10095	15.0
293.08142	3.0
301.08597	10.0
303.06625	1.5
304.07327	12.7
305.08020	7.4
318.08923	2.7
319.09641	100.0
320.10324	16.6
321.07568	1.2
323.12802	1.8
336.09851	2.8
337.03033	0.8
351.08792	1.1
351.12180	30.1
352.12555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64375	0.7
50.93985	0.8
55.01871	6.4
55.35138	0.8
57.60418	0.8
62.03140	0.7
65.03931	0.7
67.05490	1.0
69.03417	0.8
70.06589	4.9
70.08843	2.4
70.09249	1.2
70.54977	0.7
70.87704	0.6
79.05488	0.8
81.03445	0.9
81.07035	2.3
82.05372	0.8
85.02902	0.9
102.57021	0.7
108.04453	2.0
110.07160	10.7
111.04418	1.0
120.08102	1.1
121.02867	1.4
122.96163	0.7
123.04424	1.7
126.05470	0.7
137.05913	0.7
139.03894	1.1
149.02350	2.9
159.05511	0.7
162.05431	0.8
162.10257	2.0
163.03920	2.2
168.06607	1.8
171.05592	1.2
171.09174	1.1
172.07640	1.4
175.08693	1.3
185.07133	1.9
185.10698	1.4
186.07874	0.9
187.08672	2.4
188.05710	1.1
189.06654	1.3
189.10194	1.3
190.08688	2.2
197.10866	1.2
199.08696	5.7
200.07188	1.7
200.09444	10.0
201.06628	2.2
201.10234	11.5
202.08723	0.8
202.10970	0.8
203.08229	1.7
204.06621	1.5
212.05801	1.4
212.09454	1.1
213.06578	2.9
213.10214	14.9
214.07385	3.4
214.10909	5.4
214.35519	0.8
215.08466	3.8
215.11780	21.9
216.12563	1.3
217.06070	2.0
217.09671	6.2
218.08183	3.6
219.07620	2.4
219.11249	10.7
226.10782	3.5
227.08109	7.9
227.11752	1.5
228.08778	1.1
228.12476	3.8
231.07648	2.2
231.11311	2.5
232.08446	2.9
233.09239	2.8
235.11862	6.9
237.06618	1.7
241.05969	2.0
241.09714	16.0
241.13295	4.4
242.06837	3.5
242.10489	12.7
242.13025	1.5
243.07712	2.1
243.11327	2.5
245.09261	7.9
246.07608	4.2
251.08167	1.6
253.09691	0.9
254.10545	1.0
255.07668	9.7
255.11223	1.6
256.11969	4.4
259.07437	1.6
259.10791	7.8
260.07861	3.5
260.11612	4.6
261.08691	2.2
261.12347	1.2
261.20538	0.7
264.08691	1.8
269.09235	10.4
269.12820	4.5
271.10788	2.3
273.08691	7.9
274.07037	2.0
277.11810	4.0
287.10260	12.2
287.13831	2.5
289.11749	1.9
291.09799	2.7
297.08701	9.5
297.12329	6.7
300.11090	2.8
305.11359	3.7
315.09717	35.4
315.13391	18.2
315.17490	1.3
333.10779	87.2
333.14487	22.3
333.19183	4.5
334.11121	4.2
334.14551	1.1
351.11755	73.5
351.15533	100.0
351.20279	16.9
352.12170	2.9
352.15875	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
65.03939	6.2
67.05508	31.9
69.03431	1.5
69.07053	2.0
71.58747	1.1
79.05499	0.9
80.05038	0.8
81.03423	1.4
81.05807	0.6
81.07064	1.3
82.06552	0.8
85.02907	0.9
88.87063	0.7
91.05482	1.4
92.04994	4.2
93.05792	0.9
93.07063	0.9
94.06561	4.0
95.04971	10.5
95.08615	1.1
96.05373	0.8
105.07062	1.2
107.08604	0.9
108.04456	1.8
109.06522	0.7
110.06042	2.5
119.04938	0.6
120.04488	1.5
121.05286	0.9
121.06541	0.8
121.10154	0.9
122.06041	8.6
123.11687	0.7
127.03926	0.7
138.05507	42.2
140.07079	9.4
145.06549	1.0
147.04391	2.0
150.05510	100.0
152.07063	0.8
165.09192	0.8
166.05000	22.7
171.49522	0.6
175.03938	1.0
176.03413	3.9
194.04524	2.3
199.29393	0.8
207.06412	1.1
226.08626	0.9
229.08714	1.4
244.09727	1.7
270.07660	0.9
272.09283	1.3
287.10153	0.8
289.11716	0.7
315.09695	6.1
333.10861	1.8
351.18387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2688
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
51.09651	2.1
53.03946	4.1
55.05512	16.7
56.05015	8.6
57.07083	4.1
58.02963	15.1
58.06578	6.7
59.04988	2.4
60.04512	5.3
65.03928	3.5
65.40601	2.0
67.05173	3.2
67.05502	46.9
69.07063	23.9
70.06586	28.6
70.64112	8.6
71.04976	3.6
71.08610	7.0
72.08136	5.9
79.05059	3.9
79.05485	49.8
80.05007	5.0
81.05772	3.2
81.07052	49.1
82.06578	21.5
83.04958	3.5
83.08609	8.1
84.04488	9.6
84.07690	4.2
84.08141	42.8
85.06525	3.2
88.11269	23.1
91.05474	37.2
92.05801	2.2
93.05775	2.1
93.07049	33.9
94.06568	53.7
95.04957	7.8
95.07359	6.6
95.08602	37.1
96.04437	2.6
96.08118	17.4
97.06525	3.8
97.10157	3.9
98.09692	2.8
105.07020	24.2
106.06554	8.5
107.04964	3.7
107.08585	29.0
108.08115	8.9
109.06494	4.2
109.08910	3.1
109.10142	13.1
110.09679	9.7
112.07620	11.1
114.09162	4.1
117.07019	12.7
119.08579	18.3
120.08115	6.1
121.10143	13.3
122.09625	5.4
123.08099	2.8
123.11674	3.4
124.07607	2.5
124.11223	23.9
131.08557	7.3
133.10173	8.9
134.09673	2.5
135.11665	8.3
136.11185	7.9
138.09155	2.9
140.10667	2.7
144.50636	2.7
145.10130	8.3
147.11665	7.3
147.12772	2.5
149.13260	6.3
150.12709	2.6
151.83371	2.6
152.10681	5.7
152.14169	2.5
153.11517	2.9
154.12265	3.3
157.09993	2.2
159.11708	4.9
159.74515	2.6
161.13319	2.2
162.12708	4.1
163.11134	2.7
163.14786	2.2
163.94528	2.3
164.14352	9.1
171.11760	2.4
175.14969	2.4
180.13841	8.9
185.13268	4.0
185.51775	2.4
206.15382	2.9
212.16434	35.0
218.93895	2.0
220.16934	6.4
226.43463	2.4
238.17986	5.0
240.15968	6.7
252.19595	32.9
264.19785	2.9
280.18994	4.3
291.23163	3.2
292.22708	15.7
300.19669	4.0
301.21606	3.2
318.20773	2.8
318.24384	3.0
325.56253	2.6
332.25800	14.0
350.26892	100.0
350.33371	11.7
351.27463	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01847	0.6
55.05515	5.4
57.03439	0.7
57.07057	1.7
63.52185	0.6
66.08638	0.6
67.05508	6.6
69.03409	0.6
69.07065	11.2
69.90850	1.8
69.91257	1.2
71.04984	1.2
71.08631	1.1
79.05480	4.7
81.07050	11.1
83.04984	0.9
83.08614	5.3
85.06536	1.3
91.05476	2.6
93.07038	6.2
95.04954	1.1
95.08605	9.1
97.06530	2.7
97.10187	0.9
105.07035	3.3
107.08607	7.4
109.06514	15.4
109.10123	3.6
111.08064	2.6
119.08562	4.2
121.06506	0.9
121.10139	5.0
123.08063	77.7
123.11708	2.3
124.08352	1.4
125.09644	1.0
131.08496	0.7
133.10115	3.7
135.08037	6.2
135.11690	2.0
136.34528	0.6
137.09621	4.3
145.10118	1.3
147.11673	2.0
149.09601	2.0
149.13257	2.1
159.11673	1.8
161.13274	1.6
167.14429	0.6
177.12717	0.7
179.14302	13.7
233.19002	1.5
275.20160	1.9
293.17776	1.1
293.21078	19.4
294.21603	0.8
331.26273	4.8
334.12299	0.7
349.27356	100.0
350.27649	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05498	2.5
57.07077	5.0
59.46085	0.4
67.05502	3.6
68.18285	0.5
69.07067	3.0
69.14495	0.4
69.29504	3.7
69.29922	1.7
71.08635	2.6
79.05482	3.8
81.06633	0.6
81.07059	5.6
81.99496	0.4
83.08596	1.1
85.06546	2.8
85.14320	0.4
91.05457	2.3
93.07056	2.8
95.04987	0.6
95.08595	4.7
97.06557	0.6
97.10163	0.5
98.21460	1.0
99.08101	1.8
105.07035	2.7
107.08578	3.0
109.06511	18.9
109.10142	1.7
112.57593	0.4
117.07032	0.4
119.08561	2.2
121.06528	0.4
121.10133	2.3
122.07294	2.2
123.08067	28.0
123.11696	1.1
131.08546	0.7
133.10124	1.4
135.08047	3.5
135.11662	0.8
137.09612	0.8
137.13245	0.6
139.11171	0.5
139.49512	0.5
145.10182	0.8
147.11688	0.6
149.09554	0.8
159.11621	0.8
161.13286	0.4
163.02484	0.5
165.12744	0.5
173.13287	0.5
175.14740	0.5
178.98018	0.5
179.14307	100.0
180.14662	2.5
193.15858	2.6
194.21281	0.4
257.19183	0.6
266.71030	0.6
277.50647	0.5
289.25192	0.7
293.21057	1.1
331.26303	4.0
341.63681	0.5
349.27365	70.0
350.27725	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05518	6.6
67.05501	6.9
69.07068	11.8
70.02370	7.2
70.25288	1.3
71.05003	2.8
76.89484	1.1
79.05488	6.1
81.07057	12.4
83.04967	1.3
83.08607	3.6
90.20187	1.3
91.05460	3.1
92.35681	1.2
93.07050	7.0
93.82926	1.3
95.08603	10.0
97.06525	3.0
105.07018	5.0
107.08568	6.2
109.06525	12.8
109.10128	3.4
118.68468	1.2
119.08567	4.1
121.10149	4.7
123.08067	79.9
123.11674	1.5
131.08578	2.0
133.10138	4.5
135.08025	5.0
135.11655	3.0
136.08778	1.3
137.09630	6.7
145.10107	2.9
147.11710	2.1
149.09662	1.6
149.13290	3.9
159.11717	1.4
159.63069	1.2
163.14726	1.3
165.12769	1.4
179.14328	3.9
231.16013	1.7
237.20163	1.4
275.19995	2.4
289.25342	1.6
293.21078	19.8
331.26260	4.3
349.27368	100.0
350.27649	6.0
356.93976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
54.53443	6.3
55.05494	23.0
67.05510	43.3
69.07059	28.2
71.04987	7.0
76.73461	6.3
79.05495	47.1
81.07051	60.3
91.05479	59.3
93.07046	76.3
95.04960	23.2
95.08613	47.3
97.06542	11.3
105.07022	98.6
107.08578	64.7
109.06552	13.3
109.10177	38.7
117.07046	19.1
119.08578	100.0
121.06480	7.8
121.10152	80.8
123.08097	14.3
123.11757	9.7
128.06183	13.0
128.28065	6.1
129.06998	14.5
130.07756	7.3
131.08572	52.0
133.10118	45.8
135.08080	17.8
135.11679	22.5
140.28755	6.1
142.07799	18.0
143.08588	35.6
145.10130	53.6
147.08006	8.8
147.11684	22.2
149.09644	13.8
154.07909	7.8
155.08597	9.3
156.09352	10.0
157.10091	37.8
159.11685	27.2
161.09644	16.3
161.13254	9.2
167.08510	9.2
169.10114	24.8
171.11700	30.8
173.13277	22.1
179.08537	14.9
179.14388	10.1
181.10170	16.3
183.11723	19.6
185.13243	15.1
186.90538	6.4
187.14833	15.0
194.10921	8.9
195.11705	19.4
197.13234	22.8
199.14873	10.4
209.13281	25.0
223.14633	9.5
227.14394	10.5
265.19501	8.7
331.24542	11.1
349.25000	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	24.0
67.05511	46.2
69.07053	25.0
71.04989	6.3
71.49133	6.0
71.60134	7.1
72.31532	5.7
78.51874	6.4
79.05489	35.4
81.03401	7.7
81.07055	49.6
83.08588	8.5
91.05477	60.1
93.07041	81.7
93.07905	6.0
95.04982	33.3
95.08590	51.8
97.06551	7.1
105.07022	100.0
107.08575	43.2
109.06554	12.0
109.10155	35.9
111.82183	5.7
117.06986	18.1
119.08569	86.2
121.10133	66.0
123.08042	16.3
123.11631	6.7
128.06212	13.8
129.06996	14.5
130.07797	6.9
131.08574	46.1
133.10138	46.2
135.08052	16.5
135.11678	16.6
141.06934	8.2
142.07747	24.8
143.08565	24.5
144.09323	7.6
145.10092	50.3
146.07173	6.4
147.11710	21.9
147.65712	6.4
149.09644	7.2
155.08588	9.6
156.09344	10.2
157.10139	33.3
159.11720	24.3
161.09579	13.6
168.09396	9.5
169.10121	18.8
170.10837	7.3
171.11685	23.4
173.13277	19.3
175.14767	8.8
179.08475	9.9
179.14264	16.0
183.11679	15.0
185.13277	11.3
187.14847	15.5
194.10948	7.8
195.11670	18.0
197.13274	13.8
198.36877	5.2
199.14818	13.9
208.12474	6.0
209.13240	20.7
211.14822	5.8
213.16359	7.4
239.17828	10.5
253.19426	8.3
265.19553	6.9
349.24814	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.01873	21.6
55.05511	43.0
57.03437	21.1
65.03933	2.8
67.05505	65.4
69.03428	3.1
69.07068	37.9
70.72260	3.1
70.72611	5.2
71.04983	5.5
71.45065	2.2
74.53146	2.3
79.05492	100.0
81.03409	5.8
81.06580	4.0
81.07054	63.7
83.04973	8.3
83.08633	14.4
91.05480	61.9
93.07040	62.9
95.01271	3.9
95.04958	15.4
95.08604	32.2
97.01556	2.8
97.06538	24.2
97.10172	17.0
103.05492	3.4
105.07030	78.3
107.04955	27.7
107.08593	85.7
109.06506	7.3
109.10156	19.0
111.08047	4.4
117.07023	26.9
119.08580	41.7
121.06458	6.0
121.10134	19.1
123.08087	6.9
123.11688	3.7
125.09628	13.6
128.06158	3.3
129.07007	4.7
129.65456	2.4
131.08553	34.2
133.10117	41.6
135.08041	5.3
135.11707	12.0
137.09648	3.9
143.08560	9.4
145.10121	59.8
147.07922	2.5
147.11687	33.9
147.83807	2.4
149.09615	32.7
149.13290	6.3
151.11212	2.8
155.08510	5.5
157.10107	5.7
159.11671	20.8
159.23700	2.4
161.09576	3.0
161.13260	8.1
163.11188	9.7
169.10127	3.6
171.11676	10.2
173.11823	3.7
173.13272	9.3
177.12788	6.1
179.14255	3.6
183.11713	7.0
187.11215	5.1
187.14833	3.9
189.11195	9.9
197.13303	6.9
201.12778	3.6
210.03679	2.7
229.19490	6.0
239.18021	11.5
257.18982	37.4
275.20047	68.4
276.20496	2.8
327.66296	2.8
331.22656	5.0
344.54657	3.1
349.19815	3.9
349.23758	46.4
350.23987	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01870	12.8
55.05513	40.4
57.03436	25.3
57.07075	6.0
65.03953	3.8
67.05502	100.0
68.05849	2.9
69.03455	3.3
69.07063	26.9
69.61139	18.5
71.04975	5.7
79.05492	85.8
81.03409	3.2
81.07056	75.1
81.56770	2.3
83.04977	14.2
83.08616	12.6
85.06532	4.6
91.05484	86.2
92.05839	3.8
93.07043	69.0
95.04964	13.8
95.08048	4.8
95.08610	50.0
97.06528	13.8
97.10182	5.4
98.21541	4.8
103.05477	2.9
105.07025	84.9
107.04951	14.1
107.08592	46.7
109.06523	10.4
109.10150	26.0
115.05430	5.2
116.93105	2.4
117.07025	32.1
119.08577	66.7
121.06490	8.6
121.10138	28.7
123.08092	11.3
123.11710	5.9
125.09655	6.6
127.59236	2.7
129.07021	6.1
131.08566	36.7
133.10129	58.8
135.08058	9.7
135.11713	11.0
137.09612	10.1
141.06891	2.5
143.08655	3.7
145.10098	29.3
147.10658	3.4
147.11702	35.5
148.12105	2.6
149.09622	19.7
149.13249	5.0
155.08559	3.5
157.10130	4.8
159.11688	25.7
161.13245	12.1
163.11203	7.4
163.14815	3.3
167.93631	2.6
169.10075	4.2
169.51030	2.8
171.11757	6.4
173.13268	13.8
175.11139	2.9
177.12712	5.9
179.14311	5.2
183.11661	3.6
185.13246	3.1
187.11113	4.5
187.14832	4.3
197.13286	6.9
219.13893	3.0
229.19664	8.6
229.86900	2.4
233.15489	3.0
234.06674	2.5
239.18057	5.7
247.20631	10.5
257.18936	12.7
275.20062	81.5
276.20602	4.9
349.23709	45.5
349.27567	5.0
350.24109	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.1
55.01878	8.8
55.05517	15.0
57.03436	13.7
59.53490	1.5
65.03931	3.2
67.05505	49.7
68.99784	2.0
69.03419	2.1
69.06719	2.9
69.07068	36.2
70.06577	2.6
70.83989	3.2
70.84324	3.2
71.05010	2.2
75.48849	1.5
79.05054	2.9
79.05493	36.0
81.03417	15.7
81.07059	53.5
82.07388	2.1
83.04979	7.1
83.08618	7.2
85.06542	2.4
91.05479	55.1
93.07048	36.0
95.01321	9.6
95.04968	15.7
95.08053	2.8
95.08611	34.8
97.02898	1.7
97.06535	8.9
97.10181	4.6
105.07030	50.2
106.06547	3.1
107.04958	24.9
107.08598	19.4
109.06499	4.7
109.10171	8.5
111.08096	3.1
111.08409	2.1
111.09204	28.4
115.84839	1.7
117.07016	15.5
119.08582	27.4
121.06516	6.1
121.10150	10.4
123.04366	3.4
123.08087	6.5
123.09258	1.8
123.11684	2.3
125.09642	2.7
128.06226	1.7
129.07014	6.2
131.08572	21.8
133.03464	2.3
133.10133	36.2
135.08063	4.3
135.11699	8.7
137.07100	5.3
137.09624	3.2
141.07001	11.3
143.08594	4.3
145.06473	4.4
145.10123	16.7
147.11674	17.2
149.09602	5.5
149.13290	7.0
151.04497	2.2
151.11198	2.3
154.07765	20.8
155.08557	2.7
159.11697	13.4
160.63910	1.8
161.09686	2.1
161.13251	7.0
163.11180	3.7
165.09151	2.5
166.09732	3.4
169.10123	21.4
171.11739	3.1
173.13257	3.9
177.08897	1.6
177.12842	8.0
179.14320	13.9
183.11818	2.9
187.11177	6.1
197.09615	71.1
205.12239	2.6
241.14461	1.8
247.20488	2.7
257.18958	5.8
275.20053	30.3
301.20001	3.0
349.23831	18.7
350.18631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18811	3.3
53.03933	8.5
55.01875	19.5
55.05508	45.4
57.03446	27.9
65.03943	4.5
66.87646	3.5
67.05172	5.5
67.05506	79.8
69.07067	47.3
69.80709	20.2
69.81123	7.8
71.04978	6.5
79.05066	6.9
79.05493	100.0
81.03402	8.1
81.07058	96.9
83.04970	9.3
83.08617	15.0
91.05482	84.9
93.07041	79.3
95.04990	17.1
95.08611	54.1
97.06532	27.5
97.10174	12.5
98.20805	3.6
105.07031	87.2
107.04976	22.9
107.08599	77.9
109.06521	14.8
109.10180	22.5
114.12657	3.5
117.07046	29.2
119.08573	60.6
121.06539	6.4
121.10149	21.2
123.08055	7.0
123.11676	6.0
125.09602	12.5
129.06978	13.3
131.08569	45.2
133.10133	54.5
135.08067	6.5
135.11678	18.1
137.09610	7.2
141.06927	4.2
143.08568	10.7
145.10118	51.3
147.11703	35.1
149.09602	32.2
149.13326	3.8
151.11180	8.1
155.08521	6.2
157.10007	4.1
159.11700	32.1
161.13261	9.7
163.11203	10.2
171.11678	14.2
173.13239	14.8
177.12791	4.7
179.14336	6.7
189.11139	5.7
197.13237	6.5
229.19583	12.0
239.17953	11.1
247.20534	7.2
257.19058	40.2
275.20074	85.2
349.19730	6.5
349.23749	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01876	27.4
55.05512	44.6
57.03438	27.1
57.07067	3.3
60.37291	2.0
65.03944	4.5
67.05507	77.2
69.03446	3.2
69.07068	49.1
70.30273	4.6
70.30670	5.3
71.04979	5.6
75.43211	2.4
79.05493	100.0
80.05848	2.4
81.03413	7.9
81.07058	76.5
83.04973	11.6
83.08625	17.1
85.06540	5.6
91.05482	74.5
93.06478	3.7
93.07049	62.7
95.01324	3.3
95.04977	15.6
95.08615	38.3
97.06533	32.3
97.10179	18.2
105.07034	96.6
106.07368	2.4
107.04961	24.9
107.08590	85.8
109.06512	10.8
109.10168	22.5
111.08095	4.4
115.05501	3.0
117.06306	3.2
117.07030	26.6
119.08585	50.8
121.06481	6.1
121.10167	21.5
123.08065	7.1
123.11676	4.0
125.09654	18.1
129.06985	8.8
131.08577	41.7
132.08981	3.1
133.10127	48.2
135.08051	7.0
135.11693	17.5
137.09624	6.0
141.06940	4.1
143.08563	8.0
145.06458	3.3
145.10123	63.4
147.08112	2.4
147.11719	36.1
149.09621	27.2
149.13277	9.0
151.11223	4.8
155.08452	3.0
157.10130	5.9
159.11688	31.5
161.13231	11.4
163.11154	17.9
169.10110	5.3
171.11650	15.0
173.11821	3.9
173.13243	12.6
175.11191	2.5
175.85753	2.5
177.12784	7.5
179.14366	6.2
183.11710	8.0
185.13239	3.0
187.11134	6.8
187.14856	3.5
189.11238	9.7
190.04573	3.3
197.13217	5.1
201.12680	2.5
208.43639	2.4
215.14529	2.3
229.19485	9.4
239.17981	13.4
247.20593	6.8
257.19016	43.0
275.20078	76.7
276.20264	3.1
331.22803	3.5
349.19815	13.4
349.23688	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.7
53.03938	6.8
55.01869	12.0
55.05509	47.0
56.96569	6.5
57.03436	22.0
57.07062	3.9
63.83785	1.4
65.03937	5.5
67.05502	85.9
69.03429	3.5
69.07068	33.2
70.84646	2.4
71.05005	6.9
74.49838	1.2
77.03918	1.6
79.05490	100.0
80.05817	1.9
81.03429	10.2
81.07055	84.1
82.07382	1.3
83.04981	18.0
83.08614	12.4
85.06539	4.6
91.05477	79.6
93.03424	1.4
93.07042	65.0
93.82707	1.3
94.07373	1.8
95.01326	5.2
95.04971	18.6
95.08604	43.4
97.06548	13.0
97.10172	9.4
99.08082	1.8
103.05473	3.8
105.04513	2.6
105.07029	81.8
107.04958	23.8
107.08591	46.3
108.08966	1.5
109.06509	16.1
109.10149	25.7
111.08089	4.4
115.05469	3.5
117.07024	25.9
119.08578	55.8
121.06493	6.5
121.10131	23.4
123.08084	6.7
123.11698	6.2
125.09604	6.8
128.06238	1.5
128.98579	1.8
129.07011	5.3
130.07790	2.3
131.08560	32.4
131.09512	1.9
133.06496	2.3
133.09097	2.9
133.10123	53.1
135.08066	11.2
135.11673	12.4
137.09647	5.4
141.06975	3.1
143.08580	6.4
145.06503	3.7
145.10118	25.9
146.99660	3.0
147.08096	2.4
147.11699	26.7
149.01114	1.2
149.09607	30.7
149.10739	2.1
149.13255	7.0
151.11177	2.4
155.08554	4.2
157.10152	5.3
159.08046	1.7
159.11678	21.8
161.09650	1.5
161.13263	9.8
163.11215	4.9
163.14818	3.3
165.12836	2.0
167.10690	1.2
169.10182	3.6
171.11687	7.4
173.11880	2.3
173.13266	13.4
175.11145	1.9
175.14857	1.9
177.12769	4.2
179.14229	6.2
183.11691	4.2
185.13283	1.8
187.11157	4.4
187.14853	3.7
189.11244	3.1
189.12752	1.9
191.14363	1.3
193.12256	1.3
197.13272	4.3
201.12778	1.7
205.12236	2.2
209.15459	1.4
211.14856	1.7
213.16454	1.7
215.17953	1.4
219.13777	1.4
229.19556	5.3
239.17992	4.4
241.14455	1.5
243.09015	2.5
247.20633	6.3
257.19058	11.3
275.20056	62.1
276.20352	3.4
331.15643	9.7
339.23541	1.3
349.16763	20.0
349.23654	34.9
350.17130	1.8
350.24149	2.1
367.17941	1.9
372.18442	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	21.6
55.01876	21.3
55.05510	33.5
56.96555	4.1
57.03438	19.5
57.16794	3.0
67.05505	88.3
69.03427	3.9
69.07067	69.6
69.41086	17.7
69.41500	10.5
71.04977	4.6
79.05057	5.9
79.05495	77.1
81.03425	31.7
81.07058	89.6
83.04961	14.7
83.08617	12.1
85.06535	3.2
86.02847	3.2
91.05485	90.7
93.07046	65.9
95.01342	22.7
95.04972	26.8
95.08606	67.8
95.09229	4.2
97.06536	29.6
97.10181	3.6
98.21502	6.2
103.05462	4.0
105.04515	3.1
105.07029	100.0
107.04951	43.9
107.08588	28.3
108.90478	3.1
109.06521	8.1
109.10152	18.2
111.08058	7.8
112.99600	3.1
115.05448	3.4
117.07034	32.1
119.08582	52.2
121.06486	7.6
121.10159	15.9
123.04434	2.8
123.08057	11.3
129.07031	6.0
130.07764	4.2
131.08577	33.9
133.10121	63.7
135.08101	5.8
135.11668	17.3
139.00410	3.1
141.06938	3.6
143.08537	4.0
145.06491	7.6
145.10141	28.6
147.11658	29.3
149.09639	10.8
149.13255	12.5
151.11304	3.3
157.10112	6.6
159.11719	28.6
161.13242	8.6
163.11194	9.6
165.09135	4.5
169.10098	4.4
171.11716	5.4
173.13268	5.7
177.12711	8.8
179.14284	21.1
183.11748	7.1
187.11156	4.2
219.13843	3.4
219.62132	3.4
239.18019	5.6
241.14412	4.2
247.20638	7.3
257.18997	13.6
275.20087	53.8
276.20395	5.8
298.26346	3.8
305.66284	3.1
331.15768	6.5
349.16898	7.0
349.23755	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.1
55.01877	17.1
55.05264	3.8
55.05512	50.4
57.03440	17.8
57.07067	2.5
65.03935	4.5
67.05170	4.1
67.05508	62.6
69.03439	3.9
69.07072	28.4
69.84246	14.4
71.04995	4.3
76.66308	2.5
79.05492	100.0
81.03414	11.4
81.06583	3.8
81.07059	59.4
83.04977	23.0
83.08621	17.3
91.05476	56.7
93.07040	60.7
93.07629	3.4
95.01317	4.3
95.04969	16.1
95.08607	38.8
97.06533	19.8
97.10174	14.9
99.51703	2.6
105.07036	55.5
107.04955	31.6
107.08586	51.6
109.06534	7.9
109.10159	20.6
111.08083	4.4
115.11583	2.1
116.06209	3.1
117.07011	22.5
119.08583	35.8
121.06521	6.9
121.10147	21.9
123.08066	6.7
123.11745	3.0
125.09629	14.5
129.06998	7.4
131.08565	25.1
133.10124	40.0
135.08076	8.8
135.11720	12.9
138.12825	3.1
141.07045	2.3
143.08563	5.0
145.10130	17.2
147.08025	3.8
147.11679	16.8
149.09621	40.8
149.13281	3.2
152.10571	2.5
153.09012	2.9
153.12689	2.9
155.08479	2.2
157.10051	2.6
159.11696	14.8
161.13162	4.7
161.18752	2.5
163.11198	6.3
163.14880	4.4
169.10190	3.5
171.11716	5.6
172.22595	2.4
173.11824	3.1
173.13268	7.2
177.12773	4.0
179.14330	6.1
187.11197	3.9
189.11201	5.3
191.14284	4.8
205.12186	3.9
209.15491	3.0
223.13345	3.1
229.19568	3.7
247.20499	4.5
257.19073	8.5
273.18417	8.5
275.20062	44.6
290.21216	4.4
291.19604	10.0
308.22186	5.6
349.19806	6.1
349.23682	24.9
350.23309	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	349.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
55.05494	3.7
56.96538	2.1
66.24270	0.8
67.05505	4.3
69.07041	3.6
71.20489	1.5
79.05502	5.4
79.15704	0.8
79.56084	0.8
81.07061	4.0
83.08610	1.0
88.22135	0.9
91.05484	6.1
93.07014	2.9
95.04945	1.1
95.08588	3.7
96.23457	0.8
97.06516	0.9
97.10152	1.1
105.07024	5.9
107.04917	1.3
107.08561	3.3
109.06482	1.3
109.10126	1.5
110.06037	0.7
117.06998	1.6
119.08553	3.1
119.61920	0.8
121.10166	1.5
123.08078	1.5
131.08490	1.4
133.10147	4.0
145.10120	2.1
147.11696	2.0
149.13152	0.8
159.11647	1.4
173.13187	1.4
179.14256	1.7
213.07916	1.1
231.08951	2.6
243.09023	1.0
275.19897	1.9
288.74149	0.9
289.21680	1.3
290.22021	0.8
349.23434	100.0
350.23706	7.0
367.17773	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
54.05766	2.7
55.01863	9.9
55.05309	3.2
55.05513	38.9
56.96566	7.3
57.03440	29.7
65.03923	4.9
67.05506	89.6
69.07074	27.8
70.65421	7.6
71.04993	6.2
79.05494	100.0
80.08891	2.8
81.03421	7.6
81.07061	73.9
83.04976	11.8
83.08615	11.3
91.05480	81.1
91.06013	6.5
93.07044	71.9
95.04967	17.5
95.08604	49.1
97.06519	9.7
97.10166	8.6
99.08110	3.2
105.07027	82.1
105.07684	6.1
106.07398	3.4
107.04945	22.9
107.08597	49.9
109.06525	11.6
109.10159	22.7
111.08081	5.5
117.07005	26.5
119.08573	59.6
121.06487	9.1
121.10149	31.4
123.08083	6.6
123.11697	8.7
125.09605	7.1
129.07077	6.6
131.08540	34.2
133.06444	2.7
133.10139	54.9
135.08054	7.9
135.11688	12.8
138.91563	2.7
143.08516	5.4
145.10121	30.7
147.11694	33.2
148.50676	2.9
149.09612	26.1
149.13269	5.2
155.08595	4.8
157.10121	5.5
159.11700	29.7
161.13260	8.4
163.11198	6.8
169.10095	7.7
171.11671	5.5
171.64879	3.3
173.13206	14.7
174.05460	3.4
175.11165	4.8
175.14839	3.2
179.14204	4.1
183.11774	3.3
185.13281	5.3
187.11142	6.0
187.14830	4.2
189.11212	5.4
195.09920	10.9
197.13165	3.5
219.17451	3.2
225.10861	4.0
229.19559	4.9
239.17955	6.5
247.20465	6.3
251.12500	6.6
257.19052	23.2
275.20081	63.1
276.20386	4.2
331.22595	4.7
349.16135	5.6
349.19827	84.0
349.23788	51.0
350.20248	5.4
366.21106	2.9
367.17981	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
57.03433	1.4
67.05495	4.4
69.07063	2.6
69.34661	1.3
79.05485	3.0
81.07037	4.7
81.71254	1.4
89.06066	1.7
91.05500	3.2
93.07034	3.6
95.08602	3.0
105.07037	3.4
107.08607	2.4
109.06510	1.9
119.08595	1.8
123.08067	5.5
135.27599	1.6
159.88914	1.6
179.10703	2.5
179.14342	6.1
210.01930	1.7
286.13672	1.7
349.23532	100.0
349.27271	6.9
350.23898	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	349.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.9
67.05492	1.6
69.07055	1.3
70.56779	1.4
70.57181	1.7
79.05524	1.0
81.07024	0.9
83.77289	0.7
88.11256	1.5
90.76826	0.8
91.05480	1.0
105.07036	1.0
107.04909	1.9
112.68702	0.7
119.08545	0.9
133.10117	1.5
138.33519	0.7
161.20686	0.7
162.22450	0.9
163.11136	0.8
171.11696	0.8
214.54231	0.9
235.13092	1.4
236.16367	1.3
236.79231	0.8
237.16786	1.5
249.14565	1.2
293.22922	1.4
326.20541	0.8
349.23486	100.0
350.23804	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	349.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
67.05505	5.2
69.07056	3.3
69.99577	2.4
69.99995	3.8
79.05473	3.8
79.96620	0.8
81.07043	4.1
83.08624	1.0
87.44003	0.9
91.05490	2.6
93.07034	2.3
95.08603	3.7
105.07030	1.9
107.08589	1.2
109.06544	2.3
109.10129	1.3
110.06039	1.1
117.31291	1.0
119.08543	1.5
121.10124	1.2
123.08038	3.2
133.10139	1.8
141.70667	0.8
143.08627	1.2
145.10049	1.1
178.21844	0.9
179.14320	2.9
249.14684	1.3
275.20114	2.2
305.32440	1.0
349.23486	100.0
349.27164	4.6
350.23645	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79501	0.9
67.05499	1.9
69.07047	1.7
69.11947	0.9
69.73476	1.8
69.73886	4.6
74.49312	1.0
79.05470	1.7
81.07053	1.7
91.05477	1.0
93.07030	2.0
95.08580	1.4
98.20847	2.0
105.07050	1.1
107.08602	1.4
179.14307	1.8
183.03667	1.0
235.13139	1.9
349.23508	100.0
350.23743	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	349.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
54.59770	0.7
55.01873	3.5
55.05510	8.3
56.53728	0.7
56.96552	1.1
57.03435	4.0
57.07083	0.9
59.39841	0.6
65.03922	1.1
67.05180	0.9
67.05506	11.5
69.03407	0.8
69.07071	5.8
69.87781	4.1
77.12553	0.7
79.05491	16.3
80.52988	0.7
81.03403	2.2
81.07054	13.2
83.04965	2.1
83.08611	2.2
85.06525	1.2
86.67428	0.8
91.05478	13.8
91.06018	1.3
93.07033	10.5
93.90096	0.7
95.04953	3.1
95.08601	9.7
97.06541	3.1
97.10171	1.8
105.07029	14.8
107.04955	4.5
107.08591	10.5
109.06509	2.5
109.10168	4.7
111.08067	1.1
117.06997	5.4
117.68293	0.6
119.08573	9.8
121.06470	1.1
121.10205	3.4
123.08066	2.0
123.11715	0.9
125.09639	1.8
129.07011	1.4
130.07790	1.1
131.08560	7.5
133.06509	1.0
133.10104	7.7
135.08044	1.6
135.11708	2.1
141.07016	1.0
143.08556	2.5
145.10114	10.1
147.11687	5.9
149.09610	3.7
149.13269	0.9
151.11124	0.9
155.08469	0.8
157.10141	1.4
159.08093	0.8
159.11649	6.4
161.13223	1.9
163.11221	1.9
169.10300	0.8
171.11708	1.9
173.13200	3.6
175.11166	1.0
177.12831	1.3
183.11742	1.2
185.13286	1.1
187.14822	1.0
189.11180	1.4
197.13202	1.1
199.41994	0.6
219.17493	1.3
223.49426	0.7
229.19627	1.0
239.17995	2.0
247.20561	0.9
257.19031	7.1
261.14624	5.0
275.20059	12.1
324.99591	0.7
341.19891	0.7
349.19867	100.0
349.23740	11.4
350.20236	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	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.5
53.03922	4.5
54.53146	2.8
55.01871	5.4
55.05512	13.9
56.96562	100.0
57.03419	8.1
57.07061	2.5
59.09858	2.2
65.46386	2.5
67.05501	33.2
69.07064	15.1
70.49641	10.7
71.95246	10.1
73.22114	2.3
79.05484	29.1
81.07059	29.7
83.04989	4.2
83.08603	6.4
85.06510	2.7
91.05470	27.5
93.07030	24.4
95.04941	8.2
95.08604	16.1
96.35284	2.2
97.02827	2.8
97.06507	6.6
98.97573	3.0
105.07011	30.4
107.04967	7.2
107.08596	19.6
109.06503	6.0
109.10135	11.6
110.97600	3.6
115.05399	3.7
117.06996	8.4
119.08546	14.7
121.06471	7.1
121.10145	9.2
123.01192	3.4
123.08019	6.2
123.11693	3.2
128.98599	7.6
129.06996	3.8
131.08525	15.5
133.10114	12.3
135.08034	5.3
135.11639	3.6
137.02745	5.2
141.02200	5.9
145.10114	9.3
146.99678	14.6
147.11667	10.1
149.09615	3.6
155.03763	5.2
157.01703	4.5
157.10092	3.7
159.03317	3.5
159.11684	9.3
161.01190	4.9
161.13223	3.2
163.11192	5.3
165.00720	3.7
167.03767	4.6
169.01678	6.1
171.03349	8.0
173.04849	2.9
173.13237	6.2
177.12769	3.2
179.14420	3.3
185.04834	9.6
187.02713	3.3
189.04347	14.9
189.12669	3.0
197.04820	4.4
199.06416	12.5
203.05881	17.4
211.06378	8.7
213.07977	15.0
217.07430	21.7
221.06845	5.4
225.07884	5.4
227.09515	3.7
229.07472	7.8
231.07127	5.8
231.09030	14.8
236.09692	2.8
237.08038	5.2
239.09550	5.8
243.08997	9.8
245.10553	6.7
247.20555	2.9
249.07925	3.6
251.09547	9.2
255.09026	25.1
257.10635	4.2
257.19070	6.7
267.08997	49.7
269.10587	61.0
273.10040	27.0
275.20059	41.9
278.10587	5.6
279.09024	3.4
285.10092	64.4
286.10245	5.1
287.11652	19.9
290.10498	4.1
292.12070	9.3
297.10477	2.8
303.11044	9.7
308.11563	7.6
309.13797	3.0
331.15555	19.4
349.16684	49.1
349.23419	19.1
349.27307	4.6
367.17953	27.7
372.18494	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	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.5
53.03922	4.5
54.53146	2.8
55.01871	5.4
55.05512	13.9
56.96562	100.0
57.03419	8.1
57.07061	2.5
59.09858	2.2
65.46386	2.5
67.05501	33.2
69.07064	15.1
70.49641	10.7
71.95246	10.1
73.22114	2.3
79.05484	29.1
81.07059	29.7
83.04989	4.2
83.08603	6.4
85.06510	2.7
91.05470	27.5
93.07030	24.4
95.04941	8.2
95.08604	16.1
96.35284	2.2
97.02827	2.8
97.06507	6.6
98.97573	3.0
105.07011	30.4
107.04967	7.2
107.08596	19.6
109.06503	6.0
109.10135	11.6
110.97600	3.6
115.05399	3.7
117.06996	8.4
119.08546	14.7
121.06471	7.1
121.10145	9.2
123.01192	3.4
123.08019	6.2
123.11693	3.2
128.98599	7.6
129.06996	3.8
131.08525	15.5
133.10114	12.3
135.08034	5.3
135.11639	3.6
137.02745	5.2
141.02200	5.9
145.10114	9.3
146.99678	14.6
147.11667	10.1
149.09615	3.6
155.03763	5.2
157.01703	4.5
157.10092	3.7
159.03317	3.5
159.11684	9.3
161.01190	4.9
161.13223	3.2
163.11192	5.3
165.00720	3.7
167.03767	4.6
169.01678	6.1
171.03349	8.0
173.04849	2.9
173.13237	6.2
177.12769	3.2
179.14420	3.3
185.04834	9.6
187.02713	3.3
189.04347	14.9
189.12669	3.0
197.04820	4.4
199.06416	12.5
203.05881	17.4
211.06378	8.7
213.07977	15.0
217.07430	21.7
221.06845	5.4
225.07884	5.4
227.09515	3.7
229.07472	7.8
231.07127	5.8
231.09030	14.8
236.09692	2.8
237.08038	5.2
239.09550	5.8
243.08997	9.8
245.10553	6.7
247.20555	2.9
249.07925	3.6
251.09547	9.2
255.09026	25.1
257.10635	4.2
257.19070	6.7
267.08997	49.7
269.10587	61.0
273.10040	27.0
275.20059	41.9
278.10587	5.6
279.09024	3.4
285.10092	64.4
286.10245	5.1
287.11652	19.9
290.10498	4.1
292.12070	9.3
297.10477	2.8
303.11044	9.7
308.11563	7.6
309.13797	3.0
331.15555	19.4
349.16684	49.1
349.23419	19.1
349.27307	4.6
367.17953	27.7
372.18494	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	349.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.5
56.96564	44.6
67.05492	5.5
69.07054	3.7
70.06594	1.8
70.10184	6.5
71.95250	6.3
73.78759	1.3
74.97589	2.3
79.05508	6.7
81.07065	6.8
84.96014	2.6
88.07618	2.6
91.05467	5.2
92.98667	1.5
93.07047	3.8
95.04930	2.5
95.08604	5.3
98.97578	2.6
102.09197	1.5
105.07024	5.9
107.08598	5.3
109.01878	1.1
109.10179	1.3
110.97562	5.8
116.98623	2.8
117.07040	2.0
119.08586	3.5
121.10128	2.2
123.08081	1.8
128.98602	16.2
131.00121	1.5
131.08560	2.4
131.64545	1.7
133.10100	3.8
135.08008	1.5
135.11649	1.7
145.10110	1.7
146.99661	23.1
147.11665	2.0
148.00444	9.4
155.03842	1.4
159.11714	1.5
160.00433	4.3
161.01256	6.0
165.00722	3.4
166.01434	1.4
171.03310	5.0
173.01186	3.9
173.04881	2.0
175.02863	1.4
179.02373	2.0
183.03239	1.8
184.04045	1.8
185.01137	1.8
185.04831	4.2
186.02022	1.6
187.02745	2.0
189.02855	1.2
189.04305	6.8
191.05901	1.9
197.01231	5.3
197.04880	1.8
199.02725	1.4
199.06435	5.9
201.00726	2.9
201.04312	1.8
202.05153	2.2
203.02327	1.6
203.05777	7.9
204.03073	2.0
211.02814	1.6
211.06468	2.1
213.07994	4.5
215.02310	9.6
215.06050	2.4
217.07484	14.5
223.02809	2.0
225.08017	1.5
227.05922	2.9
227.09563	1.5
229.03712	1.8
229.07396	9.1
231.09085	5.3
239.05873	6.4
240.06641	3.5
241.07460	3.6
243.09070	4.0
244.06190	3.0
245.06946	3.6
245.10600	4.6
247.08470	4.3
254.04305	1.4
255.08867	1.8
257.06970	21.9
257.10074	1.6
257.10486	1.3
257.19083	1.7
258.07715	16.3
273.10260	2.0
275.08057	8.2
275.20123	5.3
276.08795	10.5
280.08664	2.4
281.09192	2.4
285.29910	3.1
286.30042	3.2
287.30450	4.3
290.06540	1.3
307.15836	3.1
313.14655	1.4
331.15808	22.3
348.33832	3.2
349.16873	100.0
349.23865	4.4
349.34018	19.4
350.17252	3.7
363.10645	1.4
367.17932	69.7
368.17941	3.0
372.18448	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	349.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.3
55.05507	7.3
56.05022	7.0
57.03442	11.4
58.04437	1.7
58.99588	12.5
65.27283	1.6
67.05508	3.7
69.03427	3.7
69.07053	3.1
70.06590	14.5
71.58943	2.4
72.08161	12.2
75.35506	1.7
76.02232	13.7
79.05493	13.1
81.07060	100.0
84.04508	86.0
84.04909	1.1
84.05033	2.7
85.01140	4.6
85.02908	5.1
86.00646	8.1
86.01203	1.5
86.99061	14.0
87.02698	52.9
88.04018	1.8
91.05487	3.9
92.71546	1.8
95.04984	2.3
95.08596	2.9
97.02896	2.1
97.06533	3.9
98.09682	3.7
99.08086	16.2
105.00095	14.9
105.07031	2.8
108.04485	3.2
116.98612	1.8
120.04477	7.3
122.02731	67.6
123.04405	2.5
124.07610	10.4
127.03830	2.4
130.05009	17.9
130.06845	2.7
132.01152	19.0
138.05507	4.3
140.07088	5.1
142.03209	6.9
143.11809	4.5
146.05997	2.7
147.04500	2.0
156.08363	5.8
157.06749	3.5
159.04745	18.6
162.05511	6.2
163.03923	2.9
164.07042	5.3
171.11276	2.4
172.04031	2.9
174.05524	8.5
174.09447	4.2
185.04182	4.8
188.03740	6.1
190.05005	17.4
191.08174	2.2
192.06543	7.1
197.12987	1.8
202.08975	96.1
203.07329	30.5
208.06099	9.4
210.11223	2.6
220.10091	14.5
224.10675	2.2
226.08618	3.1
228.64984	2.5
234.04245	2.7
239.11670	4.2
242.11610	2.1
244.09636	2.4
245.08250	2.2
267.11493	2.6
271.10901	2.3
285.12387	4.5
286.11203	5.9
289.11829	11.7
303.13446	7.8
313.11835	8.5
317.11264	2.2
328.33966	2.1
331.09085	3.4
331.12875	28.6
332.11487	4.4
349.09064	5.7
349.14044	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	349.1393
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.01852	0.8
56.30763	0.8
67.05511	0.9
69.07049	1.2
69.16635	0.7
70.06584	1.3
71.58472	1.1
79.05460	1.1
91.05475	1.6
93.06985	0.8
122.06001	1.4
123.04418	4.2
139.03894	4.5
140.07057	2.8
147.04451	1.6
151.03946	1.2
163.03937	1.8
164.07100	1.4
165.05426	1.1
167.05309	0.9
168.06715	0.8
171.09221	0.9
175.08647	3.3
180.06474	1.4
181.06804	0.9
182.08392	0.9
183.09210	1.4
187.08681	2.4
189.10199	1.1
196.09999	1.4
197.10709	1.9
199.08623	5.1
201.06763	0.9
201.10179	1.9
209.06345	1.3
210.07843	2.1
211.08614	3.5
211.12242	4.5
212.09485	1.2
213.10196	1.3
215.08228	4.4
215.11794	4.2
217.09731	20.0
224.09326	1.1
225.06534	1.5
225.10304	3.3
229.09703	3.9
230.10565	1.2
231.11307	1.7
239.08070	2.2
239.11816	13.0
243.07660	1.8
243.11320	8.7
244.09683	1.1
250.70064	0.8
253.09698	1.4
257.09329	3.9
257.12659	4.8
258.09982	1.7
261.12415	2.0
267.11243	11.6
269.12872	1.2
271.10788	4.0
275.10181	1.9
285.12314	13.1
289.11835	6.3
295.10788	8.6
303.13477	4.8
307.13007	1.6
313.11829	23.7
314.12189	1.5
319.12885	3.0
331.12888	32.5
332.13589	1.2
349.13947	100.0
350.14240	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	349.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	15.8
67.03732	32.3
69.03420	14.0
71.08421	16.7
85.02906	22.0
91.03712	21.4
97.02926	8.0
97.04759	17.2
98.97588	14.5
101.00873	17.3
109.04733	11.4
116.98621	13.2
119.01911	35.0
127.05805	15.3
131.01909	31.5
133.03438	11.3
134.99661	5.6
136.03119	6.0
137.02995	7.6
146.99550	7.2
161.02972	14.3
168.99863	10.5
169.06819	100.0
173.02963	10.9
187.00963	9.5
187.04494	8.9
187.07893	77.9
205.08910	32.0
215.00357	24.7
215.06261	6.6
229.02043	11.1
237.02661	9.7
247.03053	31.2
266.73990	5.8
289.04080	8.4
349.08713	9.8
349.13028	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.9
55.05513	28.0
56.96556	12.7
57.03437	21.5
61.02931	5.9
63.89385	4.6
67.05170	8.3
67.05505	100.0
69.03422	9.1
69.07062	26.9
69.29686	55.4
71.04996	8.7
73.80987	4.6
79.05491	47.4
81.03410	12.7
81.07050	55.1
83.04980	6.3
83.08626	19.4
84.04496	7.9
85.02916	6.3
91.05465	44.7
93.07034	38.1
95.04955	10.8
95.08598	33.7
97.06539	11.3
97.10171	17.9
105.07027	48.0
107.04940	13.8
107.08556	38.7
109.06567	8.5
109.10158	56.9
111.08061	7.1
113.72398	4.6
117.07056	17.6
119.08600	27.8
121.10161	15.9
125.09621	11.1
129.06985	6.9
131.08542	28.2
133.10086	24.5
135.08025	6.9
135.11714	10.1
136.06247	5.4
137.09653	8.9
145.10152	33.3
147.11655	12.1
149.09579	11.4
151.11223	5.8
155.10704	16.2
157.10132	8.7
159.11705	15.9
161.13240	7.8
171.11694	10.1
173.11743	69.7
173.13326	12.5
183.11623	5.3
185.13309	5.9
189.11226	14.7
239.17883	10.8
257.19080	12.0
275.03241	4.8
275.20056	27.8
277.21741	15.8
285.10278	6.9
295.22781	11.5
349.19931	12.1
349.23712	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96538	2.9
58.76962	1.4
61.02907	1.8
69.03413	6.5
70.60406	4.6
77.44833	1.4
78.33572	1.7
81.03418	2.7
84.04502	2.1
85.02432	1.7
85.02901	23.4
86.09702	3.3
95.04977	2.4
97.02897	8.7
98.97573	4.9
116.98639	3.3
122.06032	2.8
123.04424	80.2
124.04790	1.9
127.03922	3.1
132.59598	1.7
134.99678	1.6
136.06216	7.9
138.05476	1.8
145.04961	4.6
150.05486	3.8
151.03903	24.3
158.99666	2.2
159.05505	1.9
167.07024	3.8
168.06564	3.8
169.04965	38.6
176.08199	39.1
177.00792	2.8
186.06474	10.8
188.06465	2.5
188.08186	51.0
189.06651	1.9
203.09264	21.9
214.06128	37.6
215.04448	2.7
215.06342	2.1
216.07655	5.6
217.06157	1.4
231.08734	3.6
232.07201	3.5
257.10181	1.9
259.08313	6.3
277.09372	3.5
303.10861	55.4
304.11050	2.6
348.13031	100.0
349.13535	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23081	0.9
53.50824	1.0
56.96552	2.8
67.05501	1.4
69.03415	3.0
69.83771	0.9
70.06599	1.4
71.33170	1.0
71.33526	2.4
79.87862	0.9
81.03407	1.8
84.04510	1.1
84.08106	1.4
85.02907	7.1
86.09711	1.6
88.60643	1.1
94.06567	9.0
95.04932	1.3
97.02888	2.3
98.97575	2.7
108.08173	1.0
116.98656	2.0
119.01750	1.1
121.20561	1.0
122.06025	85.2
123.04424	2.2
123.06274	1.1
127.03964	1.3
134.05992	1.0
137.81689	0.9
138.05505	3.5
140.07024	2.7
147.04446	1.2
150.05502	81.3
151.05913	1.1
151.63100	1.0
160.08667	1.0
168.06557	100.0
169.06905	2.5
176.08249	9.4
177.63951	1.1
185.42523	1.2
186.07661	34.0
186.09296	1.6
187.04623	1.1
188.08197	16.1
192.30472	1.0
203.09314	5.6
214.06119	13.0
219.01842	1.9
231.08760	1.2
232.07260	1.7
232.38783	1.1
237.02829	2.0
259.08380	1.8
277.09250	2.1
288.96231	1.1
303.07489	2.3
303.10837	19.1
321.08627	2.3
348.12973	27.5
364.89740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65379	2.1
53.03938	3.9
56.05027	5.5
56.96557	6.8
57.03415	1.9
61.67645	2.4
67.05489	5.6
69.03412	6.9
69.20355	2.0
69.86227	13.1
70.06580	6.4
72.08167	4.4
81.03419	4.4
84.04475	2.7
84.08136	3.3
85.02898	14.3
87.05343	1.9
89.93697	1.8
94.06566	16.0
95.04980	2.1
97.02886	6.2
98.20802	3.8
98.97604	5.6
106.06552	4.9
108.04464	4.5
108.08095	10.6
109.02893	2.9
110.06035	8.6
116.07059	3.0
116.98666	3.0
120.04484	2.1
122.06024	54.3
123.06815	54.5
124.07606	7.3
127.03925	2.4
134.06018	10.9
136.07582	5.4
137.08353	6.4
138.05504	100.0
140.07069	8.3
150.05505	90.3
151.06291	38.0
152.07060	24.1
153.07869	3.0
165.75752	1.9
168.06564	94.4
169.07254	4.9
170.08105	2.2
177.00700	3.2
186.03870	2.0
186.07610	11.1
237.02875	2.9
279.47183	2.0
302.12305	3.9
303.27063	2.0
330.11713	11.1
348.12817	47.4
348.16733	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	347.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01871	2.0
55.05513	9.1
57.07079	2.4
65.76960	1.0
67.01889	0.9
67.05497	10.0
69.03447	1.5
69.07069	10.8
69.07426	1.6
70.01131	2.7
70.01546	3.3
70.06583	4.7
71.08624	1.1
79.05490	8.2
81.07062	12.6
83.04974	2.6
83.08625	3.2
85.06528	1.9
88.07623	3.9
91.05481	6.4
93.07043	14.7
95.04950	1.4
95.08606	10.9
97.06539	2.1
97.10171	2.0
98.20872	1.3
99.15014	1.1
105.07033	7.9
107.08587	10.4
109.06489	1.8
109.10152	7.0
111.08084	2.1
114.09157	1.8
117.07044	2.0
119.04981	1.1
119.08572	10.0
121.06497	2.4
121.10142	7.2
122.07310	1.4
123.08063	2.3
123.11722	1.6
125.09615	2.1
129.06937	0.9
131.08543	5.0
132.10205	4.1
133.06429	1.1
133.10074	5.5
135.08038	7.7
135.11688	4.6
137.09615	12.1
139.07549	1.0
139.11226	1.7
142.07828	1.4
143.08568	1.7
144.09245	1.6
145.10104	3.3
147.11679	4.8
149.09619	20.0
149.13228	2.9
150.11224	3.4
151.07536	4.5
151.11455	1.5
153.09132	1.5
153.12746	2.0
156.09300	1.3
157.10144	2.6
159.08054	2.1
159.11661	7.7
160.08847	2.6
161.09644	3.7
161.13272	2.2
162.06744	2.0
163.11169	5.8
165.09113	100.0
167.06966	1.1
171.11690	3.1
173.09581	5.3
173.13268	1.4
174.10429	2.7
175.07536	2.3
175.11197	10.9
176.08344	2.6
177.09122	13.4
177.12744	11.2
179.10686	1.4
181.08635	1.5
185.13213	1.1
186.10378	1.1
187.11177	3.6
188.08401	5.1
189.09126	13.2
189.12761	4.2
190.09868	2.2
191.07079	1.7
191.10674	9.5
199.11168	6.8
201.12758	1.7
202.09900	3.5
203.10669	63.7
204.11105	2.2
205.12227	13.4
213.12759	2.6
215.10672	1.9
216.11385	1.5
217.12209	13.1
219.13727	2.2
231.13799	3.5
250.06131	1.1
283.20526	2.2
293.19012	2.8
296.17688	4.2
301.17920	2.5
301.21634	3.1
303.30917	1.3
311.20047	17.1
319.19022	4.2
329.21112	27.8
330.21472	1.6
347.22168	11.6
347.33511	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	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.25740	1.0
77.80514	1.2
101.43029	1.2
135.77599	1.0
138.24402	1.1
280.19785	1.2
347.21924	100.0
348.22012	5.8
366.94528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01863	7.4
55.05510	34.7
56.96553	5.9
57.03189	2.1
57.03436	25.9
61.02906	2.2
65.03932	2.5
67.05172	3.8
67.05505	52.5
69.03416	6.3
69.07065	17.9
69.92390	13.6
70.45815	2.3
71.04972	4.9
77.03902	3.6
79.05064	3.9
79.05492	62.6
81.03405	8.1
81.07056	57.4
83.04969	7.4
83.08602	9.1
85.02910	3.7
85.06524	3.1
91.05483	100.0
93.07043	59.5
95.04979	17.8
95.08607	36.8
96.18988	2.4
97.02870	6.0
97.06532	8.4
97.10157	4.5
98.20701	2.2
103.05444	4.9
105.07035	75.0
107.04932	9.6
107.08582	26.4
109.06504	12.8
109.10142	11.6
111.08058	6.4
115.05450	7.4
116.06236	2.5
117.07013	36.3
118.06542	2.2
119.04974	2.8
119.08582	36.5
121.06491	7.0
121.10130	15.4
123.08056	8.7
125.09639	4.9
128.06229	18.9
129.07008	30.1
130.07782	6.7
131.07587	3.8
131.08563	64.1
133.06474	10.1
133.10126	22.3
135.08034	9.2
135.11678	7.4
137.05977	3.7
137.09622	4.4
139.11182	3.3
141.06987	6.9
142.07759	8.3
143.08556	60.9
145.06459	3.1
145.10118	54.1
147.08017	12.5
147.11661	9.3
148.08366	2.7
149.05899	2.3
149.09634	8.8
149.13217	3.5
151.11163	4.2
155.08536	8.1
157.10124	24.7
159.08063	6.1
159.11670	19.4
161.09637	16.6
161.13190	5.7
163.11250	2.6
167.08531	5.4
169.10112	11.6
171.11713	17.8
173.09651	6.2
173.13289	3.9
175.11188	8.4
177.12669	3.2
181.10123	7.8
183.11703	8.6
185.13257	8.4
189.12721	3.1
195.11674	11.5
197.13097	4.3
199.11343	3.0
199.14828	3.9
213.12717	5.2
217.15938	2.5
227.17926	7.2
237.16405	8.2
242.12402	2.4
245.18950	6.3
255.17448	10.2
268.52979	2.2
272.20026	2.8
273.18475	22.3
301.09576	2.7
329.24542	2.8
347.18243	21.2
347.22226	20.2
348.21509	3.3
348.25357	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80524	1.9
58.63451	2.6
69.33425	24.1
116.24165	2.3
156.73984	2.5
166.89040	2.2
173.64752	2.9
329.20868	81.2
330.20999	3.8
347.21887	100.0
347.60242	2.9
348.21970	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07059	1.3
60.32584	0.5
70.06573	1.8
70.17249	2.8
88.07607	2.3
93.07053	0.7
99.41740	0.7
101.49311	0.6
102.09153	0.9
105.07106	0.6
113.80604	0.6
119.08574	0.7
129.07053	0.6
131.08586	0.7
144.52597	0.6
145.55356	0.6
147.52805	0.7
171.11838	0.7
181.69655	0.6
202.80550	0.6
277.14026	0.6
285.29877	3.5
335.71500	0.6
346.23917	0.6
347.21927	100.0
347.33414	11.8
348.22305	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	347.1827
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
56.96574	0.8
58.36970	0.7
67.05495	2.9
69.07070	1.0
69.44856	5.9
73.50455	0.7
79.05486	2.1
81.07045	2.0
83.08631	0.8
91.05493	3.1
93.07043	2.2
95.04942	1.7
95.08589	1.9
97.02898	1.2
105.07036	3.0
107.08592	2.4
109.10144	0.8
117.06989	1.0
119.08568	1.0
121.06508	0.7
121.10125	1.4
131.08585	1.3
145.10107	1.0
147.08026	0.8
157.10098	0.8
165.09111	2.2
175.03894	1.1
177.18773	0.7
189.09192	0.8
203.10667	1.9
237.16278	0.9
273.18478	1.2
287.16446	1.4
329.17191	1.2
329.20956	1.0
347.18289	100.0
348.18546	2.5
363.40808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.53452	0.5
55.05508	1.3
56.96559	0.9
57.07075	1.3
60.46439	0.5
67.05486	0.6
69.07071	0.8
70.06585	0.6
71.59489	0.9
79.05496	0.8
81.07078	0.7
83.69589	0.6
91.05453	0.9
93.07068	0.6
95.08662	0.6
104.62399	0.5
105.07013	0.9
107.08556	0.7
109.10101	0.9
126.49435	0.5
126.87609	0.6
149.01245	1.1
149.02332	0.6
175.26840	0.5
187.27458	0.5
193.04944	1.2
209.11511	1.2
224.65657	2.4
249.14665	1.0
265.14120	0.6
285.30130	0.7
298.69876	0.6
329.50900	0.6
347.21936	100.0
347.67505	0.9
348.22214	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	347.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
55.05502	4.0
57.03423	1.1
63.91226	1.0
64.15229	0.9
67.05489	4.0
67.09944	1.0
69.07065	2.7
69.94133	6.0
72.93789	2.0
79.05476	4.1
81.07047	4.8
83.08611	1.4
90.94828	1.8
91.05468	5.2
93.07036	3.5
95.04993	2.4
95.08581	1.6
97.10150	1.8
97.12627	0.9
105.07030	4.9
107.04972	1.4
107.08589	1.7
117.07008	2.8
119.08592	4.1
121.10145	1.3
123.04478	1.3
125.09669	1.0
129.07025	1.2
131.08554	2.4
133.10068	1.2
135.08054	1.3
135.11763	1.4
143.08571	1.3
143.12009	1.0
145.10144	1.7
147.08060	1.4
161.09650	1.5
171.11742	1.1
175.11211	1.4
194.85364	1.0
223.09512	1.3
261.14630	39.9
273.18539	3.0
296.85223	1.1
347.13196	13.2
347.18271	100.0
348.18573	1.9
365.14050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1236
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01872	4.6
56.96552	2.7
67.05483	1.3
69.03419	3.0
69.07074	1.1
69.55595	3.5
69.56009	2.2
70.06593	1.4
79.05492	1.1
81.03408	1.0
81.07060	1.7
82.06586	0.7
85.02901	1.7
91.05466	1.6
93.07021	1.3
95.05012	0.8
97.02889	2.7
98.97568	1.9
103.05463	1.4
105.07047	1.2
106.06551	0.8
107.04967	1.3
108.04475	1.0
109.02878	1.1
109.06561	1.1
110.06069	0.8
116.98613	2.5
119.08562	0.9
119.15810	0.7
121.06542	1.3
122.03614	0.9
123.04453	1.0
129.07007	1.1
130.06529	0.8
131.04926	1.3
133.02843	3.2
133.06512	0.9
134.06047	1.1
134.99652	1.5
137.05974	6.2
138.05521	1.6
141.06999	0.9
146.99622	0.8
151.07414	0.8
152.03465	1.2
153.07008	0.8
156.08124	1.0
161.05978	2.1
162.05464	1.0
167.07150	4.0
167.08507	1.0
168.08064	1.1
170.08340	0.9
171.09184	1.8
172.07561	1.4
175.07567	1.0
177.00630	1.1
178.04979	2.8
181.08829	0.9
182.09698	1.2
183.09200	1.7
184.06273	1.2
185.06976	4.9
187.05019	1.7
188.03426	0.9
189.09091	1.4
196.07619	1.5
197.06999	1.7
198.07750	1.3
198.09355	1.2
199.08635	6.8
200.09212	1.0
200.10847	1.0
201.06581	4.7
201.10240	2.7
205.06042	1.3
209.10822	1.3
210.09215	1.9
211.08687	2.6
212.09309	1.1
213.06601	8.1
213.10168	5.6
219.01682	1.2
219.07671	0.9
222.07813	0.9
223.08601	1.2
225.10219	1.1
226.07231	0.9
227.08226	9.9
227.11732	4.6
228.10330	1.6
229.09657	4.8
229.13309	1.0
231.07739	5.3
237.02835	1.6
237.10217	4.4
238.08635	2.2
239.08203	2.5
239.11813	1.2
240.08904	1.1
241.09705	7.2
242.08177	1.3
243.11310	1.6
245.09203	2.5
250.07539	0.9
251.08067	0.8
255.07663	11.4
255.11310	10.5
257.09210	2.1
259.07370	1.1
259.10809	1.7
265.09689	4.9
266.08145	1.5
267.07593	2.2
269.09204	13.7
273.08746	8.0
273.11832	1.5
275.10455	1.0
275.13837	1.4
279.03952	0.8
283.07507	1.9
283.10739	29.7
287.10306	4.3
293.09219	5.1
301.11780	5.7
311.10248	44.3
312.10699	1.5
319.12921	2.9
329.11295	84.8
330.11807	4.2
347.12369	100.0
347.16757	51.0
347.20731	4.0
348.12704	5.4
348.16751	1.6
369.69812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87004	0.7
55.01880	6.3
55.05515	1.5
56.96545	0.9
69.03436	1.1
69.27998	1.8
69.28406	5.8
72.08161	5.6
77.55653	0.7
77.56095	0.6
79.05502	1.0
81.07076	1.0
85.02925	1.4
86.06065	0.9
91.05524	1.7
92.24494	0.7
93.07058	1.3
97.02926	2.1
98.20692	1.6
98.97622	0.8
105.07086	0.9
106.06580	2.7
107.08533	0.9
108.04538	1.5
110.06068	0.9
123.04416	1.8
129.07024	1.1
131.21487	0.7
132.08186	0.8
134.06036	1.4
138.05515	1.3
141.07014	0.8
144.08122	1.2
147.09131	0.9
148.04005	1.0
152.03445	2.0
154.06427	0.9
156.08104	1.1
157.07594	1.2
158.09691	1.1
160.03951	1.9
161.04742	1.4
162.05591	1.1
165.06952	0.8
167.07275	1.7
168.08112	1.4
170.08356	1.3
171.09232	1.7
172.07651	1.4
173.07130	1.2
176.07072	1.6
177.19321	0.8
178.04965	4.0
182.06133	0.8
182.09779	1.1
183.09293	0.8
184.06262	1.7
184.07701	1.3
185.07054	4.1
185.10837	1.5
187.05075	2.6
187.55229	0.8
195.09154	1.3
196.07582	1.3
197.07143	2.1
198.07797	1.6
199.08653	8.2
199.12442	1.0
200.10782	1.5
201.06592	6.7
201.10272	3.0
205.06143	2.5
209.07071	1.5
209.10774	1.4
210.09221	1.8
211.08705	2.9
212.09158	0.9
212.10977	1.2
213.06566	9.2
213.10175	7.2
214.07205	0.9
215.11729	1.1
223.08627	1.6
225.06487	1.2
226.08835	0.8
227.08151	12.3
227.11729	5.5
228.06578	1.4
228.10292	1.5
229.09682	5.7
229.13380	1.2
231.07664	6.3
237.10240	4.8
238.08595	3.2
239.08247	2.4
239.11766	1.1
240.10315	0.9
241.06276	0.9
241.09720	8.7
243.07722	1.1
245.09264	2.3
250.07269	1.7
251.08168	0.8
255.07677	16.8
255.11310	10.0
257.09161	3.4
257.12839	1.2
259.07242	1.7
259.10785	1.9
265.09824	6.4
266.08148	0.9
267.07584	2.2
267.11301	0.8
268.09900	0.9
269.09186	11.6
273.08771	7.3
273.11658	1.2
275.10364	0.8
283.07513	1.7
283.10767	29.4
285.08527	0.8
285.18817	1.9
287.10233	5.7
293.09222	6.7
301.11777	6.2
311.10248	52.8
312.10568	2.9
319.12808	3.2
329.11313	100.0
330.11597	4.8
347.12363	91.8
348.12714	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52058	5.5
55.05500	27.1
62.20877	5.7
67.05508	69.5
69.03426	6.2
69.07054	18.5
69.62134	12.3
69.62536	42.5
74.08605	6.3
76.40068	5.7
79.05494	23.4
81.03418	7.6
81.07041	29.2
83.04981	6.6
83.08611	14.3
91.05475	22.2
93.07036	17.3
95.08600	24.7
97.02898	14.8
97.10168	16.8
105.07033	19.9
107.08607	22.0
109.10159	57.4
116.98646	6.3
117.81531	6.2
119.08601	12.3
122.64339	7.0
125.09623	7.6
137.09641	7.6
145.10129	9.9
149.09592	6.9
155.10690	7.5
163.11224	7.5
173.11736	100.0
184.07671	5.8
189.11211	15.2
190.18188	6.6
260.91269	6.3
275.20093	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01870	3.4
56.96570	1.5
57.03433	5.8
58.52843	1.4
61.02930	12.6
69.03432	22.6
69.94873	3.7
69.95279	5.6
70.06580	4.9
71.05003	3.3
72.95882	1.5
73.02913	2.6
75.56149	1.6
81.03417	9.8
85.02908	100.0
86.09704	6.2
87.04488	2.8
91.03959	5.7
97.02892	27.6
99.04441	4.5
107.04958	64.0
109.02846	9.6
110.11306	1.6
111.43165	1.7
121.06516	2.5
127.03929	20.8
136.07529	2.0
137.05936	2.8
145.04968	35.1
145.06128	2.3
149.05978	20.4
159.78746	1.8
163.06030	5.3
167.07098	8.5
173.05975	5.3
180.08734	12.2
204.72014	1.7
215.07074	8.3
233.08081	6.8
233.71013	1.7
257.08026	2.3
277.46835	2.2
314.10349	1.6
345.40842	2.0
346.11566	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	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
56.05035	39.5
56.96569	3.1
57.03436	3.0
61.02927	2.9
69.03417	8.8
71.03291	3.0
71.03632	2.5
72.08129	2.0
84.08144	3.7
85.02911	12.6
87.04434	2.4
93.07030	2.1
96.00834	1.5
97.02898	5.7
98.06068	2.8
98.97582	3.3
99.04456	2.1
108.08099	6.8
109.02887	3.2
110.09643	3.3
113.03490	6.2
116.07106	3.8
116.98644	3.2
120.08074	2.2
123.06799	3.0
124.07631	3.3
127.03893	1.8
128.98618	2.1
136.07579	23.7
137.08368	28.9
138.05511	7.0
138.09154	7.8
146.99596	2.4
148.03922	6.3
148.07581	20.5
149.04286	6.0
152.07097	5.7
153.07893	2.2
154.08636	6.4
166.04967	24.9
166.07181	4.0
166.08633	82.2
167.05334	23.0
168.07733	4.4
183.07613	9.3
184.06174	3.8
184.08008	13.8
184.09726	58.4
190.03963	3.3
197.05557	10.5
214.08221	30.1
219.01823	2.2
237.02919	3.3
316.13831	3.7
346.15018	100.0
347.15039	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	346.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67855	0.6
55.01878	0.6
62.07296	0.6
69.03419	1.1
70.06590	1.4
71.58257	0.7
81.07070	0.7
82.06579	0.7
83.10276	0.6
85.02908	2.1
86.09700	0.7
91.05464	0.8
94.02920	0.8
96.04479	1.8
97.02896	1.3
98.34387	0.6
107.04969	1.2
109.02940	0.6
110.06046	6.9
112.03962	91.4
113.04337	0.7
116.98643	0.6
120.04401	0.8
122.02877	0.7
123.04406	2.0
131.49960	0.6
138.05496	84.3
139.05797	0.8
145.04919	1.3
147.04387	1.3
154.02640	0.7
163.03918	1.4
166.04987	7.7
170.79501	0.6
182.09279	2.1
184.06050	100.0
185.06419	1.1
192.02098	0.6
199.71744	0.6
202.01688	0.6
226.02101	0.7
228.09753	0.6
273.93738	0.6
338.21436	0.8
346.11481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.7
55.05508	56.9
57.03429	15.0
64.48243	3.2
66.38696	2.8
67.05502	42.3
69.03423	4.5
69.07063	10.7
71.58787	5.1
71.59153	3.7
73.05933	3.1
75.32752	3.4
79.05493	46.1
81.07052	36.5
83.04980	5.1
83.08614	17.7
85.06542	3.8
91.05491	21.7
93.07041	23.0
95.08609	9.8
97.10155	31.0
100.50284	3.3
102.49609	3.4
105.07024	23.8
107.08593	30.4
109.06539	4.6
109.10169	13.1
115.05447	22.6
117.07014	96.5
117.07851	4.7
119.08590	32.1
125.09622	32.5
129.07019	8.4
131.08566	12.5
133.10129	7.1
135.08073	13.0
142.07747	5.5
143.08562	16.7
145.06473	100.0
145.10118	8.6
146.06905	3.8
147.08037	4.4
147.11742	6.3
147.92851	3.0
153.09169	9.2
155.08513	7.2
157.10114	13.1
158.21899	3.6
159.08118	6.0
159.11719	3.2
161.09659	4.3
161.13274	8.2
165.05513	6.3
169.10100	6.4
171.10193	3.1
171.11687	4.7
173.11754	5.6
183.11665	5.8
189.11220	19.9
189.12808	12.8
225.16393	10.2
233.41238	3.0
243.17581	6.7
253.15820	6.9
271.16910	76.2
279.73099	3.5
327.19669	5.2
331.43494	3.9
338.25458	3.0
345.16672	22.4
345.20578	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	345.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01861	7.8
55.05263	3.1
55.05510	42.8
57.03436	23.3
59.04998	2.1
65.03925	2.2
67.05502	34.5
69.03425	36.4
69.07067	15.0
70.22628	1.8
70.54916	6.0
71.04992	3.6
79.05488	40.0
81.03414	6.7
81.07050	29.8
83.04963	5.5
83.08611	14.1
85.02882	3.4
87.04453	2.2
91.05466	22.5
93.07047	16.4
95.04964	5.0
95.08616	8.0
97.02916	10.8
97.06571	2.7
97.10168	26.2
99.04492	2.6
103.05453	6.5
105.07036	12.3
107.04942	6.5
107.08591	25.7
109.02899	2.6
109.06513	4.5
109.10144	7.3
115.05443	18.6
116.98637	2.8
117.07018	76.1
117.07848	4.2
119.08578	22.2
121.06464	2.8
123.04422	6.5
125.09634	22.0
128.06177	6.4
129.07008	8.2
131.04932	4.0
131.08569	13.9
133.06479	5.3
133.10138	3.9
135.04414	2.7
135.08083	10.3
137.05959	14.3
139.03940	2.3
141.06989	5.5
142.07797	3.8
143.08534	12.7
145.06474	100.0
145.10104	6.9
147.04443	2.6
147.08044	4.9
149.05978	5.8
149.09624	2.3
151.03862	2.7
153.05466	14.5
153.09090	5.4
154.07698	2.3
155.08559	8.1
157.10112	16.1
159.08054	8.5
159.11708	3.7
161.09677	2.7
165.05469	5.4
167.07074	4.3
168.05795	2.0
169.10114	7.4
171.08023	2.7
171.10208	4.2
171.11641	2.5
173.09665	4.0
175.03931	2.3
183.11687	5.5
185.13179	2.8
187.14980	2.5
189.11194	15.5
191.07050	9.0
197.13193	5.2
205.12384	3.7
215.14380	13.7
225.09135	3.0
225.16380	8.4
235.14790	3.4
239.06857	3.0
243.17540	11.8
253.15872	7.8
267.09860	2.9
271.16916	88.1
272.17291	3.8
289.10678	2.7
289.18054	6.3
295.09735	3.2
313.10690	14.6
345.13095	10.0
345.20673	8.4
355.42227	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54339	71.1
58.94168	67.6
63.91586	72.5
71.59682	80.5
75.22246	65.7
81.07059	95.5
93.07053	77.7
117.64268	100.0
250.89238	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2034
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
55.44012	0.7
66.53821	0.6
67.05464	0.6
69.94827	0.8
69.95113	3.4
79.05508	0.8
81.07039	1.0
87.23122	0.5
91.05489	0.8
93.07030	0.8
105.07022	1.0
175.11072	0.6
194.73450	0.6
327.19394	1.0
333.58936	0.6
345.20361	100.0
346.20645	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01863	2.0
55.05507	1.4
57.03418	1.6
60.21355	0.8
65.03923	1.2
65.82355	0.8
67.05500	3.7
69.03428	100.0
69.07056	0.9
69.92426	3.9
70.03740	1.4
71.04974	2.6
79.05476	4.0
79.07197	0.8
81.03420	18.7
81.07050	2.7
83.01323	1.2
83.04985	1.8
85.02915	6.4
86.09711	1.9
87.00829	1.7
91.05471	5.5
93.07047	2.3
94.04203	1.3
95.04949	5.1
95.08568	2.0
97.02892	26.2
99.04455	14.2
103.05456	3.8
105.07039	3.0
107.04994	2.1
109.02873	5.0
109.06505	2.5
111.04401	2.8
115.03925	1.2
116.07125	1.1
119.04953	1.3
119.08585	1.5
121.06477	1.5
122.03621	2.7
123.04415	4.0
124.82137	0.9
125.02321	1.3
127.03910	3.7
129.07002	1.0
131.04945	4.6
133.06473	5.4
135.04399	1.6
135.08063	2.0
137.05978	27.6
138.06541	1.3
139.03894	2.5
145.04950	11.9
145.06537	1.7
147.04372	1.3
149.05960	2.0
151.03922	2.4
151.07538	2.4
153.05524	1.7
157.04984	1.0
159.04440	1.1
161.05861	1.2
163.03911	1.0
163.07516	6.4
165.05460	2.2
165.09074	1.4
167.06967	1.0
173.04399	1.0
175.07591	1.9
177.05446	2.6
181.04890	1.0
189.09102	1.3
191.07042	1.7
201.09100	1.2
205.04944	1.7
215.12732	1.0
223.06056	1.4
241.07072	5.2
261.68387	1.0
285.11176	0.9
313.10641	2.6
327.07083	8.2
327.12616	1.2
345.08270	1.1
345.13504	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58802	0.5
55.01867	0.6
56.05025	1.6
56.96553	1.7
57.03440	0.8
61.02942	1.1
65.03925	0.7
67.95969	0.6
69.03427	5.0
70.06573	1.8
71.04999	0.9
71.12972	0.9
71.13306	0.8
72.08150	1.2
73.02899	1.0
81.03399	1.1
84.08145	0.6
85.02894	5.8
87.04459	0.9
92.05001	0.7
97.02888	3.0
98.97586	0.8
99.04464	0.9
109.02847	0.5
110.06015	0.8
116.07082	2.2
116.98609	1.5
119.01872	0.6
120.04517	0.7
122.07200	0.9
127.03903	1.5
128.98602	0.5
131.00169	0.5
134.99603	0.6
136.07561	1.8
138.05510	3.1
145.04953	0.8
148.03929	36.2
148.07608	0.9
163.03998	0.7
164.07091	0.6
165.06499	2.4
166.04997	100.0
166.08643	3.7
167.05444	1.2
183.07648	55.9
184.06061	4.5
184.09724	1.8
214.08134	1.4
219.01782	0.6
235.29326	0.5
237.02812	0.8
295.32953	0.6
328.10214	2.0
345.06326	0.6
345.12839	8.7
346.11169	0.5
346.15076	3.4
353.75662	0.5
354.25095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1168
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
55.01881	0.8
57.94576	0.7
69.03435	2.5
69.87781	0.9
70.06591	100.0
70.83096	2.7
72.08149	0.8
81.03445	1.0
84.08133	1.3
85.02920	1.6
91.05464	1.8
98.06071	2.0
106.29681	0.8
110.06039	1.0
111.07235	0.9
112.03988	2.1
116.07094	22.9
120.05286	1.0
122.03603	1.0
123.04418	0.8
126.59369	0.8
127.87120	0.7
131.02399	2.2
134.99611	0.9
135.03526	1.8
137.05991	10.1
138.05511	3.6
139.03894	0.8
146.02147	3.4
147.04381	3.8
148.03716	1.1
148.04730	5.0
165.05533	1.8
166.05821	2.1
174.01622	42.5
183.03650	13.2
184.06059	3.4
195.03693	0.8
197.52750	0.8
203.04225	5.0
221.05342	2.0
230.05428	2.3
281.10370	0.9
293.93503	0.7
307.78195	0.7
309.09311	1.2
310.21167	0.9
327.10587	2.1
328.09024	7.2
345.11679	94.4
346.11871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1156
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
55.01861	1.1
55.05486	1.6
57.03391	0.9
63.88128	1.0
67.05479	1.7
69.03083	1.5
69.03430	20.5
69.07028	1.3
69.29032	4.5
69.29457	6.5
71.04989	1.0
79.05477	1.8
81.03419	5.3
81.07046	1.9
83.04954	1.2
85.02911	2.5
91.05478	2.6
95.04935	1.3
97.02905	7.6
98.21501	2.2
99.04449	3.6
105.07059	1.6
107.04948	1.6
107.08546	1.1
108.08140	1.0
109.02884	1.7
111.04411	1.2
115.97427	1.0
119.01893	1.9
119.08614	1.4
120.36331	1.0
121.06505	1.2
123.04418	2.8
124.07583	1.4
125.02354	1.1
127.03938	1.2
131.01967	1.2
131.04866	1.0
136.07489	1.2
137.05959	5.6
137.07861	1.1
137.09534	1.1
145.03430	1.1
145.04976	1.9
147.04382	1.2
154.80324	1.1
163.76961	1.0
165.05484	1.5
165.07404	1.9
167.07043	2.5
172.03984	1.0
175.03822	1.2
186.02281	1.2
194.06683	1.0
210.06601	1.2
253.08569	1.2
255.17827	1.7
259.11542	3.9
271.04056	1.8
301.09366	1.9
301.12595	21.3
301.18106	1.3
313.10785	2.6
345.11533	100.0
346.11887	3.1
362.41400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01868	1.8
55.05510	1.3
57.03443	2.0
57.07069	0.9
67.05495	2.1
67.63097	0.8
69.03427	100.0
69.40397	3.2
69.40826	3.8
70.03735	1.2
71.01363	1.2
71.05000	1.4
76.69459	0.7
79.05493	3.2
81.03413	19.3
81.07053	2.3
83.01355	2.5
83.04964	1.8
84.08130	0.7
85.02915	6.0
87.00851	0.8
91.05468	4.3
93.07043	2.9
95.04993	4.0
95.08653	1.0
97.02889	27.2
99.04455	12.2
101.02367	0.8
103.05428	3.5
105.07072	1.1
107.04972	2.8
109.02869	4.3
109.06516	1.2
111.04456	2.1
113.02480	0.7
115.03931	1.6
119.04971	1.4
121.06549	2.0
123.04430	5.5
125.02375	2.3
127.03936	2.4
131.04964	2.1
135.04454	1.8
135.08044	0.9
137.05975	5.1
139.03932	2.1
139.07501	1.1
145.04950	11.5
147.04399	3.5
149.06012	2.8
151.03906	5.0
151.07594	0.8
157.05017	1.2
161.06003	1.1
163.03963	1.2
165.01871	1.8
165.05522	2.6
167.07060	1.2
173.04427	0.9
175.04039	0.9
177.05423	3.4
177.09207	0.9
183.02916	1.1
191.07072	2.2
193.08650	1.2
195.06589	1.6
205.04878	1.3
223.06076	1.7
225.07529	1.7
225.85080	0.7
241.07076	4.3
249.29282	0.8
294.90848	0.7
295.09756	1.0
313.10666	3.9
327.07010	8.9
327.12646	1.0
327.16031	0.8
345.08582	2.3
345.13486	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	345.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01856	2.3
56.06738	1.0
57.03416	2.1
67.05486	3.4
68.99805	1.1
69.03427	100.0
70.56408	3.2
71.01346	2.1
71.04994	2.6
72.37178	1.1
79.05487	2.7
81.03413	22.1
81.07037	2.6
83.01340	2.0
83.04961	2.2
85.02905	5.1
87.00804	1.6
87.04427	1.1
91.05471	7.0
93.07027	2.0
94.04198	1.6
95.04948	4.2
95.08597	2.0
97.02890	26.8
97.06516	1.6
99.04453	17.5
103.05433	4.5
105.07014	2.7
107.04923	2.9
109.02842	5.3
109.06493	1.5
111.04385	2.1
112.00031	1.2
119.04966	1.4
119.08557	1.7
121.02897	1.4
121.06467	2.5
122.03635	3.0
123.04421	3.6
125.02337	1.3
125.06038	1.6
127.03915	4.0
131.04892	5.4
133.06476	3.8
135.04405	2.8
135.08008	1.8
137.05975	25.0
137.09633	1.4
138.06262	1.1
139.03879	2.0
139.07533	1.9
143.03319	1.7
145.04970	14.2
145.06087	1.5
147.04379	1.7
149.06004	2.4
151.03912	2.4
153.05437	1.8
157.04985	2.2
161.05952	1.2
163.07549	4.4
165.05453	3.2
165.06903	1.4
167.06995	1.4
173.04384	1.2
175.07542	1.8
177.05554	1.8
189.09079	2.2
191.07109	2.1
193.04971	1.5
201.09029	1.7
241.07019	4.4
253.08392	1.4
295.09497	1.1
299.09369	1.4
313.10623	2.6
327.06900	9.6
345.13495	1.7
350.40073	1.2
361.36722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	3.0
57.43171	0.6
65.77365	0.6
71.57606	1.2
71.57966	0.8
93.06185	0.6
98.97582	3.3
104.99259	1.2
115.85370	0.6
116.98626	5.5
119.01909	5.4
120.01975	0.6
129.40155	0.6
134.99677	5.3
137.02957	2.8
142.03506	0.8
144.29834	0.6
153.00743	1.0
177.00960	14.8
178.01039	1.7
182.99934	1.5
201.00893	4.1
201.02589	0.6
215.79024	0.7
219.02000	100.0
220.02104	6.9
221.02048	0.8
235.00006	3.9
236.00066	1.1
238.95564	0.7
242.03621	6.1
253.01012	1.1
256.96637	11.8
257.96835	1.1
258.96274	0.9
258.97598	0.8
258.99985	4.9
259.96429	0.6
260.00217	1.1
261.03104	2.4
262.98254	0.7
272.94382	0.9
274.97626	5.9
275.97775	1.0
277.01019	7.5
278.01212	1.6
279.00684	0.6
279.98138	1.3
280.96805	1.0
282.99957	8.7
284.00162	1.3
291.99826	0.7
298.97675	30.1
299.97772	2.5
301.01056	22.4
302.01178	4.3
303.00937	1.1
315.96014	0.7
316.93134	1.2
319.02029	2.3
319.44205	0.8
321.99200	4.2
324.02667	1.1
325.90796	1.1
328.44186	2.1
328.94345	2.0
334.96442	0.7
339.95276	1.0
357.96698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.4
55.05514	55.2
56.85501	3.2
56.96568	10.6
57.07071	4.0
66.92480	3.5
67.05510	33.1
69.03419	7.1
69.07072	23.0
69.56985	3.8
70.84435	10.0
71.08633	10.6
75.16566	3.3
79.05503	32.6
81.03407	6.6
81.07051	25.8
83.04969	6.3
83.08624	30.3
91.05473	13.5
93.07047	17.6
95.04955	6.2
95.08616	8.3
97.10173	84.2
99.08092	13.3
105.07073	9.0
107.08588	33.6
109.10172	9.9
111.08109	7.1
116.38717	4.2
119.08593	10.2
125.09639	80.0
131.08583	5.7
133.10107	4.8
135.08084	18.0
135.11775	4.6
147.11638	6.5
151.11197	7.6
153.09117	15.7
157.12227	5.7
171.10258	4.6
171.11655	4.6
185.13470	3.7
203.12798	100.0
231.20714	4.5
251.33676	3.6
257.73691	4.2
259.20593	4.9
277.21655	38.1
292.91479	3.9
294.28802	4.2
309.24265	14.1
321.16785	3.8
344.19043	11.5
349.16891	6.8
363.18469	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	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95570	100.0
71.08627	29.7
79.05478	19.3
81.07066	20.8
83.95110	22.3
93.07089	24.6
100.11248	25.0
105.07040	29.1
133.10225	18.8
145.40752	16.9
350.62903	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	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73080	4.6
55.01866	7.7
55.05512	43.5
55.06263	4.9
60.45399	4.1
67.05501	34.9
69.03416	7.3
69.07056	16.6
70.06566	17.6
71.08630	72.5
71.59434	8.2
78.88953	4.9
79.05486	30.6
81.07048	24.6
83.04983	11.2
83.08617	32.0
88.07645	39.2
91.05471	11.9
93.07034	22.7
95.08596	12.0
97.10150	49.2
99.08084	54.6
105.07025	7.1
106.08681	14.2
107.08590	23.6
109.10170	10.2
119.08538	8.3
121.10070	6.2
125.09619	55.9
131.08557	6.6
135.08052	14.7
135.11725	4.9
151.11234	9.6
151.12502	5.4
153.09065	14.7
161.13220	14.3
165.05589	5.5
175.03964	5.3
179.14223	5.7
203.12756	57.2
226.18062	6.3
277.21713	28.7
277.24335	4.6
283.26276	20.3
309.24258	8.4
317.54749	5.0
323.97000	5.2
344.21219	5.3
344.26483	5.8
344.31543	14.0
344.35294	12.1
345.20313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41001	3.7
53.34883	4.1
55.05513	5.2
56.96555	6.0
59.21766	3.9
66.08399	4.5
67.05508	10.8
69.07073	4.9
76.64561	4.1
79.05484	8.6
81.07061	11.7
91.05495	5.2
93.07056	11.9
95.05003	5.8
95.08607	6.9
100.11241	4.6
105.07057	4.6
109.10175	7.4
119.08585	6.9
123.04453	4.5
149.66528	4.6
165.05489	6.1
173.11731	5.2
175.03925	9.2
176.29213	4.9
192.06453	4.8
295.16687	4.7
344.35190	6.0
345.20355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.7
53.21080	12.2
55.05497	34.9
56.96550	19.1
57.03425	41.4
59.04976	11.7
62.54868	10.9
67.05512	100.0
69.03416	20.9
69.07059	21.5
71.04993	27.3
71.58958	15.0
72.13361	10.7
79.05493	52.8
81.03403	25.5
81.07067	60.9
82.14909	9.6
83.04977	28.3
83.08607	20.2
90.86706	9.4
91.05511	53.9
93.07057	69.9
95.04970	43.3
95.08633	85.4
97.06495	14.2
105.07006	20.1
107.08588	41.0
109.06501	29.0
109.10177	58.1
111.08075	19.1
117.07003	20.4
119.08553	36.9
121.06487	12.3
121.10164	20.3
123.08035	23.1
129.44859	9.9
131.08562	18.1
133.10095	20.6
135.07951	9.8
135.11633	16.2
137.09602	19.4
145.10049	13.7
149.72981	11.1
155.10664	45.2
173.11765	27.8
217.15846	13.6
218.22774	9.2
218.65973	11.3
234.60394	10.7
273.18396	16.0
291.19485	21.3
345.09760	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	344.2219
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.05492	1.3
57.03406	0.6
67.05466	1.6
69.03429	3.2
69.07037	1.4
69.44805	2.8
69.45229	1.6
79.05489	5.0
80.04967	1.0
81.03381	0.9
81.07002	1.9
81.12510	0.5
83.08545	0.6
91.05487	4.7
93.05749	0.6
93.07037	4.1
95.04940	1.2
95.07311	0.6
95.08567	2.3
97.02869	1.9
103.04819	0.8
103.05466	11.6
105.07037	3.4
107.04967	6.2
107.08537	2.1
108.08117	15.2
109.08894	1.1
110.09657	1.2
115.05544	0.6
119.08552	1.1
120.08099	4.2
121.06488	0.5
122.09663	10.4
123.04353	0.7
123.10384	1.8
124.11264	0.5
130.06534	3.3
131.04913	6.3
132.08063	2.2
134.09607	1.0
135.11636	2.1
136.11205	4.7
137.05937	1.7
137.13200	0.6
143.08510	0.6
144.13773	1.8
145.04976	0.6
147.04391	0.9
148.11197	0.8
149.05937	1.4
150.12776	24.0
151.03912	0.7
151.13571	7.1
152.10631	0.6
152.14308	3.6
161.13237	0.7
164.14331	1.1
173.27405	0.5
179.14244	0.6
180.10201	5.1
186.12679	0.5
187.03815	0.7
191.07013	1.2
193.04933	0.6
198.12851	0.6
200.14294	2.1
205.12173	0.9
208.13493	0.6
209.14064	0.7
212.14018	0.7
216.10683	0.5
218.11873	0.5
223.75397	0.5
226.15948	1.2
228.10193	1.5
246.11217	0.7
246.14847	1.9
254.19043	3.5
256.13354	1.1
258.14792	0.8
269.10675	0.5
270.14883	2.0
272.19995	0.7
285.04007	2.9
285.11307	0.6
298.18140	1.0
300.19580	100.0
301.19894	4.9
302.21091	3.9
313.10605	1.3
321.05118	0.6
344.22217	49.4
345.13675	1.2
345.22498	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03424	0.7
61.02914	1.7
65.03938	0.6
69.03434	3.9
69.30599	1.1
69.31005	4.3
71.58895	0.5
73.02918	0.5
81.03406	1.4
85.02911	15.9
87.04453	0.5
91.03963	0.8
91.05503	5.1
91.77619	0.5
95.04969	0.6
97.02890	3.4
98.56602	0.5
99.04438	0.9
100.73972	0.6
109.02859	1.4
119.04954	19.9
123.04439	2.0
127.03915	2.3
145.05017	3.3
147.04419	100.0
148.04738	1.7
163.06070	0.6
165.05486	45.9
180.08562	0.6
181.89343	0.5
182.08194	0.7
208.02527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88667	0.6
55.01861	0.7
56.83126	0.7
57.03433	1.0
61.02910	1.6
65.03935	1.1
69.03430	5.0
69.95293	1.4
69.95710	2.1
70.06600	8.8
71.04997	1.0
74.44097	0.6
81.03407	2.9
85.02909	17.2
86.09717	1.0
88.03995	0.7
91.03987	0.7
91.05481	6.1
93.07033	0.9
95.04969	1.0
97.02892	3.3
97.73042	0.6
99.04449	0.8
109.02897	1.6
116.07089	1.2
119.04954	18.4
122.32063	0.7
123.04461	3.0
125.20920	0.6
127.03938	3.2
129.10355	0.7
139.03893	0.8
145.04971	2.8
147.04416	100.0
148.04755	0.9
163.03806	0.8
164.01651	0.8
165.05481	48.8
174.01649	4.3
180.08737	0.7
183.03687	1.3
215.87152	0.8
225.08832	0.8
260.39880	0.8
273.16974	0.6
275.76636	0.7
313.10370	0.8
321.16150	0.7
328.86899	0.8
345.11612	8.5
345.15298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.6
57.07075	20.0
61.27661	2.5
67.05503	24.0
69.07079	15.6
69.95593	14.0
71.04999	4.6
71.08630	5.9
79.05482	14.5
81.07057	65.6
83.08608	12.6
85.06547	11.9
90.86432	2.7
91.05479	10.5
93.07044	35.7
95.04946	5.0
95.08604	97.9
97.10168	4.9
98.21440	4.9
105.07024	24.7
107.08589	37.2
109.10143	46.1
113.09640	5.3
117.07062	4.5
119.08583	26.1
121.10137	33.7
123.11716	33.5
131.08559	9.4
133.10129	19.0
135.11708	23.6
137.09586	3.7
137.13239	30.8
145.10110	11.7
147.11690	19.1
149.13248	20.6
151.14812	5.4
157.10106	4.0
159.11646	7.9
161.13252	14.5
163.11174	3.1
163.14809	8.2
173.13210	14.3
175.14803	12.1
177.16394	9.1
185.13191	5.1
187.14827	11.9
189.16382	9.1
191.14406	7.8
191.17958	13.0
201.16350	12.6
203.17993	8.4
205.15987	2.9
205.19437	3.5
215.17941	8.6
217.19463	7.8
227.17879	5.1
229.19540	8.6
231.17509	4.2
241.19577	4.6
255.21121	7.6
269.22595	6.8
325.28873	45.8
343.30066	53.8
343.33801	7.1
343.37607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.5
54.60329	3.6
55.05513	22.5
56.94390	4.2
57.07080	10.2
59.04991	9.1
61.79900	3.8
67.05514	29.4
68.85218	3.6
68.97905	4.1
69.03412	13.1
69.07063	7.1
69.69955	29.0
69.74302	4.3
71.04979	26.2
79.05485	28.1
81.07055	42.3
83.04974	8.2
85.71455	4.0
85.80431	4.7
91.05479	44.7
93.07041	86.3
95.04973	66.5
95.08603	90.9
97.06527	13.5
105.07030	100.0
107.08587	57.2
109.06523	20.6
109.10146	5.5
115.05472	10.6
117.07024	33.3
119.08591	44.1
121.06503	19.7
121.10146	19.2
123.08067	34.1
128.94580	4.1
129.06984	10.7
130.07820	20.1
131.08519	8.3
133.06491	10.2
133.10132	16.7
135.08087	31.7
135.11700	20.1
137.09621	6.7
143.08563	17.0
145.10109	99.4
147.08008	23.1
147.11696	6.0
149.09624	7.3
151.07558	55.0
157.10086	10.6
159.11742	10.4
160.50282	4.3
161.09590	10.6
161.13350	6.2
163.11179	62.5
165.09099	18.8
169.10201	7.3
171.11642	7.9
173.09601	6.8
175.11176	7.7
177.09096	5.4
184.82663	4.5
187.11195	5.0
189.12730	14.0
190.46143	4.1
201.12750	5.1
203.14296	10.3
207.10039	5.3
207.13631	5.7
221.15355	29.2
239.54657	4.6
263.16364	6.8
269.67773	4.4
277.79730	5.3
323.54364	5.4
325.21585	12.4
343.22736	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01868	5.1
55.05504	16.0
57.03413	11.4
57.07068	11.0
59.04992	4.5
63.59998	2.7
65.03914	3.8
67.05506	29.8
69.03420	12.4
69.07047	9.5
71.04996	23.6
74.21463	3.5
74.62903	2.9
79.05488	22.7
81.03432	4.0
81.07064	29.3
83.04985	6.3
85.06523	6.8
91.05476	38.1
93.06475	5.3
93.07041	79.3
95.04971	58.6
95.08605	84.5
97.06534	19.8
105.07029	100.0
107.04945	4.3
107.08595	54.8
109.06525	14.9
109.10135	6.8
115.05460	7.0
116.56547	3.9
117.07008	35.1
119.08575	32.2
121.06522	17.2
121.10130	14.2
123.08078	25.0
125.09641	3.6
128.06154	5.1
129.06979	10.5
130.07764	12.3
131.08545	11.9
133.06473	8.7
133.10100	17.5
135.08070	23.1
135.11655	17.4
137.06010	3.4
137.09622	5.2
143.08591	10.3
145.10121	83.6
147.08017	17.2
147.11688	7.6
151.07539	40.0
153.09068	4.8
155.08447	3.2
157.10091	10.2
159.08034	4.7
159.11662	12.1
161.09605	8.9
161.13321	5.3
163.11182	58.6
165.09137	19.6
171.11740	3.5
173.09590	5.0
173.13333	6.3
175.11186	5.3
176.07268	3.0
177.09105	7.1
179.07097	7.2
181.04782	3.7
183.11639	3.9
187.11118	5.7
189.12692	10.0
191.03380	2.8
191.14359	3.0
195.11809	4.4
197.13240	3.4
199.14799	3.8
203.14279	10.5
205.12288	3.3
207.10196	4.1
207.13806	6.5
209.15364	3.7
221.15334	22.1
233.15320	4.2
263.16400	8.8
286.19202	5.4
307.20538	4.7
325.21646	7.4
343.18747	98.1
343.22647	51.2
343.26379	16.4
344.19138	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.26374	3.1
53.03948	6.7
53.68604	3.1
55.01871	9.1
55.05509	20.7
57.03434	9.2
57.07072	8.8
59.05006	7.0
65.03906	4.4
67.05505	32.0
69.03429	11.6
69.07062	10.1
69.40041	30.4
71.04996	27.2
79.05499	33.0
81.03414	4.8
81.07060	31.2
82.65220	3.0
83.05000	5.9
85.06574	4.0
91.05475	36.3
93.06477	5.2
93.07050	85.1
95.04976	73.4
95.08610	94.7
97.06537	13.2
103.05441	3.9
105.07035	100.0
105.67599	3.1
107.04948	4.5
107.08590	65.6
109.06516	19.7
109.10129	5.9
115.05453	5.3
117.07018	37.6
119.08578	30.6
121.06545	18.4
121.10159	22.7
123.08064	31.6
125.05986	4.1
128.06232	6.3
129.07033	6.3
130.07788	24.1
131.08563	12.2
133.06480	9.3
133.10176	19.7
135.08038	31.3
135.11731	16.6
142.07762	5.5
143.08566	14.4
145.10130	94.9
145.11284	5.1
147.08057	15.4
149.09558	6.0
151.06395	6.0
151.07544	58.2
153.09109	4.2
155.08594	7.3
157.10143	9.8
159.08072	6.8
159.11728	9.1
160.97426	4.0
161.09654	7.1
163.11192	66.6
165.09132	23.4
167.08603	4.5
169.10146	3.9
171.11674	9.4
173.09572	7.8
173.13188	4.4
175.11223	4.5
177.09171	7.0
179.07065	4.5
185.13286	3.9
187.11221	8.9
189.12796	12.5
191.14233	4.9
197.13232	5.2
199.14954	3.6
201.12689	3.3
203.14330	7.6
207.13681	6.1
215.14285	4.0
217.12114	5.9
221.15327	32.0
269.15387	5.6
286.19153	7.7
321.44049	3.1
325.21658	9.6
343.18756	7.1
343.22662	69.2
343.26788	3.5
344.23108	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.87712	2.0
53.03941	6.7
53.94307	2.2
55.01854	8.6
55.05516	17.3
57.03432	8.3
57.07076	10.4
59.04982	4.0
59.78995	2.6
62.82801	2.0
65.03922	3.4
67.05507	28.5
69.03416	11.2
69.07058	5.1
69.51471	17.6
71.05003	19.1
79.05495	28.1
81.03368	2.8
81.07053	33.0
83.04984	6.4
83.54282	2.1
85.06548	3.4
91.05483	44.7
93.07043	83.7
95.04969	64.0
95.08607	87.2
97.06528	15.6
101.53504	2.5
103.05432	4.2
105.07030	88.8
107.04969	3.9
107.07867	3.5
107.08589	53.4
107.78073	2.0
109.06515	20.8
109.10156	4.3
115.05442	10.5
117.07024	31.3
119.08575	28.9
120.12398	2.6
121.06487	16.5
121.10155	16.2
122.07284	3.5
123.08073	30.1
125.05935	2.9
128.06236	3.9
129.07004	7.5
130.07811	19.7
131.08539	8.6
133.06490	8.1
133.10121	16.0
135.08061	33.8
135.11685	15.6
137.05972	4.7
137.09579	4.7
141.07024	3.3
142.07767	6.4
143.08586	13.9
145.10127	100.0
146.10448	3.0
147.08060	18.7
147.11720	6.3
149.09587	7.7
151.07541	57.1
153.09166	4.1
155.08582	3.5
156.09277	3.7
157.10153	10.6
159.08086	3.9
159.11719	11.0
161.09628	8.9
161.13260	4.3
163.07588	2.6
163.11189	67.9
165.09084	24.6
169.10077	3.1
171.11700	6.6
173.09546	6.7
173.13254	4.3
175.11232	5.0
177.09097	6.9
179.07050	5.2
183.11742	4.7
185.13332	3.0
187.11177	5.9
189.09129	2.7
189.12695	14.7
191.10704	5.4
191.14389	3.3
193.10179	2.8
195.11687	3.5
197.11618	2.4
197.13200	3.1
199.11087	3.8
199.14754	2.4
201.12706	2.7
203.14285	13.8
207.10091	5.5
207.13852	7.2
209.15373	5.0
211.14801	2.2
215.14288	4.2
221.15373	29.2
233.15370	2.9
241.15971	2.9
243.13776	2.3
255.17468	2.5
263.16437	7.4
274.19104	2.5
286.19330	3.7
287.16489	3.5
287.19806	3.2
307.20508	2.8
325.21613	11.7
343.22681	68.6
344.23190	2.3
354.77649	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	343.1232
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
54.05121	20.2
64.17188	20.0
69.03434	22.7
84.52229	19.4
85.02905	86.9
96.84456	21.5
97.02859	31.6
109.02880	22.9
115.27756	19.2
119.04961	26.3
119.45709	19.4
127.03926	100.0
136.07591	47.8
138.40125	22.5
145.04994	47.6
191.82780	23.3
232.37007	24.7
344.09155	32.6
365.49356	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	343.1538
Annotation	Millinolol
Peak:m/z	Relative Intensity
53.03940	0.9
55.01855	2.2
55.05509	0.9
56.96563	0.8
59.04986	1.0
67.05492	2.3
68.99793	11.1
69.07058	1.2
71.58984	1.3
76.08053	0.7
77.03909	0.8
79.05487	3.7
81.07050	13.2
91.05458	5.3
93.07040	5.6
95.04968	1.9
95.08628	1.7
103.05456	6.6
105.07027	2.7
107.04966	4.7
107.08581	1.0
109.10194	1.0
115.84072	0.7
117.34867	0.8
119.04964	1.2
119.08585	1.5
121.06488	15.0
123.04430	12.2
128.06186	1.1
131.04916	3.8
133.06509	2.2
133.10168	1.3
133.79861	0.7
135.04411	24.2
135.05431	1.6
137.05983	2.9
140.74706	0.7
143.08574	1.3
147.04414	8.0
147.08046	10.4
149.05975	100.0
150.06303	3.3
150.67731	0.7
159.85139	0.8
161.05965	2.7
161.09608	3.3
162.06616	0.7
163.03807	1.0
171.08018	4.1
189.09099	25.4
190.09422	1.4
207.10156	75.8
208.10490	1.9
217.36237	0.8
257.76880	0.8
271.09662	7.2
297.11102	1.0
325.14362	0.9
343.11780	1.6
343.15390	5.1
343.22641	1.1
345.86795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05121	20.2
64.17188	20.0
69.03434	22.7
84.52229	19.4
85.02905	86.9
96.84456	21.5
97.02859	31.6
109.02880	22.9
115.27756	19.2
119.04961	26.3
119.45709	19.4
127.03926	100.0
136.07591	47.8
138.40125	22.5
145.04994	47.6
191.82780	23.3
232.37007	24.7
344.09155	32.6
365.49356	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	343.0811
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
53.03922	0.8
55.01867	1.6
55.05499	0.8
56.96546	0.3
60.37029	0.2
62.46719	0.2
65.03928	0.8
67.05506	1.4
68.99783	2.1
69.03406	0.8
69.07064	0.4
71.59556	0.4
73.19440	0.2
77.09153	0.2
79.05496	4.5
81.03407	0.7
81.07060	1.4
83.04956	0.4
83.08614	0.5
85.02883	0.5
89.03902	0.6
91.04958	0.4
91.05476	4.7
91.79075	0.3
93.03391	1.2
93.07080	0.4
95.01329	0.6
95.04967	3.5
95.08595	0.4
100.11253	4.1
105.03385	0.6
105.07005	0.5
107.04294	0.4
107.04958	6.5
107.08618	0.6
109.02913	0.4
111.04487	0.4
113.97709	0.3
115.05448	0.4
117.03362	0.5
119.04928	6.7
119.08517	0.3
121.02881	0.7
121.06449	0.4
123.04427	21.3
125.83578	0.3
131.04944	1.8
131.08577	0.3
133.06430	0.3
133.10133	0.3
135.04422	13.0
137.02327	2.1
137.05994	1.4
139.03902	0.6
143.04991	0.3
145.02846	1.2
147.04411	16.5
149.05968	1.0
151.03867	0.7
153.05470	0.7
159.04454	0.4
161.06000	1.1
163.03902	15.4
163.07515	0.5
163.11139	0.3
164.04396	0.4
165.05498	4.7
165.06891	0.6
167.07076	0.3
167.08589	0.4
175.03922	2.3
175.07469	0.3
176.06195	0.3
177.05432	0.6
179.03410	4.7
181.05025	0.4
187.03932	2.1
189.05519	0.5
191.03389	100.0
192.03857	3.2
193.04996	0.3
193.08618	0.4
195.08104	0.3
203.03384	4.9
205.04942	3.4
207.06487	0.3
209.05937	0.3
209.16432	0.6
215.03374	0.3
221.04431	6.4
221.06369	0.5
221.63892	0.3
227.17659	0.4
233.04413	3.9
251.07045	0.3
267.06580	0.3
269.08191	0.8
273.07581	0.4
281.08047	0.5
282.05197	0.5
282.08566	0.4
285.07657	0.3
287.09219	0.3
297.07562	2.7
299.09378	0.6
301.06897	0.3
307.06192	0.6
312.09891	3.9
325.07172	1.6
325.10690	0.5
325.18329	0.5
343.08124	17.4
343.11807	2.3
343.30661	2.0
344.08353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28770	3.4
55.01859	5.7
55.05502	10.1
57.07065	14.8
67.05498	27.0
68.67679	4.4
69.07068	9.4
69.47331	30.8
71.08609	3.8
79.05498	13.9
81.07050	23.0
83.04955	7.5
83.08631	3.9
83.76139	3.8
85.06519	4.3
91.05478	16.5
93.07059	12.8
95.04977	7.3
95.08588	11.9
98.20753	7.8
105.07043	20.6
107.04993	3.7
107.08588	16.3
109.10184	18.3
119.08561	5.7
123.11733	4.4
125.09631	9.1
133.10104	27.1
135.11668	4.1
137.09615	5.2
145.10138	8.7
151.11215	32.9
154.26006	3.5
162.30777	4.0
163.11133	5.6
174.18568	4.7
183.13826	4.6
186.55214	3.6
230.24855	4.0
275.20053	12.0
305.90192	4.1
334.32037	4.5
342.37338	100.0
360.78845	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22633	3.1
55.01865	8.1
55.04218	3.1
55.05260	5.3
55.05511	60.5
57.03451	4.6
57.07058	3.5
60.61420	3.1
61.07437	2.8
67.05511	20.1
69.03429	7.0
69.07076	29.8
71.09703	5.8
71.10037	3.4
77.50908	2.9
79.05499	33.8
80.73176	2.7
81.07071	19.2
83.08622	35.3
86.13068	2.9
91.05495	22.2
93.07040	19.0
95.08626	15.0
97.06525	6.2
97.10176	67.1
105.07030	17.7
107.04950	6.2
107.07867	4.8
107.08599	88.2
109.10152	4.3
111.08073	4.7
119.08601	13.6
125.09631	62.9
131.08574	6.7
133.10143	7.8
135.08058	14.3
145.10104	15.4
147.11624	6.0
149.09595	5.8
151.02824	5.8
153.09120	15.9
157.12265	8.0
163.11189	3.9
167.03436	9.2
168.03746	7.3
169.03874	12.3
169.10133	4.2
170.04095	6.4
181.12244	4.5
203.12790	100.0
204.13173	3.2
239.18001	4.1
257.19019	10.1
268.93414	3.1
275.20053	37.9
286.06729	6.1
289.21622	13.9
307.22638	6.8
312.54837	3.7
343.14621	4.9
343.18805	91.9
343.22745	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94257	2.6
53.18040	3.7
55.01869	6.2
55.05509	20.5
56.96555	4.6
57.03443	25.4
58.00161	2.8
61.78002	2.9
62.36723	3.0
65.75514	2.8
66.20520	2.9
67.05505	28.7
69.03416	7.7
69.07066	5.1
69.86924	17.4
69.87343	3.8
71.04984	4.1
73.02882	3.2
79.05482	21.6
81.03426	8.1
81.07054	17.1
83.04961	5.1
83.08620	11.9
91.05473	24.5
93.07042	25.5
95.04964	16.2
95.08591	12.0
97.06531	8.6
97.10172	13.7
99.23940	2.8
105.07028	15.6
107.04945	9.3
107.08598	12.7
109.06526	15.5
109.10162	10.6
111.08084	13.9
117.07018	3.8
118.70026	2.9
119.08601	13.4
121.06474	5.0
123.04459	3.2
123.08078	5.6
125.09635	12.5
131.08600	7.4
131.79953	3.2
133.10136	11.2
135.04436	3.4
135.08040	6.1
137.09653	17.7
139.06506	3.5
139.07536	100.0
139.08627	6.0
143.58655	3.6
145.10126	5.2
147.04449	8.8
153.09084	3.9
159.08078	6.1
159.11723	3.0
163.07451	3.1
177.09230	3.4
189.11208	11.4
219.13751	4.5
233.15396	5.6
271.16849	9.0
276.73380	3.3
289.17981	15.2
307.19116	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	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	25.1
56.17930	4.5
57.03434	33.5
57.07077	97.9
64.91242	4.4
65.25641	4.4
67.05505	41.4
69.07066	36.4
70.12148	12.4
70.12545	7.9
71.04996	12.1
71.08628	58.2
77.01588	4.1
79.05479	14.2
80.81785	4.5
81.07059	100.0
83.08618	25.6
85.06526	10.8
85.10183	41.5
89.06030	5.7
90.31741	4.6
91.05482	14.7
93.07043	56.1
95.04949	9.1
95.08611	97.8
97.10153	21.8
99.08101	5.8
105.07027	41.7
107.08601	50.8
109.03706	4.6
109.06505	13.4
109.10139	48.0
111.08085	11.1
111.11736	10.5
119.08588	76.4
121.10143	38.9
123.11682	23.0
125.13239	6.3
131.08566	19.5
133.10124	21.8
135.11665	18.3
143.08559	7.5
145.10120	24.4
147.11658	20.1
149.13260	26.4
156.01563	5.1
157.10202	11.4
159.11697	29.2
161.13300	22.6
163.14806	31.2
171.11685	12.9
173.13216	23.8
175.14905	9.2
185.13300	10.2
187.14774	22.4
189.16383	10.7
191.17929	8.8
199.14742	9.7
201.16324	11.7
204.30104	4.6
213.16344	15.3
215.17964	14.7
217.98706	5.7
221.68343	4.4
227.17947	20.6
229.19348	5.8
261.01901	5.7
267.21136	9.5
283.24222	36.1
285.27853	7.1
323.27316	48.4
341.27014	22.8
341.30350	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82742	7.6
55.05504	53.8
56.13885	8.5
57.07076	45.1
67.05489	30.9
69.07064	100.0
69.43431	77.1
71.08633	49.6
79.05488	13.1
81.07063	62.3
83.08617	71.7
84.53590	8.3
85.10168	23.4
91.05424	8.5
93.07034	29.7
95.08613	70.6
97.10181	46.5
105.07008	20.8
105.56687	7.4
107.08570	25.8
109.10124	32.4
111.11713	24.7
115.07549	9.1
119.08535	27.4
121.10140	16.1
123.11690	17.0
133.10106	26.3
135.11681	14.0
137.13246	11.3
147.11761	8.5
149.13243	14.0
161.13274	17.8
165.12700	12.1
173.13184	9.7
179.14229	9.1
276.51880	7.5
287.27307	10.0
341.26392	57.9
342.37454	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	341.1934
Annotation	Gly Lys His
Peak:m/z	Relative Intensity
70.43478	2.4
81.07071	0.9
91.05430	0.6
93.07047	0.8
95.08575	1.0
107.04955	3.5
119.08553	0.7
121.10110	0.6
129.06932	0.6
137.05949	1.1
138.21530	0.5
149.02245	0.6
152.76811	0.6
161.05975	1.0
163.03957	0.6
165.05466	8.0
187.07565	1.1
189.09085	1.1
203.06985	4.2
208.81409	0.5
221.11707	8.9
248.08203	0.7
279.34393	0.5
285.07834	0.9
309.16623	0.8
323.12851	2.1
341.19351	100.0
342.19720	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	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02188	2.7
52.91236	2.0
53.03940	5.4
55.01878	10.7
55.05511	35.8
56.43065	2.3
57.03437	4.3
57.07065	10.2
59.05008	4.9
62.04377	2.3
63.72430	2.1
64.78054	2.4
65.03931	3.3
67.05507	35.4
69.03422	13.8
69.07069	72.8
70.11387	9.9
71.04993	11.6
79.05501	24.9
79.60470	2.2
81.03403	6.3
81.07058	100.0
83.04990	5.6
83.08624	15.8
85.02914	2.6
85.06548	18.5
91.05403	13.0
91.84596	2.8
93.07047	44.4
94.32539	2.1
95.04983	9.2
95.08605	89.3
97.02918	4.1
97.06542	13.0
97.10173	29.3
99.08081	11.4
100.07561	2.5
103.05482	10.6
105.07037	23.0
105.69991	2.3
107.04960	15.8
107.08596	40.9
109.06503	4.6
109.10160	34.3
111.08084	60.9
111.11708	13.8
117.07051	3.1
119.04939	3.8
119.08578	16.0
120.03217	2.0
121.10141	32.1
123.04415	9.8
123.08050	4.5
123.11713	53.2
125.09624	8.4
128.06252	3.4
129.07030	5.8
131.04955	16.0
131.08578	5.8
133.06509	4.3
133.10123	15.5
135.04437	4.7
135.11667	15.4
137.05997	23.3
137.09547	3.0
137.13292	12.6
139.03922	5.3
139.11189	22.9
144.05702	2.7
145.06519	2.4
147.03128	2.9
147.04405	9.1
147.07965	3.6
147.11723	11.1
149.05905	2.7
149.13268	44.4
151.11227	5.8
153.12695	11.8
155.14320	3.6
156.10596	2.4
157.12224	11.1
158.99754	2.3
159.08040	5.6
159.11737	4.9
160.05174	2.7
161.05969	8.9
161.13280	8.2
163.07594	7.3
163.14859	9.3
165.05499	6.3
165.12790	4.4
167.07019	6.9
167.14365	3.6
169.12199	2.4
173.13350	3.6
175.07585	7.6
177.14636	4.8
177.16267	2.5
180.06499	2.3
187.07545	13.0
189.09055	4.0
189.16370	3.9
191.07068	3.8
191.08713	2.9
202.07892	2.7
203.08675	4.0
206.07307	3.4
211.07545	3.9
213.16353	2.8
215.10736	2.8
217.08609	5.6
219.08014	4.2
221.09798	3.9
221.11723	5.4
223.07477	3.2
223.16907	3.2
231.08015	2.8
234.06799	5.0
235.07544	3.3
238.09705	2.8
240.07880	2.3
249.09032	5.3
253.08711	4.0
262.06049	2.4
266.09418	3.5
269.07919	2.9
277.08609	4.7
277.25220	5.1
281.11789	11.7
287.23770	6.8
291.10168	5.2
295.09891	2.4
295.26288	2.5
305.24722	36.2
309.08115	2.3
309.11243	12.8
311.08978	2.6
323.12799	5.4
323.25864	15.4
341.13803	15.9
341.19424	4.6
357.80997	2.5
359.03094	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
55.05490	1.1
55.21275	0.8
56.96560	0.9
57.03419	1.1
67.01855	6.8
67.05487	1.2
68.99787	2.2
69.03452	1.1
69.07067	4.5
71.58677	1.3
73.10781	0.7
77.96875	0.7
79.05473	3.2
81.03442	0.9
81.07041	3.4
83.04948	0.8
84.00132	0.8
86.24799	0.8
91.05478	2.9
93.07030	3.4
95.04977	2.1
95.08603	2.4
99.04488	0.8
103.05458	1.0
104.23751	0.7
105.07040	3.0
107.04951	22.3
107.08598	1.5
108.05277	1.9
109.06532	1.7
111.00806	2.3
117.07060	1.1
119.04942	1.5
121.06526	4.8
122.03669	1.4
123.04420	3.2
129.06909	1.6
131.04979	2.0
133.06441	1.8
133.10159	1.1
135.04408	8.8
137.02362	1.1
137.05988	4.0
139.03865	3.7
143.08537	1.3
145.06419	3.8
145.10185	1.0
147.04366	4.4
147.08054	1.1
149.02348	1.4
149.05975	10.8
149.96950	0.8
151.03874	1.2
153.05467	1.4
157.06444	1.0
159.08081	1.2
159.11763	0.8
160.05154	1.4
161.05980	4.3
161.09647	1.5
163.03937	1.6
163.07622	1.1
165.05478	78.0
166.05827	1.5
167.03374	3.0
169.10071	1.7
171.08032	1.3
173.06000	6.2
174.06741	1.3
175.07581	4.1
177.05452	1.2
179.06848	0.9
183.08081	1.0
185.02319	0.8
185.05832	0.8
187.07556	3.3
189.05476	1.2
189.09103	11.9
191.10518	1.3
191.13692	0.9
197.05968	2.2
199.07558	0.9
201.05482	10.9
201.09152	0.9
203.06984	5.1
205.08626	2.3
211.07564	1.2
215.06990	1.8
215.10655	3.7
221.11714	100.0
222.12054	3.7
225.05426	1.2
230.83325	0.8
239.06943	1.5
241.08521	1.0
243.06554	2.1
255.06396	0.9
257.08228	1.0
267.06519	1.3
269.08011	2.2
279.06601	0.8
281.11676	1.3
285.07513	14.5
285.10577	1.0
286.07578	1.3
299.11963	1.3
309.14627	1.7
323.12747	2.2
341.13766	34.9
341.17056	1.7
342.14175	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	341.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23938	0.2
57.96655	0.2
58.06581	0.5
60.34522	0.3
71.57704	0.3
77.04947	0.3
85.24982	0.2
88.07616	0.4
96.72911	0.3
110.05066	0.5
110.05804	7.9
120.74376	0.2
121.65108	0.2
138.08913	0.3
139.81447	0.2
142.08630	3.1
182.05890	6.9
182.07887	100.0
183.08209	2.0
198.05307	1.5
200.09172	0.3
254.08618	0.5
272.09781	0.9
279.06253	0.3
341.16867	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	341.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43534	0.3
62.52298	0.3
63.02398	0.3
65.03928	0.6
67.30514	0.3
69.07061	1.2
69.61780	0.9
69.62201	1.2
70.22829	0.3
80.36412	0.3
83.45518	0.3
91.05470	10.4
91.06008	0.6
106.04180	0.4
117.06993	0.5
119.04945	17.2
121.06534	0.5
123.04421	1.0
137.05954	0.4
145.06436	0.6
149.05975	89.6
150.06332	2.2
159.11606	0.4
163.07541	0.6
173.09563	1.3
175.07529	1.2
199.44016	0.3
205.12233	100.0
205.89708	0.3
206.12585	2.6
254.99661	1.4
285.11182	1.5
341.17447	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	341.1381
Annotation	Brosimacutin D
Peak:m/z	Relative Intensity
65.03927	3.4
67.05503	1.5
70.93637	0.8
71.04044	2.3
79.05473	2.1
81.07058	1.9
91.05424	5.1
93.03424	1.9
93.07033	1.6
95.04975	1.2
95.08569	1.3
97.02879	1.1
105.03361	1.2
107.04929	5.9
119.04946	13.9
121.02857	1.7
121.06531	1.1
123.04447	6.5
128.06149	1.0
129.07025	1.6
131.01257	2.2
133.06517	1.7
135.04428	1.5
137.02328	2.7
139.03839	1.3
147.04410	35.5
147.08049	3.5
149.02339	23.6
149.05931	1.6
151.03889	2.8
151.11215	1.0
159.08144	1.1
161.02353	8.4
161.05962	3.4
163.03923	7.7
167.03404	54.2
169.06496	5.9
175.03787	2.3
175.07553	2.2
177.05519	1.7
184.73851	1.0
185.05974	1.8
187.07544	1.1
195.08182	1.2
197.05966	11.0
203.07034	36.7
205.08522	2.1
211.07561	1.3
215.10812	1.5
221.08044	11.5
222.08334	1.0
223.07523	1.5
239.07191	1.7
239.09819	1.2
251.07042	3.8
263.07034	1.7
269.08127	10.5
281.08002	3.2
285.07547	5.6
305.11710	1.9
323.12747	6.5
328.82281	0.9
330.65775	1.0
341.13818	100.0
342.14188	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	341.1382
Annotation	Arugosin I
Peak:m/z	Relative Intensity
53.00299	0.7
65.03938	3.7
67.01855	0.7
67.05484	0.7
69.07078	0.5
69.51565	3.0
79.72247	0.4
81.07045	0.6
93.03402	2.6
93.07047	0.6
95.04946	0.6
95.08582	0.4
98.20763	0.9
107.04940	2.3
108.05289	0.5
111.04362	0.4
119.08617	0.5
121.02857	2.6
131.01271	3.4
133.02870	0.5
133.06573	0.5
135.04431	0.5
135.31712	0.4
137.02304	0.7
137.05989	1.0
141.06999	0.8
149.02333	39.8
149.81705	0.4
150.02655	0.5
156.35374	0.4
159.11714	0.5
163.03841	0.6
165.05484	5.0
165.06982	1.2
167.03397	91.2
168.03761	1.9
171.04416	1.0
171.08128	0.4
183.08134	0.6
189.09184	0.7
197.06023	1.7
205.08594	100.0
206.08949	2.4
211.07550	3.2
213.05424	3.5
221.05983	0.6
221.11685	7.5
239.06950	2.7
267.06512	84.0
268.06833	3.2
285.07550	5.4
323.12769	4.6
330.30881	0.5
341.13837	3.1
341.24734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59711	3.2
53.03941	3.2
55.01862	2.7
66.04749	2.5
67.05498	3.5
69.03422	5.4
69.07088	2.1
69.77694	5.7
69.78108	9.7
79.05495	18.6
81.07047	6.7
91.05476	10.8
93.07055	4.2
95.04955	8.4
95.08628	2.9
97.02898	2.8
103.05450	10.6
105.07014	22.0
107.04955	34.1
109.06541	3.1
115.05449	9.0
116.06284	5.0
117.07013	3.3
118.04126	2.6
121.06518	4.8
122.03640	3.7
123.04414	9.1
124.05195	6.7
124.07604	2.8
125.05956	2.8
127.05385	3.7
128.06232	20.3
129.07002	67.1
131.04935	13.2
131.08539	7.7
132.05745	2.4
133.02870	2.6
133.06477	17.0
133.10123	2.5
135.04411	6.1
137.05968	34.8
141.06932	4.6
144.05713	14.4
145.06454	10.6
146.07248	2.6
147.04439	5.0
147.08067	3.1
151.03972	3.4
151.07512	4.1
152.04701	4.7
153.05536	12.1
155.04941	17.7
155.07072	2.9
156.05774	5.8
157.06493	2.7
159.08054	40.2
161.05972	37.5
161.09628	9.2
163.03853	3.2
163.07584	3.7
165.07011	5.3
167.07040	84.3
169.06430	2.6
171.04437	3.6
172.05202	4.7
175.07541	10.9
178.07785	18.7
179.03471	2.6
179.07011	9.3
179.08418	4.6
181.06432	4.2
184.10939	2.6
185.24623	2.7
186.06923	3.5
187.07533	100.0
189.07048	13.2
189.09090	9.8
190.07747	7.3
191.03439	5.4
191.08546	13.0
192.09235	3.1
193.06476	2.6
193.10164	7.6
194.07344	3.4
195.08047	7.5
202.07765	17.2
203.08588	23.7
205.06505	16.8
206.07278	29.3
207.08044	8.6
217.06490	10.7
217.08444	3.9
218.07289	8.5
219.08076	20.9
220.08797	11.1
221.09586	45.3
223.07521	10.8
231.08012	15.3
232.08827	3.1
233.06033	7.1
234.06744	30.0
235.07474	15.0
236.08249	3.2
237.09167	4.8
238.09772	3.2
239.06848	3.4
245.06023	4.6
247.07552	9.8
247.67163	2.4
248.08310	14.9
249.09084	50.1
250.09888	5.4
251.06981	25.8
252.07716	2.9
253.08569	3.1
253.12169	3.1
259.07446	4.6
262.06384	4.5
263.07013	6.1
263.10794	7.2
265.08606	15.2
266.09348	16.9
276.07806	4.4
277.08588	28.0
278.09259	4.7
279.06537	9.3
279.09982	5.2
280.11005	4.9
281.11722	86.1
283.09534	3.8
291.10034	9.8
293.08054	6.0
294.08868	15.7
295.09689	9.6
309.11185	97.3
310.11923	11.6
311.09198	14.1
313.06631	2.4
323.12827	7.4
326.11493	10.3
341.13718	70.9
342.14047	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	341.1382
Annotation	Crotin (chalcone)
Peak:m/z	Relative Intensity
55.01862	2.8
55.05512	1.9
56.96560	2.7
57.03431	1.5
58.28337	1.1
67.05489	2.8
69.07068	3.2
69.52687	1.2
69.97015	6.5
73.02914	1.1
74.38823	1.0
79.05482	3.5
81.07047	4.3
85.06541	1.3
91.05402	6.5
93.07039	3.7
95.04954	1.7
95.08583	1.6
97.06518	1.2
98.21475	1.6
100.72794	1.2
105.03453	1.6
105.07024	3.0
107.04953	3.4
107.08604	2.3
109.06529	3.4
115.33972	1.1
117.07043	1.2
119.04942	4.6
119.08581	4.0
121.06490	2.1
123.04401	1.6
129.07024	3.8
131.08560	2.5
133.02791	1.4
133.06483	1.2
135.08009	2.3
137.02374	1.7
137.05954	1.9
141.06998	2.0
147.04413	11.5
147.08055	7.4
149.02342	9.7
149.06013	1.6
151.03897	4.2
153.05460	1.2
157.06442	1.3
159.11772	1.1
161.02344	19.0
161.05956	7.2
163.03917	3.5
167.03403	33.2
168.03827	1.4
175.03963	3.4
175.07579	3.5
179.03433	1.5
185.05988	4.5
191.07054	2.6
203.07036	100.0
204.07407	1.4
205.08606	5.0
221.06023	1.2
221.08066	15.0
231.09143	1.5
239.07007	1.8
267.06525	2.2
269.08096	6.2
269.10541	3.0
281.08173	2.6
285.07635	3.1
285.11047	1.5
287.11734	2.8
299.09100	2.7
323.12750	31.6
341.10318	1.9
341.13794	12.9
341.24902	1.5
341.28516	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.74752	2.2
55.01860	5.0
55.05500	3.9
65.03930	4.2
67.05489	7.1
69.03407	4.3
69.07076	2.8
69.67447	8.5
69.67875	8.7
71.04975	3.9
78.35737	2.2
79.05474	10.4
81.03432	2.6
81.07044	10.6
83.08645	2.3
85.02946	3.0
85.06600	2.4
87.40135	2.2
91.05437	8.1
91.05891	3.8
93.07014	7.3
94.04166	5.5
95.04950	4.5
95.08595	6.4
97.02890	2.4
98.20864	5.1
98.97569	2.6
100.11210	2.7
103.05453	2.8
105.07025	8.8
107.04935	9.4
107.08617	5.1
109.02839	2.4
109.10162	4.9
111.04452	3.8
114.09154	2.4
115.05444	3.0
117.07005	4.1
119.04944	6.1
119.08591	5.2
121.06434	2.9
121.10126	3.6
122.03617	7.7
123.04424	6.4
128.06189	5.0
129.07001	14.8
131.04941	5.9
131.08534	2.3
133.02859	7.3
133.06459	6.7
133.10162	4.6
135.11688	2.2
137.05972	100.0
140.21336	2.3
143.04921	2.8
144.05647	5.3
145.06505	5.2
147.04384	7.6
149.05931	5.0
151.03848	5.2
151.07509	5.8
157.06419	6.5
159.08035	4.9
160.05162	4.5
161.05930	8.8
163.03836	2.9
163.07510	3.2
165.05455	4.1
165.06929	2.5
167.07034	10.3
172.05107	4.5
174.06804	7.7
175.07539	28.9
177.05461	8.1
177.09137	4.2
178.07817	3.0
179.06923	3.8
187.07532	34.8
189.09113	13.1
190.07878	2.9
191.03398	5.0
191.08527	5.7
196.05106	3.5
197.06136	2.3
199.07536	5.3
202.07777	4.6
203.06926	5.4
203.08554	11.5
205.06555	6.6
205.08553	3.5
206.07224	4.6
207.07886	2.4
211.07588	19.7
212.04738	2.6
217.06699	2.4
217.08557	11.3
218.07323	4.4
219.08040	9.3
220.08780	9.5
221.09624	6.9
223.07240	2.5
227.06963	12.8
231.08125	17.7
232.08839	3.8
233.09727	2.6
234.06783	4.2
235.07538	3.8
236.08356	3.0
237.09053	3.1
239.07037	14.9
240.07695	5.7
241.08394	2.8
247.07487	5.1
248.08292	21.5
249.09091	8.1
251.07080	3.7
251.10786	4.3
253.08669	3.5
255.06563	7.3
256.07330	7.4
259.07516	3.8
263.10736	18.5
265.08487	8.9
265.11487	2.3
266.09122	3.5
268.07196	3.7
270.08862	13.4
271.09604	27.3
276.07803	10.7
277.08539	7.6
279.09991	5.2
281.08585	3.6
281.11636	14.9
283.09692	7.1
291.10120	42.6
292.10730	4.1
293.08096	5.7
293.11426	2.3
294.08817	2.9
296.10379	4.5
297.11096	3.6
308.10486	5.2
309.11194	13.9
310.11850	2.7
311.12778	7.1
313.07022	3.5
313.14307	3.3
323.09195	3.6
323.12643	25.3
341.10037	4.3
341.13907	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	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01854	4.7
55.05512	18.9
57.07054	2.3
67.05502	6.3
69.03419	3.7
69.47694	16.9
71.04974	5.0
75.04738	2.5
79.00049	2.1
79.05499	10.8
79.38473	2.1
81.03395	2.1
81.07056	10.0
83.04959	2.2
83.08619	8.4
85.06569	3.4
91.05439	14.4
94.04202	2.6
95.01337	9.4
95.04984	5.1
95.08619	4.6
98.20753	4.8
100.07622	2.6
100.11257	47.0
101.11589	9.2
103.05440	5.1
103.60416	2.2
105.07040	8.4
107.04959	100.0
107.08595	3.4
107.76781	2.7
109.06543	2.4
109.10088	2.1
110.06081	3.0
111.04411	5.7
115.05445	5.7
117.06997	2.7
119.04963	6.1
121.06505	2.6
122.03648	6.5
123.04452	5.8
123.11629	3.4
128.06209	5.5
128.07118	2.9
129.06975	17.2
129.16678	2.3
131.04941	6.8
131.08559	2.9
133.02856	6.3
133.06499	5.3
137.02328	6.3
137.05983	65.4
144.05672	4.1
145.06500	7.0
147.04428	7.2
147.08064	4.3
149.05980	4.1
149.13292	3.2
151.03917	5.1
151.07544	4.7
153.05518	2.7
155.04938	4.9
157.06508	6.7
159.08014	10.8
160.05190	4.3
161.05963	12.2
161.09668	2.6
162.05482	2.8
163.07538	2.5
165.05496	9.3
165.06883	3.2
167.03525	2.8
167.07059	19.2
172.05217	5.3
174.06758	4.1
175.03958	4.7
175.07550	32.5
177.05493	5.8
177.09047	3.0
178.07750	3.3
179.07051	5.4
182.15443	11.6
183.15767	3.7
185.05978	3.0
187.07558	31.0
189.07108	2.7
189.09129	9.3
190.07840	3.1
191.08557	5.3
194.07256	2.7
195.08273	2.9
196.05217	3.4
199.07521	5.0
202.07841	8.0
203.06995	7.5
203.08594	9.2
205.06598	4.9
205.08661	3.4
206.07257	5.7
209.16534	3.6
210.14961	13.0
210.16693	3.8
211.07605	14.6
211.15309	6.4
213.05652	2.7
213.67953	6.8
217.08569	39.7
218.07159	3.8
219.08043	7.9
220.08755	4.3
221.06015	3.2
221.09656	10.9
223.07478	3.7
227.07056	4.9
227.17561	6.6
227.67746	9.4
231.08070	8.3
232.08702	3.1
233.06126	2.8
234.06784	7.4
235.07570	8.0
236.08319	2.7
237.09166	3.6
238.09746	3.0
239.07053	7.7
240.07892	7.8
247.07520	6.4
248.08284	10.6
249.09128	16.0
251.07056	7.6
251.10681	3.6
255.06631	2.7
256.07349	5.4
259.07568	4.2
263.06934	2.4
263.10660	9.3
265.08685	7.4
266.09253	3.6
270.08997	3.9
271.09634	24.7
274.80035	2.3
276.07779	8.1
277.08551	11.7
277.23019	8.7
279.06885	3.1
279.10220	7.6
281.11700	18.9
283.09781	6.3
291.10107	40.5
293.08081	6.1
294.08801	3.7
296.10846	2.5
308.10455	5.4
309.11237	20.9
310.11819	3.0
311.12854	6.0
313.14044	5.4
323.09164	4.6
323.12671	25.5
341.10184	3.6
341.13766	32.3
343.30634	5.1
344.30997	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	341.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88020	0.4
53.03954	2.2
55.01854	1.6
57.02458	0.5
57.03436	2.4
59.04992	0.5
61.02917	0.9
69.03429	12.6
70.65555	1.4
71.01351	0.6
71.04996	4.0
73.02901	1.0
75.93213	0.3
81.03418	15.9
85.02869	0.5
87.44038	0.4
89.03918	0.6
98.80888	0.3
99.04458	4.6
106.06522	0.6
107.04969	0.4
108.08073	0.5
117.03295	0.4
117.05489	1.3
118.83294	0.4
120.08075	1.3
123.04460	0.4
133.07611	4.5
134.06009	1.4
134.79503	0.4
135.09193	0.7
137.05980	0.8
161.07097	10.8
163.03883	1.5
163.08672	6.4
178.07378	0.9
179.03395	0.4
179.08138	1.4
189.06601	7.8
190.90675	0.4
191.08154	6.4
201.06702	0.5
207.07649	100.0
208.07957	1.9
221.09111	0.5
229.09734	0.6
231.11340	0.5
249.08739	1.0
287.10199	0.7
305.11328	1.8
323.12375	30.0
324.12704	0.5
341.13428	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	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.73239	0.3
57.03431	0.2
57.17463	0.2
61.02935	0.5
62.38951	0.3
67.52443	0.2
69.03435	1.3
71.05386	0.4
71.05731	0.5
77.00608	0.2
77.03879	0.3
79.05508	0.2
81.03415	0.8
83.51940	0.3
85.02908	1.9
89.03893	0.7
91.05791	0.4
92.17152	0.3
95.04981	0.4
97.02884	1.1
105.03371	0.6
109.02870	0.8
112.03857	0.2
114.84990	0.2
117.03374	0.3
123.04430	10.5
127.03912	0.6
133.01830	0.5
133.02856	10.7
135.04411	1.9
137.05975	0.4
151.03906	3.4
162.16345	0.3
163.03879	0.3
179.03397	100.0
180.03725	1.6
191.03392	0.5
207.07802	0.4
214.56355	0.2
221.04414	0.5
323.07669	0.3
329.26590	0.3
341.08527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01869	2.4
56.96549	0.5
57.03418	2.0
61.02903	0.9
69.03432	14.3
70.06562	0.5
70.80862	1.4
71.01339	0.9
71.05006	4.1
73.02905	0.6
79.05474	0.8
81.03421	15.2
81.07030	0.5
85.02897	0.7
89.03892	0.5
91.05770	1.6
99.04450	6.1
103.03909	0.5
106.06564	0.5
107.04929	0.5
117.05492	1.5
118.06446	0.5
123.04416	2.1
133.02840	1.6
133.07619	6.0
134.06006	1.7
135.04407	0.7
135.09181	0.7
137.05971	1.5
139.05049	0.6
151.03934	0.7
161.05809	0.9
161.07095	9.6
161.93372	0.4
163.03905	1.4
163.08664	6.8
175.03787	0.4
178.07390	0.9
179.01828	0.7
179.03401	11.8
179.08197	1.4
188.05739	0.4
189.06587	8.3
191.08186	7.1
195.11308	1.3
207.07654	100.0
208.07973	1.8
221.09195	0.6
231.07784	0.8
249.08835	1.0
305.11328	1.7
323.12369	28.2
324.12573	1.1
341.13452	20.5
342.13651	0.7
359.03110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02465	3.6
55.01868	6.2
57.03423	5.9
61.02913	5.6
61.32852	3.2
67.03028	3.9
69.03429	37.2
70.69183	4.0
70.72385	13.0
71.04966	5.7
73.02917	4.5
81.03423	27.6
85.02908	100.0
87.00837	52.7
97.02898	37.5
99.04443	11.9
105.01872	88.2
108.04502	6.8
109.02871	27.6
114.65240	3.9
124.95688	4.5
127.03922	74.1
129.01889	6.1
133.42924	3.4
145.04984	36.5
151.07849	3.5
159.02885	10.9
189.03874	3.9
192.16588	3.8
194.28264	4.0
213.04002	4.6
231.04964	17.2
269.49454	4.1
302.86911	4.4
339.58322	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	341.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
54.41140	0.2
55.01875	0.3
57.03431	0.2
57.52256	0.2
61.02913	0.4
69.03420	1.0
70.65437	0.5
70.65836	0.4
73.08416	0.2
77.03912	0.3
78.18142	0.2
79.05431	0.3
81.03412	0.9
85.02904	2.2
87.88825	0.2
89.03899	0.7
91.03886	0.2
95.04977	0.3
96.24344	0.2
97.02880	0.8
105.03355	0.6
106.67878	0.2
109.02921	0.3
117.03388	0.3
123.04425	10.9
127.03896	0.4
133.02847	9.5
135.04425	2.0
137.05859	0.2
145.05080	0.2
151.03888	3.4
179.03391	100.0
180.03763	1.1
207.07626	0.8
255.35843	0.2
257.04361	0.4
275.05554	0.2
323.12506	0.3
341.08588	0.5
341.12604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01870	7.0
55.97930	3.2
57.03439	5.1
57.99670	3.1
61.02925	9.0
69.03082	3.7
69.03432	42.6
69.84218	19.7
71.04997	3.8
73.02922	4.6
76.27526	3.1
81.03410	23.6
85.02903	100.0
87.00817	50.4
88.37669	4.0
91.05482	23.7
96.67526	3.6
97.02872	30.4
98.20837	4.1
98.40458	3.5
99.04461	15.6
99.46762	3.2
105.01862	94.1
109.02880	32.5
120.08104	12.2
123.01017	4.0
127.03913	80.0
131.04587	4.2
145.04950	42.4
147.04466	6.2
148.04750	9.4
152.48793	3.3
159.02919	12.6
186.02283	5.4
189.03955	6.0
223.09146	4.9
231.05092	17.8
249.06055	7.9
295.15720	3.3
297.81204	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	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03950	3.5
55.05511	48.7
57.03440	28.7
57.07076	21.6
63.44721	1.5
65.03916	2.4
66.85010	1.4
67.05505	35.5
69.07069	76.3
70.85707	3.4
71.04969	2.4
71.08627	11.0
79.05490	15.5
81.07059	36.1
83.04951	1.7
83.08619	39.1
84.17570	1.5
85.06522	2.2
85.10163	4.9
89.09220	1.3
91.05450	1.7
91.76525	1.5
93.07050	20.2
95.08607	38.7
97.06535	6.1
97.10171	27.6
99.08084	1.6
107.08604	11.2
109.10179	16.2
111.08085	5.2
111.11693	5.5
121.10148	18.8
123.11713	4.7
135.11705	15.1
137.13287	2.9
139.11165	2.8
146.56165	1.6
149.13309	7.3
151.14917	1.6
155.14299	1.6
163.14761	3.8
165.16393	1.6
167.03430	2.2
229.31770	1.5
247.24246	4.6
247.42851	1.5
249.23972	1.7
265.25287	6.1
339.28952	100.0
340.29147	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.92575	1.2
52.29254	1.3
53.03947	1.5
55.01878	13.9
55.05510	29.9
57.03431	3.3
57.07074	5.6
58.41403	1.2
59.05011	2.6
67.05505	15.7
69.03443	6.8
69.07071	45.1
70.08134	6.8
71.05000	3.6
73.06552	2.9
79.05483	11.3
81.03432	4.3
81.07065	47.7
82.84798	1.4
82.89056	1.1
83.04981	5.7
83.08627	5.8
85.06072	2.1
85.06551	31.3
89.58755	1.4
91.05485	7.9
93.07046	27.9
95.04962	8.0
95.08611	40.6
97.02894	5.4
97.06530	10.1
97.10172	43.0
97.10776	3.0
99.08104	9.5
101.06026	11.5
105.07015	14.5
107.04966	4.1
107.08595	20.9
109.06528	6.0
109.10158	16.9
111.08084	100.0
111.11723	8.8
112.08440	2.4
113.09609	1.9
116.98656	2.0
117.03389	1.7
117.07011	1.4
119.04958	1.9
119.08586	12.1
121.10143	21.9
123.08053	3.7
123.11695	14.1
125.09631	8.4
131.08578	4.5
133.10132	7.9
135.11679	11.3
137.05951	3.1
137.09637	3.4
137.13321	3.1
139.11185	28.6
143.10687	9.2
145.02924	2.8
145.10138	6.2
147.04419	2.5
147.11717	10.6
149.13275	5.0
151.11179	6.1
151.14825	1.7
153.12752	8.3
157.12248	15.3
159.11723	5.6
161.13272	5.3
163.11159	8.0
163.14886	1.7
165.09134	2.1
165.12749	8.9
175.03886	1.7
175.14830	2.5
177.05450	12.6
177.12729	2.0
187.07539	1.5
187.14804	3.3
195.17447	4.0
202.04584	1.5
203.07066	2.7
203.12772	1.7
205.15891	1.6
207.06490	4.2
215.07034	1.7
217.06450	1.6
218.07327	2.5
219.08055	4.2
219.10196	6.6
221.05919	1.5
223.16991	2.6
234.06641	1.4
235.07518	1.9
236.08313	1.6
246.06740	2.5
247.07700	8.7
257.22675	1.8
261.09143	1.7
264.07797	3.3
265.08423	1.7
267.21094	1.6
275.07159	2.4
275.23700	5.9
277.08621	2.1
279.10257	3.1
281.08005	2.1
285.22299	1.9
293.24738	2.4
303.23221	14.5
307.09647	8.0
311.12762	7.0
321.09778	1.7
321.24255	20.5
339.12473	9.9
339.15973	2.5
339.25293	3.7
340.12839	1.8
361.09439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.50795	1.0
53.03934	3.4
53.06542	1.1
55.01859	1.9
55.05511	46.5
55.61860	1.3
57.03447	1.9
57.07054	2.8
59.04984	1.6
67.05502	12.9
69.03423	4.8
69.07066	27.7
69.36937	8.4
69.37342	2.9
69.72369	1.1
71.04993	1.6
79.05503	5.8
81.03398	2.5
81.07057	34.8
83.04959	3.2
83.08606	6.4
85.02876	1.5
85.06547	5.7
88.92310	1.2
89.03916	1.9
91.05465	6.3
93.07049	14.7
95.04969	7.5
95.08609	36.0
97.02888	3.7
97.06526	3.6
97.10169	100.0
98.10529	1.3
99.08067	2.0
101.06021	2.8
105.07031	9.7
107.04933	3.4
107.08590	14.1
109.06500	3.5
109.10154	16.8
111.08076	8.7
111.11707	3.5
117.03356	2.2
119.04903	3.5
119.08597	9.0
121.06509	2.8
121.10142	13.0
122.10372	1.4
123.04469	3.1
123.08060	3.2
123.11706	7.3
125.09628	19.2
127.07513	1.6
131.04926	1.4
131.08575	1.9
133.06468	2.1
133.10117	3.5
135.08070	1.5
135.11699	6.8
137.05943	4.1
137.09608	4.5
137.13280	1.6
139.11168	7.5
143.09599	2.4
143.10672	35.3
145.02838	5.1
145.10120	3.3
147.04373	3.4
147.07928	1.3
147.11664	4.6
149.09613	1.7
149.13223	4.7
151.07538	1.7
151.11140	2.2
151.14828	2.4
153.12708	1.5
157.10124	2.0
157.12251	5.0
159.11699	3.9
161.13252	4.1
163.11139	2.0
163.14839	2.3
165.09125	4.7
165.12840	2.1
167.14221	2.0
171.10172	1.3
173.13260	1.4
175.03873	3.1
175.14882	1.5
176.14360	6.3
177.05481	9.5
177.12796	1.6
179.14296	3.8
187.07648	3.4
187.14716	1.8
189.11218	5.2
189.16478	1.3
195.13788	2.5
199.11121	1.4
207.06577	3.9
209.41602	1.2
215.07043	2.0
219.08208	2.2
219.10075	2.9
235.07603	2.6
236.08374	2.0
245.11839	1.6
247.07503	2.7
251.10718	1.2
263.07010	2.4
264.07904	2.9
275.23660	3.2
277.08612	1.3
279.10175	2.1
285.22055	2.1
293.24756	2.1
303.23151	9.1
307.09644	4.1
311.12689	5.5
321.11227	2.6
321.24203	26.9
339.12341	8.1
339.15900	2.0
339.25235	4.9
340.19006	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	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16264	4.4
53.03941	11.7
54.70911	4.2
55.01876	34.1
55.05517	35.8
55.53285	3.9
57.03179	4.9
57.03434	28.9
57.07077	8.8
58.89071	4.3
60.12113	4.0
61.05115	4.0
65.03938	6.3
67.05506	100.0
68.05830	13.4
69.07060	36.9
70.07420	6.2
70.29527	19.2
71.04995	6.6
79.05496	69.0
80.05793	4.8
81.03410	8.5
81.07056	85.4
82.07385	11.7
83.04979	33.7
83.08634	15.1
85.06535	9.2
88.07632	4.5
91.05482	78.2
93.07047	44.2
95.04969	68.1
95.08602	53.9
96.08933	10.7
97.02898	7.1
97.06551	13.7
97.10165	10.7
103.05454	6.0
105.07035	47.9
107.04955	86.0
107.08555	24.4
108.05735	6.7
109.06532	37.7
109.10158	17.5
110.10542	5.4
111.04445	7.4
111.08085	8.6
112.05222	10.5
113.05970	9.3
115.05455	6.9
117.07002	30.3
119.04974	9.3
119.08578	26.2
121.06512	16.9
121.10139	14.4
122.07291	17.0
123.04465	13.2
123.08064	10.6
128.06172	5.6
129.06996	8.6
131.08533	30.8
133.06468	29.3
133.10133	15.8
135.08087	18.4
135.11702	10.7
137.09654	7.1
141.07014	4.2
143.08586	12.2
145.06500	15.5
145.10127	21.9
147.08046	28.1
147.11647	11.4
149.02354	15.4
149.09663	6.0
157.10138	8.2
159.11710	10.9
161.09616	22.2
163.11162	9.1
165.09097	8.5
167.03410	10.8
169.10104	6.8
171.11700	17.8
173.13220	6.0
177.12643	5.3
187.14841	13.8
193.04971	16.9
197.13266	8.3
215.14268	10.8
224.65659	8.8
233.15390	74.4
253.00056	13.6
256.26300	7.6
265.17932	22.7
273.18652	9.5
289.17972	5.6
290.18716	5.9
339.27911	65.5
339.77899	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	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.9
55.01871	8.0
55.05274	3.2
55.05511	49.5
56.05831	8.7
57.03436	23.1
57.07073	3.0
58.03753	5.0
59.05007	3.3
65.03942	5.2
67.05506	100.0
68.05833	16.2
69.03431	3.1
69.07075	33.1
69.14588	2.4
70.07392	8.2
71.04993	26.4
79.05490	47.1
80.05820	6.9
81.03416	31.7
81.07058	98.0
82.07395	22.5
83.04975	33.4
83.07723	4.4
83.08620	21.2
84.08942	6.4
85.06533	5.4
91.05478	45.8
91.92633	2.9
92.05814	6.1
93.07043	52.3
94.07387	5.1
95.04980	23.3
95.08606	60.8
96.04489	50.7
96.08930	22.9
97.02887	2.7
97.04810	15.1
97.06533	12.9
97.10168	14.3
98.10490	4.2
99.04459	3.4
99.08064	3.1
101.06044	3.4
105.07030	32.4
105.41504	2.0
106.07390	3.9
107.04961	31.1
107.08582	23.7
108.08942	3.8
109.02913	6.2
109.06507	19.4
109.10152	21.0
110.03129	2.9
110.10509	12.6
111.04449	3.3
111.08096	7.8
111.10840	2.6
113.05965	3.1
115.05412	3.4
117.07027	18.7
119.04937	5.1
119.08591	20.8
120.08939	3.9
121.06495	10.4
121.10126	11.6
122.10461	2.9
123.04425	4.5
123.08064	11.6
123.10898	2.9
123.11716	8.0
124.12074	3.9
125.05984	3.8
125.09636	8.4
125.12346	2.9
128.06201	2.6
129.07008	13.9
131.04869	3.6
131.08601	20.1
133.06488	9.6
133.10130	19.5
135.08083	11.7
135.11685	13.8
137.09630	7.0
141.06956	5.8
143.08556	7.6
145.06512	11.2
145.10114	9.3
147.08052	6.4
147.11745	11.2
149.09642	6.2
149.13255	8.4
151.07564	3.8
152.15256	2.3
153.09131	3.1
155.08571	3.8
157.10114	9.1
159.08096	8.8
159.11768	14.4
159.12836	2.4
161.09615	9.9
161.13272	6.6
163.07652	3.5
163.11211	5.1
165.09125	2.4
167.03380	17.8
169.10135	6.3
171.11688	10.4
173.09608	6.3
173.13313	2.9
175.11205	7.6
175.12630	2.5
177.09192	2.6
177.12790	7.5
179.14325	2.3
183.10190	2.5
183.11671	2.5
185.13312	3.6
187.11212	7.6
189.12724	5.5
191.14310	4.6
197.13046	2.4
201.05464	2.9
201.12770	3.7
202.05919	3.2
205.12219	5.3
207.13808	5.6
215.11020	2.3
215.14447	4.4
219.13783	3.6
233.15337	8.8
235.13278	2.6
237.14848	5.0
243.17575	5.0
244.10434	3.9
247.23248	2.9
253.16064	3.3
261.18591	7.8
263.16556	4.1
265.24405	6.1
271.16943	17.6
283.05930	5.3
289.17978	37.5
303.19504	22.4
321.20615	9.6
332.53589	2.5
339.22092	6.0
339.28024	82.1
350.97748	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97766	0.6
53.00303	0.8
53.03938	1.6
54.92484	0.7
55.01871	1.3
55.05507	5.9
57.03438	3.4
57.07073	1.1
65.03928	3.1
67.05177	0.8
67.05505	13.0
68.99831	0.8
69.03421	1.7
69.07081	3.8
69.48145	3.9
69.48553	1.6
69.54227	0.9
71.04977	2.7
73.02916	0.7
79.05497	9.9
81.03410	3.8
81.07063	13.0
83.04974	6.9
83.08612	2.2
85.02879	0.9
85.06555	1.6
91.05477	7.7
93.03411	2.4
93.07047	10.8
95.04974	5.2
95.08608	8.9
96.04498	1.4
97.06554	4.5
97.10148	1.7
98.21513	1.5
105.07030	6.9
107.04958	8.6
107.08585	6.9
109.06499	2.1
109.10159	4.9
111.04451	1.5
111.25453	0.7
113.06004	0.8
117.07012	2.7
119.04927	0.9
119.08605	3.6
121.02858	2.9
121.06478	1.3
121.10155	4.1
123.04415	1.0
123.08060	1.7
123.11685	1.9
125.05957	1.3
129.06999	1.9
131.01306	3.8
131.08583	3.8
133.06520	1.9
133.10118	5.2
135.08044	1.6
135.11668	2.9
137.05942	1.0
143.08580	0.7
145.06483	1.1
145.10130	2.7
146.08099	0.8
147.11674	2.2
149.02327	21.4
149.09605	1.8
149.13263	1.2
151.11211	1.5
157.10115	0.9
158.12927	0.9
159.08046	1.4
159.11720	2.6
161.09598	1.3
161.13393	1.1
163.11186	1.8
165.09195	1.0
167.03403	100.0
168.03777	2.5
169.10057	1.1
171.11754	1.5
173.09503	0.8
173.13226	1.5
175.11186	1.2
177.05499	2.0
177.09038	1.7
177.12778	1.3
179.14529	0.9
187.11281	0.9
189.12842	1.0
195.11597	0.9
203.06999	4.7
205.08571	3.0
206.80211	0.8
233.15314	1.9
237.14569	0.9
242.36591	0.7
247.20639	3.7
261.18420	1.9
271.16898	1.7
283.06024	30.8
284.06427	1.7
289.17981	8.1
307.19083	2.1
321.20810	1.1
339.12247	10.4
339.15817	1.3
339.18909	0.9
339.27869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.3
55.05495	8.5
56.96545	3.9
57.03437	2.3
65.03914	2.9
67.05489	8.5
69.03434	4.8
69.07054	8.1
69.37874	20.8
79.05476	12.7
81.03413	5.1
81.07054	11.1
83.08607	4.2
85.02872	3.3
91.05489	12.2
92.32143	2.5
93.03380	2.8
93.07026	10.4
95.04951	7.9
95.08592	8.3
96.04482	5.7
97.02882	8.9
97.04810	2.2
97.06551	2.8
97.10153	3.6
103.05486	4.6
105.07037	7.0
107.04298	3.1
107.04958	41.0
107.05635	4.6
107.08580	6.1
108.05264	4.6
109.02930	3.1
109.06540	4.6
109.10154	4.1
111.04431	2.9
115.05421	4.1
117.06992	4.0
119.04948	23.9
119.08575	5.9
121.02866	4.2
121.06522	8.0
123.04385	5.4
125.09560	2.8
128.06201	3.3
128.75832	2.3
129.06940	3.5
131.04924	6.5
131.08568	9.3
133.06477	4.8
133.10133	3.0
135.04445	2.5
135.08029	4.2
137.02328	3.2
137.05969	4.2
139.03880	6.1
143.08585	2.6
144.05681	3.7
145.06490	4.2
147.04385	7.5
149.02341	4.5
149.05965	6.5
152.06180	3.3
153.05464	4.4
157.06487	3.7
157.10158	3.3
159.08101	16.2
161.05977	7.1
161.09499	2.5
163.03954	11.2
165.05576	2.6
165.06906	2.3
167.03398	16.8
167.08490	3.5
169.06503	3.2
171.04385	3.7
171.08043	5.3
173.05968	3.6
173.09627	3.6
175.03938	3.7
177.05484	16.9
181.06526	3.4
185.05977	5.6
185.09613	5.4
186.06709	4.1
187.07542	44.0
189.05424	11.1
189.07016	4.6
190.07774	3.0
191.06987	3.8
191.08638	4.6
193.06540	2.4
195.08066	6.4
198.06769	4.5
199.07568	3.6
201.08971	6.4
203.07028	4.6
203.08711	2.9
204.07742	3.2
205.06416	2.7
207.06490	7.1
207.08186	3.7
208.08835	2.4
213.09062	12.7
215.07025	10.4
218.07217	2.7
219.08072	10.5
219.10126	100.0
220.08791	4.1
220.10715	3.3
221.05966	5.2
229.08549	7.5
230.09352	5.6
235.07590	10.8
236.08296	8.2
237.09058	3.0
245.11842	19.6
247.07545	6.9
249.05582	3.3
249.09309	2.8
251.10661	9.5
253.08725	3.1
263.06998	2.8
264.07849	11.4
265.08521	6.4
267.10187	7.0
278.09308	3.7
279.10220	13.9
280.10779	3.7
281.08069	6.2
283.05896	10.6
292.07269	3.7
293.08029	4.0
297.07697	5.6
307.09573	18.3
307.13135	5.7
308.10272	6.8
309.07434	3.7
309.11047	7.4
311.12869	13.5
321.11105	3.6
324.09705	4.9
324.13217	4.7
339.12210	47.2
339.15964	20.7
339.22879	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	339.159
Annotation	Bavachinin
Peak:m/z	Relative Intensity
52.19480	1.8
53.03947	2.3
54.17984	1.8
55.01871	3.3
55.05507	4.3
57.03428	2.1
58.26250	2.0
61.42839	1.8
65.03909	1.9
67.05509	10.8
68.52421	2.1
69.03418	4.4
69.07066	9.5
70.19155	4.0
70.19572	6.3
79.05492	6.5
81.03421	5.1
81.07063	10.9
83.08623	3.8
84.27492	2.1
91.05491	13.7
92.44698	2.0
93.03408	3.8
93.07041	10.1
95.04963	4.9
95.08590	7.2
97.02887	7.9
97.10164	4.3
103.05491	2.3
103.71033	2.0
105.07034	6.7
107.04947	18.6
107.08600	5.3
108.16763	2.0
109.02864	2.0
109.06504	4.4
109.10158	6.4
111.04409	2.4
115.05437	2.4
117.03462	2.4
117.07024	3.8
119.04942	26.5
119.08567	4.9
121.06512	10.3
121.10130	4.4
122.79534	2.2
123.04431	4.3
123.11681	8.4
128.06223	2.5
129.07001	6.9
131.08562	9.2
133.06505	5.9
137.02330	3.5
137.05966	4.6
141.06944	6.3
142.07794	4.7
143.08580	4.5
145.02722	2.0
145.06535	3.7
145.10152	4.5
147.04381	6.4
149.05956	7.1
151.03923	3.3
155.08466	3.6
157.06441	7.0
157.10146	4.0
158.07262	3.4
159.08066	21.2
161.05975	7.8
163.03914	8.7
165.09100	4.0
167.03384	5.5
167.08565	4.1
171.07986	3.3
173.09642	4.8
175.03865	6.3
175.07454	3.3
177.05457	27.1
181.06334	2.0
185.05991	4.5
185.09645	6.3
187.03842	2.3
187.07545	68.7
189.05493	9.4
191.06923	2.7
191.08652	2.4
195.08130	4.4
199.07587	2.1
201.09047	5.6
202.06184	2.3
203.07024	33.4
203.10660	4.2
207.06549	5.5
213.09082	16.3
215.06970	10.9
219.10155	100.0
223.07504	2.5
229.08539	2.8
230.09433	4.7
245.11726	19.2
247.07652	2.4
251.06902	3.9
264.07843	2.6
267.09390	2.3
269.08035	5.3
271.09595	3.8
279.10123	4.4
279.13654	2.6
283.06128	2.8
283.09512	2.5
296.06955	3.2
297.07574	2.9
307.09680	9.1
307.13208	6.1
309.10944	10.1
311.12787	6.7
321.11194	4.9
324.13089	5.0
339.12192	26.2
339.15945	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	339.1588
Annotation	Bavachinin
Peak:m/z	Relative Intensity
52.20052	1.6
55.01874	3.0
55.05501	4.4
55.12568	1.5
56.96566	2.6
57.03443	2.9
59.04980	1.3
59.21506	1.4
61.02940	1.8
62.75470	1.5
65.03931	3.2
67.01840	1.9
67.05504	10.6
69.03423	6.6
69.06782	1.4
69.07069	17.1
70.31096	3.3
71.04988	1.7
73.02896	1.5
79.05489	7.4
81.03410	6.2
81.07066	8.4
83.01341	2.8
83.08620	2.3
85.02893	2.9
91.05475	11.3
93.05241	1.6
93.07041	6.9
95.04958	6.1
95.08620	6.0
96.04491	4.8
97.02885	4.9
97.10174	2.1
103.05463	5.8
104.78746	1.3
105.07034	8.7
107.04958	28.2
107.08615	3.6
109.02849	2.8
109.06553	4.0
109.10137	2.8
110.30174	1.6
111.04467	2.2
111.08064	2.8
112.03957	5.3
115.05438	2.6
116.06261	1.7
116.98598	1.9
117.07005	3.1
118.04123	1.6
119.04930	9.9
119.08579	3.3
121.02868	4.1
121.06477	5.8
121.10162	2.5
123.04424	27.0
123.08037	1.9
125.09627	1.9
127.03941	3.7
128.06218	2.5
129.06989	3.7
131.04930	53.0
131.08559	4.7
132.05768	7.3
133.06473	16.8
133.10138	2.9
134.99586	1.7
135.04417	1.5
135.11737	1.8
137.02357	4.8
137.06001	4.7
139.03915	1.9
141.06990	2.6
142.07918	2.0
143.08537	4.2
144.05740	3.0
145.06471	10.5
147.04411	7.2
149.02335	9.0
149.05978	3.4
149.13223	1.6
150.58255	1.5
151.03935	2.4
151.07539	4.1
152.06131	2.2
153.06941	2.4
153.09116	1.6
157.06535	10.5
157.09998	1.7
158.07283	2.0
159.08115	8.1
159.11667	2.3
161.02327	4.1
161.04803	1.6
161.05966	9.4
161.09647	1.8
162.03098	2.4
163.03883	4.1
165.05484	3.3
165.07008	3.7
166.07797	2.6
167.03413	46.7
167.08540	4.4
168.03658	1.7
169.06519	2.6
171.04478	3.9
171.08061	1.8
172.05225	1.9
173.05983	3.2
174.06657	1.5
175.03865	2.3
175.07567	4.1
177.05490	18.2
177.06909	2.7
178.07722	2.2
181.06476	4.1
183.08020	3.5
184.08867	4.4
185.06044	10.8
185.09605	2.2
186.06375	4.7
187.03972	2.4
187.07564	10.5
189.05476	13.7
191.08569	2.7
194.07233	10.0
195.08058	11.5
197.06010	8.0
197.09834	1.6
199.07460	3.1
200.11615	1.5
201.05563	2.0
201.09113	3.6
202.06212	1.8
203.07018	19.5
204.07687	6.0
207.06412	2.1
209.09601	8.9
211.07610	10.5
212.08215	7.8
213.09102	3.3
215.06975	2.8
219.10158	100.0
220.10489	2.8
221.09511	1.7
222.06816	3.5
223.07574	9.4
225.08958	1.8
227.07123	2.2
227.10614	4.0
228.07701	2.3
237.09149	7.1
239.07007	5.5
240.07831	9.0
241.04736	1.6
245.11800	8.0
246.06728	2.4
251.07007	5.1
255.06541	4.0
255.10165	5.6
256.07272	5.6
264.07983	1.4
265.05106	1.6
265.08478	2.1
267.09485	1.4
268.07346	10.7
269.08047	6.7
270.08804	3.0
271.09540	3.0
278.09296	1.8
279.06409	2.3
279.13760	2.3
283.06085	11.7
283.09619	77.2
284.06808	20.4
284.09729	2.6
285.07571	14.2
293.11630	3.2
296.06833	3.4
297.07425	3.9
297.11035	3.3
306.08963	2.5
307.09634	4.1
307.13272	16.3
311.12756	4.8
321.11108	3.9
324.09698	2.0
339.12195	31.3
339.15945	23.4
340.12756	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	339.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.5
55.05499	8.0
56.96566	3.2
59.04984	2.8
64.07339	2.4
65.03925	3.6
67.05511	26.4
68.99808	3.7
69.03427	5.9
69.07069	11.2
69.30238	3.0
69.43187	24.9
79.05496	18.9
81.03414	11.2
81.07055	29.1
83.04978	4.1
83.08593	6.5
85.02888	4.4
91.05473	23.0
93.07034	21.5
95.04970	7.3
95.08599	18.0
96.04492	60.2
97.02891	13.0
97.04823	18.9
97.06498	3.5
97.10188	5.8
98.20764	4.0
103.05485	2.5
105.07018	12.0
107.04964	38.1
107.08598	9.7
108.05299	7.3
109.02914	16.0
109.06507	3.5
109.10115	13.7
110.03215	4.2
111.04404	6.0
111.08054	10.8
115.05433	6.1
117.07009	9.5
119.04943	24.2
119.08578	9.6
121.06490	10.3
121.10163	6.0
123.04436	4.6
123.11665	4.7
125.09624	3.7
127.03923	3.3
128.06207	3.8
129.06966	8.1
129.18527	2.5
131.02309	3.1
131.04907	5.5
131.08559	12.4
133.06464	6.2
133.10133	9.4
134.06932	3.4
135.04442	3.6
135.08066	5.8
135.11699	3.3
136.07562	7.5
137.02368	3.4
137.05986	5.9
137.07898	5.5
141.07004	3.3
143.08525	7.5
145.02834	3.2
145.06464	3.8
145.10112	6.1
147.04372	7.5
147.08037	3.2
147.11728	3.5
149.02151	2.7
149.05951	6.0
149.13292	5.9
151.03896	5.6
151.07607	2.6
153.05429	4.5
153.07013	2.7
153.09090	3.1
155.08504	3.2
157.06529	7.1
159.08047	22.2
159.11668	6.5
161.06007	8.8
163.03903	6.6
165.05502	2.8
165.06976	4.2
167.03346	4.2
167.08568	4.0
171.04355	4.1
171.08113	4.8
173.05957	7.7
173.09642	4.0
174.06528	4.4
175.03934	7.9
175.07544	7.1
177.05460	23.7
185.06013	5.0
185.09569	6.0
187.07553	45.2
189.05449	12.4
189.09138	3.6
189.11162	4.1
191.07039	6.4
194.07281	3.3
195.08044	8.2
197.06236	3.1
198.06723	3.5
199.07567	17.9
201.09026	5.5
202.05859	5.7
203.07111	5.9
204.07802	5.2
207.06494	8.3
213.09065	7.8
215.07005	7.3
215.10452	3.5
219.08202	3.8
219.10144	100.0
223.07532	4.3
225.09247	3.6
227.07024	7.4
229.08560	5.2
230.09413	3.0
237.09091	4.3
241.08678	4.6
243.10081	3.2
244.10510	7.2
245.11705	24.0
247.20580	8.9
249.05521	3.1
249.14481	2.9
251.07043	9.1
251.10646	4.1
264.07791	6.2
267.10117	5.3
269.08246	4.5
271.09680	4.2
279.06592	5.6
279.10150	2.8
280.07187	3.2
282.05191	6.6
283.06009	20.3
289.17990	5.7
296.06866	8.5
297.07578	37.4
307.09778	6.4
307.13150	6.8
307.65900	2.6
309.07455	6.1
309.10956	3.5
311.12756	7.9
321.11008	4.8
339.12204	48.4
339.16064	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	339.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81814	0.4
55.01866	0.8
55.05503	0.9
57.03421	0.5
59.04993	0.5
60.33783	0.3
67.05510	1.9
67.63363	0.4
69.03413	0.5
69.07059	0.6
70.25269	0.7
70.25673	0.9
78.71484	0.4
79.01881	0.4
79.05473	1.4
79.40568	0.4
81.03400	0.5
81.07040	2.0
81.30361	0.3
83.04994	0.5
83.08575	0.4
91.05466	2.4
93.07031	1.1
95.04963	0.9
95.08608	0.7
97.06510	0.6
97.10187	0.4
103.05437	0.7
105.07014	1.5
107.04969	1.1
107.08592	0.8
109.06522	0.4
109.10113	0.8
111.04430	0.6
115.05435	1.1
117.07027	1.1
119.04940	1.3
119.08567	1.0
121.06495	0.8
121.10121	0.7
123.04411	3.6
125.09599	0.8
128.05276	0.7
128.06219	14.5
129.06996	0.7
131.08543	0.7
133.10114	0.5
135.08090	0.5
135.11665	0.4
141.06990	1.0
142.07770	1.2
143.08556	25.2
144.08916	0.4
145.06488	1.6
145.10126	1.5
147.04391	0.5
149.05966	2.6
155.06091	0.4
155.08525	0.8
158.07230	0.6
159.08049	0.8
160.08810	0.7
161.05974	0.8
161.09656	0.5
163.11208	0.8
170.07309	0.7
171.08038	53.1
172.08551	1.4
173.02336	0.8
173.05957	2.6
173.09599	3.6
175.07565	0.4
175.11154	0.4
179.08533	0.6
181.12083	0.5
185.09605	9.3
188.08304	1.3
189.09082	0.9
191.10645	0.6
203.10658	100.0
204.10951	1.8
212.21353	0.3
213.05376	0.8
227.12910	0.6
229.12209	0.7
255.06573	0.6
256.07303	0.7
271.16751	0.5
277.95331	0.4
283.06039	3.9
284.06708	1.5
289.17966	0.6
297.07492	1.0
311.12643	0.9
339.12198	5.4
339.15970	2.0
340.12488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.159
Annotation	4'-O-Methylbroussochalcone B
Peak:m/z	Relative Intensity
53.03945	0.9
55.01875	0.3
55.05507	0.9
64.12419	0.2
67.05502	0.6
69.07085	0.6
69.44512	1.6
69.44920	0.6
79.05501	1.7
81.03397	0.3
81.07049	0.7
85.12898	0.2
91.05461	0.6
93.07033	0.4
95.04960	1.7
97.06565	0.4
103.05450	0.3
105.04507	0.3
105.07029	0.6
107.04953	100.0
108.05297	0.7
109.10075	0.3
115.71406	0.2
117.07001	0.4
119.08599	0.5
121.06522	0.9
123.04486	0.4
125.06011	0.4
131.04936	0.6
131.08534	0.4
131.70718	0.3
133.06558	0.3
135.08105	0.3
144.83012	0.3
145.06493	1.1
145.10147	0.4
147.04430	1.6
149.06004	0.6
157.06433	0.3
159.08073	0.8
160.05141	0.7
161.05983	0.4
163.07509	0.3
165.05544	1.2
169.10153	0.6
173.05922	0.5
173.09645	0.3
175.07556	0.7
177.05470	2.2
179.08607	0.2
185.05933	0.4
187.07613	0.4
191.06984	0.5
191.10689	1.1
197.09656	0.7
203.07034	2.3
215.10670	2.4
233.11720	34.6
234.11998	0.6
271.16977	0.4
271.36328	0.3
283.06094	0.3
289.17960	0.4
321.14865	1.3
339.15903	12.2
340.16202	0.5
347.09644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1551
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
53.35825	0.7
55.01886	1.0
56.15691	0.7
56.96577	0.7
57.07012	0.8
61.47046	0.7
62.15866	0.8
68.32143	0.7
69.03414	1.8
69.73000	1.8
69.73415	4.0
72.60442	0.8
73.02926	1.4
79.05434	0.8
79.23400	0.9
83.04977	0.9
85.02917	0.8
89.03926	1.9
91.05441	4.3
104.72424	0.8
117.03370	0.9
119.04958	8.7
123.04420	2.9
124.78992	0.9
129.89732	0.9
134.23994	0.8
135.04425	1.4
145.02824	1.8
147.04413	31.0
148.10065	0.8
153.08830	0.8
158.61394	0.8
161.10808	1.6
163.03905	6.3
165.05449	1.9
173.10866	1.0
174.11575	0.9
177.05447	2.1
187.12308	2.2
188.13095	2.1
189.10228	2.5
198.61263	0.8
200.09421	3.4
201.10226	3.6
203.11772	0.9
207.11285	14.7
214.11020	2.4
215.08194	1.0
215.11826	4.2
216.12560	2.1
218.10527	2.4
219.11298	6.6
220.12067	3.9
221.12837	1.4
229.13370	9.4
233.09190	2.3
233.12894	5.5
234.13687	1.3
247.10756	1.9
247.12067	1.0
247.14447	9.8
248.11552	0.8
257.12863	11.1
262.13071	2.0
265.11768	1.8
275.13962	10.2
277.15466	2.2
285.12418	2.8
286.10526	0.7
293.14978	5.5
303.13379	17.1
321.14459	36.0
339.15506	100.0
340.15933	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.21027	1.2
60.14409	1.4
65.03938	2.9
67.67231	1.3
69.03429	1.9
69.52657	2.6
69.53059	9.2
70.06612	1.6
74.87285	1.3
83.04994	2.6
85.02912	1.7
88.95415	1.7
91.05482	24.5
93.07043	1.7
97.02880	1.9
111.04395	1.7
116.98698	1.7
117.03379	2.7
119.04948	28.9
120.08086	2.4
127.03947	2.5
137.05948	2.3
145.02861	6.9
147.04411	100.0
149.06006	2.0
160.17970	1.5
165.05569	1.8
177.05482	14.8
219.03023	3.0
254.34320	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21027	1.2
60.14409	1.4
65.03938	2.9
67.67231	1.3
69.03429	1.9
69.52657	2.6
69.53059	9.2
70.06612	1.6
74.87285	1.3
83.04994	2.6
85.02912	1.7
88.95415	1.7
91.05482	24.5
93.07043	1.7
97.02880	1.9
111.04395	1.7
116.98698	1.7
117.03379	2.7
119.04948	28.9
120.08086	2.4
127.03947	2.5
137.05948	2.3
145.02861	6.9
147.04411	100.0
149.06006	2.0
160.17970	1.5
165.05569	1.8
177.05482	14.8
219.03023	3.0
254.34320	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1227
Annotation	Crotalarin
Peak:m/z	Relative Intensity
53.00325	0.3
55.01858	0.3
65.03947	2.7
66.11678	0.2
67.05489	0.5
69.03410	0.2
69.88764	0.8
71.05005	0.2
79.05483	0.4
81.03416	0.3
81.07060	1.2
83.04977	0.3
91.05476	0.2
93.03407	2.0
93.07034	0.6
95.01339	0.2
95.04956	0.2
95.08598	0.3
96.04470	0.2
97.04845	0.2
105.07014	0.3
107.04935	0.5
107.08585	0.2
109.06492	0.5
109.10210	0.2
111.04440	0.4
121.02862	2.4
121.10120	0.2
131.01282	4.2
135.04404	0.1
149.02341	33.6
150.02687	0.6
164.81573	0.2
167.03400	100.0
168.03735	2.3
169.03781	0.2
177.05504	0.2
205.08592	3.3
283.06018	32.3
284.06296	1.3
289.17828	0.2
339.12268	10.6
340.12549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
54.12657	1.2
55.05268	2.0
55.05511	30.8
56.05850	8.8
57.03437	21.1
57.07068	7.4
58.03761	3.8
58.07401	1.6
58.27298	1.1
65.03928	3.3
67.05502	66.3
68.05833	23.0
69.03403	1.3
69.07066	34.6
70.07392	11.6
70.63509	1.8
70.63901	2.9
71.04974	2.2
71.08612	2.2
79.05489	17.4
79.44939	1.2
80.05825	6.2
81.07053	72.4
82.07386	29.5
83.04993	2.3
83.08622	19.2
84.08952	7.7
85.06524	1.8
91.05472	12.4
92.05807	5.3
92.62586	1.2
93.07034	14.8
93.80385	1.1
94.07366	8.3
95.04977	2.9
95.08605	57.3
96.08935	26.2
97.06528	3.7
97.10164	9.7
98.06902	1.4
98.10522	4.3
99.08058	1.8
101.36570	1.2
105.07032	7.5
106.07358	3.7
107.04923	1.8
107.08601	9.6
108.08911	6.0
109.10156	21.0
110.10489	14.2
111.08064	1.7
111.10892	1.0
111.11665	3.3
112.03956	7.0
119.04955	1.8
119.08573	5.1
120.08919	3.7
121.10155	9.2
122.10458	4.5
123.11697	9.0
124.12032	6.6
129.07013	1.9
133.10085	3.7
134.10464	3.9
135.11690	3.1
136.12007	3.6
137.13264	2.3
138.13608	2.1
147.11676	1.9
148.12010	3.2
149.13248	3.1
150.13600	2.5
151.14786	2.3
161.13254	2.3
162.13622	3.5
163.14835	2.9
164.15118	1.8
165.16414	1.6
167.03488	1.4
176.15207	3.0
185.05975	3.0
188.99745	1.2
227.10725	2.1
246.22960	8.2
263.23615	1.6
264.23981	11.6
338.27695	100.0
339.27844	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	338.1385
Annotation	Sinomendine
Peak:m/z	Relative Intensity
51.02372	1.7
53.03947	5.3
56.05027	5.1
56.96585	1.3
67.04220	1.4
67.05504	2.3
69.44219	5.3
69.44633	2.4
74.20045	0.9
77.03935	2.3
79.05484	2.1
81.03418	1.6
81.07062	1.3
91.05488	11.2
93.06976	1.3
94.02953	1.9
94.04195	1.2
94.05809	0.9
95.03687	1.2
95.04969	12.7
95.08617	1.1
96.04492	18.7
103.05482	2.0
105.03378	2.1
105.04495	2.7
105.07032	21.0
107.04948	5.6
109.02868	2.3
112.03967	100.0
115.05458	8.3
117.07038	1.3
119.04102	2.1
119.04946	36.6
120.05315	1.2
121.02882	1.1
121.06469	1.6
127.74619	1.0
128.06232	8.0
129.07007	33.5
133.06503	20.5
134.07280	43.9
136.07562	1.5
141.07013	11.4
145.06459	1.7
149.05975	5.8
150.06764	1.8
153.06979	1.8
155.06117	1.3
157.06459	6.8
159.07954	1.1
161.02390	1.1
165.06947	1.2
166.07773	1.6
168.05591	1.0
170.07272	2.3
171.08063	1.7
173.06046	1.0
175.46451	1.0
181.06500	3.6
181.10057	1.5
184.05272	1.3
185.05981	64.9
186.06561	2.1
187.07512	2.0
194.07309	1.3
197.05977	1.8
198.06767	2.1
199.07547	10.1
199.09218	1.8
199.11082	2.2
201.05527	1.6
203.07130	2.3
204.07373	3.4
209.09543	5.5
212.08342	1.2
219.10367	1.1
227.10664	49.1
229.07346	1.2
232.45744	1.0
283.05954	1.0
321.11133	1.2
325.92279	1.0
338.10678	1.4
338.14178	2.0
339.12296	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	338.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35861	0.3
55.01868	0.4
55.05497	0.6
59.91558	0.3
63.41003	0.3
65.03938	1.4
67.02308	0.3
67.05503	0.6
67.72089	0.3
69.03442	0.4
71.58891	0.6
76.32273	0.3
77.14053	0.3
78.03452	1.4
79.05497	0.4
81.03417	3.0
81.07074	0.5
85.02905	0.3
91.05463	1.8
93.07048	0.3
95.04971	0.6
95.08617	0.5
96.04489	100.0
97.04820	1.3
103.05476	0.4
105.07005	0.9
107.04951	5.1
107.08569	0.4
108.05249	0.4
109.02878	9.2
109.10174	0.5
111.04457	0.9
114.99514	0.3
115.05483	0.5
117.07012	3.5
119.04946	3.6
119.41645	0.3
121.03991	0.5
128.06226	1.2
129.07036	0.6
131.04965	0.5
133.06474	1.0
134.07295	2.4
135.08058	5.6
136.07568	2.7
145.06474	3.5
155.06006	0.5
157.06516	1.1
173.05992	7.1
177.05408	0.3
201.05458	9.1
202.05943	0.6
225.46503	0.3
243.10182	8.7
243.30286	0.3
244.10513	0.6
247.08568	0.4
267.69922	0.4
337.31055	0.4
338.13895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
55.01866	0.7
55.05503	0.5
65.03942	1.7
67.05503	0.6
70.54726	1.2
76.30318	0.3
78.03433	1.6
79.05480	1.2
81.03408	4.9
91.05480	3.4
93.07045	0.5
94.04163	0.4
95.04973	1.8
96.04494	100.0
97.02876	0.4
97.04826	1.0
103.05471	1.0
105.07050	1.4
107.04957	16.6
108.05289	2.9
109.02882	20.7
111.04435	0.6
115.05470	0.8
117.07033	4.8
119.04956	5.3
120.05251	0.7
121.04000	0.4
121.06495	0.9
123.04433	0.4
128.06209	2.3
129.07033	0.8
130.11490	0.3
131.04939	1.5
133.06468	2.4
134.07318	3.0
135.08066	9.6
136.07579	17.9
144.05815	0.3
145.06520	3.6
155.06047	0.6
157.06461	2.7
158.07004	0.4
159.08235	0.4
173.04608	0.7
173.05995	9.2
173.22829	0.4
174.03291	0.3
177.05484	0.7
185.60814	0.3
186.06769	0.9
187.07515	0.6
201.05472	11.8
202.05992	0.4
212.07869	0.3
218.09055	0.4
219.10196	1.4
243.10176	12.4
244.10593	0.3
276.15369	0.3
307.09875	0.5
308.10428	0.5
323.12906	1.1
338.14026	4.5
339.12381	0.4
352.02145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05502	0.4
65.03933	0.7
67.05482	0.7
69.07056	0.3
69.55136	0.8
69.55534	2.7
71.11957	0.3
78.03456	1.6
79.05486	0.7
81.03416	6.6
81.07029	0.7
85.02904	0.4
85.85542	0.3
91.05479	4.1
93.07058	0.7
95.04958	1.1
95.08630	0.5
96.04488	100.0
97.02888	0.4
97.04816	1.2
97.10152	0.3
105.07034	1.8
107.04956	6.0
107.08608	0.5
109.02878	17.4
109.10143	0.5
111.04430	0.4
112.03964	4.6
115.05451	1.8
117.07011	4.5
119.04942	9.7
121.02864	0.5
121.06475	0.8
128.06221	2.2
129.06990	2.6
131.04947	1.1
133.06491	1.7
134.07263	9.0
135.08055	7.6
136.07571	17.4
145.02893	0.3
145.06493	4.0
147.04448	0.4
148.01385	0.3
149.02350	0.5
152.07085	0.5
155.06023	0.9
157.06509	1.3
167.03421	1.6
173.06032	3.0
177.05449	0.5
185.05989	2.4
186.06679	0.5
187.90213	0.4
190.07867	0.3
192.91945	0.4
199.07587	0.4
201.05469	13.6
215.10648	0.4
227.10632	2.0
237.90295	0.3
243.10147	13.1
251.22824	0.4
283.05908	1.7
306.08411	0.4
323.12659	0.6
338.14075	5.0
338.27084	0.7
339.12302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.9703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	50.6
59.80575	4.0
68.65900	4.2
69.61962	28.7
87.65609	4.2
98.97581	68.7
116.98624	90.9
119.01891	22.7
121.01673	5.2
134.99664	100.0
135.99979	4.5
137.02942	12.4
142.03531	10.5
153.00710	21.5
158.01237	5.5
160.04509	4.9
177.00964	16.4
179.02933	4.9
192.98665	5.9
196.86781	9.3
212.92267	5.4
216.98729	30.9
219.01935	8.1
221.01884	7.8
230.93382	21.7
234.99767	86.7
248.94377	15.1
253.00639	5.7
254.93381	12.2
256.96680	14.1
257.96786	6.0
258.96481	7.3
261.03088	9.4
262.03244	4.6
272.94421	74.9
274.97641	7.7
276.97366	7.3
277.00851	6.3
288.92212	14.8
290.91718	13.3
290.95450	55.8
291.98315	8.6
292.98715	10.1
296.94449	5.4
305.96298	4.8
311.95892	11.5
312.46005	9.6
313.97073	5.9
314.95419	48.2
332.91006	5.3
332.96774	7.2
340.46512	4.8
341.39944	6.3
341.91464	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	42.8
57.03187	2.0
57.03436	27.7
57.07061	6.9
57.33430	1.7
65.03925	2.9
67.05502	100.0
69.07067	52.6
70.07349	1.5
70.72859	5.3
71.08614	2.2
78.29198	1.6
79.05488	26.1
81.07053	96.7
82.32899	1.4
83.04972	2.6
83.08617	26.0
85.06532	2.0
91.05475	15.6
93.07044	25.1
94.52271	1.5
95.08604	76.1
96.08881	1.5
97.06514	5.7
97.10165	15.0
99.08097	2.1
105.07023	10.8
107.08605	14.7
109.10150	31.1
111.08071	3.4
111.11706	5.4
119.08585	10.5
121.10133	15.5
123.08040	1.9
123.11707	14.8
133.10115	9.2
135.11673	8.1
137.09657	1.9
137.13249	5.6
147.11685	6.6
149.13271	4.4
151.14786	3.3
153.61345	1.7
161.13254	6.3
163.14833	4.4
171.00548	2.0
175.14856	3.3
177.16521	1.8
189.16362	2.1
245.22757	6.4
249.23964	1.5
263.23730	11.3
337.27356	95.4
338.27716	5.0
342.77902	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03926	2.8
55.01876	1.3
55.05511	42.5
57.03436	29.6
57.07080	7.7
65.03937	2.9
67.05505	90.4
69.03410	1.1
69.07068	47.5
69.79974	7.9
71.04972	2.2
71.08617	3.9
79.05495	20.8
81.07056	84.5
83.04958	2.8
83.08157	1.5
83.08622	26.6
85.06537	1.8
91.05473	14.2
93.07041	21.5
95.04970	2.3
95.08605	68.9
97.06522	6.9
97.10162	12.1
99.08089	1.3
105.07021	10.6
107.08588	10.0
109.10151	27.1
111.08060	2.8
111.11701	3.1
119.08581	8.7
121.10152	10.1
123.08051	2.5
123.11697	12.7
133.10127	9.0
134.14586	1.3
135.11682	7.4
137.09703	2.0
137.13258	3.8
139.11162	1.8
147.11700	5.9
149.13249	2.6
151.14851	2.0
152.68506	1.3
153.12747	1.2
161.13261	5.1
163.14793	4.8
175.14876	3.4
175.61710	1.3
178.53326	1.2
179.77911	1.2
189.16382	1.4
232.27699	1.2
245.22610	4.1
263.23709	7.3
337.27350	100.0
338.27722	4.2
350.28262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62049	1.6
53.03936	3.6
55.01873	2.1
55.05271	2.8
55.05511	42.2
57.03435	23.3
57.07074	8.9
61.38794	1.7
65.03932	3.0
65.57230	1.6
67.05505	95.0
69.07068	45.3
69.30669	8.8
69.31092	9.8
70.38596	1.6
71.04950	2.4
71.08628	2.2
76.58792	2.0
78.30442	1.8
79.05492	24.7
80.26064	1.6
81.07056	100.0
82.07364	2.1
83.04942	2.0
83.08624	26.4
85.06521	2.3
88.34340	1.7
91.05485	13.4
93.07045	23.5
95.04964	2.1
95.08603	73.6
95.19034	1.5
97.06507	5.3
97.10164	14.3
99.08063	2.1
105.07018	10.8
107.08608	11.5
108.59243	1.8
109.10158	34.2
111.08028	4.1
111.11734	4.2
119.08640	8.5
119.09330	1.9
121.10162	12.3
123.11682	14.1
131.46672	1.7
133.10132	11.5
135.11693	5.8
137.13237	2.9
147.11678	7.0
149.13240	3.8
151.14813	2.5
161.13252	5.1
163.14815	5.0
167.14267	2.6
167.88164	1.9
175.14844	4.6
245.22635	6.9
263.23608	12.3
337.14337	5.6
337.27365	90.4
338.27771	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	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.00292	1.3
53.03939	2.6
55.05511	41.1
56.19932	1.4
57.03436	26.1
57.07065	6.6
65.03935	4.4
67.05507	94.0
68.05836	2.7
69.07069	53.7
70.11832	6.2
71.04986	1.6
71.08641	2.4
79.05492	28.3
79.05955	1.6
81.07057	84.4
82.07401	1.6
83.04951	3.1
83.08623	24.4
85.06542	2.0
91.05479	16.9
91.87796	1.4
93.07044	21.0
95.08607	64.5
96.08962	1.4
97.06521	4.8
97.10169	13.9
99.08023	2.6
105.07026	10.4
105.39638	1.6
107.08593	11.8
109.10158	24.2
111.08076	2.6
119.08578	8.3
121.10151	10.3
123.11699	11.1
133.10123	10.3
135.11688	6.7
137.09636	1.6
137.13261	3.9
147.11681	6.0
149.13286	3.5
151.14850	2.2
153.12791	1.7
161.13266	4.7
163.14830	2.8
175.14830	2.3
189.16670	1.4
222.31694	1.4
245.22681	2.2
251.00262	1.6
263.23682	4.0
304.01575	1.5
337.27356	100.0
338.27686	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	337.2372
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03942	4.0
55.01861	4.6
55.05511	72.6
56.96559	2.5
57.03419	4.1
57.07073	7.2
58.00999	2.2
59.04986	2.2
63.33085	1.9
65.03931	2.7
67.05507	29.7
69.03425	12.2
69.06719	3.3
69.07067	40.5
71.01344	5.1
71.04996	17.5
71.59207	2.6
79.05484	20.9
81.03385	1.8
81.07058	65.9
83.04984	19.4
83.08630	11.0
85.02860	2.0
85.06525	10.6
90.09194	14.2
91.05470	19.9
93.06475	3.7
93.07040	55.5
95.04978	20.2
95.08607	55.5
97.06528	15.6
97.10169	100.0
99.04439	3.8
104.76238	1.8
105.07027	29.7
107.04948	18.7
107.08598	43.8
109.06518	16.3
109.10157	36.8
111.04453	2.0
111.08085	8.2
111.11710	6.2
114.87464	1.8
117.07002	4.8
119.04917	6.0
119.05850	1.7
119.08584	25.2
121.06495	8.6
121.10139	36.7
123.08043	13.0
123.11693	15.6
125.09626	26.8
125.13256	1.8
127.07568	2.6
129.07030	2.4
131.04927	3.1
131.08551	7.2
133.06464	3.6
133.10141	25.2
134.44188	1.9
135.08041	7.4
135.11697	23.9
137.05983	2.7
137.09625	11.0
137.13237	3.7
138.39563	1.8
139.11183	13.9
141.09181	3.7
143.08548	4.3
143.10669	28.8
145.10117	12.6
147.04405	3.0
147.11668	15.2
149.09599	10.7
149.13278	17.3
151.07504	5.4
151.11168	8.0
153.09157	2.4
153.12747	4.1
157.06535	2.5
157.10118	6.9
157.60162	1.8
159.11725	16.1
161.09647	6.3
161.13248	6.4
163.03923	2.2
163.11172	13.1
165.09106	8.0
165.12810	3.5
167.10616	2.2
171.10202	2.0
171.11656	5.0
173.09702	3.8
173.13261	3.3
175.11188	6.7
175.14606	10.9
177.12790	9.4
181.12253	8.6
185.13219	3.6
189.11206	4.4
189.12787	2.8
191.14279	3.1
193.12320	3.2
195.13713	3.2
199.14792	2.9
203.07036	5.0
203.14311	5.8
205.06517	2.1
205.15868	2.0
217.08679	4.0
217.15840	3.1
221.15329	3.0
234.06804	2.5
247.17033	2.1
255.21078	2.6
259.11380	2.4
262.06180	2.6
273.22101	6.1
277.08633	4.2
277.12253	3.0
283.20499	3.9
289.21927	1.9
290.05685	3.3
291.23087	5.7
293.21082	5.4
301.21646	21.8
305.08148	5.0
305.11639	4.0
319.22693	18.6
337.10938	10.6
337.13782	9.1
337.23755	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	337.2372
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03944	8.2
55.01870	8.3
55.05513	61.3
56.05860	3.4
57.03440	6.4
57.07076	7.2
65.03952	3.8
67.05502	46.3
69.03432	50.6
69.07069	51.4
71.04986	12.0
71.58593	2.8
72.08159	4.0
79.05496	37.9
81.03410	9.5
81.07059	100.0
83.04981	21.1
83.08622	13.7
83.09091	3.1
83.21160	3.0
84.04519	3.1
85.02905	4.2
85.06554	19.2
87.04471	4.1
87.08101	8.9
91.05474	24.3
93.07043	73.5
94.12675	3.3
95.04968	65.9
95.08609	76.3
96.08966	3.1
97.06528	20.6
97.10172	53.2
99.04433	7.8
99.06171	3.1
99.08070	3.6
101.06024	5.4
105.07040	42.9
106.06554	6.9
107.04950	13.5
107.08596	60.7
109.02883	9.2
109.06530	44.6
109.10156	49.9
111.04448	4.0
111.08077	27.3
111.11681	5.3
113.05971	3.8
115.07530	3.6
117.07008	8.5
119.04961	5.5
119.08587	40.2
121.06530	11.2
121.10153	42.4
123.04458	4.1
123.08057	16.4
123.11684	28.1
124.07638	3.8
125.05971	5.5
125.09641	21.1
127.07567	7.6
129.07013	5.6
131.08585	15.2
133.06512	5.4
133.10132	32.3
135.08083	29.1
135.11691	29.0
137.05952	8.6
137.09621	30.8
137.13281	6.5
139.07544	9.2
139.11183	17.9
141.09113	8.1
143.08559	8.8
143.10715	9.0
145.10135	23.1
147.04466	3.7
147.07982	4.4
147.11711	20.7
149.05931	3.2
149.09593	13.5
149.13284	9.8
151.07529	5.1
151.11160	21.9
153.12747	9.2
155.07047	9.6
157.10143	15.1
157.12202	5.0
159.11702	22.6
161.05983	3.6
161.09616	11.5
161.13333	4.9
163.03960	3.9
163.07544	4.7
163.11215	18.7
163.14859	4.4
165.09154	13.8
165.12758	9.8
167.10617	4.5
171.11655	5.0
173.13252	7.9
175.11284	8.6
175.14847	10.5
177.05385	3.4
177.16409	4.0
179.10677	6.5
179.14258	5.7
181.12267	5.4
181.15913	4.1
185.13251	4.2
189.12711	3.9
189.16396	3.9
191.14301	3.9
193.12283	4.1
199.14920	3.4
201.16447	4.0
203.14241	6.5
205.06606	3.9
205.15996	3.1
209.15331	4.4
213.16367	3.2
217.08554	4.4
233.15341	5.1
234.06622	4.4
235.16914	3.6
262.06305	3.6
273.22229	6.0
277.08487	4.2
283.20721	4.9
291.23172	9.6
301.21661	18.3
305.08133	9.3
319.22726	32.5
320.10556	3.4
337.10431	14.6
337.23862	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	337.2372
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.03938	4.1
55.01879	19.6
55.05510	81.9
57.03431	8.6
57.07072	5.6
67.05505	49.9
69.03435	27.2
69.07069	59.4
70.84584	3.7
70.84930	7.7
71.04984	8.0
73.06553	5.2
79.05497	32.6
81.03408	3.8
81.07059	100.0
83.04977	22.3
83.08628	14.3
85.06539	41.8
87.04523	4.0
87.08153	3.5
91.05477	28.0
93.07047	76.1
95.04978	32.9
95.08606	96.3
97.06536	23.4
97.10166	79.2
99.04452	4.2
101.06005	11.2
105.07044	35.4
107.08595	62.8
109.06512	29.7
109.10158	51.2
111.08072	65.3
111.11742	4.0
117.07026	7.7
119.08584	30.6
121.06489	9.9
121.10146	46.2
123.08022	21.8
123.11725	19.0
125.06040	3.9
125.09640	26.8
129.06995	4.0
130.05022	5.7
131.08560	13.3
133.10132	24.8
135.08063	15.6
135.11667	32.9
137.09596	31.0
137.13184	6.6
139.07538	8.6
139.11177	22.7
141.09138	20.4
142.07809	4.0
143.08601	9.0
143.10684	20.0
145.10088	24.0
147.08034	7.3
147.11630	17.7
147.89436	3.4
149.09621	12.2
149.13239	20.4
151.07520	14.2
151.11182	27.5
153.09111	5.3
153.12746	12.4
155.10625	4.2
157.10143	8.6
159.11714	17.1
161.09625	7.2
161.13281	10.9
163.11192	15.4
165.09093	7.9
165.12775	14.1
171.07880	3.5
171.11705	6.6
173.13272	6.3
175.11220	11.1
175.14839	8.5
176.14262	5.6
177.12740	12.8
179.10684	6.3
179.14256	4.9
181.12224	6.9
185.13246	9.4
187.14932	5.2
189.12738	4.4
191.14542	3.8
193.12234	7.6
195.13852	6.3
199.14900	6.5
203.14253	9.3
205.15895	4.2
208.16925	9.7
213.16438	4.3
215.14278	4.1
221.15372	9.1
229.15811	5.4
273.22092	7.8
291.23123	9.6
301.21619	23.1
305.08047	8.1
319.22699	65.6
337.10623	11.3
337.23813	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
61.51175	2.1
67.05520	2.0
69.65678	4.5
69.66096	9.8
73.06543	7.6
85.02890	2.6
90.09192	100.0
97.02866	2.4
103.08693	2.1
122.06049	3.8
127.81638	1.7
163.03880	4.4
175.14409	57.8
234.12360	4.5
291.13394	2.4
301.11868	2.0
319.12589	4.3
337.09024	4.8
337.13623	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	337.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83033	0.8
55.05506	7.5
57.03423	0.9
60.08164	0.9
64.45248	0.9
67.05491	3.4
69.03430	3.7
69.07058	4.6
69.36452	8.9
71.04986	1.9
72.46706	0.8
73.06561	5.9
77.55263	0.8
79.05497	3.8
81.07050	7.8
83.04964	1.5
83.08636	1.3
84.54585	0.8
85.02908	2.4
85.78190	0.9
90.09190	100.0
91.05478	2.8
91.09496	0.8
93.07036	4.7
95.04958	3.2
95.08611	5.4
97.02874	1.5
97.06516	1.8
97.09645	1.1
97.10162	5.9
99.04494	0.8
103.08720	3.5
105.07021	3.2
107.04958	6.3
107.08597	4.6
109.06496	2.7
109.10163	4.9
111.08108	1.4
115.91389	0.9
119.04955	1.4
119.08581	2.3
120.37975	0.7
121.06534	1.0
121.10147	2.9
123.08076	2.2
123.11689	2.1
125.09644	1.8
131.04964	1.5
133.10133	2.9
135.08064	1.7
135.11641	1.1
137.09621	2.2
139.11185	1.5
141.09056	1.1
143.08577	1.2
145.10150	2.0
147.04428	1.0
147.11691	2.2
149.09569	1.0
149.13269	1.6
151.11160	1.1
159.11687	1.4
161.02342	1.1
161.06087	1.1
163.03908	1.7
163.11223	1.1
175.11156	1.5
175.14420	48.4
175.95926	0.8
176.14793	1.0
181.96832	0.8
203.06993	2.8
252.14429	1.2
254.25017	0.9
262.06030	1.1
305.08307	1.2
319.22620	1.8
337.10596	6.2
337.14404	3.2
337.23575	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1432
Annotation	6'-Demethoxypraecansone B
Peak:m/z	Relative Intensity
53.03938	1.0
55.05513	13.4
59.90876	0.7
59.94370	0.6
65.03926	1.0
67.05482	1.8
69.78474	3.3
79.05492	3.4
81.07049	1.5
91.05478	9.5
93.07068	0.9
95.04950	1.8
100.32622	0.5
103.05427	1.0
105.04544	0.5
105.07016	2.2
107.04941	3.2
115.05460	1.0
117.06985	0.7
119.04950	14.4
119.08595	0.9
121.06459	0.9
123.00783	1.3
123.04404	0.7
128.06233	3.3
129.06999	4.4
130.07709	1.0
133.06497	2.0
133.10088	0.7
134.03587	1.2
135.04379	1.2
139.03934	0.6
141.06976	1.0
143.08563	2.1
145.06487	1.3
146.07263	1.1
146.98862	0.6
147.04416	35.7
147.08051	0.9
148.05032	1.0
149.02356	1.2
151.03891	2.6
157.06517	2.0
158.07257	3.2
159.04465	1.2
161.02347	7.1
161.05963	1.9
161.09625	1.9
163.03867	2.4
167.03416	1.6
171.08058	2.2
173.05992	1.2
174.06781	1.8
175.03922	5.6
175.07573	4.6
185.05972	10.4
187.03905	16.1
187.07561	2.2
188.04208	0.7
189.05473	3.4
189.09105	1.1
199.07538	5.1
202.06209	3.4
205.04965	5.8
217.08604	100.0
218.08936	2.6
220.07214	2.7
295.24533	0.7
307.09790	0.7
322.11795	0.6
337.14340	89.4
338.14734	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	337.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80938	1.3
55.05497	1.8
67.05487	5.1
68.05001	2.9
69.03415	4.2
69.06725	1.8
69.07063	24.3
70.06574	3.1
70.83580	1.7
70.83912	3.0
72.08181	1.8
74.32056	1.3
74.87914	1.4
79.05495	2.3
80.05009	3.1
81.07048	1.6
86.09689	1.8
87.04424	1.6
88.07630	2.3
94.06563	33.3
95.04944	5.2
95.08635	1.6
96.04491	1.6
97.06527	1.8
104.60873	1.7
107.08620	1.5
110.06013	6.0
112.07584	5.8
114.05506	2.5
119.04906	1.8
120.11929	1.6
122.06021	86.1
123.04398	2.1
123.06821	9.9
124.07570	5.2
131.04953	1.7
135.04440	2.8
140.07057	100.0
141.07411	1.9
146.61064	1.6
147.07980	1.6
148.07576	2.2
151.06296	17.5
152.07056	56.2
163.03900	3.7
164.07002	1.8
166.15887	2.7
174.09238	1.7
176.07011	1.4
178.05006	10.1
179.05786	8.5
188.07127	2.8
196.16940	7.2
200.10651	2.1
204.06494	2.1
207.06551	1.9
210.18561	5.3
218.11737	2.3
228.10304	8.5
246.11263	54.4
256.09808	2.7
273.12289	17.0
274.10721	28.7
281.24954	1.6
291.13367	92.6
292.13879	2.9
301.11847	18.7
302.10046	4.0
319.12878	73.1
320.13403	1.6
337.09906	3.3
337.13937	52.7
337.18103	3.3
337.24942	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	337.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
55.05493	0.4
56.96574	0.4
57.02985	0.3
57.03416	0.7
65.03922	0.5
67.05486	1.0
69.03400	0.3
69.07044	0.4
69.83757	1.8
70.11540	0.3
71.04946	0.4
75.08910	0.3
77.03918	0.7
79.05491	1.7
81.07048	2.9
83.08606	0.4
85.02858	0.3
91.05482	3.9
93.03367	0.4
93.07014	0.9
95.01308	1.3
95.04951	1.0
95.08595	1.3
95.66350	0.3
96.04469	0.8
97.06510	0.4
97.84929	0.3
98.20829	0.4
103.05458	0.5
105.02781	0.5
105.03397	3.3
105.07025	1.6
107.04963	1.7
107.08595	0.8
109.02951	0.3
109.06510	2.1
109.10156	0.7
115.05435	0.6
116.06184	0.5
116.12606	0.3
117.06997	0.9
119.04906	1.1
119.08597	2.5
120.02099	0.3
121.02881	0.8
121.06512	0.5
123.00759	1.0
128.06213	1.3
129.07001	3.3
131.01329	0.4
131.04921	0.5
131.08551	0.7
132.05667	0.8
132.10315	0.3
133.02844	1.3
133.06500	1.2
135.04425	0.8
135.08014	0.6
144.05687	1.0
147.04422	1.3
147.08055	6.6
149.02359	3.2
149.05978	0.5
151.03925	4.0
157.06471	1.2
160.05214	1.1
161.02348	20.9
161.05991	5.9
163.03891	3.7
167.03401	8.2
169.07686	0.3
175.03920	3.0
175.07524	3.4
185.05977	6.2
188.04739	0.4
194.07304	0.4
203.07034	100.0
204.07379	1.9
206.05750	0.4
221.06181	0.3
221.08110	1.7
295.06299	0.6
337.10724	19.8
337.14063	0.7
338.11057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64837	34.0
78.09554	8.6
94.81975	9.3
102.50040	9.2
163.03912	23.9
256.10153	10.4
307.86093	12.3
337.09024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91992	9.0
70.02872	45.2
86.07459	8.3
98.21427	11.5
98.97586	10.1
110.97633	9.4
127.56591	8.8
147.33313	8.6
149.29457	9.5
157.62642	8.4
176.44272	9.6
188.41411	8.9
231.24080	10.3
239.63002	9.1
337.08563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
52.78267	4.6
59.64952	5.0
70.02245	27.8
74.94710	5.6
77.97369	5.4
84.57545	4.8
98.21381	5.9
109.57160	4.8
130.88310	6.0
133.03487	8.0
133.04930	6.0
191.33788	6.1
306.54578	5.2
337.08521	100.0
351.50293	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	337.0805
Annotation	(R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol acetate
Peak:m/z	Relative Intensity
52.02892	1.2
56.96294	2.4
56.96562	37.6
57.46089	1.3
64.05486	1.4
69.03429	2.3
70.12885	2.7
70.13296	3.6
70.98111	5.2
75.27639	1.3
82.05043	1.2
83.65083	1.3
84.96021	7.7
85.02895	3.3
88.99158	3.8
90.11192	1.3
97.02909	1.7
98.97584	76.4
105.05544	1.3
110.97578	17.3
112.99113	5.6
116.07099	2.7
116.98618	40.9
119.01906	1.6
128.98607	25.9
130.29207	1.4
131.00168	11.2
131.01849	1.8
133.01733	7.6
134.99655	14.6
140.98587	2.1
142.96518	2.5
143.00148	4.4
146.99638	24.1
149.01213	6.0
150.67393	1.4
151.02789	6.3
152.98579	5.1
158.99660	16.9
160.97577	2.5
161.01192	9.0
162.99158	3.4
165.00729	11.9
170.96043	2.8
170.99646	10.7
174.99213	1.7
175.02757	9.7
175.08609	1.4
177.00717	17.7
179.02281	3.1
184.97520	1.9
187.02785	1.7
188.97078	8.6
189.00725	8.9
191.02342	1.4
193.00105	2.5
193.03844	5.6
195.01743	2.6
201.00763	5.2
202.98630	2.8
205.00183	2.6
206.98164	5.3
207.01700	6.7
217.00243	1.7
217.03908	3.3
219.01755	29.5
220.99681	2.2
223.01140	2.2
229.03876	2.6
230.98141	7.8
232.99725	1.6
235.01138	2.4
235.04874	3.3
237.02817	72.0
244.99745	4.7
248.99200	2.4
255.03845	5.5
263.00739	14.5
277.02621	2.5
277.05862	24.9
281.01819	2.5
295.06998	100.0
296.07333	2.7
318.08701	4.1
337.08029	19.4
348.98108	1.4
359.29080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02995	1.0
55.05509	8.3
56.01400	0.9
56.05034	21.4
57.07069	1.4
57.74538	0.5
58.06577	1.2
61.01151	39.1
61.04042	1.7
67.05499	2.6
69.03416	0.8
69.07080	0.9
69.25651	0.8
69.25978	7.6
72.08153	15.6
73.06546	2.6
81.96392	0.6
82.06574	1.2
84.04492	2.4
84.08141	28.7
85.06554	0.6
85.08494	0.7
86.09721	3.7
87.01932	1.1
98.06032	4.1
98.20790	1.6
106.06568	0.9
107.04994	0.7
112.11239	1.5
115.08688	16.0
119.06065	7.0
127.08675	100.0
128.09023	1.5
131.06012	0.7
132.04456	2.5
132.91454	0.6
141.06587	21.4
157.13358	69.8
161.10732	2.2
169.13361	72.0
173.10709	1.0
203.06981	0.9
203.11852	2.0
217.13696	5.4
246.09828	1.0
246.12384	22.9
288.17062	27.5
289.17172	0.9
336.17352	8.2
337.10587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02377	0.8
51.05632	0.7
53.03944	3.9
55.01883	2.0
55.05512	26.0
57.03439	22.6
57.07067	1.9
58.50060	0.7
59.00438	0.7
64.88090	0.8
65.03939	5.0
66.04726	1.0
67.05505	100.0
67.56538	0.7
68.05832	0.8
69.03413	1.0
69.07070	20.3
69.36340	4.4
69.36769	3.2
71.04981	1.8
79.05492	45.6
81.03460	0.9
81.07056	78.8
83.05002	2.9
83.08625	9.1
85.06546	2.3
91.05481	25.2
93.07043	52.5
95.04962	5.7
95.08605	67.5
97.06526	2.9
97.10196	3.3
98.20625	1.3
99.08080	1.4
103.05444	1.0
105.04520	1.0
105.07035	17.0
106.88957	0.7
107.08593	24.7
107.09290	1.6
109.06512	2.3
109.10157	29.2
111.08100	2.1
117.07040	4.5
119.08586	12.0
119.60509	1.0
121.10139	20.1
123.08076	1.8
123.11711	8.7
131.08571	8.9
133.10144	7.4
135.11687	15.6
137.09586	1.0
137.13286	2.3
145.10132	5.0
147.11655	4.4
149.13260	7.0
159.11687	4.6
161.13235	5.1
163.14830	2.5
165.12750	0.7
173.13229	4.8
175.14868	1.3
177.16461	0.9
179.99265	1.0
187.14824	2.4
191.14333	0.9
194.52953	1.0
201.16336	0.8
201.62187	0.8
213.44389	0.7
243.21143	3.2
261.22134	6.3
317.24854	2.0
335.25793	71.6
336.26013	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03929	3.5
55.01867	2.3
55.05263	1.8
55.05508	25.3
55.09286	1.2
57.03438	27.9
57.07069	2.3
65.03932	3.3
67.05506	100.0
69.07069	24.8
69.59912	6.2
69.60315	2.7
71.04980	1.2
71.08605	1.1
74.82921	1.2
76.94862	1.1
77.03919	1.5
79.05495	53.1
81.03414	1.7
81.07057	92.2
83.04984	1.7
83.08624	8.8
85.06530	2.5
85.71125	1.4
87.92917	1.3
91.04967	2.0
91.05485	26.9
93.07047	56.3
95.04994	5.7
95.08605	75.7
97.06503	2.1
97.10151	3.8
98.20831	2.4
99.08103	1.5
105.04499	1.4
105.07028	19.1
107.08595	32.5
109.06512	3.5
109.10157	33.3
111.08031	3.9
115.00108	1.1
117.07027	7.1
119.08604	11.5
121.10145	25.3
123.08020	1.4
123.11707	9.6
131.08592	11.0
133.10123	10.9
135.11703	15.0
137.13263	2.3
145.10149	7.9
147.11685	6.6
149.13272	8.0
151.14795	1.5
159.11743	5.6
161.13330	7.1
161.14488	1.3
163.14780	3.3
165.12767	1.2
173.13280	5.4
175.14806	2.4
187.14851	3.2
243.21091	4.4
261.19547	1.7
261.22076	10.8
279.23187	1.4
317.24796	3.2
317.28543	1.3
335.25790	86.1
336.26266	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03928	3.5
55.01847	1.7
55.05270	2.0
55.05510	26.9
57.03436	29.0
57.07062	2.3
57.95106	1.1
65.03930	3.8
67.05503	100.0
69.06724	2.2
69.07067	23.6
71.04975	2.4
79.05489	50.4
81.07053	81.1
83.04964	2.7
83.08607	8.3
85.06538	2.2
91.04967	1.8
91.05482	23.3
93.07040	58.0
95.04951	6.1
95.08604	67.2
97.06522	2.1
97.10165	1.9
98.21529	2.0
98.98452	1.5
105.07015	14.0
107.08592	25.2
109.06513	2.3
109.09463	1.9
109.10152	23.9
111.08068	1.9
117.06995	3.3
119.08568	9.1
121.10134	20.2
123.08015	1.5
123.11693	6.9
125.93675	1.0
126.87383	1.2
131.08556	6.9
132.34206	1.3
133.10132	7.6
135.11678	11.6
137.09654	1.7
137.13231	2.2
145.10115	5.4
147.11667	4.6
149.13257	5.7
159.11748	2.9
161.13179	3.0
163.14803	2.2
173.13237	3.5
187.14806	1.8
261.22079	3.7
316.92389	1.3
335.21851	7.4
335.25726	71.3
336.25827	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	335.2217
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
53.03940	3.5
55.01844	1.4
55.05513	41.1
55.05782	2.0
56.06166	1.1
57.03427	3.1
59.71903	1.5
62.88311	1.3
65.03934	1.4
65.72025	1.2
67.05181	1.8
67.05508	26.2
69.03422	9.2
69.07072	19.7
69.21989	1.4
71.04993	4.4
74.68010	1.4
76.20968	1.3
79.05488	14.4
81.03410	5.1
81.07058	34.0
83.04980	5.1
83.08620	3.2
84.08135	1.9
85.02895	5.3
85.06538	2.8
91.05476	16.6
93.07042	23.6
94.04165	1.4
95.04971	100.0
95.08604	23.0
97.06537	10.0
97.10172	62.8
98.21520	3.2
99.04433	2.0
105.07042	30.6
106.06539	2.7
106.07338	1.5
107.04935	2.3
107.08597	23.8
109.02899	2.1
109.06521	25.6
109.10163	27.3
110.06921	1.5
111.04460	1.9
111.08080	3.9
111.11733	1.7
113.09666	1.6
115.05473	1.8
117.07014	6.0
119.08578	21.4
121.06516	5.4
121.10159	13.7
123.08059	6.0
123.11704	5.6
124.07605	7.7
125.09644	11.1
127.07545	1.9
127.11179	1.5
128.06229	2.0
129.07034	2.3
130.07787	2.8
131.08588	9.6
133.06500	3.3
133.10149	26.6
134.17574	1.4
134.34373	1.6
135.08055	34.5
135.11688	8.6
137.05943	2.1
137.09625	12.9
137.13255	1.9
139.11157	4.6
141.09087	2.0
143.08536	3.4
143.10672	16.9
145.02911	2.6
145.10126	15.9
146.05931	1.6
147.08022	3.8
147.11690	13.4
149.09621	12.7
149.13206	2.6
151.06306	2.1
151.07559	3.8
151.11179	6.2
152.07103	1.5
154.06552	2.0
155.08649	1.3
155.10664	2.2
157.10133	6.0
159.08003	3.8
159.11714	5.8
161.09596	10.8
161.13229	4.4
163.11179	11.6
165.09088	3.3
165.12758	2.9
167.10666	1.8
173.09656	2.3
173.13219	3.4
175.11201	5.9
175.14830	2.8
177.05446	7.0
177.09081	1.7
177.12666	3.1
179.10649	6.6
183.11740	2.4
185.13206	1.7
187.14772	2.9
189.11169	1.9
189.12712	2.4
191.10643	3.1
191.14189	1.6
193.12236	3.1
199.14816	2.0
201.12749	3.2
201.16374	1.5
203.14310	2.3
211.14856	2.9
213.16393	1.6
221.15410	2.3
235.16855	2.1
237.14790	3.9
248.00354	1.5
249.14896	1.6
253.19485	2.2
271.20615	3.3
282.08221	1.5
289.21603	4.1
291.19574	2.1
291.69623	1.4
299.20047	9.4
303.13342	1.7
317.17752	2.0
317.21140	18.0
335.22232	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01875	1.3
55.05510	26.4
56.65711	0.8
57.03439	26.6
57.07061	1.6
57.56025	0.8
57.91048	1.0
65.03928	3.4
67.05504	100.0
68.58591	0.8
69.07066	22.3
69.66462	6.8
70.00481	1.1
71.04983	2.2
79.05492	49.5
79.93535	1.0
80.41883	0.8
81.07058	81.7
83.04955	1.0
83.08613	9.4
85.06544	2.3
91.04968	1.7
91.05480	22.8
93.07041	49.4
95.04977	8.2
95.08606	62.3
97.06503	3.3
97.10156	2.4
98.20822	1.3
98.98456	1.9
99.08067	1.0
105.07032	13.6
107.08589	21.2
109.06529	0.9
109.10164	23.0
111.08088	1.7
117.07008	6.0
119.08584	9.8
121.10146	19.4
123.11703	7.1
125.09686	1.5
131.08594	7.4
133.10132	7.4
135.11691	10.4
137.09593	1.0
137.13208	1.6
140.38214	1.0
145.10118	4.7
147.11646	4.1
149.13255	4.0
153.12668	1.2
159.11684	2.5
161.13249	2.8
163.14806	1.8
166.24301	1.1
173.13251	2.9
175.14813	1.6
187.14746	1.5
261.22079	3.1
266.99933	0.9
289.74820	1.2
335.21863	29.8
335.25803	70.4
336.22299	1.7
336.26114	2.7
347.02051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05507	4.6
57.03435	5.9
65.03902	0.9
67.05505	20.7
69.07066	4.0
70.30984	2.5
71.04975	1.0
79.05495	10.3
80.15500	0.5
81.07058	16.8
83.08624	2.4
91.05481	5.0
93.07038	13.2
95.04985	1.3
95.08610	13.7
97.06531	0.6
97.10175	1.2
105.07034	3.3
107.08605	5.3
109.06542	0.8
109.10157	6.8
117.06985	1.6
119.08611	2.7
121.10136	4.8
123.08058	0.8
123.11738	2.2
129.05447	0.6
131.08572	2.2
133.10136	2.1
135.11681	4.7
137.13228	0.7
145.10112	2.9
147.11658	1.6
147.47194	0.6
149.13255	2.8
159.11726	1.4
161.13255	1.6
163.14908	1.2
173.13353	0.9
176.16539	0.7
184.66624	0.7
187.14861	0.7
243.21175	2.5
252.00046	0.6
261.22122	3.8
335.22000	100.0
335.25858	19.8
336.22305	5.4
336.25827	1.1
353.21851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
55.05516	1.9
57.03424	1.0
65.03928	3.4
67.05493	7.9
67.50312	1.0
69.03429	1.2
69.07070	100.0
69.48196	10.7
70.07389	1.5
71.04997	1.2
71.63029	1.3
74.36198	1.0
78.27784	1.1
79.05481	4.3
80.05016	2.7
81.07048	10.5
91.05511	2.4
92.05006	3.4
93.07041	4.0
94.06563	3.4
95.04980	7.3
95.08590	4.1
97.06536	16.9
97.10140	2.6
98.20823	2.6
99.04456	1.6
99.36482	1.3
100.65698	1.1
105.07022	3.9
107.08585	5.0
108.04491	1.7
109.06519	3.2
109.10148	4.1
117.07027	1.7
118.06420	1.1
119.08569	3.0
121.06522	1.0
121.10138	1.4
122.06036	9.5
123.11691	1.1
124.07543	2.4
125.05934	1.3
130.06540	1.3
131.08582	1.7
132.76491	1.2
133.10123	3.3
135.08040	1.3
135.11670	1.7
137.05968	3.8
138.05519	6.2
138.09064	1.1
140.07071	7.5
144.08078	2.2
145.08832	3.1
145.10019	2.7
146.09624	4.6
147.06743	1.6
147.11620	1.6
148.03902	1.3
150.05510	69.2
151.05733	1.4
157.08849	3.6
157.10088	1.8
159.10484	1.5
159.11766	1.2
160.07651	2.0
161.08347	4.8
161.09566	1.7
162.09123	2.6
163.11272	1.4
164.03465	1.6
165.09206	1.1
166.05003	33.2
168.06653	1.7
170.09645	1.1
172.07649	1.8
172.11166	4.5
173.08350	2.7
174.09167	3.4
174.12833	7.0
176.03429	10.1
182.04416	1.3
185.08353	2.5
186.07689	1.2
188.10739	1.3
190.12312	4.8
192.02737	1.4
194.04512	3.2
200.10806	6.4
202.12263	8.4
213.10173	2.3
215.11900	1.1
216.10147	3.8
218.08415	1.8
218.11763	31.8
227.11714	1.3
228.10220	15.1
229.13356	1.6
234.11243	2.8
243.11526	1.3
244.09651	2.2
245.12920	1.3
246.09061	2.0
246.11298	23.1
256.09525	2.3
271.07980	1.2
271.10822	4.5
272.09164	3.8
273.12357	3.0
274.10745	3.3
287.10364	6.5
289.11884	8.6
299.10199	5.3
317.11301	24.9
317.21207	1.6
335.12387	13.3
335.22363	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	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71853	1.0
55.05503	1.1
55.38647	1.0
64.47585	1.4
65.03922	2.2
67.05494	2.5
69.03416	2.1
69.07073	13.4
70.06566	1.0
71.04996	1.1
71.59252	1.2
72.08139	2.2
79.05498	2.7
79.74361	1.0
80.05017	1.3
81.03418	1.9
81.07056	1.2
82.06579	1.2
85.02914	2.1
86.72932	1.1
88.99223	1.1
91.05502	2.3
93.07042	1.0
95.04983	1.8
96.08127	2.0
97.02879	4.7
97.06506	3.3
104.05006	1.2
106.06561	3.1
107.04947	1.3
108.04463	3.0
109.02936	1.3
109.06518	1.3
122.06001	2.5
124.07606	7.8
127.03891	1.4
131.06017	1.1
136.07512	1.4
138.05505	9.1
140.07040	2.5
146.05933	1.5
147.04419	1.3
147.05547	1.5
150.04445	1.4
150.05534	9.8
152.03424	1.8
153.01782	2.2
154.06602	1.3
160.07559	1.7
161.07117	1.4
161.08401	1.8
162.09145	1.2
164.07013	1.4
166.04959	4.4
169.07549	1.6
170.08330	1.4
170.09644	1.7
178.05037	1.6
181.07654	1.3
182.08241	8.2
183.09149	1.7
184.06281	1.7
184.09843	1.6
186.09171	1.1
190.12236	1.5
196.09966	3.5
197.10693	3.9
198.07758	5.6
198.09441	1.9
199.12289	1.5
200.10715	1.7
209.10786	2.4
210.07919	5.9
211.08606	2.0
211.12271	3.9
212.09454	8.3
213.06447	1.2
213.10286	6.1
216.10211	2.2
218.11656	2.3
219.07701	1.9
225.10144	12.4
226.08849	2.4
227.11778	19.5
228.10330	1.6
229.05928	1.3
230.08188	1.7
240.09019	2.7
241.09740	4.9
242.10321	1.5
243.11287	3.5
245.12895	4.5
246.11266	3.3
253.09694	9.5
254.08147	1.9
255.11261	10.2
257.09225	4.5
259.10901	2.1
261.12405	3.9
268.08398	5.6
271.02310	1.3
271.10757	32.8
272.11523	1.6
273.12347	17.6
281.09302	5.1
287.10263	35.9
288.10861	3.1
289.11789	9.4
299.10269	47.3
300.10544	3.0
305.11261	3.2
317.11319	100.0
318.11679	3.6
325.86218	1.1
335.12335	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.4
67.05504	1.3
69.03423	1.3
69.07072	1.6
69.89766	3.0
75.77381	0.6
82.06586	0.7
83.04953	0.6
84.08101	0.8
91.05460	0.7
94.06557	1.0
95.04958	0.8
95.08627	1.2
96.04454	1.0
97.02862	1.0
98.06026	0.6
98.97671	0.6
105.07019	1.1
106.06506	1.0
108.04469	1.5
119.08578	1.2
122.06002	1.6
124.07558	0.9
131.08534	0.7
133.10164	0.9
135.11615	0.8
138.05566	0.8
140.07054	1.1
143.06136	0.7
143.08542	1.1
150.05482	1.2
153.01785	1.0
153.05420	0.7
155.08620	0.6
168.06552	2.1
170.09656	0.8
172.07549	1.1
173.10764	1.6
173.13191	3.2
178.08603	2.5
182.08232	0.8
184.07584	1.2
186.07817	1.2
186.09242	0.9
187.08592	0.8
197.81921	0.6
198.09132	2.1
199.08684	2.2
200.07088	1.5
200.09088	0.8
200.10750	2.2
201.06604	1.5
201.10229	6.0
205.09691	1.0
211.08803	0.8
212.07141	1.0
212.09396	0.7
213.10289	1.9
214.07243	1.2
215.08142	1.6
215.11742	0.8
216.08792	1.5
217.09764	2.0
219.11191	1.4
225.10367	1.3
226.08803	2.9
227.08116	2.8
227.11789	1.5
228.10518	3.8
229.09741	7.5
230.10582	1.8
231.11157	1.0
243.07683	2.0
243.11269	6.7
244.08546	1.1
245.09259	4.5
247.10785	2.3
253.09810	1.5
254.08177	2.3
255.11279	1.5
256.08978	0.7
257.09201	16.4
258.09906	2.8
265.11853	0.9
271.10764	10.6
271.13507	1.1
272.09030	1.0
273.12286	1.7
287.10269	2.3
289.11795	5.7
299.10275	12.8
302.08664	0.7
307.12900	2.9
317.11310	100.0
318.11572	3.4
335.08609	0.5
335.12354	11.8
335.18561	1.7
346.87036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29996	0.9
52.08910	1.1
52.97699	1.0
55.01854	1.6
58.61184	1.1
63.02395	1.2
67.05492	2.5
68.99786	2.1
69.03435	9.8
69.07066	26.8
70.06593	1.5
71.58146	1.6
71.58573	2.1
79.05487	2.2
79.94944	1.2
81.03414	5.0
81.07059	2.2
82.06576	1.4
85.02903	5.6
87.00818	3.2
87.08097	3.7
88.07635	2.3
91.05493	1.3
94.06551	1.5
95.08598	1.2
96.08116	2.8
97.02891	9.0
97.06522	2.3
99.04468	2.7
106.06542	2.3
108.04459	2.8
109.02874	4.0
115.07570	2.7
122.06064	1.8
124.07594	7.8
127.03902	8.6
136.07576	1.2
138.05522	8.9
140.07024	2.6
142.08623	2.5
145.08870	1.3
147.05521	1.6
149.07079	2.5
150.05501	6.9
152.03415	3.2
152.07053	1.8
153.01849	7.5
157.08844	1.4
161.08411	1.3
162.09125	1.5
166.04982	5.2
167.28079	1.1
168.06616	1.9
169.07532	1.4
170.08362	1.3
170.09738	1.7
175.05170	1.2
178.05022	1.8
182.08232	9.5
183.09225	2.0
185.07069	1.3
190.12320	1.9
195.09146	1.4
196.09990	4.2
197.10699	5.3
198.07578	5.6
198.09364	2.3
199.12346	2.2
200.10753	2.7
201.06586	1.9
202.12338	1.5
209.10677	1.6
210.07867	4.8
211.08675	2.0
211.12291	1.9
212.09409	10.1
213.10249	4.2
215.03378	3.2
215.11807	1.4
216.10268	1.8
218.11739	2.7
222.19328	1.2
225.10237	13.2
226.08626	4.4
227.08252	1.6
227.11806	14.3
228.10397	1.8
229.09665	2.6
231.05054	1.9
237.10268	1.4
240.09084	2.0
241.09718	4.2
242.10498	1.4
243.07748	1.3
243.11243	3.5
245.12920	4.0
246.11278	3.2
247.10664	1.4
253.09686	9.3
255.11308	11.1
257.09204	6.4
259.10797	1.6
261.12311	5.5
268.08514	5.2
271.02316	5.9
271.10767	35.0
272.09027	1.9
272.11633	1.3
273.09314	2.5
273.12305	20.6
281.09146	2.7
287.10287	30.5
288.10843	2.0
289.11810	10.4
290.10120	1.5
299.10260	53.9
305.11346	2.2
317.11316	100.0
318.11749	2.9
335.12384	19.6
335.15927	2.3
335.19025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58131	44.0
71.58508	25.1
74.00654	21.6
77.82201	18.3
77.94004	19.4
85.02898	35.0
90.05761	17.4
91.11680	21.4
119.01897	24.6
129.01102	20.9
175.01788	27.0
187.01906	21.7
243.35992	19.5
287.25681	22.2
310.17685	23.5
335.06952	36.1
335.10211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39880	1.7
60.24108	1.7
69.40965	16.6
69.41293	2.0
73.88164	1.6
87.83031	1.8
94.06577	2.1
110.69115	1.8
119.01937	4.8
132.02109	38.0
138.57315	2.0
143.01868	4.8
157.11914	1.8
157.69930	1.6
160.09669	5.3
161.02979	9.7
161.09990	3.8
173.02911	2.3
175.11847	2.6
176.01086	100.0
185.02983	4.5
197.15994	2.1
198.05301	5.1
214.07748	2.3
245.05066	3.0
248.01761	6.1
263.06049	2.4
296.08313	1.6
335.07269	18.5
335.09549	18.4
335.13303	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	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
59.39626	6.6
69.03409	6.9
70.18663	32.5
98.97624	11.4
101.00906	7.7
116.98600	9.3
119.01943	24.7
125.98196	7.2
143.01889	14.1
155.01871	11.9
161.02939	31.8
173.02899	14.3
173.06558	7.6
185.03004	9.8
207.05428	7.4
237.02808	7.8
241.34454	7.7
245.05109	11.1
263.06226	9.4
275.09824	12.2
293.10629	7.7
335.06845	65.2
335.13208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.05505	4.6
56.05029	2.0
58.06583	1.1
60.84907	0.8
61.07712	1.0
62.87091	0.9
65.03939	1.0
65.83900	0.8
67.05509	7.8
69.07066	5.1
69.46498	4.4
69.46916	3.2
70.06583	1.2
70.99413	0.8
71.57917	0.8
72.08147	2.0
79.05499	7.4
81.07059	8.2
82.06588	7.5
83.08596	1.7
91.05482	6.2
93.07052	9.0
94.06570	10.4
95.08601	6.9
96.08121	2.9
98.21506	1.7
105.07021	5.3
106.06596	1.2
107.07352	2.2
107.08604	5.4
108.08137	5.5
109.10146	2.0
110.09657	1.0
116.06112	0.8
119.08559	4.3
120.08129	4.2
121.08888	1.5
121.10136	3.3
122.09663	7.1
124.11226	1.4
131.08568	2.4
133.10120	3.7
134.09665	4.1
135.11665	1.6
136.11214	19.0
137.12039	0.9
145.10066	1.2
147.11700	1.1
148.11224	2.9
150.12788	1.5
159.11723	1.3
162.12729	1.4
171.36853	0.9
176.14377	0.9
178.15764	0.9
274.73691	1.0
302.21213	2.5
302.24768	4.8
334.27402	100.0
335.12683	1.0
335.27725	1.9
355.20139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43728	0.5
55.05506	1.9
56.05035	3.5
62.49255	0.5
65.77164	0.5
66.11142	0.5
67.05217	0.6
67.05506	5.8
69.03420	3.0
69.07057	1.0
70.06590	7.0
70.58256	0.6
70.58598	1.8
79.05475	1.7
81.07057	10.9
83.04962	0.6
83.08628	0.9
84.04505	1.0
84.08124	0.7
85.06535	1.1
85.46625	0.6
86.06072	17.0
86.09704	1.0
87.04469	15.6
91.05489	4.7
92.98814	0.7
93.07037	1.4
93.80573	0.6
95.08606	2.2
96.08121	1.5
98.06053	35.5
104.07048	0.7
105.07021	2.8
107.08602	2.5
109.06467	0.8
109.10149	1.8
112.07578	1.9
121.10104	0.7
121.65495	0.7
123.08326	0.6
123.11706	2.4
124.07587	12.2
133.10123	5.8
137.51834	0.6
151.11189	12.1
158.11821	0.9
168.13844	7.8
186.14917	2.2
208.16905	0.7
221.09258	0.8
228.59833	0.5
236.16461	18.0
237.16702	0.8
272.18570	100.0
273.18820	4.3
316.21188	16.5
317.21591	0.8
334.22260	7.1
335.22369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.05502	1.1
56.57514	0.5
67.05481	1.3
69.03411	0.6
69.07050	0.8
70.06559	0.7
71.59237	0.9
77.52252	0.6
79.05476	0.9
81.07033	1.7
82.96810	0.5
91.05465	1.7
93.07003	0.8
95.04960	1.0
95.08600	1.2
98.98426	0.7
103.05540	0.6
105.07021	1.5
106.06545	1.4
107.04901	0.5
107.08569	0.8
109.06531	0.7
109.10144	1.3
117.05756	1.0
117.07114	0.8
118.06538	5.3
119.08594	0.7
120.08108	0.6
121.10125	0.7
122.06795	0.5
125.06072	0.5
128.06262	0.6
130.06514	0.7
131.07285	1.8
132.08061	2.4
144.08040	0.7
145.06390	0.6
146.09630	5.1
147.11584	0.6
155.87668	0.5
158.09676	0.5
160.11214	2.2
162.09145	6.5
174.12863	0.6
176.10718	4.6
177.11467	1.0
190.08623	0.8
190.12234	10.0
192.23674	0.6
204.13850	1.8
228.24571	0.5
244.20628	2.2
272.20102	11.4
290.21005	1.3
302.10654	0.6
302.17493	1.6
334.23758	100.0
335.24182	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30252	1.9
54.46313	1.5
54.72797	1.6
55.01839	1.7
56.96563	1.4
58.72515	1.5
61.02922	4.5
65.55122	1.4
69.03425	6.8
69.70412	7.7
69.70833	3.3
77.94910	1.4
79.41239	1.5
81.03404	4.8
84.08150	2.2
85.02901	26.9
85.56784	1.6
86.09725	3.9
87.04469	1.8
88.16317	1.6
91.03975	2.6
91.05476	13.1
97.02867	8.7
98.97589	2.1
98.98455	1.6
109.02904	4.4
116.98631	1.6
119.04967	8.5
127.03941	5.4
130.06519	3.1
137.05977	100.0
138.06346	1.9
145.04939	8.6
148.95648	1.8
154.07370	1.5
155.07065	4.5
156.28136	1.6
158.06015	3.2
169.50456	2.0
175.08685	3.2
195.01662	2.3
201.10217	2.4
221.09250	6.2
229.09695	2.3
237.02994	2.7
289.11844	4.8
317.11383	8.5
335.12344	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
55.01886	1.9
55.05504	6.6
56.25162	1.8
56.96573	3.2
57.03429	4.0
61.02907	2.1
69.03419	9.5
71.04998	4.7
71.58047	4.2
73.02921	2.2
77.09313	1.8
79.05477	5.8
81.03417	4.1
81.07052	22.4
83.08620	4.6
84.04497	3.4
84.08148	4.0
85.02907	16.4
85.06529	4.8
91.05460	3.4
95.04977	2.7
97.02877	6.3
98.09660	2.4
98.97528	2.4
98.98470	3.8
108.00801	1.9
108.08138	3.8
109.06519	22.2
110.06068	3.4
111.08073	2.2
112.02161	4.0
116.98643	2.2
121.78696	1.9
124.07576	2.9
126.09158	51.6
127.03954	2.6
127.07545	23.8
134.99538	2.0
136.07573	2.3
145.04930	3.4
154.08621	57.7
155.07016	40.5
158.02731	4.1
172.09682	100.0
173.10161	2.3
189.57263	2.1
199.07251	2.1
241.58220	3.0
258.08020	3.7
276.08987	3.1
317.07599	5.0
317.11172	5.0
334.08905	19.3
334.12305	3.3
338.89130	2.6
343.16638	2.4
353.51587	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47935	1.5
70.19859	6.5
89.96382	1.3
90.11014	1.4
91.16097	1.2
96.00674	1.3
98.98454	3.2
105.07003	1.6
141.01480	2.4
152.86913	1.4
195.09930	4.9
257.12415	2.6
315.18088	1.8
326.58972	1.6
333.20349	100.0
334.20499	2.8
336.97787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58611	0.7
56.82898	0.6
62.29123	0.6
69.94207	1.7
69.94612	2.6
72.66127	0.6
83.94245	0.6
98.67651	0.6
98.98492	1.1
123.35049	0.6
141.01468	1.9
150.58444	0.7
168.32916	0.7
173.08922	0.6
221.11530	1.0
228.83189	0.8
244.20685	0.7
251.12747	1.1
333.20374	100.0
334.20697	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95822	1.4
67.05508	1.6
69.78616	6.0
79.05476	1.6
93.07067	1.2
95.01885	0.9
98.21696	1.0
98.98457	3.1
102.35477	1.0
103.95387	1.2
105.07018	1.2
111.54994	1.0
121.31208	1.0
162.92661	1.0
187.75153	1.0
207.15845	1.1
232.14285	1.0
241.09254	2.3
242.09755	1.1
333.20352	100.0
334.20691	3.3
340.34799	1.2
351.19986	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
56.96569	2.2
57.07068	5.4
57.89971	1.2
61.56056	1.3
66.31123	1.3
67.05502	3.5
69.41439	14.8
72.08154	16.9
73.08474	3.4
79.05473	2.6
81.07052	4.4
83.51305	1.5
91.05479	2.7
93.07032	4.8
95.08610	2.1
98.98471	19.9
105.07021	3.5
107.04962	4.5
107.08602	2.7
119.08589	5.0
121.06518	2.5
133.10146	1.9
147.04526	1.5
161.13158	1.8
162.99321	1.5
163.11191	1.8
171.11890	1.7
176.99028	1.9
220.13258	7.3
221.13651	14.0
243.06630	1.9
276.19687	4.0
277.19946	18.8
289.21954	1.5
333.20398	100.0
333.24152	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
62.71864	1.0
68.75232	0.9
69.32265	8.5
69.32678	2.6
81.81969	1.0
83.18208	1.0
83.49097	1.2
98.98439	2.7
105.07035	2.0
111.13462	1.0
131.67625	1.0
235.13011	1.4
251.12544	1.2
333.20370	100.0
334.20755	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
56.96566	44.6
62.56471	0.7
67.05489	0.9
70.32263	3.5
71.95269	6.9
72.96027	1.8
74.97601	3.1
79.05499	1.0
81.07051	1.0
84.96027	2.2
88.07622	1.0
91.05476	1.8
92.98651	1.1
93.07048	1.0
95.08596	1.9
97.96814	1.6
98.97584	1.1
98.98457	5.9
105.07015	1.8
107.08575	0.8
110.97562	5.0
115.97833	2.1
116.87828	0.8
116.98584	1.7
119.08548	1.0
123.01218	1.8
126.72314	0.8
128.98611	17.3
131.00070	1.5
133.10088	1.1
133.98845	1.7
134.99660	0.8
137.02788	1.2
140.98468	1.5
141.02283	1.3
142.15958	0.9
143.00113	1.6
146.99652	23.6
155.03786	3.0
161.01198	3.2
165.00745	6.0
170.01230	1.1
171.03230	0.9
174.99109	1.1
175.02798	1.5
179.02214	1.7
183.03203	0.9
189.00572	1.4
189.04311	3.3
191.03729	1.2
197.04964	1.1
203.05927	2.5
209.08282	0.9
211.06259	1.0
215.02274	0.9
223.08563	0.9
227.09526	0.9
241.11121	1.2
244.09677	0.9
245.10661	1.5
263.09555	4.5
264.10281	1.5
265.11136	0.9
277.11234	1.8
281.10648	1.4
285.29794	1.6
303.12698	1.9
313.14905	1.0
315.16290	52.6
316.16629	1.6
317.14188	1.4
321.13983	1.2
331.15686	3.2
333.17340	100.0
333.31863	3.2
334.17804	2.6
351.18423	20.6
356.18954	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	332.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01861	3.9
55.05495	5.7
56.05011	2.2
57.97492	1.2
58.06583	1.8
64.09489	1.3
65.03931	1.9
67.01851	2.4
67.05494	7.4
68.05025	2.5
68.99748	1.6
69.03424	9.1
69.07049	3.5
69.94685	7.9
70.06586	10.1
71.04993	1.6
72.08136	2.7
79.05489	10.5
80.04998	4.0
81.03398	4.6
81.07041	11.4
82.06564	2.5
83.04979	7.0
83.08601	2.8
84.04509	12.7
84.08104	1.3
85.02874	4.3
86.06062	36.4
86.09696	2.1
87.04467	32.8
89.64378	1.3
91.05485	6.9
93.03402	2.1
93.07040	11.9
95.04963	6.8
95.08582	5.2
96.04472	1.7
96.08111	4.0
97.02859	1.7
97.06503	3.8
98.06054	69.0
98.98447	10.3
100.07603	1.5
102.05471	1.4
103.05407	1.5
104.07079	6.5
105.07027	2.6
107.04933	5.1
107.08566	3.1
108.08096	2.2
109.02829	1.8
109.10094	1.3
110.06001	4.2
110.06702	1.2
110.09664	2.5
111.04416	5.6
112.03947	4.1
112.07571	4.9
113.30328	1.1
117.99360	1.1
118.06519	3.8
119.04946	9.6
119.08591	1.8
120.08080	1.6
121.06535	1.3
121.10137	8.6
123.04422	66.1
123.05324	3.2
124.03947	3.1
124.04729	1.9
124.07579	5.1
126.05508	15.0
126.09094	1.7
127.03878	2.0
131.08542	2.9
134.06021	3.1
135.04420	7.0
137.02309	2.4
137.05943	3.3
138.05481	10.4
138.09099	3.4
139.03900	38.0
139.11169	2.0
140.07018	5.0
142.08612	4.8
146.05972	5.3
147.04411	22.7
147.06221	1.6
148.07507	1.3
149.05936	3.1
149.09612	18.2
151.03865	5.1
151.06299	1.4
152.07057	16.7
152.10703	2.2
154.08603	6.8
158.08200	1.6
161.05966	3.1
162.05441	3.7
163.03889	19.5
164.07059	17.8
165.05479	7.1
166.04964	3.5
166.08607	4.2
166.12256	4.3
167.10739	1.4
168.06514	10.2
170.11775	6.6
174.11240	2.0
176.07057	4.0
177.05458	6.0
180.06555	100.0
181.05017	1.9
181.06821	5.5
182.08087	10.5
184.13264	7.0
188.07024	3.5
189.27380	1.3
192.06522	4.7
193.12119	2.0
194.08151	20.6
202.14420	1.6
206.15343	3.7
210.07550	3.4
210.14839	2.5
211.13245	5.5
224.16444	5.8
230.17282	1.5
234.14818	4.1
236.87871	1.3
252.15952	30.3
270.17056	5.9
278.17532	1.7
288.18039	83.9
289.18329	3.6
296.18530	2.2
314.10150	5.5
314.19632	42.1
315.08368	6.3
325.31686	1.3
332.11215	75.8
332.20535	14.0
333.11444	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	332.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13380	1.7
55.01875	2.3
55.05503	5.6
56.05030	3.7
57.03444	2.8
59.34149	1.9
66.42239	1.9
67.05513	8.0
68.05021	2.0
69.03434	10.7
69.07070	5.5
69.67469	11.2
70.06589	5.9
71.05001	2.3
79.05495	7.5
81.03433	7.3
81.07068	10.9
83.04990	6.4
83.08618	4.3
83.39452	1.8
84.04503	8.2
84.08163	3.6
85.02895	3.8
86.06067	35.5
86.09706	14.2
87.04469	30.5
91.05487	11.5
93.07050	10.0
93.18493	1.8
94.06593	2.0
95.04970	4.5
95.08601	7.1
96.08150	2.9
97.06544	5.6
98.06059	27.9
98.21462	4.4
98.98462	20.8
100.98866	2.0
102.05536	5.1
104.07097	15.3
105.07036	4.3
107.08610	4.1
108.08109	2.9
111.08061	2.3
112.07590	8.7
116.98651	2.0
116.99503	2.2
118.42028	1.8
119.08620	4.1
121.06530	4.6
121.10159	5.7
122.06075	2.2
124.07609	5.9
125.09700	2.0
126.05506	2.7
131.08580	2.9
131.34943	1.7
133.10083	2.1
135.11691	2.2
137.05991	4.0
138.12814	2.7
140.07109	2.8
142.08626	3.3
143.08476	1.9
144.08112	1.7
147.04408	2.9
147.11700	2.4
149.09610	17.5
152.07030	3.4
157.10130	3.7
158.08134	5.2
165.12715	2.1
166.12343	3.4
168.06680	2.1
169.08351	3.7
170.08900	2.9
173.12886	3.2
182.15392	2.0
184.13284	4.6
185.04189	3.9
186.04630	2.7
193.12236	5.2
195.13792	3.3
203.05281	2.5
210.14886	7.5
211.13387	11.7
219.13483	3.0
230.17705	2.8
252.15929	11.6
260.16513	2.4
270.16989	7.8
278.17584	5.2
288.18042	26.4
296.18481	4.3
314.19617	100.0
315.19962	2.5
317.18829	1.9
332.14029	45.6
332.20547	4.1
332.24469	4.8
333.14258	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	332.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75423	0.9
52.11013	0.9
54.39930	0.9
55.01874	2.1
55.05495	2.8
56.05037	2.4
57.07062	0.9
58.99572	1.9
67.05502	2.9
69.03416	4.9
69.07055	2.0
70.06590	7.0
70.84829	2.6
71.04983	1.9
72.08137	1.5
73.74931	0.8
74.06047	1.0
76.02219	2.0
79.05482	6.9
80.05038	1.1
80.05850	1.0
81.07053	10.8
81.38548	0.9
82.06583	0.8
82.07375	2.1
83.04974	3.9
83.06105	2.8
83.08620	2.2
84.04507	6.8
84.08132	1.5
85.01143	0.9
85.02893	1.5
86.06062	30.9
86.09697	1.1
86.99039	0.9
87.02689	2.1
87.03926	1.2
87.04462	23.1
91.05473	3.1
93.07043	8.1
93.94395	1.1
94.06585	1.6
95.04928	1.4
95.08595	2.1
97.02898	0.9
97.06512	2.8
98.06049	66.8
98.98472	9.7
100.07590	1.0
104.07099	3.5
105.07019	2.5
107.04928	1.2
107.08571	1.4
108.08089	1.8
109.02896	1.2
110.09657	1.0
112.03949	5.3
112.07611	2.5
118.06588	1.2
119.07310	3.0
119.08580	1.6
121.06477	1.3
121.10149	8.7
122.05991	1.4
124.07579	3.0
126.05498	11.6
129.06577	4.8
130.06543	1.8
131.08559	3.5
136.07620	1.1
138.09143	1.0
138.12804	1.3
139.11165	2.1
140.07059	3.2
142.08614	2.7
146.06041	1.8
147.11635	1.0
148.07567	1.0
149.09615	13.3
152.07068	2.1
153.06583	1.0
154.08623	6.5
157.08803	1.6
158.05975	2.1
163.03844	1.2
166.12239	3.8
167.10739	1.7
170.08130	2.4
175.08623	1.3
176.98901	1.0
180.06564	2.9
181.06160	2.1
184.13344	8.8
191.05321	1.4
193.12209	1.8
199.07527	2.4
202.14406	1.4
206.15417	3.8
211.13306	2.0
223.07527	2.6
224.16425	5.3
225.09050	1.3
227.06981	2.4
234.14911	3.8
240.10219	3.7
252.15941	35.6
252.18562	1.9
269.08127	2.8
270.16904	2.0
273.07599	1.3
277.33240	0.9
286.10849	3.9
288.18036	100.0
314.11786	1.5
314.19592	21.0
332.13678	6.9
332.20551	15.0
333.21030	1.0
354.23227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	zinolol
Peak:m/z	Relative Intensity
53.03939	0.6
55.01868	0.6
57.03436	0.5
59.05009	0.8
61.02930	2.1
69.03435	4.7
70.06593	0.7
71.04977	1.0
71.05831	1.0
73.02945	0.9
79.05479	0.5
81.03420	1.3
81.07059	0.6
84.04519	0.7
85.02422	0.8
85.02905	9.5
85.08358	0.4
86.09708	1.0
87.04472	0.7
95.04976	0.6
97.02886	3.1
98.98472	4.5
107.04948	1.0
108.08090	1.2
109.02898	1.2
110.07145	0.6
112.03967	100.0
113.04292	0.9
118.06522	0.4
119.04949	0.7
121.06528	0.5
121.07552	0.4
122.06054	0.7
123.04422	5.1
123.06384	0.5
124.07589	1.7
125.07908	0.7
127.03902	2.1
134.06073	0.6
135.04385	0.7
138.05428	0.5
139.03925	2.2
139.38298	0.4
140.07114	0.6
145.04955	1.2
146.06030	0.8
147.04433	1.2
152.07068	3.2
160.82494	0.4
163.03975	2.0
164.07062	1.5
165.05464	0.6
168.06578	0.9
170.08128	45.4
171.08444	0.6
173.04327	0.7
180.06581	7.0
182.08109	0.8
190.04953	0.9
191.05324	1.5
192.06717	0.4
194.08163	1.1
201.12091	0.4
204.75603	0.4
244.39320	0.4
332.10928	5.5
333.11298	0.6
333.15070	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.02356	0.3
53.03942	0.8
55.01616	0.3
55.01870	0.7
57.03435	1.5
57.72667	0.3
59.05007	0.5
61.02933	1.9
65.03929	1.3
67.05505	3.5
69.03426	6.7
70.88496	0.9
73.02927	1.7
79.05493	1.4
80.05003	0.4
81.03410	2.4
81.05779	0.4
81.07053	1.0
84.09072	0.3
85.02427	0.5
85.02909	6.2
87.04468	1.5
91.03958	0.6
92.05008	0.5
93.05784	1.0
95.04956	0.4
96.08132	1.1
97.02892	3.5
99.04445	0.6
106.06558	5.7
107.07362	0.3
108.08115	100.0
108.23413	0.3
109.02897	0.9
109.08478	0.9
118.06525	0.4
122.06050	0.4
123.06800	5.2
124.07588	19.9
125.07910	0.3
127.03909	1.2
134.06020	12.5
136.07579	13.5
145.04991	0.5
150.05508	0.6
152.07062	63.9
153.07376	1.0
154.08629	1.7
170.08112	5.5
170.09392	0.5
262.14175	0.3
275.49759	0.3
279.76968	0.3
314.12332	32.6
315.12625	1.2
324.68051	0.3
332.13400	36.0
333.13757	1.2
335.77301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05496	14.1
56.47356	2.7
57.03430	9.4
57.07074	100.0
60.13423	3.0
61.88162	2.9
67.05511	26.7
69.07055	12.3
69.41969	7.7
69.42368	24.2
70.77742	2.7
71.08627	71.8
75.04461	5.1
77.64701	3.3
81.07060	35.7
83.08614	27.4
85.10187	31.3
95.08605	51.6
97.10155	12.2
98.98456	83.5
99.11726	4.1
109.10140	22.5
111.11713	5.4
123.11663	11.4
137.13269	6.2
174.99301	4.4
176.98882	7.5
207.47664	3.6
221.22792	3.8
239.23680	15.8
257.24673	8.1
313.27402	52.8
331.34076	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64287	2.3
55.05511	12.7
57.03437	9.3
57.07076	90.2
59.26863	3.0
67.05504	26.7
69.07068	16.0
69.96418	16.0
71.04984	3.6
71.08631	66.1
81.07059	33.1
83.08619	21.6
85.10181	38.7
95.08602	49.6
97.10173	11.9
98.98466	100.0
109.10143	19.8
116.99498	3.2
123.11710	14.1
134.62854	2.3
137.13275	6.6
151.14833	3.3
154.71950	2.7
158.96564	3.4
174.99178	2.6
176.35605	2.8
176.98965	6.1
239.23761	11.8
257.24698	4.2
313.27344	49.9
331.34052	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	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
57.03423	0.8
59.04985	0.6
61.02914	1.7
63.61874	0.5
65.03928	1.4
67.05502	3.8
69.03426	6.3
69.54716	2.2
69.55135	2.2
70.68568	0.5
73.02909	1.7
79.05470	1.1
81.03408	1.8
85.02907	8.2
87.04461	1.6
89.87079	0.5
93.05782	0.9
96.08127	1.5
96.25748	0.5
97.02876	3.7
98.20747	0.8
106.06551	4.6
108.08113	100.0
109.02877	0.8
109.08447	1.6
123.06815	4.2
124.07588	18.7
127.03914	1.6
134.06010	9.7
136.07578	12.8
152.07063	67.4
153.07420	1.5
154.08640	1.9
170.05217	1.4
170.08110	8.0
170.09401	0.9
305.66144	0.6
314.12311	37.1
315.12766	1.0
332.13391	43.8
333.14026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06024	2.0
55.05517	12.3
57.03430	7.4
57.07076	100.0
58.07406	2.9
63.88029	2.1
65.18410	2.5
67.05499	24.6
69.07070	16.6
70.06566	3.8
71.08228	3.8
71.08630	69.4
75.04505	2.4
79.05460	3.5
81.07057	33.8
83.08625	26.1
83.97962	2.0
85.10181	36.6
88.07661	4.5
88.12101	2.1
90.33648	2.0
93.07044	5.7
95.08607	56.1
97.10146	10.5
98.98470	35.6
99.11720	2.7
106.08669	2.8
109.10152	29.5
111.11713	4.8
113.13283	3.1
123.11691	12.1
125.13257	4.0
137.13260	4.8
156.30971	2.2
182.74568	2.2
239.23677	14.9
257.24783	4.4
307.67862	2.2
313.27356	51.6
313.32770	3.4
331.26089	3.5
331.34000	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.8
57.03428	5.3
57.07076	100.0
67.05503	20.3
69.07061	12.2
70.06594	9.2
70.56611	12.1
71.08634	66.7
74.30405	3.6
75.04484	3.5
77.70628	2.7
81.07056	30.5
83.08617	23.9
85.10187	40.5
88.07648	8.8
95.08599	48.4
97.10167	10.1
98.98479	20.0
99.11717	4.1
108.53168	3.5
109.10149	24.5
123.11696	10.7
137.13290	5.2
165.93369	3.2
172.76096	2.9
239.23758	11.8
251.14145	2.8
257.24628	4.3
281.20825	2.7
313.27380	44.1
313.32886	7.2
331.33981	79.5
331.37537	6.1
332.01794	3.4
336.80850	3.0
349.93378	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	331.2242
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
69.62246	6.9
71.37283	0.9
98.98466	35.2
116.99484	1.0
121.43365	0.9
126.04427	1.0
135.07993	1.2
140.01030	1.1
160.11755	1.0
160.80760	1.0
161.43626	0.9
176.98947	2.1
260.96988	1.1
331.22443	100.0
332.22849	1.5
337.71323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67063	1.7
69.27199	10.9
69.27621	5.7
69.51083	1.5
78.77018	1.5
81.07043	1.9
96.97292	1.4
98.98464	49.8
100.06018	1.4
104.34372	1.6
105.07029	2.4
116.99502	2.3
119.08601	1.6
152.78978	1.5
174.99211	2.7
176.98892	3.2
193.15001	1.5
245.13652	1.5
259.14740	2.1
273.38797	1.7
331.22379	100.0
332.22754	2.9
333.63632	1.4
346.68338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58738	0.6
52.28509	0.6
53.03929	1.1
55.05509	5.6
61.89784	0.6
65.03936	0.7
67.05497	1.8
68.17826	0.6
69.03429	4.9
69.07053	1.0
71.58425	0.7
79.05481	1.1
81.03401	1.2
81.07045	1.0
83.08614	5.5
85.02887	1.9
91.05485	2.1
94.06540	2.2
95.08635	0.7
97.02922	1.0
98.98463	40.8
99.04459	0.8
100.98864	1.0
101.09656	1.1
107.04928	0.6
111.73367	0.6
116.99519	1.6
122.05934	0.6
123.04394	0.8
127.03897	1.2
129.09145	1.3
134.06059	0.7
135.06816	1.4
137.05991	2.2
143.03284	0.9
147.04387	0.8
150.05544	3.3
151.03897	0.8
151.07491	0.6
151.74036	0.6
157.06364	0.8
162.05542	2.1
163.03949	0.7
163.06313	2.0
165.05461	1.3
166.05046	1.8
167.07027	0.8
168.06577	1.5
169.04970	2.8
169.08351	15.2
174.99188	1.4
176.98946	2.3
180.06615	0.8
185.04228	14.3
185.05879	0.5
189.03958	0.8
190.57292	0.7
203.05254	7.3
213.03889	0.8
314.19730	1.6
331.13647	100.0
332.13986	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01861	0.9
55.05478	1.4
56.82250	0.5
57.03420	1.1
58.99571	2.7
63.92424	0.5
65.03908	1.0
67.05471	2.1
68.05013	1.0
69.03400	1.0
69.07063	4.6
69.76481	2.9
70.06564	0.8
72.08100	0.6
74.00612	0.6
76.02229	3.9
76.72504	0.4
79.05499	2.6
80.04976	1.5
81.07054	11.9
83.06108	5.8
84.04481	1.3
84.08121	1.0
85.01087	0.7
85.02892	0.8
86.00622	2.1
86.99060	2.4
87.02696	4.1
87.04452	0.5
89.03893	0.7
91.05472	0.8
93.03385	0.6
93.05748	1.1
93.07018	1.1
94.06567	13.4
95.04951	3.1
95.08585	1.4
97.06523	1.1
98.06020	0.8
98.98463	43.0
99.08064	0.7
100.98842	1.0
105.00090	0.6
105.06975	1.4
106.06583	0.7
108.08096	1.7
109.02882	0.7
110.06024	5.2
112.07572	2.2
115.05730	0.5
116.04990	5.3
116.99454	1.9
118.06507	1.2
120.04436	1.7
122.06027	25.4
123.04400	2.2
124.07574	1.7
129.05713	0.9
129.06584	9.1
130.05017	0.6
130.06546	0.8
131.04919	0.6
132.04485	0.7
134.05989	0.9
135.04361	0.5
139.03867	0.6
140.07062	34.2
141.04877	0.6
141.07890	2.7
142.08629	0.5
144.04440	8.7
146.06000	14.2
147.06767	0.6
148.03889	0.7
148.07530	5.4
153.06654	0.5
154.08701	0.6
156.08420	4.2
157.06786	3.8
162.05496	5.1
167.07140	0.8
172.03934	27.1
174.05466	1.5
174.09474	4.0
174.99213	1.9
176.98936	2.6
187.05357	1.5
190.04985	100.0
191.05388	1.5
191.07047	1.0
192.06523	7.5
203.07193	0.6
210.11226	1.4
233.05899	3.6
242.11787	0.6
252.99741	0.8
253.08432	0.5
285.12613	0.8
286.10800	1.6
313.11813	4.0
331.13116	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	331.1288
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
50.65567	0.5
51.41095	0.5
55.01880	3.4
55.05507	1.0
55.11167	0.7
65.03954	0.8
67.05495	1.3
69.03429	0.9
69.07049	0.6
70.92988	1.5
70.93368	1.3
71.04962	0.8
72.48551	0.7
77.92699	0.5
78.00584	0.6
79.05504	1.4
79.32586	0.5
81.03419	0.9
81.07041	1.9
82.06585	0.6
83.04987	0.6
85.02899	0.9
91.05467	1.7
93.07058	0.8
94.06570	2.3
95.04960	2.0
95.08612	0.7
98.06035	1.2
98.98468	40.6
100.98849	1.1
105.07030	2.2
106.06560	3.0
107.04970	0.7
108.04469	3.7
108.08095	0.8
110.06050	1.8
111.04427	0.8
116.99496	2.4
120.08114	1.1
122.05993	3.6
123.04379	1.4
133.07799	0.8
134.06021	2.3
136.03960	2.8
136.07690	0.7
137.05974	1.9
144.08061	1.0
148.07550	0.8
149.06003	1.0
150.05457	1.2
153.06956	0.7
158.11769	1.5
159.09180	0.9
160.07480	0.8
161.05951	0.8
161.07149	1.8
162.05504	8.4
163.06294	1.4
164.07062	2.4
165.05557	0.7
165.06952	1.1
167.07153	1.1
168.06599	1.5
168.08043	0.7
169.07591	1.2
170.08315	1.1
170.09709	1.7
172.11226	0.7
173.10753	1.1
174.09225	0.7
174.99115	1.0
176.07065	2.1
176.98947	3.1
177.09108	2.0
181.06439	1.0
182.07265	0.8
183.09305	1.2
184.07538	1.0
184.11197	1.0
186.07889	2.4
186.09323	0.8
187.08714	3.1
187.12257	1.2
188.10724	1.0
189.06602	7.2
193.08636	0.8
194.08081	1.4
197.08478	1.2
197.10699	1.3
198.09183	1.7
199.08716	1.2
200.07109	0.7
200.09462	2.3
201.10254	5.1
202.14433	0.7
203.08141	3.5
211.08868	1.3
212.10860	0.8
213.05336	0.9
213.10292	2.2
213.14008	0.6
214.07419	1.2
214.12543	0.8
215.08162	12.4
215.11734	4.7
217.08372	0.6
223.57486	0.7
225.10199	2.4
226.08597	1.0
227.08305	1.0
229.06285	1.0
229.09729	12.5
229.13388	2.4
229.56236	0.7
230.10089	0.9
231.11247	1.0
238.06351	0.8
239.08206	0.9
239.11809	3.0
240.10211	1.4
241.09773	2.3
242.10268	0.8
243.07686	3.9
243.11298	6.4
247.14468	0.9
251.08281	0.8
252.08885	1.2
253.09698	1.6
254.10449	1.0
255.06462	1.0
255.11256	1.5
257.04663	0.8
257.09232	8.0
257.12823	7.0
259.10898	0.9
261.12195	0.7
267.11270	4.7
268.09686	0.9
271.10770	9.2
275.13910	4.4
281.07922	0.8
285.12314	12.3
295.10870	5.5
299.09076	1.3
303.13443	5.5
313.08325	0.8
313.11804	23.5
314.12079	0.9
331.12863	100.0
332.04315	0.7
332.13193	4.9
332.20679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79198	0.7
55.23396	0.6
56.96554	0.8
69.03469	0.8
69.70341	2.9
69.70773	2.0
70.06603	0.9
81.07052	1.0
82.06564	1.6
84.04486	0.8
84.08130	5.3
85.02885	0.8
96.08157	0.7
97.02882	0.7
98.98464	100.0
99.05579	0.7
100.98882	2.3
107.04966	1.0
108.71715	0.6
109.02861	0.8
116.99506	5.9
119.01906	3.9
119.86018	0.6
122.06037	1.3
123.04433	1.0
124.07593	3.6
129.10255	4.3
130.06514	5.2
131.01869	1.3
137.02911	0.9
140.07011	0.7
145.03487	1.6
146.06003	1.2
154.97807	0.7
155.01869	0.8
157.07605	7.9
158.06012	1.3
159.09161	1.3
161.03023	1.3
169.09792	0.9
173.02956	1.5
174.99207	3.0
175.08751	1.0
176.98911	4.4
182.10585	0.7
185.07088	1.7
190.04962	2.4
245.09978	1.1
263.09537	1.4
283.51114	0.8
285.17200	0.9
287.11038	5.7
296.13791	1.3
313.16577	8.9
314.14923	3.0
331.09967	32.4
331.17725	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1023
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01858	1.3
55.79043	1.0
57.03439	1.6
58.43601	1.1
58.98143	1.2
65.47092	1.1
69.03436	2.5
69.07039	1.2
70.06577	1.5
71.04996	1.3
71.21870	1.1
71.58259	1.9
71.64012	1.1
79.05486	1.9
81.07061	2.3
84.08175	1.3
85.02911	9.7
91.05447	2.5
94.06539	1.6
95.04936	1.4
97.02880	2.3
98.98474	100.0
100.98871	2.8
103.03935	1.8
109.02891	3.4
116.99491	5.3
117.03336	1.1
118.32603	1.2
119.04936	2.0
121.02856	1.6
122.06027	3.1
123.04444	4.7
124.07581	4.1
125.05996	6.5
127.03928	2.4
131.04866	1.2
133.06487	1.9
135.04353	1.4
137.06078	1.2
139.03922	1.5
140.07057	6.0
146.05931	1.2
147.04407	5.2
151.03915	10.6
151.07532	1.9
152.06967	1.3
158.49139	1.1
161.05997	2.9
163.03896	6.4
165.05464	4.9
165.50980	1.3
169.04999	6.8
169.06209	1.2
169.08612	21.5
172.03947	3.4
174.99255	2.7
175.03957	2.1
176.98897	5.5
181.04964	17.4
187.03889	2.9
189.05450	2.3
190.05017	12.1
193.04977	29.6
198.12888	1.2
201.60338	1.3
201.97765	1.3
205.04961	4.3
207.06543	9.3
211.06024	18.0
229.04933	5.5
235.06018	20.6
241.05032	1.9
247.06058	23.2
259.05997	11.4
265.07166	2.4
277.07016	3.5
295.08127	1.4
303.17978	1.7
331.13916	2.0
331.17728	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01866	8.6
55.05498	4.0
56.05021	1.5
56.96548	2.1
57.03426	4.3
58.99327	1.2
58.99588	15.6
61.01135	5.4
65.03925	2.1
66.04704	1.4
67.05497	3.0
68.05006	1.6
69.03415	2.9
69.07069	7.1
70.06567	3.1
71.01337	2.5
71.58518	1.3
71.58896	1.2
72.08163	1.3
73.01130	1.7
73.02925	1.5
74.00645	3.3
76.02221	14.6
77.00610	1.2
78.04706	1.5
79.05491	12.5
81.03422	1.8
81.06585	1.9
81.07053	36.2
82.06581	1.0
83.01283	1.1
83.06107	17.4
83.08629	1.7
84.04488	5.3
85.01109	5.7
85.02893	1.5
86.00657	6.2
86.09686	2.8
86.99050	11.1
87.02689	27.9
89.00612	15.7
89.02395	10.2
90.04723	1.3
91.05487	6.8
93.07018	1.8
94.06587	1.8
95.04967	9.8
95.08609	5.2
97.01113	1.3
97.06534	2.5
98.98466	100.0
99.08088	3.1
100.98881	2.2
102.04681	2.0
102.98487	1.5
103.05469	17.4
104.06246	2.5
105.00086	3.1
105.07034	31.8
107.04936	3.0
111.04433	1.7
113.04251	1.4
114.05515	1.6
115.02157	10.5
115.05370	6.0
116.99494	4.7
118.04163	11.4
119.04936	4.1
120.99558	8.3
121.06533	1.8
122.01852	1.5
122.06052	2.2
122.09689	1.5
123.04415	14.7
123.08093	1.9
124.07566	3.9
127.03920	1.4
127.05714	1.3
127.11198	1.1
129.06598	29.5
129.07495	2.3
130.04120	4.9
130.04977	2.2
130.06836	1.2
131.04924	27.6
132.05708	25.8
133.06500	20.7
134.01819	2.8
135.02626	3.3
135.04364	2.4
137.05940	2.0
139.03874	4.7
139.05746	2.1
140.04675	2.8
140.07062	7.4
141.04765	2.3
143.04951	1.3
143.06041	1.4
145.06686	1.4
146.03604	1.8
146.05914	2.3
147.02666	1.7
147.04420	6.3
148.05132	2.8
148.07480	1.2
149.00571	2.4
149.06013	2.1
149.09523	1.1
150.01350	13.5
151.03880	1.9
153.06630	1.4
154.06256	9.1
155.07034	32.8
156.08427	17.5
157.06819	14.2
160.05165	6.5
161.00568	2.1
161.05983	22.6
162.01378	9.5
162.05450	7.4
163.02101	6.9
163.03802	2.1
163.07529	1.9
164.06993	1.1
165.03712	26.2
165.05304	2.3
167.07031	15.9
169.04936	3.3
170.02687	1.6
172.03900	1.8
173.05894	2.4
174.09474	16.5
174.99199	4.3
176.03447	1.2
176.04735	8.9
176.98874	5.4
177.05472	9.2
177.93472	1.0
178.00845	9.0
179.01619	4.0
179.07001	2.9
180.06453	1.2
187.05382	4.0
190.00803	9.5
190.05037	6.3
191.01656	4.0
191.07028	48.1
192.07813	39.9
193.03188	35.7
193.04942	2.0
193.08652	6.1
194.00381	2.0
194.09375	7.3
195.02808	1.2
203.07347	2.6
208.01936	6.2
209.02629	5.6
209.05586	1.9
210.03502	3.1
210.11308	5.4
223.04221	18.8
225.05794	7.6
233.05917	10.1
241.05310	4.8
243.06793	1.8
285.12643	2.4
286.10651	3.3
313.11948	6.2
316.09100	1.7
331.08405	17.9
331.13089	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.7
55.05514	17.6
56.96558	10.6
57.03426	4.1
57.07088	4.1
67.05501	29.9
69.03429	4.2
69.07079	19.0
70.32290	3.8
70.32615	15.6
74.06094	4.1
79.05476	17.1
81.07059	13.6
83.08604	5.4
87.04460	13.1
88.07626	3.8
91.05463	11.7
93.07050	19.4
95.04958	3.9
95.08599	12.2
97.10189	7.6
98.98467	100.0
99.08093	3.8
100.16753	3.3
100.62825	4.1
101.05961	4.7
105.07025	11.9
107.08592	6.6
109.10143	12.0
116.99485	4.8
119.08562	4.0
120.06614	6.7
120.59166	3.5
121.06535	3.5
121.10138	5.6
125.09651	7.2
133.10060	5.3
139.11183	4.3
149.05986	4.5
163.49960	3.2
173.11754	8.4
174.99234	3.9
189.11288	6.0
205.71573	4.0
206.81639	3.3
217.07358	5.6
229.07535	6.0
231.08945	3.7
245.10780	3.8
247.08723	4.4
254.84042	4.0
270.27975	4.6
275.19952	4.7
277.21674	8.4
287.78372	3.5
313.72400	3.5
330.29968	12.0
330.33551	5.2
331.15576	5.8
331.19003	5.5
349.16837	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05696	1.0
55.01883	1.1
55.05500	3.5
56.96559	3.9
57.07076	1.9
65.03950	1.1
67.05500	4.4
69.07082	2.0
69.33027	4.6
69.33459	6.2
70.06566	1.8
71.08626	1.8
79.05488	2.7
81.07053	6.2
82.07391	1.1
83.08603	2.7
87.04485	6.6
88.07619	2.8
91.05477	3.0
93.07047	3.7
95.04955	1.4
95.08599	3.1
96.86346	1.3
97.10165	2.9
98.20707	1.9
98.98465	100.0
99.08135	1.4
100.98899	2.4
105.07029	2.5
107.08553	1.9
109.10129	1.6
111.27158	1.1
116.99497	4.6
119.00663	1.0
119.08579	1.6
125.09595	2.3
135.11674	1.7
140.01070	1.6
145.10153	1.3
173.11949	1.4
173.13313	1.4
174.99249	3.9
175.11163	1.2
176.98967	5.3
189.11230	4.6
210.40114	1.1
269.10605	1.9
277.21655	1.6
287.11542	1.6
315.08469	1.5
326.11874	1.0
330.30103	7.0
331.16177	1.1
331.18964	10.1
348.48087	1.1
349.17068	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.9
65.78533	1.4
66.62666	1.5
67.05502	6.1
69.07074	2.6
69.44236	14.6
81.07057	3.0
87.04468	6.8
93.07069	2.4
97.87253	1.6
98.98464	100.0
100.98929	1.7
105.07023	1.6
107.08558	1.7
109.10177	4.5
116.99505	6.5
133.10139	1.9
140.01019	1.6
149.05978	1.9
172.13452	2.5
173.11702	3.9
174.99190	3.7
176.98935	6.9
206.40262	1.6
234.93503	1.6
263.29614	1.5
271.51196	1.5
303.77487	1.7
330.29947	5.4
330.33551	3.4
331.18768	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.5
55.05515	46.1
56.96547	5.4
57.07035	2.7
58.32428	2.6
67.05498	13.3
68.61605	2.4
69.03419	6.2
69.07070	12.1
70.04774	12.3
71.08637	3.1
74.94142	2.9
79.05499	15.7
81.07062	21.1
83.04991	4.5
83.08619	33.7
83.28546	2.6
85.06564	3.0
91.05466	5.9
93.07030	9.1
95.05066	2.5
95.08597	5.3
97.10175	64.6
98.98466	100.0
99.08140	4.1
100.98893	2.8
105.07035	6.8
107.08621	17.9
109.10155	7.3
117.13863	2.8
125.09641	55.6
126.09964	3.8
126.12827	3.6
135.08040	4.2
143.10709	5.9
153.09134	2.9
161.13225	3.6
171.10155	5.4
174.99220	4.4
176.98909	5.1
189.11224	94.7
277.21643	38.3
295.22635	7.7
330.29990	5.4
331.16080	3.2
349.16946	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66722	1.2
55.05506	4.0
57.03395	1.1
67.05509	7.5
69.07062	2.1
69.40959	10.5
78.13413	1.0
79.05497	6.8
81.03426	1.3
81.07057	4.4
83.08636	2.2
91.05465	3.6
93.07046	6.3
95.08604	4.1
98.98468	100.0
105.07042	2.7
107.08599	4.2
109.10157	5.9
116.99514	2.2
117.07002	1.3
119.08578	2.4
121.10117	2.3
147.11743	1.4
154.12326	1.8
164.25980	1.1
172.13354	3.5
173.11760	1.6
174.99222	7.8
176.98935	3.7
232.96503	1.6
250.97617	1.8
328.28424	1.3
329.17123	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
56.16138	0.6
67.05496	2.8
69.07069	1.7
70.45510	0.6
71.58726	0.8
79.05478	2.2
81.07052	4.2
86.29379	0.6
91.05473	2.6
93.07056	2.5
95.04957	1.2
95.08607	1.9
98.09697	3.0
98.98470	100.0
105.07050	1.9
107.08615	2.0
109.10175	0.8
116.99543	5.1
119.08582	1.4
125.09602	1.0
137.05966	0.9
140.01054	0.7
142.30045	0.7
147.11607	1.0
149.06038	4.4
174.99234	6.1
175.99542	1.0
176.98933	3.3
181.12413	0.8
189.11208	0.8
190.95464	1.2
195.13808	0.8
213.96646	0.7
221.87132	0.7
232.96451	1.0
250.97572	1.5
252.99557	1.0
263.20029	0.9
264.53412	0.7
275.20102	1.5
328.18933	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59834	1.0
53.03939	1.1
55.01867	2.2
55.05264	1.3
55.05512	20.9
57.03439	1.1
59.24670	1.0
67.05504	8.5
69.03414	3.9
69.07066	6.0
69.61638	4.2
69.62060	3.3
79.05482	9.5
81.07054	5.4
83.04978	1.3
83.08621	13.4
89.80137	1.0
91.05482	5.8
93.07034	4.3
94.47989	1.1
95.08587	2.5
97.10175	24.3
98.98464	100.0
105.07021	4.6
105.89559	1.0
107.08596	26.7
109.10171	1.9
111.08090	1.4
112.12045	1.5
116.99477	4.3
117.06968	1.2
119.08587	2.1
123.11684	1.2
125.09623	21.1
133.10071	2.7
135.08078	2.4
135.11693	1.3
145.10110	2.5
147.11633	1.3
158.16249	1.2
161.13264	1.2
168.78304	1.0
171.10139	1.7
174.99207	7.9
176.98923	3.6
189.11205	28.4
190.95285	1.6
232.96442	2.0
257.18954	1.9
275.20084	19.3
289.56863	1.2
332.66812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01852	1.4
55.05507	5.3
57.07052	2.5
64.19920	1.2
65.03930	1.6
67.05496	10.2
67.24158	1.3
69.07060	4.9
69.84338	6.0
71.08604	1.4
73.94778	1.0
74.70873	1.2
77.71374	1.2
79.05489	7.8
81.07056	13.0
83.08613	2.3
85.06555	1.5
91.05486	12.5
93.07043	20.7
95.04959	24.7
95.08607	15.4
97.06525	5.0
98.20847	1.8
98.98463	100.0
105.07035	18.1
107.08593	8.7
109.06503	4.7
109.10141	6.7
116.99502	3.5
117.07017	5.3
119.08579	17.3
121.06509	3.6
121.10117	8.7
123.08081	4.0
123.11675	2.5
128.06247	2.0
129.07027	3.4
130.07765	1.8
131.08578	8.1
133.10133	13.7
135.08090	3.8
135.11684	3.5
142.07793	2.7
143.08540	6.9
144.09351	2.3
145.10107	11.9
147.08038	1.7
147.11688	5.0
149.09641	1.6
152.06203	1.4
155.08536	1.8
156.09366	2.2
157.10132	7.5
159.08072	1.4
159.11681	10.6
161.09610	4.0
168.09244	1.7
169.10150	3.5
170.10963	2.5
171.11716	5.5
173.13280	3.9
174.99236	8.3
175.14815	4.0
183.11601	3.3
185.13300	2.0
187.11224	1.8
187.14856	4.3
195.11737	1.5
197.13313	4.4
199.14751	3.1
209.13232	3.4
211.14813	2.8
235.14941	1.5
277.21436	2.8
291.21014	1.9
295.22681	3.9
309.21887	1.6
327.07999	2.9
327.23135	4.8
329.22562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
53.65172	1.2
55.05494	3.5
57.07076	1.8
64.45206	1.5
67.05511	7.3
69.07060	5.7
71.59347	2.6
77.03934	2.4
79.05495	7.4
81.03405	2.1
81.07058	8.7
83.08613	2.7
84.84264	1.4
85.06546	1.7
91.05472	12.6
93.07045	20.7
95.04966	32.5
95.08603	15.9
97.06521	4.9
97.78839	1.4
98.98466	100.0
105.04520	2.4
105.07035	19.0
107.08594	10.9
109.06541	4.0
109.10158	6.2
116.99551	3.2
117.07006	5.2
119.08570	15.3
121.06516	6.0
121.10114	8.7
123.08080	3.3
123.11668	2.5
128.06258	2.1
129.07008	4.3
131.08572	8.9
132.22830	1.6
133.06514	3.0
133.10133	12.1
135.08034	4.2
142.07793	3.6
143.08545	6.1
144.09302	1.9
145.10118	11.0
147.11635	5.7
149.09595	1.7
152.06235	13.2
153.06981	10.8
155.08488	1.5
157.10121	7.8
159.11713	10.6
161.09631	4.0
168.05687	3.9
168.09438	1.7
169.06474	2.0
169.10130	4.3
170.10857	1.8
171.11676	5.1
173.13284	3.6
174.99268	7.1
175.14827	4.7
181.10191	1.9
183.11708	4.5
187.11223	2.6
187.14822	3.4
193.10048	1.7
195.11646	2.5
197.13240	3.6
199.14795	2.6
209.13318	3.4
211.14775	2.0
215.02580	3.4
217.15909	2.5
219.26512	1.5
225.16476	1.9
228.09338	3.2
233.03658	12.9
235.14857	3.1
251.04718	4.0
253.15810	1.5
265.19446	1.8
309.22101	3.5
327.07840	40.3
327.23215	4.0
328.08264	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	327.2165
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03954	0.6
55.01871	3.5
55.05499	1.4
65.03922	0.6
66.51419	0.6
66.90472	0.6
67.05500	3.3
67.54379	0.5
68.99786	2.1
69.03426	0.9
69.07061	2.1
79.05498	3.0
81.03415	1.4
81.07056	5.4
83.04979	1.6
90.04229	0.5
91.05469	3.2
93.03427	0.6
93.07053	1.4
95.04983	3.0
95.05511	0.5
95.08601	1.6
97.06528	2.2
98.21541	0.9
98.98468	100.0
103.63341	0.5
105.07030	1.7
107.04940	1.8
107.08606	1.2
109.06519	6.7
109.10157	1.7
111.00813	0.7
111.04456	1.2
116.99509	4.3
117.07027	1.6
119.08585	1.1
123.04429	15.2
123.08021	0.6
124.04848	0.5
124.89092	0.6
125.09641	2.6
127.03922	1.2
129.06990	0.7
131.04930	2.0
131.08527	0.7
133.06517	2.5
133.10178	0.8
135.04471	2.7
135.08089	0.6
137.05989	1.9
137.09573	1.2
139.03905	3.6
140.01083	1.2
145.06471	2.3
145.10144	1.0
147.04362	0.9
147.08028	0.6
147.70065	0.6
149.05981	0.8
151.03906	21.0
151.07530	0.8
152.04259	0.7
153.05507	0.8
153.06810	0.5
155.08626	1.1
158.07295	0.7
159.08040	1.0
161.02364	1.0
161.06012	2.5
161.09663	0.8
163.03993	0.8
173.06001	4.3
173.09697	0.8
174.99245	10.2
175.07480	0.9
177.05559	0.8
177.09071	2.8
183.08014	0.8
187.07581	1.8
189.05434	0.9
189.09128	0.6
197.05986	1.1
197.09685	0.8
199.07545	0.7
201.05475	3.3
201.09143	1.7
207.07880	0.7
211.07561	0.8
215.10670	1.1
221.05927	0.7
225.09161	0.7
228.07455	1.0
229.19777	0.8
239.07053	1.3
239.10588	0.9
243.10219	2.2
251.00082	1.1
253.04964	0.8
253.12195	0.9
263.10733	0.8
265.08578	0.6
266.05698	1.0
267.06531	2.1
267.10049	1.5
271.06036	1.3
281.11664	1.1
285.07651	0.8
285.11337	0.9
291.10138	0.9
291.19598	2.4
299.12677	0.8
309.11249	6.8
309.20636	3.7
312.09482	5.5
327.08878	0.8
327.12277	22.9
328.12561	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03937	0.9
55.01860	1.4
55.05485	0.7
67.05489	1.4
68.99794	1.1
69.03432	3.4
70.16288	3.2
79.05494	4.2
81.03408	0.9
81.07040	2.1
85.54394	0.6
89.01388	0.6
91.05462	6.5
93.07015	1.2
94.04195	3.4
95.04971	2.3
95.08624	0.8
97.02896	1.6
98.98461	100.0
103.05462	26.4
104.16174	0.6
105.07029	12.1
107.04959	3.8
109.06512	2.5
115.05471	2.5
116.99471	4.3
117.07077	3.4
117.65426	0.7
119.04958	1.8
120.41246	0.6
121.02794	0.7
121.06496	7.0
122.03648	7.4
123.04411	2.3
123.08047	1.2
128.06259	1.1
129.07013	0.8
131.04922	24.7
133.06487	38.7
135.04453	0.8
135.08043	14.0
136.05183	1.0
137.05969	94.3
138.06331	1.9
139.03876	1.0
143.04924	1.2
143.08612	0.9
144.05634	0.9
145.06477	8.0
145.10153	0.7
147.04457	0.8
147.08035	2.7
149.05989	2.9
151.07538	13.4
157.06509	3.1
160.05182	1.7
161.05980	1.0
162.06718	0.9
163.07536	55.5
164.07930	0.9
171.08037	1.5
173.05988	3.0
174.99217	9.5
175.07571	4.1
177.09134	2.7
187.07527	2.1
189.09116	4.6
191.07034	7.1
197.05844	0.8
199.07582	1.0
202.07709	0.8
203.10693	1.8
217.10190	0.8
217.62689	0.6
220.08798	1.2
221.06041	1.1
225.05432	1.1
235.07480	0.7
235.11217	2.3
245.09567	1.4
248.08267	0.7
249.05652	0.7
250.99887	1.1
263.10495	3.0
263.15350	0.8
264.16016	0.6
267.06561	3.1
267.09393	0.7
281.11917	0.6
285.07605	5.4
295.09912	0.9
295.13239	8.2
327.08331	1.5
327.12286	5.8
327.15866	5.6
327.19388	1.2
328.12628	1.0
328.16284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
67.05499	0.3
69.52051	0.2
69.78571	1.2
79.05498	2.8
81.07065	0.3
84.46996	0.2
91.05467	0.5
95.04975	0.6
98.20839	0.4
98.98468	15.4
103.05486	1.9
105.07034	26.1
106.07346	0.3
107.04959	3.5
115.05459	1.0
116.99522	0.7
123.04457	0.5
131.04916	0.5
133.06496	100.0
134.06818	2.2
135.04427	3.3
140.23102	0.2
147.04388	0.5
147.08051	0.6
161.06007	0.3
161.09706	0.3
174.99249	1.4
175.00548	0.2
176.11914	0.2
177.53883	0.3
181.06787	0.2
189.09100	1.5
207.10155	4.1
229.07431	0.3
233.11678	0.3
255.10089	1.8
271.09790	0.3
281.15363	0.3
327.15970	4.0
327.19800	0.6
332.88455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Broussinol
Peak:m/z	Relative Intensity
53.03932	0.4
55.01871	1.0
63.10987	0.2
69.07059	1.1
69.38128	0.5
69.38541	2.0
79.05499	2.8
81.07056	0.4
88.49382	0.2
91.05446	0.6
92.75618	0.2
93.35726	0.2
95.04974	1.0
98.20721	0.4
98.98467	27.6
103.05486	2.5
105.07030	29.8
106.07368	0.5
107.04954	1.9
110.00225	0.2
115.05449	1.1
116.99500	1.3
121.06548	0.3
123.04437	0.5
131.04935	0.4
133.06490	100.0
134.06821	1.5
135.04408	0.8
137.06000	1.2
140.01018	0.3
146.08453	0.2
147.04417	1.7
147.08093	0.7
147.70906	0.2
149.06059	0.2
149.67081	0.2
161.05960	0.4
174.01643	0.3
174.99225	3.0
189.09070	2.3
189.57198	0.3
207.10162	0.9
215.10616	0.4
255.10162	0.5
271.09613	1.2
284.61157	0.3
309.14691	1.2
327.15775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01854	1.0
70.72084	0.4
70.72421	0.4
79.05488	2.3
91.05469	0.5
95.04978	0.6
98.98465	18.6
103.05459	1.6
104.61887	0.2
105.07028	25.6
106.07401	0.5
107.04953	3.8
107.45023	0.2
115.05450	0.9
116.98727	0.3
116.99515	0.7
123.04392	0.5
131.04958	0.4
133.06488	100.0
134.06828	2.1
135.04413	3.6
147.04375	0.4
147.08058	0.7
157.42935	0.2
161.06006	0.5
161.09616	0.4
174.99211	2.0
189.09117	1.8
207.10159	5.5
233.11661	0.5
255.10178	2.1
281.15771	0.3
327.12305	0.4
327.15918	4.0
328.16263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1586
Annotation	Manuifolin H
Peak:m/z	Relative Intensity
53.03938	0.9
55.01868	1.6
59.54263	0.8
65.03948	0.8
68.99783	5.6
69.07068	0.8
69.85796	5.3
79.05488	5.3
81.07060	3.9
90.62013	0.8
91.05444	1.6
93.07008	1.4
95.04939	1.2
98.21442	1.6
98.98463	32.0
103.05453	3.3
105.07032	16.5
107.04971	4.1
116.99460	1.0
121.06494	5.8
123.04461	4.2
133.06490	55.6
133.89943	0.8
134.06857	1.2
135.04407	78.7
137.05936	1.5
147.04425	1.2
149.05972	34.4
161.05984	1.8
163.58507	0.7
174.99217	3.8
189.09010	1.4
191.10663	100.0
192.11034	2.5
217.12172	0.9
230.98953	0.7
271.09711	1.2
327.15775	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	326.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.6
55.05488	1.0
56.05020	0.9
57.03416	1.4
57.11867	0.4
61.92820	0.4
67.05479	1.0
68.05006	1.0
69.03426	2.6
69.07062	1.0
70.03754	0.5
70.06579	0.7
70.97540	0.9
71.04971	1.0
72.08131	0.6
79.05489	2.4
80.04995	1.3
81.03415	2.5
81.07056	2.0
82.03728	0.5
83.08611	0.6
84.04502	7.2
84.08121	0.6
85.02901	9.8
87.04492	0.4
91.05479	1.9
93.07034	6.1
94.06558	1.2
95.04948	0.8
95.07364	0.5
95.08598	1.5
96.04447	0.5
96.08121	0.7
97.02872	1.2
97.85808	0.4
98.02415	0.6
98.06026	0.7
98.98465	47.9
99.04439	1.0
102.05527	1.5
105.07009	0.9
107.08599	2.8
107.57603	0.4
108.08117	21.1
108.08860	1.0
109.06559	0.4
109.08891	0.9
109.10167	0.5
110.09658	1.7
114.05500	1.5
116.99483	1.6
117.05369	0.4
118.06535	0.7
119.08615	1.1
122.09668	11.6
123.10424	1.8
126.05476	0.6
131.03407	0.7
133.02823	1.3
133.10112	0.6
134.03178	0.7
135.11699	4.1
136.07597	0.7
136.11217	3.5
137.05945	0.5
138.06227	0.4
142.04947	0.8
146.07901	0.5
147.09148	0.9
148.09525	0.5
148.11246	0.5
150.12781	22.0
151.13565	8.0
152.14325	8.2
160.06001	0.5
164.07071	0.8
164.10703	0.6
166.12315	0.7
173.07172	0.4
174.07437	0.7
174.99202	4.2
190.15926	0.8
191.08142	3.5
192.08513	8.6
194.11852	0.5
198.39842	0.4
208.13318	1.5
210.07593	1.6
228.12329	1.0
236.16441	1.7
238.10701	0.8
251.00006	0.7
252.12257	1.8
264.15839	1.2
282.16992	100.0
283.17334	1.7
284.18625	2.5
308.10086	0.5
308.13159	2.6
308.18460	0.5
316.16647	0.4
326.19614	53.7
327.19800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
56.05035	1.1
57.03433	1.2
57.96436	0.5
59.04760	0.6
63.43420	0.6
67.05488	1.3
68.05025	1.2
69.03432	4.2
69.07063	1.0
70.00438	3.0
79.05492	3.1
80.04999	1.8
81.03405	1.4
81.07056	3.1
82.06576	1.1
83.04984	0.5
84.04513	7.4
85.02905	10.7
90.67483	0.6
91.05492	2.8
93.05779	0.5
93.07041	6.5
94.06562	1.2
94.43258	0.6
95.04928	0.6
95.08613	1.7
96.08133	0.7
97.02883	2.4
98.02394	1.0
98.98466	42.4
102.05532	1.3
103.05446	1.2
105.07015	2.0
107.04906	0.6
107.08590	3.7
108.08114	21.8
109.06528	0.5
109.08915	1.1
109.10142	1.0
110.09695	2.6
114.03156	0.5
114.05531	2.0
116.99486	1.9
119.08582	1.4
122.02746	1.0
122.03584	0.8
122.09672	12.3
123.10440	1.8
130.04977	0.8
130.75011	0.5
131.03439	0.9
131.04919	1.9
133.06480	2.2
133.10124	1.0
134.09648	0.5
135.08023	1.0
135.11684	4.7
136.11214	3.9
137.05980	6.1
147.04419	0.6
148.11162	0.7
150.12787	23.0
150.14011	1.2
151.13576	7.5
152.07048	0.9
152.14333	7.4
153.15120	0.9
154.16017	0.6
163.07565	3.2
174.99275	4.6
175.37698	0.6
177.12569	0.7
180.06541	0.6
190.15862	0.8
205.12364	0.6
208.13335	2.2
210.07623	1.1
228.12357	0.9
236.16449	1.2
252.12326	1.4
280.15439	0.9
282.16998	100.0
283.17273	1.6
284.18536	4.6
293.39160	0.6
295.13251	0.9
326.19611	49.8
327.19736	1.3
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	Awajanomycin
Peak:m/z	Relative Intensity
53.03954	0.8
53.86026	0.7
55.01862	3.1
55.05511	8.8
56.87292	0.8
57.03433	1.1
67.05499	1.4
68.05025	6.2
69.03412	2.3
69.07056	2.0
70.29778	0.8
70.41896	1.4
70.42290	2.0
70.54086	0.7
71.04992	23.8
79.05472	4.0
80.05016	50.8
81.03408	2.2
81.07037	3.4
82.06611	0.9
83.08623	2.9
91.05457	2.0
93.07022	1.6
94.06561	3.2
95.04944	0.9
97.10154	2.8
98.62737	0.9
98.98463	75.8
99.04452	7.4
103.05501	0.9
105.06989	1.6
105.10242	0.7
106.06555	10.9
107.04948	2.1
107.08572	2.0
108.05325	0.9
116.99488	2.6
117.07021	1.2
118.06532	4.3
119.08597	1.0
120.08114	8.2
132.08076	4.7
134.06003	1.8
134.09663	2.0
137.05965	1.5
140.00986	1.1
148.07533	2.4
150.09102	1.4
160.07552	5.2
160.11198	0.9
166.08633	6.6
172.11322	0.9
174.12784	4.3
174.99205	5.8
176.14275	0.8
178.08629	82.5
187.25192	0.9
191.10721	1.2
192.10211	2.1
192.13841	9.6
196.09702	3.3
202.15865	1.8
210.14882	6.1
221.40314	1.0
230.15422	5.5
244.16995	1.5
248.16512	7.4
250.99844	0.9
254.15393	0.8
262.18115	2.7
272.16452	7.9
290.17493	54.9
291.17981	1.1
308.18527	18.6
326.19604	100.0
327.08359	1.0
327.19922	1.4
333.83820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1597
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
51.25928	0.7
53.03929	1.3
53.17531	0.7
55.01865	10.9
55.05502	3.9
56.05032	5.8
61.78524	0.9
69.03425	3.9
70.06594	15.4
71.04989	16.0
71.57906	1.1
79.05489	1.5
81.03410	2.3
85.02923	0.8
85.17725	0.8
91.05479	2.5
95.04963	1.5
97.02947	0.9
98.06049	55.6
98.98461	86.1
99.04445	11.4
105.07022	9.1
107.04951	75.1
108.05271	1.3
113.34245	0.9
116.07087	100.0
116.99497	3.2
117.05503	3.7
119.08588	2.5
126.05518	1.2
132.05750	0.9
133.06487	37.3
134.08122	29.4
140.01091	0.9
140.07051	13.1
142.05045	1.5
147.04379	1.2
147.08057	9.3
158.08141	4.1
160.06064	2.8
166.08653	5.7
174.99240	9.8
175.07559	3.2
178.08609	1.2
182.04915	1.1
184.09680	13.6
202.10716	7.2
208.02911	1.4
246.51244	0.8
272.12900	0.8
290.13840	24.0
308.14914	44.0
326.15933	6.4
338.63922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01876	13.3
55.05493	4.9
56.05032	7.9
57.03423	3.4
58.30452	1.0
59.04992	0.9
60.29623	1.2
67.05499	5.2
67.79928	0.9
69.03419	1.5
69.94857	4.6
70.06595	10.4
71.04990	12.9
78.14128	1.1
79.05495	8.0
79.73146	1.0
80.05010	1.6
81.03416	9.4
81.07069	9.8
82.02937	1.0
82.06563	1.9
84.04503	1.4
91.05476	3.6
93.07061	5.5
94.02910	1.7
94.06541	4.4
95.04942	3.1
95.08600	2.6
96.04501	1.9
96.08105	2.8
97.06499	3.5
98.06055	16.9
98.09702	1.2
98.98470	76.1
99.04441	5.8
105.07023	6.8
107.04946	3.1
107.08598	2.6
108.04504	1.4
108.08087	2.1
108.58379	1.1
109.06517	4.3
109.10130	1.5
109.21117	1.0
110.06001	3.1
116.07090	3.5
116.99470	2.3
119.08601	1.5
121.06457	1.4
121.10128	2.5
122.06007	4.2
122.09634	2.3
123.08072	5.3
126.05492	4.0
131.04973	1.2
133.06483	26.2
134.09616	2.2
135.04378	1.6
136.07600	2.3
136.11217	2.6
137.09621	1.8
140.07004	1.2
144.06578	2.4
147.04353	1.5
150.09151	3.8
154.08641	1.6
164.07129	1.3
164.10732	11.6
166.13507	1.5
174.99229	7.7
178.08698	1.7
182.08192	1.9
187.99052	1.1
207.10143	1.9
207.91219	1.2
210.07664	11.0
210.11250	6.2
220.16878	1.6
224.12770	1.3
229.07440	1.0
238.10742	4.8
250.14398	15.0
252.15982	17.0
266.13898	11.6
268.15341	2.2
280.15439	100.0
281.15851	2.2
293.19855	9.0
308.18533	3.0
309.19238	3.2
326.19608	61.7
327.16190	1.3
327.19839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96194	1.0
53.03931	1.1
55.01870	9.3
55.05512	4.2
56.05037	5.9
61.17029	0.8
69.03421	3.5
70.06596	15.8
70.74633	0.8
71.04993	13.2
71.34324	1.5
81.03397	1.9
91.05469	3.0
96.08173	0.8
97.02885	0.8
98.06054	53.3
98.98463	100.0
99.04449	10.9
99.93839	0.9
105.07030	6.6
107.04953	66.0
111.68745	0.9
116.07091	90.0
116.99496	3.8
117.05490	3.4
119.08572	2.8
120.08062	1.0
123.32869	1.2
133.06491	33.0
134.08125	26.6
135.83200	1.0
140.07069	9.9
141.86790	0.9
142.04996	1.1
142.08704	1.0
147.08081	8.7
158.08121	4.5
160.06081	1.5
164.06999	0.9
165.05592	0.9
166.08656	5.6
174.99225	11.0
175.07530	3.0
178.08664	1.0
184.09706	9.2
185.69182	0.9
202.09001	1.0
202.10732	4.7
208.02884	1.5
230.11900	1.3
248.41154	1.1
250.99965	1.1
290.13876	22.4
308.14917	34.8
326.16037	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	326.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56351	0.5
53.03933	0.6
55.01868	1.5
57.03406	0.6
61.02921	1.1
64.35605	0.5
66.11718	0.5
69.03433	6.1
69.75287	1.7
69.75700	1.1
70.06583	0.8
71.04987	1.5
73.02906	0.8
81.03415	3.4
85.02905	13.7
86.54899	0.4
87.00820	6.9
90.33359	0.5
97.02895	4.4
98.06066	0.8
98.21400	0.7
98.98466	100.0
99.04454	1.6
105.01868	11.3
107.04958	1.0
108.08077	0.6
109.02879	3.8
114.48976	0.5
116.07093	1.2
116.99503	5.0
118.06545	0.6
127.03918	10.5
135.70714	0.5
137.08321	0.5
140.01056	1.0
145.04977	3.1
146.05995	1.8
159.02896	1.3
163.03908	0.9
164.07045	1.3
165.79300	0.5
166.12274	1.5
174.99237	9.4
177.00452	0.5
179.86359	0.4
218.07913	0.5
231.05022	2.3
249.06073	1.0
250.99983	1.3
282.17203	1.1
326.19659	2.5
327.07736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01873	0.9
56.00605	0.7
56.89302	0.9
57.03455	0.9
69.03434	7.9
71.04986	2.1
71.10998	1.8
73.02918	1.7
81.03412	5.8
85.02910	25.5
87.00827	11.1
97.02892	7.4
98.98470	100.0
99.04446	2.6
105.01878	17.5
109.02869	4.9
111.04479	0.9
116.99521	5.2
127.03911	15.9
140.01076	1.0
145.04935	5.8
146.06056	1.9
159.02936	2.1
163.04060	1.0
166.12254	1.8
174.99237	9.7
231.05038	2.4
282.17099	2.0
326.19733	2.6
331.97821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01858	16.5
55.05507	26.6
57.03444	7.7
65.72160	4.6
67.05508	43.1
69.06766	4.4
69.07072	40.0
70.01620	26.6
71.04982	7.0
71.20617	4.5
73.06551	6.3
79.05490	35.5
81.06644	6.6
81.07065	73.0
83.04966	8.2
83.08621	21.4
85.06541	7.8
89.03925	10.2
91.05479	35.9
93.07043	42.9
94.07384	4.4
95.04951	17.0
95.08607	38.8
97.06513	14.8
97.10181	9.1
99.08027	4.4
105.07048	24.7
107.04935	6.7
107.08588	29.0
109.06526	11.8
109.10144	17.6
111.08025	5.1
116.04961	23.4
117.05820	26.5
117.07016	8.8
118.06101	6.1
119.08586	21.8
121.10149	21.6
123.08076	8.3
123.11707	5.4
125.09607	6.4
128.04979	18.5
129.72380	5.1
131.08551	9.9
132.04457	62.0
133.06451	9.0
133.10115	17.6
135.11678	18.8
138.01071	6.9
139.01422	6.9
140.00711	12.6
145.10078	14.0
146.05992	23.0
147.06319	8.3
147.11678	18.1
149.09587	10.5
153.12762	7.4
153.48694	4.9
157.10204	6.3
159.11697	10.2
163.11179	10.3
165.12816	5.8
171.11655	6.1
173.13249	9.7
181.01628	6.2
183.01530	6.8
184.32268	4.4
204.08092	19.3
205.08479	21.2
217.07190	5.5
218.08449	29.6
219.08813	28.8
230.04958	5.3
232.07408	22.1
233.07906	22.0
234.13763	4.7
240.21391	5.6
246.07777	9.2
247.08331	15.3
247.20802	8.9
253.05096	7.4
254.05739	29.4
255.04930	39.3
259.16669	5.0
261.08923	12.0
262.09235	5.3
263.20117	8.1
266.04654	5.7
275.20035	42.1
280.03986	5.4
282.05090	19.8
282.92926	5.0
283.04437	10.3
288.07443	8.6
289.08044	9.6
293.21188	18.9
296.06085	5.8
297.06155	89.4
298.05542	89.0
307.22461	11.5
325.05701	100.0
326.04926	94.9
334.87589	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
55.01884	11.0
55.05502	45.8
57.03439	9.1
65.90856	8.2
67.05494	49.5
69.07063	54.8
69.88797	39.2
79.05493	56.8
81.07059	100.0
83.04968	14.6
83.08595	18.6
88.20570	7.7
91.05499	41.0
93.07035	54.5
95.04988	21.2
95.08614	56.4
95.81512	8.2
97.06560	14.7
97.10182	8.2
98.20796	15.8
99.87350	7.9
105.07039	43.7
106.07370	7.6
107.04957	9.5
107.08608	51.9
109.06518	18.0
109.10172	30.8
111.04529	9.3
117.07057	16.1
119.08588	35.7
121.06505	9.3
121.10139	27.5
123.08083	10.3
123.25319	7.0
131.08565	14.7
133.10155	37.2
135.11679	26.4
137.09570	15.0
145.10185	19.2
147.11713	30.7
149.09604	20.6
153.12761	17.0
157.82574	7.3
161.13202	10.4
163.11107	15.4
165.12724	11.5
171.11659	10.1
173.13235	8.8
175.11128	18.3
175.14973	8.8
215.17928	8.2
239.18025	12.0
247.20580	8.4
257.19125	12.3
263.20059	17.8
275.20078	71.4
291.88712	8.7
293.21045	29.4
295.22903	12.9
307.22681	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	15.1
55.05510	52.4
57.07070	18.9
60.66372	8.3
61.70140	7.7
62.80618	8.3
66.23045	8.8
67.05508	100.0
69.03452	8.1
69.07068	51.5
69.52324	7.6
70.56687	25.3
70.57085	15.9
71.04991	12.1
76.98782	8.2
79.05473	54.0
81.03407	20.5
81.07063	89.3
83.04962	19.5
83.08624	30.5
91.05462	28.8
93.07027	59.0
95.04966	47.9
95.08612	62.4
97.10185	35.0
97.42792	8.2
105.07017	81.2
107.04961	31.1
107.08595	37.6
109.06524	14.7
109.10139	55.2
117.07039	8.4
119.08603	32.5
121.10162	31.4
122.09677	21.5
123.08112	12.0
125.09660	22.1
127.46776	7.9
128.07280	7.6
129.06955	8.5
133.06543	14.4
133.10045	12.0
135.08011	12.4
135.11716	11.6
137.09651	14.5
139.11194	19.0
143.03897	8.6
145.10121	21.9
147.11710	17.1
149.09612	18.4
157.10191	9.3
159.11661	10.4
163.03900	30.7
163.07513	9.5
163.11147	21.1
167.03392	10.8
170.79689	8.8
173.13432	9.0
203.12625	10.2
223.13211	12.1
265.94290	9.7
270.14777	17.8
275.20001	37.7
278.37637	11.1
293.21167	30.4
325.17813	95.5
325.26266	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	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03940	5.6
55.01872	12.8
55.05516	39.3
56.96560	12.0
57.03422	8.6
57.07065	9.9
65.03946	7.5
66.64536	3.9
67.05502	85.7
69.03432	17.6
69.07071	23.6
69.07374	4.1
70.04313	24.1
71.04987	12.8
71.08630	54.4
78.78444	4.7
79.05491	53.2
81.03414	14.1
81.07057	53.4
83.04978	36.1
83.08613	24.1
85.02921	10.0
85.06551	5.9
91.04947	8.4
91.05461	47.5
93.07048	53.1
95.04433	7.1
95.04976	64.2
95.05555	6.1
95.08607	74.0
97.06524	17.6
97.10190	15.8
98.21468	4.6
98.97617	6.1
99.08086	43.4
105.07026	49.4
107.04950	11.9
107.08590	32.1
109.06509	16.6
109.10149	68.2
111.08049	4.9
116.98669	6.9
117.07037	16.8
119.08585	47.2
121.06497	15.1
121.10139	27.5
123.08085	9.7
124.04942	4.3
125.09676	11.3
127.11227	4.3
128.06236	8.0
129.06996	9.7
130.07855	5.5
131.08585	23.8
133.06462	14.3
133.10101	26.0
134.99675	12.8
135.08066	14.3
135.11705	10.9
136.81343	4.5
137.09619	23.1
139.11194	49.8
141.12781	4.3
142.06726	4.5
142.07779	12.8
143.08574	18.6
145.06526	6.2
145.10075	26.1
147.08093	4.6
147.11684	7.4
149.09634	10.9
149.13214	8.4
151.11200	40.8
153.06911	8.3
155.08572	6.4
155.10641	30.4
156.09315	9.6
157.10094	25.3
159.08090	7.4
159.11719	21.0
161.09592	21.8
163.07501	7.0
163.11201	12.1
165.06964	5.6
165.12668	6.8
165.73004	5.0
168.09363	4.8
169.10123	18.1
170.09645	18.4
171.11679	19.5
173.09624	12.6
173.11771	19.1
173.13200	7.7
173.37170	5.1
177.12778	19.5
179.10713	6.4
181.10112	8.8
183.11670	18.4
184.07617	6.0
185.13275	5.2
187.11166	9.7
187.14851	6.5
191.14452	7.4
193.10124	7.8
195.11743	10.7
195.13695	5.7
197.13292	16.7
198.09189	15.1
199.11305	4.7
205.10306	5.2
207.11670	10.7
208.12460	5.6
209.13239	10.0
218.10805	4.9
221.13254	4.9
223.14890	9.7
225.12704	5.3
225.16435	12.1
229.12308	7.3
233.13092	7.2
235.14929	4.8
241.15961	6.0
247.20561	7.9
249.16351	8.0
257.19049	8.6
269.15402	5.9
272.52515	4.4
275.20114	36.5
283.12250	5.2
293.21115	100.0
297.21967	5.9
307.20151	8.0
307.23083	9.1
325.14136	7.5
325.21243	41.5
349.16721	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01881	12.6
55.05511	40.1
57.03433	6.8
57.07059	7.4
67.05169	4.3
67.05504	52.6
69.03430	4.2
69.07072	32.3
69.27920	27.2
71.05002	4.8
71.08619	4.9
79.05499	32.8
81.03394	4.5
81.07059	52.9
83.04976	11.1
83.08617	21.3
85.02912	5.2
85.06536	5.2
85.10204	7.3
91.05482	27.4
92.90662	2.1
93.07042	31.3
95.04089	2.1
95.04959	14.6
95.08613	37.8
97.02886	5.0
97.06529	7.6
97.10146	11.2
99.04453	2.5
99.08090	6.2
105.07029	26.0
107.04951	9.4
107.08587	26.8
109.06510	7.3
109.10164	23.6
111.04449	7.8
111.08071	9.3
113.09645	4.9
117.07022	9.2
119.08594	12.7
121.06501	9.7
121.10149	16.2
123.08059	8.4
123.11724	8.6
125.05939	2.2
125.09630	14.0
131.08589	11.0
133.06508	2.9
133.10129	31.4
135.08031	4.5
135.11687	17.9
137.09605	8.9
139.11240	2.6
141.09077	2.8
145.10114	9.1
147.08054	2.7
147.11693	7.1
149.09641	7.8
149.13255	3.0
151.11172	21.8
153.12779	4.6
157.10146	3.6
159.11687	6.6
161.06146	2.3
161.09645	2.3
163.03909	4.6
163.11172	15.3
164.66179	2.0
165.42752	2.5
167.10632	3.3
169.12267	2.7
173.09671	2.7
173.13287	2.8
177.12634	3.7
179.10576	2.6
181.12257	11.7
183.13812	4.2
195.13861	4.7
205.12212	2.7
209.11609	3.3
209.15283	2.8
219.13788	2.4
223.13229	4.1
229.19511	3.8
247.20633	13.2
257.19009	6.4
265.21606	10.8
275.20081	37.0
293.21100	100.0
294.21564	3.0
307.22766	6.8
325.23730	12.9
325.27170	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
53.13102	4.0
55.01859	12.7
55.05511	71.2
57.03424	14.8
57.07063	11.8
65.03949	4.1
67.05175	5.8
67.05508	98.6
69.03423	8.5
69.07072	55.7
70.19999	15.0
71.04998	5.7
71.08620	7.1
79.05495	55.2
81.03407	6.8
81.07056	100.0
83.04974	20.8
83.08616	38.5
85.02897	5.2
85.06534	13.2
85.10162	7.5
91.05478	48.7
93.07043	68.1
95.04959	34.6
95.08605	66.1
97.06538	14.7
97.10184	20.0
98.21489	3.9
99.08086	4.0
105.07039	48.3
107.04948	17.1
107.08588	48.6
109.06487	18.8
109.10168	51.2
111.04433	5.8
111.08059	10.2
113.09637	11.1
117.07008	14.6
119.08592	27.6
121.06499	17.6
121.10149	23.6
123.08069	11.0
123.11717	15.2
125.09631	17.9
131.08557	15.4
133.06471	5.7
133.10149	59.7
135.08034	8.3
135.11705	22.0
137.09602	8.8
137.13307	4.2
139.11182	4.1
141.09073	7.4
143.08661	6.7
145.10110	20.1
147.08032	5.7
147.11710	13.2
149.09615	14.1
149.13263	5.1
151.11174	65.5
153.12720	8.9
157.10161	4.6
159.08028	5.1
159.11687	18.9
161.09654	7.1
161.13229	7.5
163.03847	6.7
163.11192	16.8
165.12746	8.8
165.79738	3.8
169.10178	4.4
173.13190	10.1
177.12717	8.5
179.10674	10.0
181.12219	20.5
183.12395	3.7
183.13750	23.4
185.13268	5.0
187.11237	5.6
191.14311	8.3
209.15335	4.5
223.13376	5.1
229.19440	4.6
247.20598	29.0
257.19046	11.2
265.21545	16.3
275.20081	66.1
284.84448	4.7
293.21112	97.4
307.22549	19.7
325.23825	10.6
325.27515	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.2
67.05500	8.0
69.03423	1.8
69.07069	6.2
70.84681	1.0
70.85019	2.4
71.08625	10.3
79.05491	6.8
80.39838	0.8
81.07056	7.7
83.04945	1.0
83.08614	5.9
91.05477	4.3
93.07060	5.6
95.04967	3.0
95.08614	4.0
97.10170	9.2
99.08099	8.4
105.07049	2.6
107.04964	2.7
107.08565	6.8
107.47129	1.0
108.05746	1.2
109.06545	2.6
109.10146	2.2
117.07063	1.8
117.19886	0.9
119.08602	1.2
121.06534	6.5
121.10158	1.3
123.08092	1.1
125.09633	11.8
131.08568	1.5
133.06531	1.2
135.08076	3.0
135.11655	1.6
153.09091	1.9
159.11690	2.3
163.11195	1.1
165.12714	1.9
167.10725	1.0
177.12770	2.8
203.12775	3.6
247.20514	1.1
257.19086	1.6
275.20197	4.7
293.21100	100.0
294.21487	5.0
307.22659	20.1
325.28784	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12245	0.5
53.03936	0.8
55.01858	0.7
55.05508	2.1
56.05021	1.8
57.01661	0.6
57.03424	0.9
67.05499	1.6
68.05015	2.4
69.03418	2.1
69.07060	2.2
70.06592	2.5
71.04990	1.0
71.59423	0.6
72.08148	1.2
73.00777	0.5
79.05487	5.4
80.05022	1.7
81.03412	1.5
81.07053	2.8
82.06573	1.4
83.04990	0.9
83.08620	0.6
84.04503	16.7
84.08135	1.6
85.02902	20.2
86.06064	7.7
87.04459	1.4
89.03923	0.7
91.05463	2.1
93.05795	0.9
93.07049	6.9
94.06547	0.9
95.01326	1.9
95.04971	1.0
95.08638	1.2
96.08134	1.6
97.02879	1.4
97.06525	0.5
98.06048	1.7
98.09708	0.6
101.07201	0.5
102.05543	8.7
105.03374	0.6
105.07021	1.5
106.06479	0.8
107.04958	1.3
107.08583	3.2
108.08114	47.4
109.06493	0.6
109.08952	1.0
109.10145	1.4
110.09686	4.9
112.03974	1.9
114.05506	1.5
116.07069	0.6
117.03381	0.7
119.08549	1.7
120.08105	0.7
120.69238	0.6
121.08897	0.5
121.10132	1.3
122.05997	0.6
122.09652	4.2
123.10437	1.7
123.11680	0.6
124.11245	1.2
127.03982	0.6
129.10205	0.6
130.05000	83.5
133.02852	6.0
133.10133	0.8
134.09671	2.5
135.04362	1.5
135.11691	6.2
136.11203	1.2
137.05965	2.4
138.09120	1.1
142.04919	0.8
143.11868	0.7
148.11234	0.6
149.06021	1.0
149.13205	0.6
150.12779	14.4
151.13556	2.3
152.14337	100.0
153.14767	0.6
154.15897	4.1
161.13206	0.7
163.03862	1.4
164.07083	0.7
164.14395	0.7
165.05548	0.7
167.07013	0.9
168.06572	0.6
171.06514	1.1
177.06920	0.7
178.15889	3.1
180.06519	0.6
191.08150	3.0
192.13838	0.7
193.05020	0.6
193.13412	0.9
196.16965	33.5
201.05476	1.2
205.06410	0.9
218.15428	0.7
220.16835	0.5
221.05957	0.8
222.06691	1.2
233.05971	0.8
233.09738	0.5
235.18109	3.6
236.16501	1.2
237.19576	0.8
239.07072	0.6
249.36339	0.6
250.06189	1.3
261.19614	1.3
264.15936	15.9
265.08618	1.1
266.17505	1.1
278.05801	0.8
281.18594	78.3
283.20135	2.4
291.05417	0.6
292.07318	1.3
293.08069	1.4
307.09607	1.6
307.12756	0.7
307.20181	0.9
308.18585	5.0
325.10712	1.6
325.21210	67.9
326.21399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	22.5
55.01859	9.1
55.05508	40.0
57.03424	9.2
58.80281	2.9
63.91739	4.1
65.03923	4.5
67.05173	4.3
67.05501	50.9
69.03426	3.9
69.07062	13.4
69.83630	19.7
71.04991	29.2
74.47041	3.0
74.52522	2.8
79.05492	64.9
81.03419	34.0
81.07055	100.0
83.04972	33.8
83.08614	8.6
85.06540	7.3
91.05476	43.3
93.07042	47.1
95.04958	32.3
95.08598	42.9
97.06538	10.5
97.10153	6.6
98.21484	6.0
101.06039	5.6
103.05474	5.9
105.07030	37.1
107.04955	28.6
107.08612	19.2
108.96486	2.8
109.06526	37.5
109.10153	12.0
111.04419	3.7
111.08067	12.3
117.06984	21.3
117.08940	3.2
119.04979	3.5
119.08591	23.3
121.06506	11.9
121.10163	17.6
123.04443	10.3
123.08056	19.3
125.05920	3.5
125.09647	7.7
127.07657	3.4
129.07007	9.1
131.04970	4.3
131.08569	20.1
133.06491	11.1
133.10132	18.0
135.08066	11.8
135.11676	8.1
137.06009	5.0
137.09615	6.1
141.06990	6.8
142.07800	4.3
143.08533	7.2
145.03194	3.7
145.06491	10.5
145.10100	14.0
147.04443	4.7
147.08044	10.5
147.11702	9.5
149.06042	5.2
149.09633	6.1
151.07561	5.3
155.08548	5.6
157.10095	8.9
159.08035	11.0
159.11697	14.0
161.09621	7.8
161.13258	5.6
163.03894	3.6
163.07564	4.3
163.11186	4.3
169.10175	5.8
171.11702	9.5
173.09676	6.5
175.07629	4.6
177.12758	6.9
183.10213	4.5
183.11711	4.0
187.11180	7.7
189.09099	8.3
189.12776	4.5
207.13802	12.3
233.15431	6.3
237.14778	7.4
243.17445	4.6
247.13290	3.1
261.18542	9.0
271.16986	13.3
289.17966	46.5
291.97229	3.0
304.70129	2.9
322.33820	4.4
325.10666	9.9
325.14145	7.9
325.20016	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	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	22.5
55.01859	9.1
55.05508	40.0
57.03424	9.2
58.80281	2.9
63.91739	4.1
65.03923	4.5
67.05173	4.3
67.05501	50.9
69.03426	3.9
69.07062	13.4
69.83630	19.7
71.04991	29.2
74.47041	3.0
74.52522	2.8
79.05492	64.9
81.03419	34.0
81.07055	100.0
83.04972	33.8
83.08614	8.6
85.06540	7.3
91.05476	43.3
93.07042	47.1
95.04958	32.3
95.08598	42.9
97.06538	10.5
97.10153	6.6
98.21484	6.0
101.06039	5.6
103.05474	5.9
105.07030	37.1
107.04955	28.6
107.08612	19.2
108.96486	2.8
109.06526	37.5
109.10153	12.0
111.04419	3.7
111.08067	12.3
117.06984	21.3
117.08940	3.2
119.04979	3.5
119.08591	23.3
121.06506	11.9
121.10163	17.6
123.04443	10.3
123.08056	19.3
125.05920	3.5
125.09647	7.7
127.07657	3.4
129.07007	9.1
131.04970	4.3
131.08569	20.1
133.06491	11.1
133.10132	18.0
135.08066	11.8
135.11676	8.1
137.06009	5.0
137.09615	6.1
141.06990	6.8
142.07800	4.3
143.08533	7.2
145.03194	3.7
145.06491	10.5
145.10100	14.0
147.04443	4.7
147.08044	10.5
147.11702	9.5
149.06042	5.2
149.09633	6.1
151.07561	5.3
155.08548	5.6
157.10095	8.9
159.08035	11.0
159.11697	14.0
161.09621	7.8
161.13258	5.6
163.03894	3.6
163.07564	4.3
163.11186	4.3
169.10175	5.8
171.11702	9.5
173.09676	6.5
175.07629	4.6
177.12758	6.9
183.10213	4.5
183.11711	4.0
187.11180	7.7
189.09099	8.3
189.12776	4.5
207.13802	12.3
233.15431	6.3
237.14778	7.4
243.17445	4.6
247.13290	3.1
261.18542	9.0
271.16986	13.3
289.17966	46.5
291.97229	3.0
304.70129	2.9
322.33820	4.4
325.10666	9.9
325.14145	7.9
325.20016	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	325.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41566	4.9
53.03935	14.6
55.01874	32.6
55.05513	30.8
57.02692	4.3
57.03436	30.4
61.74877	4.3
67.05230	5.6
67.05506	65.1
68.06689	4.3
69.07061	20.8
69.31609	4.7
70.88482	12.0
71.04984	4.9
71.41798	4.5
79.05491	73.8
81.03403	15.6
81.07053	68.3
83.04987	31.8
83.08613	9.3
85.06569	7.4
91.05477	66.0
93.07047	42.7
95.04965	82.2
95.08620	36.3
97.02878	11.9
97.06553	9.0
97.10162	10.7
103.05481	5.5
105.07032	42.2
107.04957	100.0
107.08579	27.3
108.05728	6.1
109.06522	37.0
109.10168	19.0
111.04469	6.3
112.05235	5.4
113.05957	6.8
115.05444	9.6
117.07020	27.4
119.05000	6.8
119.08562	27.8
121.06501	21.1
121.10155	11.0
122.07279	30.4
129.06989	8.1
131.08574	28.2
133.06465	23.7
133.10124	9.9
135.08058	16.1
135.11676	6.4
137.06017	6.2
137.09636	17.4
143.08543	8.0
145.04196	4.9
145.06441	18.2
145.10095	24.1
147.08023	38.2
147.11630	6.6
149.05948	8.0
149.09613	6.8
151.07475	5.6
155.08582	9.1
157.10197	5.9
159.11679	6.0
161.09608	21.5
163.07578	5.6
163.11150	14.2
165.09178	6.2
169.10146	7.8
171.11685	8.4
173.13280	14.5
187.14801	13.9
189.12714	5.9
205.15878	11.0
215.14330	14.5
233.15373	61.8
251.16527	9.1
269.08057	6.7
290.18661	13.8
297.17389	6.0
325.07077	6.1
325.14227	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
53.45505	1.1
54.40004	1.1
55.01869	5.1
55.05513	10.7
57.03437	10.1
57.07066	1.4
59.04986	1.5
65.03929	1.9
67.05507	17.3
69.03433	2.6
69.07072	4.8
71.04996	3.2
71.09795	1.9
71.10130	1.7
77.03919	1.6
79.05499	14.0
81.02975	2.0
81.03420	23.2
81.07062	17.8
83.04978	4.1
83.08623	5.7
84.63565	1.2
85.02884	1.4
85.06534	5.0
91.05486	9.1
93.07026	8.8
94.04174	1.9
95.04977	17.9
95.08607	19.4
97.02897	1.8
97.06528	3.6
97.10169	7.2
98.20866	1.1
99.08118	1.2
103.05477	2.7
105.07030	12.0
106.85490	1.1
107.04958	100.0
107.08592	6.6
108.05310	1.7
109.02869	1.5
109.06523	75.0
109.10172	7.6
111.08094	2.6
111.63831	1.0
113.06001	10.3
115.05468	2.0
117.07018	3.5
117.56814	1.1
119.04976	2.1
119.08572	4.7
120.37454	1.1
121.06519	7.6
121.10155	4.2
123.04449	2.7
123.08072	34.3
123.11725	1.5
123.14831	1.1
125.09641	5.3
128.06161	1.4
129.07014	3.1
131.04987	6.8
131.08559	5.4
132.05759	1.4
133.02892	3.5
133.06490	10.0
133.10136	3.8
135.04419	3.5
135.08066	5.2
135.11694	2.6
137.05991	13.4
137.09622	7.5
141.07036	1.6
141.09106	21.3
143.08556	2.3
145.06493	2.0
145.10118	2.4
147.04422	3.5
147.08057	4.2
149.05998	2.2
149.09645	1.6
151.03844	1.3
151.07571	3.8
153.09084	3.2
155.08578	2.8
155.65935	1.1
157.10130	3.4
158.07292	1.5
159.08066	8.9
159.11685	1.7
160.05276	1.5
161.05994	7.8
161.09622	3.4
161.13332	1.4
163.03943	4.6
163.07513	5.6
163.11116	1.3
165.05444	2.4
165.09169	5.7
167.03410	1.9
167.14337	2.1
169.08650	2.7
171.08113	1.7
171.11652	2.3
173.06015	2.4
173.09579	2.6
175.03973	2.4
175.07594	2.9
175.11154	1.5
177.09123	3.2
179.10728	1.5
185.09563	1.6
186.06735	4.0
187.07584	1.8
189.09167	3.6
189.11183	2.6
191.10683	1.8
194.07188	1.3
197.05914	1.3
197.13254	1.3
199.11301	2.0
201.05443	2.5
201.09128	9.9
205.06520	3.2
205.08609	3.3
215.14278	1.5
217.12256	3.6
219.08113	2.8
219.10184	20.0
221.06073	2.1
225.16377	1.2
231.10188	1.5
233.06100	1.4
233.09760	2.0
233.15388	3.8
235.13155	2.0
237.09073	1.2
243.17511	2.4
249.05402	1.5
249.09041	1.7
250.06285	1.6
253.08586	4.7
253.15909	1.9
261.18469	2.5
265.08548	4.2
265.12222	1.5
269.08154	1.4
271.16980	5.1
283.09677	1.6
289.18015	24.0
293.08044	3.9
293.11502	2.6
307.09692	4.1
307.13315	3.1
307.19067	13.1
325.10669	8.4
325.14392	16.2
325.20151	1.9
326.10800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
52.25428	0.2
53.00315	0.3
54.98957	0.3
55.01894	0.3
56.93931	0.2
65.03938	2.6
67.48885	0.3
71.32401	0.3
73.28062	0.2
93.03410	1.8
95.01341	0.3
121.02877	2.5
121.06493	0.8
131.01282	3.2
138.70500	0.3
149.02335	45.2
150.02682	0.4
163.03853	0.3
167.03394	100.0
168.03754	0.7
205.08591	4.4
269.08075	45.5
270.08521	1.0
283.56152	0.2
325.14328	14.6
326.14658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.05505	3.4
57.07060	1.0
67.05502	4.0
69.03436	2.0
69.07066	4.5
69.72752	6.4
71.04993	3.0
73.02917	1.0
79.05489	4.8
81.03435	1.2
81.07059	7.7
83.04996	1.1
83.08600	1.6
84.04526	2.1
85.02895	1.5
85.06557	0.9
89.03908	1.0
91.05480	6.3
93.07063	3.8
95.04988	1.9
95.08604	6.9
97.02927	1.5
97.06535	1.1
99.08131	0.9
103.05466	2.7
105.07030	3.5
107.04954	11.7
107.08621	4.6
109.06535	1.9
109.10182	4.6
111.08105	1.7
115.05464	1.2
118.06513	1.3
119.04955	1.4
119.08594	2.6
121.06472	1.4
121.10150	2.8
123.04436	1.7
123.08032	1.1
123.11637	1.2
130.05026	1.7
131.04932	2.8
131.08586	1.0
133.02829	7.6
133.10109	1.7
135.04413	2.2
135.11719	2.2
137.05975	8.6
139.03954	2.2
141.07022	1.2
145.06480	1.5
145.10184	1.1
147.04422	3.5
147.08005	4.9
147.11620	1.2
149.02292	0.9
149.06047	2.6
149.13295	2.8
151.07545	2.0
155.08640	1.2
157.10216	0.9
161.05994	1.8
161.09642	1.0
161.13251	1.4
163.03848	4.9
163.07574	1.4
163.11145	1.6
165.05495	1.3
167.03391	4.6
169.06557	1.7
171.08115	1.7
175.07562	2.0
176.14423	2.1
177.14703	5.0
182.27307	0.9
189.09114	15.1
194.07317	1.7
201.05580	1.7
201.09171	1.8
205.06555	1.8
208.17154	0.9
209.17331	1.8
219.08153	1.2
219.10168	1.4
221.05945	1.5
222.06810	1.4
233.05997	2.1
233.09653	1.6
235.07216	1.2
237.09164	1.9
237.90179	1.0
241.08696	1.0
247.07562	1.2
249.05524	1.1
250.06256	1.2
251.07031	1.0
263.06973	1.2
265.08658	3.6
269.08133	2.6
269.12405	2.5
272.69135	0.9
292.07239	1.7
293.08215	3.2
297.11313	1.3
307.09653	2.3
307.15268	3.7
310.08475	1.0
325.11206	5.0
325.16315	100.0
325.21793	8.9
326.16525	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	325.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85097	0.5
53.03939	0.7
55.01867	1.8
55.05505	3.2
57.03422	1.6
57.07094	0.5
65.03906	0.5
67.05489	3.1
68.33243	0.5
68.99780	1.2
69.03413	0.8
69.07048	2.4
69.41232	5.1
71.04968	0.8
73.82784	0.5
79.05495	7.8
80.05822	0.9
81.03417	1.2
81.07058	5.0
83.08614	2.1
85.06535	0.6
87.48206	0.5
91.05484	7.0
93.07056	3.6
95.04974	1.8
95.08586	2.4
97.02905	0.5
97.06512	0.9
97.10152	2.0
103.05458	4.7
104.05783	2.1
105.07039	4.4
106.07325	0.6
107.04939	7.7
107.08600	2.0
108.05258	1.2
109.02890	0.7
109.06490	1.4
109.10175	2.8
111.08096	0.6
115.05414	1.0
117.06985	1.2
118.06552	0.6
119.04930	2.2
119.08569	4.5
121.06511	2.5
121.10131	1.3
123.04450	3.2
123.08068	1.5
125.09599	1.5
128.06219	2.9
129.07004	1.3
130.86823	0.5
131.04948	2.7
131.08556	0.6
131.49506	0.5
132.05472	0.7
133.02809	0.9
133.06461	2.1
133.10129	2.9
135.04407	3.6
135.08018	1.1
137.05981	2.9
137.09601	1.0
141.07043	0.5
143.08568	4.5
145.06474	0.8
145.10110	1.3
146.09671	0.6
147.04411	15.4
147.08043	29.6
149.05983	8.0
151.07498	0.6
153.06946	0.6
159.04457	1.2
159.08084	0.9
161.05954	1.7
161.09615	4.8
163.03809	0.9
171.08047	8.7
173.09666	0.7
174.06758	2.0
176.14342	2.9
177.14680	5.0
187.07587	0.7
189.09106	100.0
190.09473	1.7
191.10641	1.9
199.07516	0.6
201.09106	1.0
215.10660	1.5
227.97304	0.6
239.16315	0.8
263.16290	2.9
269.08057	6.2
289.17844	1.5
307.09567	0.7
307.18887	1.0
325.07111	0.6
325.10675	2.0
325.14307	7.5
325.19907	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
53.03932	1.0
53.61268	0.8
55.01871	1.8
55.05501	2.0
56.96550	1.0
61.19308	0.8
67.05484	2.5
68.99772	1.9
69.07072	6.1
71.59190	1.1
71.59533	1.1
79.05482	3.6
81.07058	2.0
83.01305	1.4
86.03934	0.9
91.05495	4.9
93.07070	1.0
95.04942	3.1
95.08559	1.2
97.93504	0.9
103.05448	3.0
105.03403	1.0
105.07031	2.1
107.04953	54.5
107.08629	1.0
108.05301	1.1
109.02866	2.7
111.04446	1.3
119.04952	2.1
121.02827	1.0
123.04432	22.2
126.42182	0.8
129.07039	1.2
131.04930	12.5
131.08504	1.4
132.05685	1.0
133.06480	2.9
133.10191	0.9
135.04399	7.3
136.36789	0.8
143.08536	2.0
145.06448	2.0
147.04408	12.0
149.05995	1.2
151.04008	1.0
152.06194	1.4
153.06898	1.2
159.04395	12.0
159.08000	1.9
159.25513	1.0
159.26938	0.9
160.05188	2.0
161.05954	3.3
163.03889	1.7
165.07007	1.1
167.08527	2.1
169.06461	1.4
171.08040	3.3
175.03946	4.2
177.06944	1.7
181.06445	1.7
185.06013	1.1
185.09599	1.3
187.07494	3.0
189.05492	1.2
189.09091	1.2
191.10646	3.0
195.08052	6.2
197.06047	1.2
198.06717	2.4
199.07509	5.1
201.09085	1.0
205.08580	1.9
213.05440	1.5
213.09012	3.6
215.07016	3.3
223.07565	5.6
226.06236	3.5
227.06992	2.8
231.10094	2.8
241.05046	1.2
241.08611	8.4
251.07050	6.0
257.08047	2.7
269.08087	100.0
270.08383	1.8
297.11285	1.2
325.10919	1.6
325.14273	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	Glabridin
Peak:m/z	Relative Intensity
51.40407	1.5
55.01880	2.5
55.05509	7.0
57.03447	2.4
57.38963	1.5
63.80711	1.8
65.03924	1.8
67.05508	16.1
69.03416	4.5
69.07072	9.9
71.04991	6.7
71.58574	2.8
71.58987	1.9
79.05499	15.3
81.03426	4.3
81.07065	20.5
83.04977	3.8
83.08633	3.7
84.04509	8.4
85.02888	3.0
85.06544	2.5
89.03916	2.1
90.83882	1.7
91.05482	18.6
93.07043	12.3
94.04209	3.1
95.04968	10.5
95.08616	18.1
97.02880	3.5
97.06535	3.5
97.10189	3.2
103.05446	8.4
105.07045	13.3
106.85977	1.9
107.04958	59.6
107.08587	7.1
109.06528	6.9
109.10175	13.0
111.04489	2.0
111.08075	3.7
115.05471	12.1
115.06160	1.9
117.07015	8.7
118.06494	1.9
119.05030	3.6
119.08596	12.0
120.24295	1.7
121.06493	2.9
121.10152	5.2
122.03647	9.3
123.04404	3.4
123.08058	4.9
123.11677	5.1
125.09676	2.3
128.06241	5.1
129.06992	10.4
130.05013	7.4
131.04924	27.1
131.08562	2.7
131.59798	1.5
132.05745	3.1
133.02873	11.4
133.06493	14.7
133.10146	2.2
135.04416	4.5
135.08037	2.5
135.11674	2.6
137.05986	100.0
137.09573	3.4
138.06361	2.1
139.03908	3.3
141.07007	12.0
144.05690	1.8
145.06538	4.9
145.10144	3.1
147.04417	7.1
147.08064	20.3
147.11673	2.7
149.05971	7.4
151.07521	6.7
151.14789	3.1
153.06964	2.3
157.06461	4.2
158.07280	4.2
159.04454	3.2
159.08067	2.8
159.11772	2.1
160.05122	4.2
161.05997	11.4
161.09746	2.5
161.13345	1.9
163.03894	8.6
163.07561	14.4
166.07790	2.1
169.06485	21.4
170.07310	2.1
171.08054	3.6
173.06042	3.6
175.06032	3.3
175.07558	65.9
176.14404	3.0
177.14684	10.3
181.06512	2.4
183.08252	1.9
185.06079	1.8
186.03119	2.2
186.06731	7.7
187.07639	5.2
189.09087	21.5
190.07681	2.6
191.08412	3.0
194.07281	2.7
195.08107	3.4
199.07550	2.1
201.05429	3.6
201.09091	25.2
205.06522	4.1
205.08417	2.5
205.10164	2.4
207.08070	2.6
209.17313	3.6
215.08519	2.0
218.07242	2.5
219.08090	4.0
219.10158	10.6
222.06720	3.5
223.07523	1.9
225.09195	2.4
227.07103	2.6
233.05991	4.8
233.09651	5.8
236.08313	2.9
237.09157	5.5
239.07104	2.6
240.07837	5.6
247.07564	2.5
249.09007	1.9
250.06293	4.6
251.07257	2.2
251.14668	2.1
253.08591	13.4
261.09152	4.3
264.07883	2.7
265.08643	11.0
265.12231	3.7
267.10275	3.0
268.07288	4.1
269.08154	10.8
278.09433	2.4
279.10226	4.3
279.13794	2.0
283.09586	14.1
289.18112	2.6
292.07233	5.1
292.10675	2.2
293.08084	11.5
293.11731	9.8
295.09711	3.0
297.11334	4.2
307.09616	6.4
307.13297	18.2
307.23114	2.3
310.12021	2.9
325.07306	3.4
325.10574	7.1
325.14444	42.3
325.16068	34.7
325.22034	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Glabridin
Peak:m/z	Relative Intensity
52.85097	0.5
53.03939	0.7
55.01867	1.8
55.05505	3.2
57.03422	1.6
57.07094	0.5
65.03906	0.5
67.05489	3.1
68.33243	0.5
68.99780	1.2
69.03413	0.8
69.07048	2.4
69.41232	5.1
71.04968	0.8
73.82784	0.5
79.05495	7.8
80.05822	0.9
81.03417	1.2
81.07058	5.0
83.08614	2.1
85.06535	0.6
87.48206	0.5
91.05484	7.0
93.07056	3.6
95.04974	1.8
95.08586	2.4
97.02905	0.5
97.06512	0.9
97.10152	2.0
103.05458	4.7
104.05783	2.1
105.07039	4.4
106.07325	0.6
107.04939	7.7
107.08600	2.0
108.05258	1.2
109.02890	0.7
109.06490	1.4
109.10175	2.8
111.08096	0.6
115.05414	1.0
117.06985	1.2
118.06552	0.6
119.04930	2.2
119.08569	4.5
121.06511	2.5
121.10131	1.3
123.04450	3.2
123.08068	1.5
125.09599	1.5
128.06219	2.9
129.07004	1.3
130.86823	0.5
131.04948	2.7
131.08556	0.6
131.49506	0.5
132.05472	0.7
133.02809	0.9
133.06461	2.1
133.10129	2.9
135.04407	3.6
135.08018	1.1
137.05981	2.9
137.09601	1.0
141.07043	0.5
143.08568	4.5
145.06474	0.8
145.10110	1.3
146.09671	0.6
147.04411	15.4
147.08043	29.6
149.05983	8.0
151.07498	0.6
153.06946	0.6
159.04457	1.2
159.08084	0.9
161.05954	1.7
161.09615	4.8
163.03809	0.9
171.08047	8.7
173.09666	0.7
174.06758	2.0
176.14342	2.9
177.14680	5.0
187.07587	0.7
189.09106	100.0
190.09473	1.7
191.10641	1.9
199.07516	0.6
201.09106	1.0
215.10660	1.5
227.97304	0.6
239.16315	0.8
263.16290	2.9
269.08057	6.2
289.17844	1.5
307.09567	0.7
307.18887	1.0
325.07111	0.6
325.10675	2.0
325.14307	7.5
325.19907	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01856	2.4
55.05508	0.8
57.03433	3.2
57.03664	0.5
61.02923	1.1
69.03428	16.5
69.07072	0.6
69.28456	2.9
69.28878	2.9
70.06602	1.1
71.01347	1.1
71.04990	5.1
72.08133	1.6
73.02924	0.9
75.04457	0.6
79.05464	1.1
81.03415	20.6
83.04957	0.6
83.77142	0.5
85.02869	1.3
91.05479	2.3
93.07024	1.0
95.04987	0.8
95.08597	0.6
97.02916	0.9
99.04452	7.2
108.08121	0.9
110.09634	0.5
112.89500	0.5
116.04933	0.7
117.05515	2.4
118.06548	8.0
119.08591	0.9
120.08092	0.9
122.03644	0.7
130.05081	0.7
133.02850	4.1
135.04468	0.7
137.05969	2.1
145.06548	1.1
145.07600	8.8
147.04425	0.6
147.09160	8.6
149.06023	0.9
150.12872	0.7
152.14360	1.3
155.11409	0.6
162.07884	1.3
163.03836	1.1
163.08719	1.3
167.11577	0.5
172.06206	0.6
173.05698	1.1
173.07101	13.1
175.08656	6.2
189.77046	0.5
191.08151	100.0
192.08528	0.9
192.44327	0.5
193.06529	0.5
194.07533	0.5
201.05550	1.6
205.06471	1.4
213.10201	0.6
222.06889	1.1
233.05983	1.1
233.09212	2.4
239.06857	0.6
245.09338	0.5
249.05516	1.1
265.05936	0.8
265.08575	1.9
279.10208	0.7
279.13263	0.5
282.08792	0.6
282.16980	2.1
284.94333	0.5
289.11768	2.0
292.07230	1.0
293.08084	2.4
297.11142	0.7
307.09604	2.6
307.12863	30.7
325.10577	2.1
325.13940	16.4
325.21335	1.2
326.19589	1.1
340.91852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01876	2.2
57.03439	2.5
61.02917	1.0
63.58270	0.4
69.03425	15.4
71.01346	0.7
71.04989	5.3
73.02894	0.6
74.10233	0.4
75.27268	0.4
79.05507	0.4
79.42171	0.4
81.03414	17.3
84.04501	1.0
84.71931	0.4
85.02902	1.8
86.06055	0.6
87.04462	0.5
91.05450	1.6
93.07038	0.8
99.04438	5.3
102.05549	0.8
108.08109	3.3
110.09657	0.5
116.04975	0.9
117.05482	1.8
118.06543	7.5
130.04994	6.0
132.06770	0.5
133.02792	0.9
135.11705	0.5
145.06549	0.8
145.07602	8.8
147.09151	8.2
150.12766	1.2
152.14334	8.6
154.15961	0.5
162.07861	1.4
163.08682	1.5
173.07101	15.1
175.08679	6.3
184.24899	0.4
191.08142	100.0
192.08456	1.2
196.16946	1.8
201.51489	0.5
203.08147	0.5
205.09633	0.6
215.11833	0.7
233.09200	1.5
243.11400	0.5
264.15952	1.0
271.10800	0.6
281.18591	8.6
289.11829	1.8
300.24057	0.5
307.12845	28.2
325.10168	0.9
325.13940	13.5
325.21216	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	325.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65614	5.7
57.03436	12.1
61.02932	11.5
69.03434	38.8
69.47829	50.8
78.83899	5.9
79.70535	6.5
81.03380	8.6
84.08087	6.7
85.02903	100.0
97.02908	36.5
98.20795	12.5
99.04420	11.8
109.02883	10.2
109.21939	6.4
127.03910	69.5
145.04961	38.2
163.06042	6.4
167.88643	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	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03931	0.4
55.01871	0.6
55.05515	7.2
57.07076	1.5
57.79193	0.3
60.04517	0.6
62.06089	100.0
62.58274	0.4
63.06414	0.5
65.03941	0.7
65.12915	0.4
67.05504	19.2
69.06715	0.8
69.07065	7.2
69.07411	0.6
69.25385	1.9
69.25816	2.3
70.02971	0.4
71.08648	0.5
79.05491	5.8
81.07059	18.7
83.04988	0.8
83.08614	3.5
83.08975	0.3
88.03960	0.5
91.05478	3.4
93.07045	4.9
94.47590	0.4
94.48230	0.4
95.04976	0.9
95.08609	15.0
97.06548	0.9
97.10173	2.0
99.04496	0.6
105.07040	2.6
107.08598	3.0
109.10154	5.2
109.10828	0.7
111.08132	0.6
117.07056	0.4
119.08591	1.8
121.10129	2.0
123.11716	2.5
133.10161	1.8
135.11720	1.0
136.98683	0.4
137.09583	0.5
137.13312	0.9
141.12758	0.5
147.11748	1.4
149.13321	0.6
151.11183	0.8
161.13318	1.3
163.14821	0.7
165.16460	0.5
175.14886	0.7
217.57787	0.4
245.22525	1.9
259.94461	0.4
263.23767	0.8
275.20245	1.0
293.21304	1.1
306.27908	3.1
307.26279	3.2
324.28973	11.1
325.29471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05493	1.0
58.52167	0.7
59.04947	0.7
66.46162	0.7
67.05499	1.7
69.03408	1.5
69.07058	1.5
69.53275	1.6
69.53679	5.3
70.06549	0.9
71.04993	24.7
76.04033	0.7
79.05473	2.2
81.03407	1.1
84.04478	0.7
91.05486	2.3
93.07035	1.3
95.04939	1.6
95.08604	2.5
95.50298	0.7
96.08934	0.9
97.10123	1.1
99.04472	6.5
103.53579	0.8
105.07024	1.9
106.06560	3.8
107.04955	7.2
107.08572	1.0
109.10160	1.9
117.05534	1.4
118.06542	14.4
119.04948	1.0
119.08572	0.9
121.10134	1.0
123.04420	1.6
131.04941	1.4
132.08081	3.3
133.02849	1.4
133.06500	1.4
133.08846	1.6
133.10089	0.7
134.09627	3.2
135.04433	0.9
135.08070	0.8
137.05997	4.1
146.09644	3.2
147.10425	1.0
150.09135	4.6
151.09541	0.9
151.11040	0.7
163.03882	1.5
176.14346	76.5
177.00827	0.7
177.03374	0.7
189.09109	1.3
201.09184	0.7
207.08133	0.8
208.16957	28.2
233.05859	0.8
249.09041	0.8
266.14081	0.8
290.18250	1.1
292.07346	0.9
292.18964	1.4
307.09634	0.7
307.13312	1.2
324.21683	100.0
325.06998	1.6
325.10678	1.7
325.16547	6.1
325.22018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
50.43401	1.4
53.00079	1.1
53.03936	2.1
55.01859	4.8
55.05511	31.2
56.96547	1.6
57.03416	3.7
57.07075	5.9
59.05000	2.0
65.03917	1.3
65.32322	1.2
67.05504	27.2
69.03424	8.6
69.07069	58.7
70.75919	3.4
70.87710	1.1
71.04981	3.4
71.08634	1.6
73.06529	3.4
79.05075	1.4
79.05496	15.9
81.03413	3.0
81.07057	59.1
82.07366	1.6
83.04988	5.4
83.05395	1.0
83.08622	11.1
85.06536	7.7
91.05480	17.9
93.06469	2.1
93.07040	28.4
95.01318	1.6
95.04975	6.7
95.08607	70.6
97.02876	1.4
97.06537	11.3
97.10171	44.3
98.97566	1.7
99.08089	2.1
101.06039	1.6
103.05437	1.6
105.07031	12.9
107.04958	6.8
107.08600	31.6
109.06543	6.3
109.09456	1.9
109.10157	25.3
110.10478	1.3
111.08090	15.7
111.11719	16.6
113.05976	2.1
113.09644	1.4
115.11219	2.1
117.06973	2.2
119.04923	7.6
119.07877	1.4
119.08597	11.4
121.06497	1.5
121.09326	1.6
121.10147	22.4
122.24077	1.2
123.00798	1.2
123.04374	3.2
123.08047	2.8
123.11720	27.2
125.09636	5.8
128.06209	1.7
129.06992	3.9
131.04877	1.7
131.08505	2.7
133.02846	1.4
133.06477	3.5
133.10143	7.5
134.99655	1.3
135.08046	2.9
135.11699	11.8
137.05959	2.8
137.09579	3.1
137.13217	5.1
139.11183	41.7
147.04414	10.5
147.08052	7.0
147.11678	6.1
149.02342	2.1
149.05901	5.4
149.09587	1.2
149.13246	22.1
151.03926	2.9
151.11197	5.3
153.12753	5.8
157.06503	2.0
157.10208	1.8
157.12253	28.7
158.12592	1.3
161.02312	12.0
161.05991	7.9
161.13205	3.8
163.03902	2.9
163.11189	1.8
163.14799	5.1
165.09099	1.4
165.12724	2.9
167.03403	8.1
167.14174	1.3
171.11652	1.3
171.13792	1.6
173.11794	1.4
173.13199	1.3
175.03841	2.4
175.07608	2.3
175.14835	1.7
177.09166	1.2
177.16344	1.7
179.14282	1.3
185.05966	5.7
187.07567	3.6
189.16333	2.4
191.17876	1.4
197.05995	1.6
199.07593	1.4
200.17096	1.4
202.07962	1.1
203.07031	100.0
203.12630	5.6
204.07494	5.6
213.16350	1.2
231.08008	1.8
248.08334	1.3
249.18507	1.7
250.14334	1.8
263.10452	1.6
267.06461	2.0
277.25247	4.4
287.23730	2.7
291.10025	3.1
292.10547	1.9
295.13058	1.7
305.17273	3.1
305.24716	21.6
323.09061	3.1
323.12717	39.2
323.25775	18.6
324.13037	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	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
53.77460	1.5
55.01861	5.5
55.05510	23.1
56.96557	2.5
57.03416	3.4
57.07055	5.8
59.04996	2.6
67.05502	26.1
69.03406	7.3
69.03752	1.9
69.07069	30.5
69.62884	1.7
70.84393	5.1
71.04990	4.3
71.08637	2.2
73.94196	1.7
77.03910	1.8
79.05491	18.2
81.03394	1.6
81.06584	3.5
81.07056	61.3
83.04980	7.9
83.08612	11.9
85.02876	3.1
85.06523	5.0
85.07037	1.7
89.26491	1.6
91.05476	24.4
93.07041	40.1
95.04961	11.0
95.08604	56.3
97.02869	2.8
97.06525	11.3
97.10172	14.1
99.08079	7.5
103.05460	3.1
105.07030	21.8
107.04948	13.7
107.08597	32.9
109.02782	1.7
109.06512	10.3
109.10154	28.4
109.68782	1.5
111.08073	11.7
111.11749	2.9
115.03941	1.7
115.05425	2.6
117.07015	3.4
119.04921	7.4
119.08561	16.9
121.02843	1.9
121.06482	5.3
121.10138	22.5
121.31710	1.6
123.04409	5.9
123.08045	8.0
123.11685	16.4
125.09626	11.2
127.07555	2.4
128.06122	2.1
129.06979	4.6
131.04938	12.1
131.08553	4.6
133.06474	7.3
133.10127	14.8
135.04417	43.8
135.08028	5.7
135.11667	16.9
137.05957	3.5
137.09608	3.9
137.13235	6.4
139.11142	4.2
141.09044	4.6
143.08548	2.6
145.06435	3.2
145.10031	3.9
147.04393	12.2
147.08034	10.4
147.11658	11.3
148.86311	1.6
149.02370	2.9
149.05968	14.7
149.13245	17.9
151.03876	2.8
151.11179	8.4
153.05417	1.8
153.09100	4.8
153.12737	4.9
157.06454	3.7
159.08008	2.3
159.11662	4.2
160.05165	2.5
161.02353	13.4
161.05984	7.6
161.13257	6.1
163.03931	2.7
163.07532	1.9
163.11192	2.7
163.14804	3.8
165.05457	1.9
165.12793	2.5
165.16330	2.0
167.03383	5.5
171.11641	2.5
173.11726	3.2
173.13153	2.2
175.03937	3.4
175.07507	7.5
175.11258	1.8
175.14821	7.1
177.05434	3.3
177.09111	2.0
177.16350	5.7
185.05904	4.8
187.07523	6.7
189.09090	4.5
189.11226	1.7
189.16370	5.5
191.07066	2.8
191.10675	11.4
193.12140	3.2
193.15884	1.8
195.13705	1.7
201.16417	2.4
203.07025	100.0
204.07358	3.9
215.10741	4.2
229.08589	5.5
239.10670	2.6
248.08322	2.6
249.18419	1.9
259.24200	2.9
269.22733	3.1
275.12808	3.7
277.25238	7.5
287.12976	1.8
287.16318	3.4
287.23709	2.8
291.10083	4.2
293.24826	2.0
305.17340	2.4
305.24762	13.5
323.09006	2.9
323.12192	31.7
323.25641	12.9
324.13135	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	8-HETrE
Peak:m/z	Relative Intensity
51.16955	1.4
53.03936	2.6
55.01860	4.9
55.05512	50.2
57.03442	2.6
57.07076	8.2
59.04994	4.1
61.91609	1.4
66.41016	1.4
67.05506	35.5
69.03441	9.3
69.07072	87.7
69.98118	4.9
69.98525	2.6
71.04990	4.7
71.08634	1.7
73.06544	4.7
79.05484	14.7
81.07057	87.1
83.05003	7.1
83.08624	12.6
85.06548	12.9
91.05472	11.0
93.07043	47.5
95.04961	5.6
95.08610	100.0
97.06535	19.1
97.10170	67.2
98.20746	2.5
99.08096	5.2
101.05995	1.8
105.07017	13.2
107.04941	3.5
107.08601	41.4
109.06512	5.9
109.10159	34.2
111.08084	26.4
111.11723	25.7
115.11205	5.0
119.08578	10.5
121.10149	31.7
123.04397	2.7
123.08028	3.6
123.11710	49.4
125.09621	4.4
133.06587	1.7
133.10127	6.9
135.11685	17.3
137.09630	4.0
137.13242	8.8
139.11182	64.6
143.10696	4.2
147.11673	5.9
149.13260	30.7
151.11188	6.7
151.14825	1.5
153.12720	10.5
155.10669	1.7
157.12239	45.2
159.11772	1.6
161.05928	1.5
161.13229	4.5
163.14851	7.1
165.12729	4.5
167.14331	3.8
171.13898	2.5
175.14897	2.6
183.37520	1.3
189.04085	1.4
189.09021	1.5
189.16454	3.8
199.07474	1.7
203.12755	6.8
203.14513	1.4
203.17957	1.9
249.18442	2.5
259.24292	2.1
277.25360	7.2
287.23807	6.9
305.24713	26.3
323.12701	8.1
323.25845	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	323.2215
Annotation	Rapanone
Peak:m/z	Relative Intensity
50.97679	2.6
53.03944	5.1
54.67073	2.8
55.01868	7.1
55.05510	21.5
57.03417	11.2
61.83626	2.9
65.15742	2.9
67.05505	34.9
69.03437	3.0
69.07065	35.8
69.45033	2.6
70.84875	8.6
70.85249	3.8
71.04976	8.7
73.06538	11.8
79.05499	27.3
81.07056	45.9
83.04977	8.2
83.08611	10.5
85.02902	4.6
85.06567	6.8
91.05476	26.3
93.07048	31.3
95.04958	13.4
95.08606	37.3
97.06490	7.3
97.10177	14.2
99.08092	100.0
105.07034	29.3
107.04945	15.7
107.08090	2.3
107.08603	26.1
109.06519	26.0
109.10142	9.1
111.08086	8.1
113.05979	6.1
117.07005	10.2
119.08576	20.6
121.06515	5.2
121.10144	18.4
123.08057	11.5
123.11694	5.4
125.09592	5.3
126.10300	2.6
127.07490	4.9
128.06187	2.8
129.07008	5.6
131.08551	16.2
133.06500	6.5
133.10150	13.9
135.08046	11.9
135.11684	11.0
137.09631	7.6
141.06987	6.1
141.09109	3.6
143.08569	8.5
145.10141	14.6
147.08051	5.4
147.11708	5.9
149.05959	4.7
149.09607	8.9
149.13242	6.3
151.11145	3.3
155.08548	4.8
157.10120	8.3
159.11676	4.9
161.09578	6.8
161.13264	5.3
163.11136	4.1
171.11739	5.3
172.28636	2.8
175.11200	5.2
183.11684	5.2
203.06898	4.2
217.15897	6.8
219.08084	3.4
225.04605	3.1
245.19167	3.3
255.17383	5.7
263.19916	3.5
273.18491	25.5
277.08575	4.4
291.10040	8.4
291.19540	15.0
298.27917	3.0
305.17862	3.6
305.21082	17.2
305.24414	5.7
323.09076	11.2
323.12775	11.1
323.18457	3.9
323.22144	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.44930	1.3
55.01866	7.3
55.05507	8.0
57.03437	29.5
57.07076	1.8
63.19512	1.2
65.03937	1.6
67.05504	24.3
69.07073	4.0
70.05277	5.2
71.04994	3.8
79.05481	12.8
81.03415	1.9
81.07052	17.9
82.16457	1.3
83.04980	5.3
83.08575	2.6
85.06546	27.8
91.05480	12.8
93.07037	13.6
95.04965	32.6
95.08601	7.9
97.06490	2.0
97.10181	2.8
98.20775	1.8
99.09467	1.3
105.07024	9.4
107.04948	4.7
107.08583	9.3
109.06517	30.2
109.07264	2.3
109.10166	3.7
110.17826	1.3
111.04472	7.3
111.08107	2.1
113.06005	100.0
117.07026	5.1
119.08575	6.4
121.06497	3.0
121.10144	5.1
123.08077	2.9
125.09639	2.9
129.07001	2.9
131.08588	6.7
133.06427	1.3
133.10143	3.4
135.08054	25.2
135.11688	6.0
137.11015	1.3
141.09096	1.2
143.08594	3.1
145.10132	6.1
147.08047	4.0
149.09592	4.4
149.13326	1.2
153.12782	2.4
157.10152	2.7
159.11685	4.1
161.09618	5.3
161.13205	1.5
163.11179	5.3
171.11716	2.7
175.11104	1.2
177.12735	1.4
181.12225	3.3
183.11694	1.3
189.12807	1.6
191.10678	2.3
201.12813	2.0
217.15886	9.2
227.12755	2.4
237.16388	1.6
255.17445	1.6
264.05737	1.6
273.18515	14.4
291.19543	39.7
292.19659	1.5
305.21115	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.4
54.04005	2.1
55.01628	3.4
55.01874	43.8
55.05511	27.6
57.03445	8.4
59.05007	1.8
65.03944	5.1
67.05504	51.3
69.03421	5.0
69.07067	25.1
69.11495	1.7
71.04986	7.6
71.58575	1.6
71.59028	3.1
71.59395	1.9
77.03909	1.7
79.05492	39.0
81.03423	17.8
81.07058	61.5
81.61423	1.9
83.04983	36.7
83.08617	13.5
85.02903	2.7
85.06519	4.5
91.05476	25.6
91.98994	1.9
93.07048	36.7
95.04971	26.5
95.08609	32.2
97.06535	29.1
97.10175	17.3
99.04452	16.1
99.08114	8.7
105.07040	20.1
107.04961	23.4
107.08600	25.7
109.06528	17.2
109.10162	20.9
111.04447	100.0
111.08088	7.8
113.05986	3.5
117.07015	11.9
119.08596	17.5
121.06517	6.6
121.10147	11.7
123.04412	3.0
123.08073	18.9
123.11678	1.8
125.09619	18.5
127.03944	1.9
127.07568	2.7
128.06264	2.9
129.06999	7.0
131.08568	11.7
132.09192	1.9
133.06465	3.0
133.10158	13.2
135.08049	13.0
135.11703	6.3
137.06044	2.7
137.09619	14.8
139.11169	1.7
143.08557	3.7
145.10121	10.0
147.08052	7.3
147.11684	5.9
149.06059	2.5
149.09660	9.6
149.13255	5.0
151.11140	4.9
153.09097	21.8
157.10139	7.9
159.08089	2.1
159.11699	6.0
161.09598	8.3
163.11201	18.9
165.09140	4.4
165.12695	1.9
171.11635	2.0
173.11810	3.5
175.11252	8.8
177.12761	6.2
179.08656	2.0
179.10637	5.8
181.12311	3.3
185.09595	1.9
185.13226	2.8
187.07561	2.0
187.11177	4.0
189.12743	4.7
193.12202	8.6
198.64569	1.9
203.07072	8.0
203.10941	1.8
203.12805	4.5
219.08211	2.3
221.11641	2.7
221.15404	2.6
223.13210	2.5
227.18042	2.7
233.06053	1.9
234.06757	2.6
235.07608	5.8
245.19000	3.2
247.07600	3.8
248.08261	1.8
249.05228	1.7
249.14886	3.7
255.17513	3.7
262.06204	4.1
263.20102	7.5
267.06470	3.2
273.18536	23.3
277.08554	4.2
291.06674	2.6
291.19568	51.4
305.17941	2.7
305.20959	11.6
323.09143	6.1
323.12744	5.1
323.18665	3.9
323.22168	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72281	1.8
53.03944	4.9
55.01868	12.0
55.05262	3.0
55.05510	39.1
57.03431	7.9
57.07075	3.3
58.08278	2.0
65.03936	2.9
65.43813	1.9
67.05506	59.8
69.03433	6.7
69.07063	25.6
69.89825	9.0
69.90249	3.6
71.04987	6.7
77.03931	2.8
79.05495	52.5
81.03423	3.8
81.07056	69.3
83.01328	5.4
83.04979	18.0
83.08618	13.4
85.02873	2.5
85.06523	5.9
91.05482	43.6
93.07039	54.9
95.04955	16.6
95.08606	32.0
97.02873	2.3
97.06554	9.7
97.10152	8.0
105.07030	44.3
107.04963	14.0
107.08591	32.9
109.06506	15.5
109.10149	35.2
111.04458	11.6
111.08064	16.3
114.72809	2.1
117.07027	8.3
119.04871	2.2
119.08566	21.3
121.06487	22.0
121.10117	12.8
123.04453	6.9
123.08082	8.2
123.11713	10.3
125.05981	4.0
125.09593	4.0
128.06201	2.8
129.07008	7.0
131.08571	16.3
133.06491	10.3
133.10124	52.6
133.11079	3.1
135.08043	7.7
135.11707	10.6
137.05969	7.0
137.09662	6.6
137.77802	2.1
139.07574	12.7
143.08594	7.0
145.10115	16.2
147.08109	11.8
147.11688	11.6
148.05144	1.9
149.09602	8.5
149.13231	2.6
151.07558	3.9
151.11182	47.8
152.11481	2.3
153.09106	1.9
157.10085	6.3
159.08086	3.2
159.11697	6.2
161.09587	15.1
161.13258	3.0
163.11211	6.8
165.09149	6.2
167.10770	2.5
171.11665	9.0
173.13275	2.2
175.11241	7.1
175.14839	3.1
177.09167	2.8
177.12735	2.4
179.10727	9.6
179.14307	3.5
181.08696	4.0
183.13826	11.5
185.13271	2.7
187.11151	2.9
189.12715	8.6
191.10652	3.3
193.12210	2.9
195.11728	2.7
199.11180	3.9
201.12730	2.1
203.14328	4.1
207.13866	2.9
217.12244	5.8
217.22569	2.0
223.13358	2.3
227.17972	3.9
231.13977	2.2
234.54550	2.1
245.19070	18.0
255.17497	4.7
263.20013	19.3
273.18484	42.6
291.19547	100.0
305.21140	4.6
323.18643	3.7
323.22137	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46576	7.2
53.03942	13.6
55.01865	14.7
55.05510	65.6
57.03426	10.4
57.07053	7.3
67.05505	78.8
69.07070	31.3
69.59789	49.0
79.05490	62.1
81.07055	100.0
83.04985	20.4
83.08612	25.3
85.77166	6.0
88.77396	6.1
91.05473	58.3
93.07041	60.5
95.04977	19.9
95.08620	50.3
97.06517	15.0
97.10171	6.1
105.07025	58.5
107.04932	19.0
107.08588	48.7
109.06510	14.5
109.10149	42.8
110.07360	6.7
111.04425	10.6
111.08092	14.1
117.07042	7.7
119.08570	27.8
121.06500	22.3
121.10114	20.4
123.04433	9.5
123.08072	11.5
123.11715	17.4
125.05921	8.7
125.09589	9.8
129.06996	8.0
131.08560	18.6
133.06509	17.5
133.10136	86.6
135.08090	8.3
135.11665	9.5
137.06020	10.2
139.07542	10.2
140.38040	6.1
145.10115	16.2
147.08000	12.7
147.11681	11.1
148.96321	6.5
149.09653	15.5
151.11188	70.0
157.10138	10.8
159.11642	6.7
161.09587	11.8
163.11259	7.7
165.09097	11.5
171.11703	10.4
175.11203	10.6
179.10645	14.9
183.13800	24.3
187.11307	8.4
207.13748	9.0
245.18924	21.8
252.89081	6.7
255.17592	9.6
263.20084	23.6
273.18518	41.9
291.19577	98.0
305.21097	14.0
323.22260	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.9
55.05508	29.2
62.06072	6.0
62.39803	2.7
65.96606	2.8
67.05492	13.7
69.03424	4.7
69.07051	11.5
69.51174	26.3
74.28658	2.4
79.05471	16.2
81.03397	3.0
81.07063	17.4
83.08616	14.0
91.05462	8.4
93.07038	15.0
95.04978	5.7
95.08575	7.0
97.02880	3.3
97.06483	3.7
97.10176	24.0
98.21471	6.2
105.07005	8.9
107.08589	18.3
109.10132	6.4
117.07035	5.3
119.08557	7.7
123.08109	5.3
124.22536	2.5
125.09619	23.8
131.08578	5.5
133.06461	3.5
133.10135	2.7
135.08031	7.6
137.09555	2.7
145.10123	4.4
147.08064	6.1
149.57747	2.9
165.09091	2.8
203.12790	11.1
223.13239	7.5
273.18369	6.5
291.19562	100.0
305.21097	23.1
323.22128	8.1
330.96631	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.9
55.05508	31.1
57.03440	40.5
57.07058	7.9
66.47266	5.5
67.05511	89.9
69.03410	5.6
69.07056	23.9
69.84992	37.9
79.05494	56.7
81.03401	16.7
81.07059	100.0
83.04984	12.4
83.08617	12.3
85.06532	35.8
91.05511	39.7
93.07035	50.7
95.04965	50.3
95.08603	59.3
96.84727	6.4
97.06509	10.6
97.10146	6.7
105.07021	29.9
107.04946	19.6
107.08586	21.8
109.06519	69.9
109.10136	15.0
111.04437	8.2
113.06000	98.2
117.06993	12.5
119.08533	22.9
121.06487	19.2
121.10117	19.6
125.09584	8.4
128.06194	5.9
131.08549	19.2
133.10127	22.2
135.08101	34.5
135.11717	9.3
137.09586	11.1
143.08551	8.0
145.10101	15.8
147.08037	9.4
147.11789	11.2
149.09558	13.2
149.13258	7.3
155.08600	6.8
157.10023	6.0
159.11670	12.4
162.58250	6.6
173.09688	7.9
175.14861	7.9
177.12775	9.2
203.07027	22.0
217.15779	10.9
219.71939	7.2
220.00897	5.8
239.06934	8.0
261.22244	8.1
267.06540	17.6
273.18506	27.8
291.19516	66.8
305.21240	14.2
323.12729	29.1
323.22299	11.6
323.25830	13.1
324.12833	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06194	2.0
55.01878	10.8
55.05509	42.6
57.03430	7.3
58.56296	2.0
67.05502	30.3
69.03414	6.1
69.07066	22.2
69.90371	13.3
72.54964	1.9
79.05494	28.4
81.03393	5.7
81.07054	34.1
83.04967	5.9
83.08621	24.1
85.06557	2.9
91.05486	23.3
93.07047	22.1
95.01350	2.9
95.04972	14.6
95.08608	21.3
97.02888	3.6
97.06547	6.7
97.10172	34.7
98.21436	3.6
103.40585	2.2
105.07027	16.4
107.04943	10.7
107.08586	21.7
109.02869	2.7
109.06513	4.6
109.10128	8.8
111.08038	3.5
111.10767	2.1
117.07010	9.0
117.07760	1.9
119.08581	13.8
121.06504	5.2
121.10137	7.1
123.04382	2.1
123.08092	18.3
123.11779	2.3
125.09627	33.6
126.83664	2.0
129.07001	2.7
131.08583	10.0
133.06496	5.2
133.10103	5.1
135.08025	11.3
135.11635	2.4
137.09654	3.5
143.08543	4.7
145.10133	5.2
147.08051	7.5
147.11687	6.0
149.09590	2.0
153.09074	7.6
159.11667	2.5
161.09564	3.2
163.11140	3.5
165.09113	6.5
171.11646	3.9
189.12764	2.7
193.12273	5.7
203.12755	19.9
223.13319	13.7
245.18988	4.9
249.15004	2.3
255.17445	2.4
263.20102	4.3
267.06439	2.8
273.11450	2.9
273.18497	16.7
291.19550	100.0
292.19806	3.7
305.21140	29.9
323.12631	2.5
323.22382	19.1
323.25806	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01857	0.6
55.05521	1.4
67.05495	1.0
69.07079	0.6
70.95206	0.6
70.95551	0.4
77.46457	0.3
79.05492	3.6
79.18933	0.3
81.03410	0.3
81.07048	1.6
91.05471	1.3
93.07045	0.9
95.04960	2.5
95.08602	0.9
97.10172	0.5
102.04739	0.4
102.11488	0.3
103.05458	1.3
105.07025	4.2
107.04952	100.0
108.05270	2.2
109.06500	0.3
109.10139	0.5
115.05451	3.7
117.07015	0.7
119.08567	0.5
121.06472	0.4
121.10131	0.6
123.08065	0.7
127.98038	0.3
128.06155	0.3
129.07019	0.5
130.04126	0.6
131.04907	1.2
131.08594	0.4
133.06493	4.6
133.10100	0.5
135.08026	0.5
135.65945	0.3
137.05981	1.0
141.06999	0.4
143.06111	0.6
145.06474	0.4
146.07236	2.1
147.04428	1.3
147.08083	0.7
149.05977	1.5
157.10165	0.4
159.08078	0.6
160.05260	0.4
161.02422	0.3
161.05992	6.1
162.06746	0.5
167.08539	0.3
170.07344	0.4
171.08066	1.3
175.07607	0.8
185.09677	0.6
185.13272	0.3
187.07536	0.7
189.09178	0.4
191.08568	0.5
199.07593	1.3
202.07826	1.0
203.07007	1.3
203.08603	1.7
203.10692	3.2
217.12233	10.2
217.14319	0.6
218.12642	0.6
219.08134	0.5
220.08786	0.6
231.07991	3.2
232.08598	0.3
239.22969	0.3
247.07611	0.6
248.08345	1.0
249.09097	0.6
259.07550	2.3
260.08203	0.4
263.10834	1.0
265.08542	0.4
267.06638	0.5
276.07840	0.4
277.08737	0.5
291.10132	10.5
291.19336	0.4
292.10529	1.0
293.08099	0.3
295.13266	0.9
323.09088	1.3
323.12851	3.8
323.16223	0.4
323.23666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.5
69.03429	0.9
70.06597	0.7
71.58331	0.6
81.03379	0.5
84.08142	100.0
85.02920	1.2
85.08464	1.3
86.03565	1.1
88.06506	0.5
105.07008	0.5
107.04971	0.6
123.04424	0.6
127.03899	0.4
135.04420	0.4
139.03891	0.7
146.06012	1.2
147.04433	0.7
148.03937	0.8
150.05524	0.4
161.02124	0.9
161.07126	1.1
162.05515	9.4
163.03914	1.1
164.07399	24.0
173.07123	0.7
174.05522	0.6
176.07127	0.5
177.05423	0.6
185.04213	0.9
203.05342	0.9
220.10828	3.7
234.57141	0.5
323.07385	1.4
323.12619	1.1
323.16281	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	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01870	3.2
55.05516	7.2
56.65629	2.5
56.96571	4.2
57.03427	2.8
67.05508	12.2
69.03424	10.1
69.07062	9.3
69.47213	19.6
70.06583	3.2
71.04974	3.2
77.03945	2.3
79.05502	11.0
81.03419	5.8
81.05765	3.1
81.07057	18.8
83.04989	7.4
83.08604	2.5
85.02907	3.7
85.06560	3.4
91.05473	10.6
93.07021	15.4
95.04961	8.8
95.08611	16.7
96.08121	15.9
97.02915	3.2
97.06561	2.9
97.66202	2.5
98.21459	5.3
98.97571	5.7
99.08138	3.1
103.05499	2.7
103.20443	2.6
105.07034	14.1
107.04980	5.3
107.08589	8.2
108.43266	2.7
109.02907	3.2
109.06511	6.1
109.10154	10.4
111.08088	2.7
114.22417	2.6
115.05383	2.2
116.98594	5.2
117.07056	2.4
119.04976	3.2
119.08562	7.8
121.06513	3.4
121.10143	7.0
123.04461	6.0
123.08067	3.7
123.11722	7.5
124.07595	56.6
125.05972	2.9
125.09655	4.4
131.08575	3.9
133.06467	5.4
133.10127	6.7
134.10236	2.5
134.99690	3.3
135.08058	4.2
135.11656	3.1
136.07582	64.8
137.05991	16.3
138.09151	4.2
140.07082	4.5
145.10109	5.9
146.05959	2.4
147.04402	5.2
147.11737	3.0
147.84198	2.5
149.01241	2.5
151.07570	3.3
161.06009	21.8
161.13264	2.4
164.07076	100.0
175.07553	3.1
182.08138	64.9
199.07617	4.9
202.07799	7.9
203.06903	3.5
203.08531	10.5
219.08067	4.3
220.08777	4.3
231.07977	16.4
232.08856	3.2
247.07628	2.9
248.08321	12.1
259.07501	10.8
260.08347	4.8
263.10739	9.5
275.36319	2.5
276.07874	9.4
277.08688	3.6
291.10138	21.4
292.11008	4.5
293.08356	3.7
305.11642	3.0
323.09009	3.1
323.12524	28.5
323.22968	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	323.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01869	4.0
55.05510	8.1
56.96562	4.2
57.03427	4.6
57.07083	1.6
61.02919	1.4
65.03952	1.8
67.05508	11.3
69.03421	11.8
69.07066	13.1
70.07154	3.2
70.07568	3.3
71.01339	1.5
71.04996	2.3
79.05491	20.0
81.03407	2.4
81.07057	35.0
83.04974	5.4
83.08615	4.8
85.02914	6.8
85.06538	1.8
87.04471	3.1
91.05481	15.8
93.07043	24.3
93.27946	1.2
95.02406	1.4
95.04962	8.9
95.08607	22.6
97.02895	5.9
97.06537	6.7
97.10163	5.8
98.97626	2.2
99.08105	5.4
103.05460	2.0
105.07042	12.8
107.04957	33.4
107.08598	15.2
109.02861	1.5
109.06521	5.4
109.10151	9.2
111.08073	5.6
113.05980	1.5
115.03889	2.3
115.05493	2.3
116.98630	2.4
117.07025	4.3
119.04953	6.7
119.08561	6.0
121.06525	5.9
121.10139	9.0
123.04433	5.9
123.08054	10.1
123.11713	5.9
124.57959	1.3
125.09607	7.1
128.06255	3.3
129.06999	6.0
129.09126	2.7
131.04932	13.8
131.08575	4.0
133.06471	5.0
133.10118	5.4
135.04416	100.0
135.08052	6.9
135.11684	6.3
136.04732	4.6
137.05986	5.8
137.09578	1.9
137.13284	3.0
139.11166	2.1
141.06949	2.5
141.09117	7.6
144.05672	1.2
145.06496	2.5
145.10124	2.1
147.04420	17.4
147.08049	4.1
147.11642	3.0
149.05991	11.1
149.13286	6.6
151.11157	1.4
153.09111	4.0
157.06520	3.2
159.04539	1.7
159.11679	2.7
161.02354	4.1
161.06001	6.5
161.13237	1.5
163.03882	1.6
163.07520	2.2
163.14830	1.9
165.05508	8.0
165.06847	2.1
169.06483	2.1
171.07950	1.8
171.10245	1.7
173.05997	5.1
175.03949	7.0
175.07547	4.4
175.14972	1.6
177.05481	14.3
177.09082	4.9
185.05994	4.5
187.07593	3.1
189.09140	2.9
189.11095	2.2
189.16339	2.0
191.07027	2.2
191.10663	29.1
192.10988	2.3
193.08463	1.7
197.06163	1.4
201.09044	2.5
203.07028	22.9
203.08755	1.7
203.10622	1.4
211.11320	1.6
213.05499	10.2
214.06281	1.8
215.10681	11.2
219.01926	1.4
219.06497	9.5
227.10728	3.1
229.08635	4.9
229.12494	1.5
231.06464	14.7
231.10229	3.7
233.11752	4.3
239.10818	3.4
248.08594	1.5
249.07684	2.1
257.11713	2.1
264.27103	1.2
267.10300	6.5
269.22537	1.5
275.12759	17.0
277.25311	2.9
287.12802	13.0
291.09988	2.4
305.14011	2.4
305.17462	3.5
305.24631	7.3
315.11478	1.2
323.15164	31.4
323.25623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01869	4.0
55.05510	8.1
56.96562	4.2
57.03427	4.6
57.07083	1.6
61.02919	1.4
65.03952	1.8
67.05508	11.3
69.03421	11.8
69.07066	13.1
70.07154	3.2
70.07568	3.3
71.01339	1.5
71.04996	2.3
79.05491	20.0
81.03407	2.4
81.07057	35.0
83.04974	5.4
83.08615	4.8
85.02914	6.8
85.06538	1.8
87.04471	3.1
91.05481	15.8
93.07043	24.3
93.27946	1.2
95.02406	1.4
95.04962	8.9
95.08607	22.6
97.02895	5.9
97.06537	6.7
97.10163	5.8
98.97626	2.2
99.08105	5.4
103.05460	2.0
105.07042	12.8
107.04957	33.4
107.08598	15.2
109.02861	1.5
109.06521	5.4
109.10151	9.2
111.08073	5.6
113.05980	1.5
115.03889	2.3
115.05493	2.3
116.98630	2.4
117.07025	4.3
119.04953	6.7
119.08561	6.0
121.06525	5.9
121.10139	9.0
123.04433	5.9
123.08054	10.1
123.11713	5.9
124.57959	1.3
125.09607	7.1
128.06255	3.3
129.06999	6.0
129.09126	2.7
131.04932	13.8
131.08575	4.0
133.06471	5.0
133.10118	5.4
135.04416	100.0
135.08052	6.9
135.11684	6.3
136.04732	4.6
137.05986	5.8
137.09578	1.9
137.13284	3.0
139.11166	2.1
141.06949	2.5
141.09117	7.6
144.05672	1.2
145.06496	2.5
145.10124	2.1
147.04420	17.4
147.08049	4.1
147.11642	3.0
149.05991	11.1
149.13286	6.6
151.11157	1.4
153.09111	4.0
157.06520	3.2
159.04539	1.7
159.11679	2.7
161.02354	4.1
161.06001	6.5
161.13237	1.5
163.03882	1.6
163.07520	2.2
163.14830	1.9
165.05508	8.0
165.06847	2.1
169.06483	2.1
171.07950	1.8
171.10245	1.7
173.05997	5.1
175.03949	7.0
175.07547	4.4
175.14972	1.6
177.05481	14.3
177.09082	4.9
185.05994	4.5
187.07593	3.1
189.09140	2.9
189.11095	2.2
189.16339	2.0
191.07027	2.2
191.10663	29.1
192.10988	2.3
193.08463	1.7
197.06163	1.4
201.09044	2.5
203.07028	22.9
203.08755	1.7
203.10622	1.4
211.11320	1.6
213.05499	10.2
214.06281	1.8
215.10681	11.2
219.01926	1.4
219.06497	9.5
227.10728	3.1
229.08635	4.9
229.12494	1.5
231.06464	14.7
231.10229	3.7
233.11752	4.3
239.10818	3.4
248.08594	1.5
249.07684	2.1
257.11713	2.1
264.27103	1.2
267.10300	6.5
269.22537	1.5
275.12759	17.0
277.25311	2.9
287.12802	13.0
291.09988	2.4
305.14011	2.4
305.17462	3.5
305.24631	7.3
315.11478	1.2
323.15164	31.4
323.25623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05972	0.8
55.01858	1.9
55.05511	8.2
56.96561	0.9
57.03444	0.8
57.07073	1.1
60.27835	0.7
67.05505	6.8
69.03428	2.5
69.07066	14.7
70.84727	2.1
71.05004	1.2
79.05483	4.0
81.03445	1.0
81.07056	14.3
83.04989	1.3
83.08609	2.8
85.06535	2.2
91.05478	2.6
93.07037	8.0
95.04976	1.4
95.08604	15.2
95.10280	0.7
97.06544	3.1
97.10171	12.4
98.97567	0.8
99.08108	0.9
105.07047	2.7
107.04965	3.0
107.08595	7.8
109.02935	0.7
109.06497	1.9
109.10162	6.4
111.08076	7.9
111.11732	3.6
117.06996	1.0
119.04900	0.8
119.08569	2.0
121.06570	0.7
121.10130	6.3
123.04435	1.1
123.08071	0.7
123.11697	6.8
125.09613	0.9
133.06506	1.1
133.10167	2.1
135.09514	0.8
135.11700	3.2
137.06067	0.9
137.13295	2.1
139.11169	7.9
143.10670	2.1
147.04466	2.1
147.08084	0.8
147.11710	2.0
149.06030	1.1
149.13255	6.1
151.11148	1.0
153.12733	1.6
157.12199	4.7
159.11725	0.9
161.06021	1.9
161.13280	1.2
166.27826	0.7
167.14439	0.7
187.07611	1.4
203.06964	3.2
203.12814	1.0
225.12834	0.7
277.25229	1.2
287.23734	0.8
291.10040	1.8
305.17624	0.7
305.24704	4.6
323.14716	100.0
323.25635	6.7
324.15042	1.7
325.71344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80605	0.6
55.01857	0.9
55.05249	0.5
55.05500	3.7
56.96559	0.5
57.84744	0.5
59.05001	0.5
67.05507	4.0
69.03413	1.5
69.07072	3.9
69.50340	5.1
74.00333	0.5
79.05477	2.0
81.07058	8.4
83.04946	0.6
83.08605	0.8
85.06539	2.5
91.05480	1.0
93.07035	4.3
95.04974	1.4
95.08601	6.1
97.06544	1.4
97.10170	4.4
98.21481	1.0
105.07033	1.0
107.04972	1.5
107.07027	0.6
107.08579	4.4
109.06504	0.6
109.10155	4.0
110.97261	0.6
111.08080	5.8
111.11738	0.9
119.04949	0.9
119.08611	1.6
121.10160	2.9
123.08106	0.7
123.11708	3.1
125.09657	1.2
133.06503	0.7
133.10135	1.2
135.04379	0.9
135.11656	1.1
137.05956	0.6
137.13225	0.6
139.11127	1.3
143.08572	0.7
143.10674	1.1
144.80562	0.6
145.06502	0.7
145.10187	0.5
147.04427	1.9
147.08023	0.7
149.13257	2.4
151.11183	0.6
157.12273	0.7
161.06013	0.9
180.60909	0.6
203.07063	0.7
213.09180	0.7
220.10391	1.0
246.72813	0.5
248.08360	0.6
249.11006	1.6
305.24756	1.1
323.14676	100.0
324.14993	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	323.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	1.1
55.01896	1.1
55.05558	6.0
57.03477	1.0
57.07106	1.2
65.03978	1.0
67.05494	5.1
69.03475	1.8
69.07065	6.3
69.30145	4.7
71.05042	0.8
77.03911	0.5
79.05491	5.7
81.07055	14.5
83.05034	1.7
83.08617	3.0
85.02936	0.7
85.06578	1.1
87.04476	0.8
91.05482	8.5
93.07040	6.8
95.01376	0.8
95.05018	1.9
95.08604	12.8
97.06557	2.3
97.10149	3.6
99.08104	0.9
103.05477	1.0
105.03439	1.9
105.04586	0.7
105.07031	4.3
107.04933	3.8
107.08591	8.0
109.06504	4.0
109.10155	6.4
111.08077	3.3
111.11739	0.8
115.05473	1.0
117.07049	1.5
119.04941	5.7
119.08574	5.5
121.02946	1.0
121.06521	1.2
121.10149	4.0
121.83807	0.5
123.04472	1.5
123.08134	1.8
123.11703	5.3
125.09671	2.2
128.06261	1.3
129.06990	3.3
131.04921	3.1
131.08624	1.3
132.05721	1.1
133.02875	1.6
133.06517	1.5
133.10138	3.1
135.04404	14.5
135.05380	0.8
135.08109	1.6
135.11676	3.0
137.05974	1.4
137.09660	0.9
137.13283	1.6
139.11230	1.6
141.09116	1.2
144.05704	0.9
145.06526	0.8
147.04398	11.8
147.05496	0.8
147.08034	6.2
147.11742	2.2
149.02338	3.9
149.05981	4.9
149.13243	4.7
151.03879	3.1
151.11249	0.7
153.05559	0.6
153.09146	0.9
157.06480	1.7
157.12236	0.7
159.08087	0.9
159.11786	0.6
160.05238	1.7
161.02341	13.8
161.05989	6.8
161.13277	1.5
163.03885	2.6
163.14850	1.4
165.12715	0.5
166.58990	0.5
167.03412	6.6
169.06557	0.7
173.06001	0.6
173.13277	1.0
175.03928	2.8
175.07536	3.3
175.14801	1.2
177.05527	0.8
177.16356	1.2
180.57698	0.6
185.05972	6.7
187.07535	1.7
189.09151	0.6
189.11331	0.6
189.16446	1.2
191.10654	5.0
193.15662	0.6
197.05971	1.1
203.07022	100.0
203.18053	0.6
204.07362	1.9
212.54546	0.5
213.05356	0.6
213.09079	0.7
214.06235	0.9
215.10619	1.2
221.08023	1.6
229.08585	1.0
257.11801	0.5
259.24185	0.7
267.10117	0.6
275.12546	0.9
277.25409	2.4
287.16437	0.7
291.10049	0.8
293.24661	0.6
305.11594	0.7
305.17349	1.2
305.24741	4.2
323.12561	31.0
323.25571	2.6
324.13101	0.8
344.38367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
53.03977	1.1
55.01896	1.1
55.05558	6.0
57.03477	1.0
57.07106	1.2
65.03978	1.0
67.05494	5.1
69.03475	1.8
69.07065	6.3
69.30145	4.7
71.05042	0.8
77.03911	0.5
79.05491	5.7
81.07055	14.5
83.05034	1.7
83.08617	3.0
85.02936	0.7
85.06578	1.1
87.04476	0.8
91.05482	8.5
93.07040	6.8
95.01376	0.8
95.05018	1.9
95.08604	12.8
97.06557	2.3
97.10149	3.6
99.08104	0.9
103.05477	1.0
105.03439	1.9
105.04586	0.7
105.07031	4.3
107.04933	3.8
107.08591	8.0
109.06504	4.0
109.10155	6.4
111.08077	3.3
111.11739	0.8
115.05473	1.0
117.07049	1.5
119.04941	5.7
119.08574	5.5
121.02946	1.0
121.06521	1.2
121.10149	4.0
121.83807	0.5
123.04472	1.5
123.08134	1.8
123.11703	5.3
125.09671	2.2
128.06261	1.3
129.06990	3.3
131.04921	3.1
131.08624	1.3
132.05721	1.1
133.02875	1.6
133.06517	1.5
133.10138	3.1
135.04404	14.5
135.05380	0.8
135.08109	1.6
135.11676	3.0
137.05974	1.4
137.09660	0.9
137.13283	1.6
139.11230	1.6
141.09116	1.2
144.05704	0.9
145.06526	0.8
147.04398	11.8
147.05496	0.8
147.08034	6.2
147.11742	2.2
149.02338	3.9
149.05981	4.9
149.13243	4.7
151.03879	3.1
151.11249	0.7
153.05559	0.6
153.09146	0.9
157.06480	1.7
157.12236	0.7
159.08087	0.9
159.11786	0.6
160.05238	1.7
161.02341	13.8
161.05989	6.8
161.13277	1.5
163.03885	2.6
163.14850	1.4
165.12715	0.5
166.58990	0.5
167.03412	6.6
169.06557	0.7
173.06001	0.6
173.13277	1.0
175.03928	2.8
175.07536	3.3
175.14801	1.2
177.05527	0.8
177.16356	1.2
180.57698	0.6
185.05972	6.7
187.07535	1.7
189.09151	0.6
189.11331	0.6
189.16446	1.2
191.10654	5.0
193.15662	0.6
197.05971	1.1
203.07022	100.0
203.18053	0.6
204.07362	1.9
212.54546	0.5
213.05356	0.6
213.09079	0.7
214.06235	0.9
215.10619	1.2
221.08023	1.6
229.08585	1.0
257.11801	0.5
259.24185	0.7
267.10117	0.6
275.12546	0.9
277.25409	2.4
287.16437	0.7
291.10049	0.8
293.24661	0.6
305.11594	0.7
305.17349	1.2
305.24741	4.2
323.12561	31.0
323.25571	2.6
324.13101	0.8
344.38367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	3,4-Didehydroglabridin
Peak:m/z	Relative Intensity
55.05519	0.8
67.05505	0.8
69.03415	0.9
69.07060	0.4
70.19563	1.3
74.66822	0.5
79.05508	0.8
81.03410	0.9
81.07044	1.5
83.08594	0.4
91.05479	6.1
93.07050	1.0
95.04938	0.7
95.08607	1.1
97.10177	0.5
103.05457	0.8
105.07052	0.8
107.04977	2.2
107.08578	0.5
109.10188	0.4
115.05463	1.3
116.06223	1.5
117.07004	1.1
119.08571	0.8
121.06523	0.5
123.04429	0.9
129.06996	1.1
131.08583	3.5
133.06487	1.3
135.08133	0.5
137.02324	1.4
137.09697	0.6
141.06960	1.6
143.08560	0.5
144.05669	1.6
145.06462	0.8
147.04419	0.9
151.67551	0.4
159.04457	2.9
159.08052	3.3
161.05966	0.4
171.08102	0.6
172.05173	1.2
187.07542	100.0
188.07925	2.8
189.05466	1.0
201.09183	0.6
203.07025	1.8
203.10692	1.1
267.06592	0.5
276.62283	0.4
323.09149	1.2
323.12750	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	323.1277
Annotation	4'-Hydroxyisolonchocarpin
Peak:m/z	Relative Intensity
55.01868	0.6
55.05499	1.2
56.82163	0.2
57.03422	0.2
65.03923	0.4
67.05500	1.6
68.74552	0.2
69.07056	0.8
69.96726	0.3
70.75588	0.2
70.75974	0.8
77.03915	0.5
79.05492	1.8
81.07060	3.1
83.04980	0.3
83.08597	0.3
91.05485	5.3
93.07052	1.7
95.01312	1.1
95.05000	0.3
95.08601	1.7
97.10168	0.5
103.05466	0.6
105.03385	1.2
105.07033	1.7
106.13822	0.3
107.04955	1.6
107.08587	1.0
109.06512	2.8
109.10143	1.1
109.48201	0.3
115.05462	0.6
117.07017	1.0
117.13370	0.3
119.04939	4.0
119.08583	2.8
121.02824	0.6
121.06537	0.4
123.00819	0.6
123.04424	0.4
123.08075	0.4
128.06204	1.2
129.06999	2.6
131.04939	0.5
131.08566	1.1
133.02829	1.0
133.06479	1.0
135.04434	0.4
135.08025	0.6
137.05997	0.8
143.08531	0.4
143.78319	0.3
144.05685	0.9
145.06464	0.6
146.03593	0.3
147.04417	6.4
147.08049	5.6
147.11649	0.3
149.02351	2.6
149.05989	1.9
150.84750	0.3
151.03902	3.3
157.06476	1.4
159.07988	0.3
160.05228	1.0
161.02341	13.4
161.05959	5.1
163.03906	2.6
166.24434	0.3
167.03398	7.2
169.95714	0.3
175.03911	3.1
175.07539	2.9
185.05986	5.6
185.07629	0.4
188.04648	0.5
193.04849	0.3
197.05960	0.4
203.07025	100.0
204.07419	2.6
219.08026	0.4
221.08054	1.4
234.06841	0.3
247.07591	0.4
263.07068	0.3
265.08578	0.4
277.08624	0.5
281.08121	0.3
281.11746	0.4
291.10040	0.4
295.13278	0.9
305.11819	0.4
305.17462	0.5
309.07623	2.2
323.09375	0.9
323.12759	21.2
324.13138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
56.05056	3.9
56.96566	4.5
61.02910	4.2
69.03438	19.2
71.08904	4.3
71.58140	3.5
73.02929	4.4
79.05474	4.7
81.03418	10.6
84.04491	5.1
84.08142	23.0
85.02906	33.3
85.68572	3.7
86.09699	5.7
95.04961	4.0
97.02892	15.2
107.08611	8.8
109.02908	6.0
119.04967	5.6
121.10182	4.7
123.04421	9.4
123.72159	4.2
127.03905	4.6
128.36908	4.1
132.05444	4.1
137.05945	4.1
139.03891	8.8
146.06033	11.6
148.03938	4.4
155.03400	10.9
161.02100	68.3
163.03961	7.9
173.07137	8.0
174.05437	5.8
185.02582	7.4
185.04207	100.0
203.05261	41.5
219.07979	4.9
220.10744	5.6
230.72404	5.3
251.03860	4.9
267.71045	4.5
323.07309	88.4
323.11227	33.6
323.15723	4.5
324.10654	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	322.2375
Annotation	Vanessine
Peak:m/z	Relative Intensity
55.05506	12.9
56.90617	2.9
67.05507	17.1
69.07056	10.1
70.90248	3.0
71.59618	6.2
79.05494	25.4
80.05000	6.6
81.07051	26.0
82.06570	3.3
91.05470	18.5
93.05763	3.9
93.07040	15.9
94.06573	7.9
95.07314	3.8
95.08618	6.6
96.04479	7.6
102.32972	3.3
105.07020	7.2
106.06535	5.5
107.07314	4.0
107.08617	6.5
108.08119	12.8
109.10107	3.6
121.10127	5.1
124.07571	12.8
132.08090	5.1
133.10110	3.8
134.09624	8.8
147.71523	3.3
148.11256	4.9
176.14378	4.6
236.16759	4.0
267.06534	25.7
285.67035	2.9
290.21295	15.3
292.06238	4.6
305.12009	4.4
322.10703	16.5
322.23779	100.0
323.12799	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20026	3.9
53.03966	5.3
55.01863	9.4
55.05511	9.4
57.03437	11.6
58.85815	4.1
67.05509	16.7
69.03425	17.1
69.07054	15.3
70.06602	8.1
70.68676	3.9
71.58966	3.7
71.59399	4.2
79.05496	34.8
81.03430	4.4
81.07059	64.1
82.07394	5.3
83.04974	10.9
85.02908	12.4
88.07629	7.0
91.05489	23.0
93.07047	18.7
95.01333	15.5
95.04978	17.5
95.08623	12.9
97.02885	5.6
97.06532	22.0
99.04476	5.9
99.08112	3.7
104.38093	4.0
105.07032	12.1
107.04961	10.2
107.08604	14.6
109.06518	35.7
109.10172	5.5
111.04435	6.5
116.10731	16.1
117.07050	6.8
119.04968	8.4
119.08566	19.9
121.06544	11.1
122.10468	6.4
123.04459	6.5
123.08030	6.7
125.05984	7.2
131.08589	11.3
133.66521	4.2
135.08046	11.1
135.11678	4.9
137.05960	8.4
137.09622	5.2
139.03923	10.3
147.04329	5.2
147.08054	13.5
150.12656	4.5
153.21164	4.0
155.07037	9.2
159.02954	4.9
160.09677	44.2
161.06055	4.6
163.07578	13.0
164.07059	4.6
165.09137	35.5
175.07507	5.3
179.07083	5.3
181.08623	8.8
183.10181	10.1
191.07007	6.3
191.72099	4.7
193.08565	29.0
199.09712	20.6
209.08073	13.5
211.09694	20.3
225.07683	4.6
226.72223	3.9
227.09109	13.8
237.07613	11.3
248.07996	4.5
255.08652	100.0
255.11241	7.2
273.09592	6.0
276.09308	9.0
322.14981	17.3
322.24753	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.9
55.05504	6.9
61.09057	1.9
65.03941	2.3
67.05507	12.9
69.03435	5.7
69.07050	5.3
69.58417	16.7
70.06587	3.8
72.08147	16.7
79.05487	6.3
81.07047	8.6
84.08109	2.0
85.02893	3.5
88.07603	4.3
91.05480	29.3
93.07034	17.2
95.04949	3.5
95.08614	26.3
97.06526	3.9
97.10190	2.4
101.02394	5.1
102.56927	2.1
105.07002	5.9
106.06576	2.2
107.04957	5.0
107.08596	6.0
109.06500	4.7
109.10185	14.6
116.10682	10.2
119.08579	62.3
120.08963	1.9
121.06521	4.0
121.10159	2.9
122.06007	4.3
123.08099	2.3
123.11671	2.2
123.51835	2.1
131.08594	2.4
135.07988	3.0
136.07553	3.2
137.05968	2.8
137.09613	49.7
145.10124	3.7
147.08093	5.3
155.10646	3.7
160.09694	25.3
162.90921	2.2
165.09138	11.7
183.10149	8.1
183.16534	2.0
186.64882	2.0
201.11217	100.0
207.11353	2.2
255.08615	6.9
304.11804	2.2
322.11780	3.4
322.15167	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	322.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03938	0.6
68.52548	0.3
69.30626	0.9
69.31036	2.0
77.03953	0.3
78.03450	1.0
91.05476	1.7
95.04961	2.0
96.04488	100.0
97.04824	1.0
98.21567	0.6
105.07021	2.0
115.05454	1.0
119.04944	7.8
128.06238	0.8
129.06999	7.5
131.04904	0.3
133.06462	2.5
134.07265	6.7
136.07549	1.6
141.06985	1.1
143.08545	0.4
153.07027	0.5
157.06491	1.4
185.05969	14.1
186.06586	0.5
199.07588	1.1
209.09550	0.4
227.10655	8.7
318.23608	0.3
322.14365	1.5
327.33566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04774	0.3
56.96559	0.7
57.03428	0.4
58.06597	2.0
61.02907	0.3
69.03426	1.2
69.55710	1.0
69.56136	1.1
70.06564	0.8
75.02678	0.2
80.20142	0.3
81.03414	0.4
84.04495	1.0
84.08130	0.4
85.02895	1.5
88.07632	9.9
90.03773	0.9
97.02885	0.8
98.06039	0.5
98.97575	0.5
100.07594	0.3
102.05533	1.9
114.09122	1.1
116.07079	1.8
119.01913	0.7
120.02010	0.3
127.03841	0.4
130.05022	0.6
142.08612	0.3
160.09688	100.0
161.01277	0.2
161.02887	0.4
161.10036	1.4
176.03775	1.7
177.00688	0.3
216.07214	0.4
219.01932	0.3
245.04991	0.4
322.14957	51.4
323.15277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1436
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
50.38323	0.2
51.02377	0.5
52.18876	0.2
53.03943	1.1
55.01852	0.4
67.05498	0.4
68.23687	0.2
71.33241	0.6
73.42455	0.3
77.03925	0.4
78.03449	1.5
79.05499	0.7
81.07060	0.6
91.05473	3.3
93.07040	0.3
93.88725	0.2
94.04165	0.8
95.04964	3.2
96.04487	100.0
97.04809	0.8
99.33439	0.3
103.05459	0.5
105.04511	0.5
105.07030	7.0
105.10124	0.3
106.07841	0.4
107.04940	1.2
108.04484	0.4
115.05450	2.4
116.06224	0.4
117.07015	0.5
119.04937	11.6
128.06216	2.0
129.06032	0.4
129.06999	9.2
133.06487	5.4
134.07268	14.8
136.07570	18.6
137.07925	0.4
141.06998	3.4
141.07977	0.5
143.08516	0.4
148.28085	0.3
153.07076	0.6
157.06494	1.6
157.50584	0.3
159.08043	0.3
165.07016	0.8
166.07779	0.5
169.06506	0.5
170.07278	0.8
171.08049	0.5
181.06516	0.9
181.10144	0.5
185.05975	16.3
186.06604	0.6
191.08607	0.3
194.07173	0.7
197.05972	0.5
198.06702	0.5
199.07483	2.2
199.11253	0.5
200.57675	0.3
209.09677	1.3
212.08382	0.5
227.10661	14.9
228.10983	0.5
280.38297	0.3
314.83752	0.3
322.14340	4.2
325.98190	0.3
340.85242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.3
60.85270	0.2
65.27837	0.2
69.65049	0.4
69.65449	1.3
71.95251	0.4
98.21425	0.4
98.96930	0.3
98.97582	5.3
116.98616	8.4
119.01931	2.7
122.97815	0.3
134.99657	12.3
135.99947	0.4
137.02951	1.6
140.00160	0.3
140.98825	0.4
142.03468	0.3
146.74680	0.2
153.00734	3.4
158.01228	0.6
158.99895	0.6
160.04576	0.3
164.98866	0.3
172.04614	0.2
174.97646	0.3
176.02393	0.2
177.00948	17.0
178.01035	1.3
179.00725	0.4
182.99760	1.5
192.98734	0.3
194.98572	0.4
195.02014	0.3
200.02574	0.7
201.00909	3.6
202.01016	0.5
205.05661	0.2
206.60497	0.2
207.96274	0.2
214.91847	0.4
214.95584	0.3
216.98666	0.6
218.03542	1.7
219.01999	100.0
220.02133	6.3
221.02168	0.7
230.93250	0.5
232.93047	1.0
232.96628	0.6
234.99768	1.5
235.99933	0.3
236.99518	3.7
237.03104	0.5
238.95601	0.6
242.03607	7.4
243.03786	0.6
246.91083	0.2
250.94084	0.6
250.97919	0.2
253.00848	0.2
256.93765	0.3
256.96625	7.7
257.96686	0.6
258.97183	0.3
258.99814	1.7
260.00153	0.3
260.04761	2.1
261.00055	0.4
261.02994	2.6
262.03226	0.5
262.95584	0.4
263.02957	0.3
265.05112	0.4
272.94394	1.4
273.94516	0.5
274.94125	3.3
274.97650	4.8
275.97729	0.4
276.97900	0.4
277.00836	3.5
278.01077	1.3
279.00922	0.4
279.98169	1.3
280.96646	0.6
283.00061	0.4
284.04758	0.3
288.92099	0.7
290.95401	0.9
291.95560	0.4
292.95190	2.6
292.98611	0.3
297.99216	0.7
298.18658	0.3
298.97675	28.5
299.05569	0.8
299.97842	1.9
301.01077	0.6
302.01294	0.4
314.95779	0.3
315.95490	0.2
316.95197	1.9
316.98761	1.2
317.95190	0.8
317.98895	0.3
321.99261	3.7
322.99466	0.4
325.92346	0.7
326.95483	0.5
328.44226	0.3
334.42825	0.5
334.92978	1.0
335.42996	0.2
340.01968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03935	2.5
55.01862	2.2
55.05512	12.6
56.96565	11.1
57.03419	3.0
59.04982	3.9
61.02905	4.6
61.21802	1.2
62.06084	2.6
67.05503	21.4
69.03416	3.1
69.07062	9.4
71.04997	9.1
71.59214	1.3
71.59595	2.1
73.06536	1.9
79.05492	18.9
79.36132	1.1
81.03407	2.4
81.06588	1.9
81.07053	24.3
83.04964	3.9
83.08614	5.7
85.02886	6.0
85.06527	4.5
91.03939	2.5
91.05482	24.7
93.07044	20.4
95.04958	5.0
95.08618	14.1
97.02879	2.6
97.06528	5.5
97.10152	3.0
98.97543	1.9
105.07032	25.4
107.04918	1.8
107.08598	13.7
109.06534	11.8
109.10158	13.0
111.08057	3.6
117.07006	8.0
119.08582	17.4
121.06491	2.2
121.10131	4.8
123.08052	9.9
125.09608	3.7
127.03880	2.5
129.07043	1.8
131.08566	7.2
133.10123	15.5
135.08064	7.9
135.11678	3.6
137.09656	7.1
139.11108	1.4
143.08531	1.9
145.10115	8.3
147.07928	2.0
147.11703	9.5
149.09598	5.0
151.11180	18.8
157.10170	2.1
159.11702	4.8
161.13275	2.3
163.11177	4.1
165.12773	4.3
169.09984	1.4
171.11655	1.8
173.11771	1.9
173.13223	3.2
179.14320	1.7
195.13806	2.6
199.06418	2.7
201.12608	1.8
217.07515	4.4
219.09131	1.4
229.07472	18.6
229.14294	3.1
231.09189	2.8
239.17963	2.1
247.08534	15.3
247.17107	1.7
252.09048	3.3
257.10672	1.5
257.18994	1.9
263.20065	2.1
269.10608	9.7
269.17343	3.1
270.10635	1.7
287.11639	6.2
289.17932	5.0
289.21555	13.4
321.20917	4.5
321.24219	100.0
322.24359	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.4
55.05507	61.0
57.03432	40.1
67.05502	53.2
69.03426	13.6
69.07059	20.8
69.40122	48.2
69.40529	19.6
75.29955	7.7
79.05495	53.2
81.03430	10.8
81.07064	68.1
83.04980	77.7
83.08606	30.2
83.73363	7.9
85.06585	6.8
91.05472	64.2
93.07022	43.5
95.04967	20.9
95.08601	42.3
97.10166	44.2
98.20791	16.1
99.04445	19.9
103.45330	8.2
105.07050	51.5
107.04951	25.4
107.08595	48.9
109.06514	12.1
109.10168	12.8
111.04464	9.9
117.07006	24.9
119.08586	44.4
121.06516	13.7
121.10110	13.2
123.04478	7.7
123.08080	8.6
125.05975	27.9
125.09625	44.4
129.07004	10.3
131.08571	21.4
133.06508	8.5
133.10106	19.2
135.08064	25.0
135.11671	12.4
137.05956	11.1
137.09637	11.7
145.06467	20.5
145.10120	16.6
147.08060	14.9
147.11678	8.4
149.09615	15.0
151.07520	11.8
156.49837	8.3
157.10100	9.7
159.08022	21.3
159.11690	14.4
161.09660	16.2
163.07518	25.7
171.11685	12.7
173.09615	20.6
183.19629	7.7
187.14813	7.9
199.11229	8.3
203.12820	9.2
215.14345	9.8
225.57019	6.8
231.13692	7.3
233.10210	7.3
233.15292	16.8
238.85255	8.0
253.15823	12.1
261.18420	16.7
271.16989	33.5
289.17978	100.0
303.19574	17.8
321.11209	12.1
321.20514	26.0
321.24149	13.7
334.18530	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	321.2059
Annotation	Hericenol A
Peak:m/z	Relative Intensity
53.03949	2.1
55.01883	5.1
55.05262	3.9
55.05512	47.5
56.96562	2.4
57.03412	3.6
67.05509	14.8
69.03412	3.6
69.07069	10.5
74.48552	1.9
77.70945	1.9
79.05490	22.3
81.03402	2.1
81.07066	17.9
83.04987	4.6
83.08620	21.2
83.16040	2.0
85.02893	2.9
91.05477	19.5
93.07061	16.4
94.02893	2.0
95.04933	3.1
95.08607	9.6
97.10171	44.5
105.07020	9.8
107.04966	2.6
107.08598	23.2
109.06503	3.5
109.10155	8.3
111.08106	3.5
117.06997	10.4
119.04907	3.7
119.08581	27.8
121.02873	2.2
121.06465	3.8
125.09631	39.0
129.07016	4.3
131.04973	2.9
131.08563	6.8
132.05716	6.2
133.06487	2.7
133.10120	5.1
135.08069	17.6
135.11725	3.5
135.61604	2.5
137.09668	4.8
143.08572	2.2
145.06474	7.4
145.10120	4.1
147.08032	12.3
149.09616	4.4
153.09093	7.2
157.10123	5.2
157.12276	5.1
159.08049	14.0
159.11627	4.0
160.08775	3.3
161.09581	3.8
163.07561	9.6
169.10153	3.3
173.09627	6.4
183.11705	2.9
203.12778	28.3
225.16579	2.6
228.41782	2.1
243.13797	2.4
243.17519	4.9
253.16129	2.3
261.18518	5.1
271.16916	19.9
289.17969	100.0
290.18323	4.7
303.19550	23.4
321.20609	8.6
321.24017	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	321.2058
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
53.03940	16.9
55.01870	16.6
55.05515	75.2
57.03431	12.3
57.07066	14.1
67.05505	94.6
69.03414	11.9
69.07066	26.2
69.77175	46.2
71.08620	15.1
79.05509	60.7
81.07065	100.0
83.04986	23.4
83.08611	29.4
89.06043	30.1
91.05466	71.9
93.07047	81.2
95.04982	43.4
95.08604	68.9
97.10180	53.9
98.98428	13.6
103.05478	7.8
105.07027	45.2
107.04946	24.8
107.08592	65.1
109.06509	22.9
109.10145	40.9
111.08102	9.9
117.07030	24.1
119.08588	82.3
121.06512	22.6
121.10153	18.3
123.08086	25.0
125.09645	51.3
129.06953	7.1
131.08585	29.9
133.06462	9.9
133.10136	18.0
135.08063	31.8
135.11729	14.8
137.09669	8.5
138.54922	9.7
139.07542	49.6
143.08597	16.5
145.06459	12.3
145.10115	13.4
147.08060	11.4
151.07591	11.8
153.09100	10.0
157.10106	9.8
159.08072	30.8
159.11725	11.4
161.09595	13.5
173.09648	14.4
177.09111	9.9
177.12778	10.9
203.12769	17.1
225.16328	7.9
261.18570	15.9
271.16910	31.0
289.18018	57.0
303.19601	17.7
303.22928	8.3
321.11118	12.9
321.20706	60.3
323.40527	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	321.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53494	0.9
55.01864	1.3
55.05500	1.7
56.33161	1.0
57.00617	1.0
57.03422	1.2
59.81670	1.0
67.05512	5.2
69.03414	1.6
69.07069	2.0
71.19973	2.1
71.20336	2.0
75.25378	1.1
79.05486	2.3
81.07043	5.3
91.05463	1.8
93.07040	5.4
95.04993	1.2
95.08586	4.8
105.07028	2.4
107.04942	1.6
107.08601	3.2
109.10152	2.4
113.24810	1.1
119.08595	1.5
121.06406	1.1
121.10112	1.7
123.11720	1.2
133.10161	1.6
135.11726	1.4
141.06908	1.0
159.11766	1.0
173.09975	1.1
275.09204	1.7
283.81989	1.0
321.16718	100.0
322.16977	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	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01856	3.1
55.05495	7.9
67.05507	24.3
69.07047	5.0
69.71678	16.2
79.05492	21.8
81.03424	2.9
81.07057	100.0
83.04996	4.3
83.08629	2.3
91.04974	2.9
91.05484	28.1
93.07045	17.1
95.04941	5.9
95.08588	9.2
97.06513	3.8
100.05464	2.7
105.07031	15.2
107.04980	3.8
107.08576	8.1
109.05800	2.9
109.06519	43.9
109.10157	14.1
117.07004	5.1
119.04977	2.6
119.08596	14.0
121.06489	5.4
121.10209	2.9
127.07521	2.5
129.06989	3.5
131.08557	7.7
133.10104	10.4
135.08118	5.0
137.05971	49.9
137.09619	14.2
143.08539	3.2
145.10155	5.6
147.08064	17.4
147.11662	10.5
151.11232	2.9
153.09102	3.3
159.08066	11.7
159.11787	2.5
161.09662	5.6
165.09134	10.8
171.20615	2.6
173.09560	5.8
175.11194	9.4
175.38100	2.5
176.11952	3.1
193.12189	3.4
217.54852	2.5
243.17412	4.7
247.17073	5.6
253.15884	3.8
271.16898	37.8
289.17990	48.5
321.11459	3.6
321.20380	4.1
329.07968	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	321.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
55.44152	0.8
56.96558	1.1
57.03420	1.3
57.07068	1.0
59.05032	0.8
67.05493	3.8
69.03420	1.5
69.07053	1.6
70.30148	3.9
79.05485	2.0
81.07039	3.7
83.04979	1.7
83.08653	1.3
84.04494	1.3
91.05459	3.2
93.07037	3.9
95.04935	2.2
95.08578	4.3
97.06511	1.0
97.10173	1.2
105.07005	3.2
107.08592	2.7
107.15197	0.8
109.06519	1.5
109.10153	1.7
111.08042	1.3
113.29554	0.9
119.08556	1.9
121.10117	2.5
123.08052	3.6
123.11655	1.3
125.06004	1.1
129.06978	1.0
131.08539	1.3
133.10184	1.2
135.11739	0.9
137.09656	1.2
138.77477	0.9
145.10117	1.5
151.07556	6.2
159.08028	1.1
165.09122	1.9
173.13232	0.9
189.12753	1.6
207.13742	4.4
247.13287	1.6
275.09064	1.3
289.08588	1.3
306.08694	1.4
321.10803	2.7
321.16711	100.0
322.17001	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15541	1.6
56.96553	2.4
64.82077	1.6
69.03445	2.0
71.57560	3.4
82.94450	1.8
85.02911	5.8
88.07612	2.1
95.06117	2.3
98.97604	2.9
101.00902	1.9
104.07808	1.5
111.05560	3.8
116.07124	8.0
116.98640	1.6
119.01947	7.8
123.05567	3.4
131.01952	3.3
133.03496	2.2
141.06618	9.3
155.01996	2.1
159.07741	3.7
160.09695	25.4
161.02991	3.5
164.75850	1.8
175.88690	1.8
201.36975	1.9
202.36165	2.0
221.05179	3.1
231.06987	1.8
237.56807	1.9
239.74423	1.8
261.08347	4.4
279.09454	6.3
298.95004	1.9
301.08759	1.7
318.10583	2.9
321.11703	100.0
322.14999	9.6
322.55923	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06670	0.3
52.26383	0.3
56.96557	1.6
57.03410	0.4
58.06598	1.3
61.02917	0.3
69.03429	1.1
70.06564	0.5
71.57900	0.4
71.58259	0.5
73.02922	0.5
82.01926	0.3
83.53252	0.3
84.08144	0.5
85.02908	1.7
88.07626	5.3
89.79464	0.3
93.02047	0.3
97.02885	1.8
98.03239	0.4
98.97575	0.6
99.04495	0.3
102.05547	0.5
102.09998	0.4
105.02071	0.4
109.02922	0.5
110.07182	0.4
116.04757	0.6
116.98631	0.4
119.01797	0.5
127.03931	0.6
128.98601	0.4
131.00185	0.5
134.99580	0.4
139.03876	0.3
141.82513	0.3
146.99658	0.6
147.03143	0.8
147.53267	0.7
149.01219	2.3
156.03632	3.8
156.07674	0.5
156.53784	2.0
157.03728	0.6
160.03693	1.0
160.09691	100.0
161.01216	0.4
161.02904	0.4
161.10141	0.6
167.02312	1.3
167.54379	0.6
168.04581	0.9
177.00584	0.4
208.99702	0.3
217.03714	0.3
228.05722	1.4
228.55873	1.7
229.06013	0.7
237.06195	0.4
237.56400	1.5
238.06494	0.5
303.99811	0.3
311.06552	0.5
319.09970	2.6
319.13449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05766	0.5
53.03936	1.0
55.01862	1.1
55.05505	0.5
57.03428	1.4
61.02910	1.6
62.10189	0.5
67.05461	0.6
69.03436	4.1
69.03796	0.6
69.07056	1.2
70.06570	0.6
70.97929	1.4
73.02898	0.4
81.03408	2.0
81.07071	0.6
82.02873	0.5
82.06583	1.0
83.04964	0.6
84.08134	0.7
85.02901	6.5
86.09663	0.5
87.04441	0.6
91.05462	0.5
93.07022	1.3
95.04917	0.7
95.08595	1.6
96.04465	3.0
96.08127	2.2
97.02879	3.2
97.05255	2.3
97.06496	0.7
99.04439	0.8
100.07594	1.2
108.08082	0.5
109.02886	0.9
109.06525	0.7
110.06030	6.2
110.09679	4.4
111.04443	0.5
111.08067	0.9
114.46188	0.5
120.08078	1.1
121.06487	0.7
125.08357	1.0
126.09145	10.1
127.03909	1.4
137.02287	1.1
138.09128	24.2
139.03893	8.7
139.07504	1.3
145.04942	1.2
156.10193	100.0
157.10518	2.4
163.03879	0.8
168.10182	1.5
169.07631	0.5
170.06042	2.9
172.69638	0.5
178.25072	0.5
180.10251	0.8
191.03366	3.1
198.11258	0.9
207.89557	0.5
222.11229	0.7
288.10522	0.8
318.15442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01876	3.1
56.96550	2.5
57.03424	2.5
61.02930	5.9
63.90277	2.3
66.64471	2.4
67.05489	2.5
69.03426	13.7
70.06594	100.0
71.58572	2.7
71.59005	4.7
73.02901	2.9
81.03423	5.8
84.08128	3.6
85.02905	71.2
88.04015	2.9
91.03947	4.2
93.07037	7.0
95.04951	4.0
97.02910	17.4
99.04452	4.6
103.05469	2.8
107.04972	3.3
109.02880	9.2
111.04418	6.8
121.06505	66.0
123.04453	3.0
127.03940	15.7
130.06520	14.4
131.08588	2.5
132.04437	4.5
138.09138	5.7
139.03905	21.7
145.04939	24.7
145.06522	2.6
146.06068	4.7
153.05550	2.8
156.10196	8.3
157.07597	5.6
158.05986	7.7
159.08049	4.1
159.09254	4.9
161.06017	3.9
163.03905	6.8
163.05977	3.8
166.05937	2.5
169.07516	3.2
170.06030	26.3
175.08672	9.5
187.07576	7.9
191.03311	6.4
203.08131	6.5
205.08607	9.5
221.09206	18.6
229.08644	2.9
237.06551	2.8
247.09814	3.6
300.09848	6.6
318.12122	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	317.2111
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03926	2.4
55.01882	5.0
55.05516	16.0
57.07078	10.9
57.87553	2.2
59.04991	7.6
60.04514	9.7
62.93733	3.0
67.05505	65.3
69.03430	4.6
69.07070	10.9
69.44778	19.0
70.06582	6.7
71.04986	2.9
79.05505	12.7
81.07058	32.1
83.04983	3.5
83.08629	5.0
85.06531	4.8
87.04482	3.9
88.07644	8.2
91.05486	20.8
93.07021	20.1
95.04968	28.0
95.08624	21.3
97.06528	6.2
99.04461	2.2
102.09187	6.9
105.07024	21.8
107.05006	2.5
107.08599	50.6
107.09299	3.8
109.06520	22.9
109.10155	100.0
110.10509	3.5
117.07034	5.1
119.08573	64.3
121.06505	7.4
121.10148	9.5
123.08076	32.1
129.06998	3.4
131.08572	7.7
133.06497	6.4
133.10153	8.7
135.08069	11.3
135.11687	3.3
137.06006	3.2
137.09618	71.1
138.09955	3.4
138.13550	2.3
139.07516	3.0
143.08604	5.3
145.10150	11.8
147.08083	5.7
147.11682	6.4
149.09639	7.4
151.07538	70.2
153.05482	4.9
153.09044	2.4
156.09409	3.9
157.10089	3.2
159.08060	6.6
159.11723	4.4
161.09631	8.7
163.07484	2.6
163.11185	6.7
165.09157	6.4
167.03389	21.0
167.07077	2.7
169.10162	3.3
171.11705	6.8
172.71246	2.7
173.09578	3.7
173.13197	2.7
175.11299	3.4
177.09210	3.9
181.08603	9.0
181.12286	4.0
183.11551	3.8
189.12744	30.5
190.13055	2.3
197.13312	3.8
199.11174	3.6
207.13805	30.3
215.14380	3.2
217.12178	2.5
221.15321	5.4
224.98430	2.1
237.14796	5.1
243.13829	9.5
256.26505	12.4
261.14853	2.9
281.18954	3.2
299.20084	10.7
317.17480	2.4
317.21103	57.0
317.24634	4.6
317.28836	6.3
318.21359	3.8
318.30002	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	317.211
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03947	2.3
55.01875	3.9
55.05515	16.4
57.07066	7.6
59.04997	8.6
60.04519	6.9
65.03926	4.2
66.59935	1.8
67.05502	64.6
68.99800	1.9
69.03430	7.3
69.07060	8.9
69.73497	13.7
70.06586	4.8
71.04977	3.9
71.08611	1.7
76.95244	1.7
79.05482	14.0
81.07053	34.6
83.04986	5.7
83.08614	6.2
85.06535	3.6
87.04491	3.5
88.07629	5.6
91.05479	23.2
93.07034	25.7
95.04955	35.6
95.08607	25.3
97.06533	10.5
102.09153	3.9
104.12659	1.7
105.07026	20.8
107.04941	2.3
107.07869	2.6
107.08591	45.7
109.06513	24.4
109.10153	100.0
111.08084	3.7
113.96714	1.9
116.64510	1.7
117.07013	6.0
119.08578	64.4
121.06495	7.6
121.10164	10.2
123.08057	28.1
131.08549	8.5
133.06491	7.2
133.10121	11.5
135.08067	14.7
137.09615	79.4
143.08597	6.2
145.10124	11.4
147.08015	5.9
147.11720	6.3
149.09619	6.9
151.07536	76.1
153.05463	7.4
155.08534	2.8
156.09425	6.2
157.10062	3.8
159.07973	3.9
159.11685	5.0
161.09621	11.3
161.13246	2.7
163.07501	2.9
163.11232	5.3
165.09070	8.3
166.31906	2.2
167.03386	26.9
169.10184	4.3
171.11688	4.3
173.09612	3.8
173.13298	4.0
175.11215	6.0
177.09108	3.4
177.12781	2.6
179.10718	2.5
181.08600	4.5
181.12210	4.5
183.11711	4.6
185.13310	3.0
189.12747	29.1
191.14163	2.0
197.13202	2.2
199.11230	3.0
199.14787	2.2
201.12729	2.5
203.14362	2.2
207.13763	25.8
215.14340	2.8
219.13809	3.3
221.15311	5.1
237.14835	5.4
239.17970	3.8
242.19217	2.3
243.13734	9.4
256.26321	12.2
261.14819	4.9
264.12085	2.4
281.18994	2.9
299.20099	11.3
317.17416	3.6
317.21091	64.8
317.28677	5.5
318.21552	5.2
318.29980	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	317.211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.7
55.05507	3.7
57.07075	8.8
57.18189	0.7
58.06593	1.4
59.04988	1.6
59.08007	0.6
67.05170	1.1
67.05503	14.4
69.03424	2.1
69.07068	2.0
69.70327	4.4
70.06593	15.1
70.77650	0.8
71.08625	2.6
72.08187	0.7
79.05482	3.5
81.07053	9.1
83.04983	1.6
83.08607	1.4
88.07631	19.1
91.05473	4.1
93.07051	5.7
95.04976	7.5
95.08609	6.3
97.06533	1.8
102.09185	12.5
105.07034	5.4
106.18343	0.6
107.04939	0.9
107.08595	11.1
109.06527	4.4
109.10162	22.4
117.06982	1.5
119.08582	14.2
121.06525	1.3
121.10148	2.3
123.08071	8.1
125.05979	0.7
129.06979	0.8
130.07785	0.7
131.08562	1.6
132.10240	0.9
133.06505	1.4
133.10107	2.5
135.08040	2.0
137.05986	0.7
137.09607	18.0
139.07487	0.8
143.08560	1.4
145.10121	2.8
146.11781	0.8
147.08005	1.0
147.11674	1.3
149.09636	2.3
151.07549	17.2
153.05437	1.4
156.09363	0.9
157.10126	1.0
159.08049	1.1
159.11729	1.9
161.09637	2.9
161.13283	1.1
163.11151	1.4
165.09123	1.9
171.11630	1.3
173.09616	0.9
177.09146	1.3
177.12761	0.6
178.64157	0.6
181.08595	1.6
183.11710	0.8
189.12746	7.4
191.10648	0.9
199.11232	1.1
202.55186	0.7
203.14339	0.8
207.13838	6.6
212.23964	0.6
213.12889	0.6
215.14294	1.4
217.12227	0.8
221.15338	1.1
231.13782	0.8
237.14819	1.7
243.13765	2.5
256.26355	39.4
262.14371	3.5
299.20059	2.7
300.28873	3.4
317.21136	14.7
318.30032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01866	3.4
55.05513	23.5
57.03418	3.1
64.90611	2.0
65.03932	2.9
67.05506	25.9
69.03139	1.7
69.03438	18.6
69.07063	16.0
69.90634	10.0
71.04982	6.6
72.24771	1.6
75.86378	1.7
79.05495	17.9
81.03420	30.5
81.07055	32.0
83.01332	2.7
83.04972	6.5
83.08598	4.9
85.02896	5.7
85.06538	2.9
90.07867	1.6
91.05484	33.6
93.07046	29.4
93.10034	1.8
95.04970	52.4
95.08611	21.7
97.02853	2.7
97.06514	7.2
97.10168	25.4
103.05450	7.0
105.07028	38.8
107.04952	100.0
107.08606	17.0
108.05247	6.0
109.02876	4.6
109.06533	12.8
109.10161	20.2
111.08060	3.5
115.05441	5.0
117.07011	14.3
119.04946	14.7
119.08585	23.0
120.05664	2.1
121.06548	18.5
121.10140	9.9
123.04422	21.6
123.08055	6.7
123.11671	4.3
124.07628	2.4
125.05994	1.9
125.09648	5.4
127.03915	4.2
128.06229	5.0
129.06995	7.2
131.04904	5.8
131.08569	19.2
133.06511	15.1
133.10129	16.3
135.04364	2.3
135.08043	16.4
135.11678	8.0
136.05084	1.7
137.05972	6.7
137.09674	4.2
139.11092	2.4
142.07796	4.2
143.08574	11.4
143.10674	4.5
145.06462	14.3
145.10121	15.2
146.07114	2.9
147.04414	20.8
147.08012	5.2
147.11700	11.8
149.06001	35.8
149.09610	15.1
151.03900	6.5
151.07491	4.0
151.11151	2.8
153.01828	6.0
153.05415	5.5
153.12738	4.1
155.08513	5.1
157.10118	12.7
159.04434	3.1
159.08037	4.2
159.11652	8.6
161.05945	4.4
161.09625	37.7
161.13243	5.6
163.03838	2.4
163.11148	6.4
164.04620	2.4
165.05490	33.7
165.06929	3.0
168.09209	2.3
169.10124	6.1
171.11699	5.3
173.05988	8.5
173.09636	8.3
173.11809	3.3
173.13274	6.3
175.11180	19.6
175.14696	2.2
177.05469	59.2
177.09103	2.4
177.12767	2.1
179.07047	28.8
179.10736	2.1
180.07359	3.5
183.11687	3.3
185.09470	1.9
185.13210	3.8
187.11099	5.1
187.14746	4.2
189.05521	2.1
189.12790	2.5
189.16371	2.2
191.10666	4.1
193.04929	5.0
197.08110	28.7
197.13258	6.5
198.08432	2.9
199.14905	2.5
201.12691	7.6
203.10646	2.5
203.14279	3.5
205.08586	16.4
211.05992	8.9
211.14850	3.2
215.14275	2.7
223.09576	9.7
225.16391	3.8
229.05064	4.1
245.04398	2.2
247.17067	2.8
253.19481	4.3
257.04373	5.8
261.18564	2.2
271.20520	6.9
274.04599	3.5
281.15579	1.9
281.18982	6.0
284.10089	3.6
285.03671	2.8
289.21490	3.0
299.09555	3.3
299.12729	4.7
299.17068	1.8
299.20093	13.2
302.04221	8.1
317.06641	39.6
317.10373	4.8
317.13562	7.8
317.21265	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29980	4.4
56.96559	25.4
63.37556	4.1
70.18890	23.0
74.02441	4.6
84.04510	11.8
85.02921	8.5
97.02915	8.8
98.21549	4.7
98.97589	9.8
110.07178	8.1
110.97601	5.1
116.98663	14.3
119.01914	11.2
128.98610	4.6
134.99666	15.7
136.94011	33.9
153.00671	6.6
154.94124	9.4
156.07718	8.9
161.01268	9.6
172.95268	25.9
177.00912	11.8
180.89398	10.3
190.96356	27.2
196.86819	100.0
203.23616	4.2
212.93275	21.1
214.96214	7.8
216.98798	6.7
220.02017	5.7
230.94350	54.0
231.03728	8.6
231.94431	5.2
234.83344	6.9
237.02985	5.8
240.98276	5.1
248.03169	5.7
254.94260	10.7
255.03871	10.6
256.88669	5.2
256.97067	4.9
270.99292	12.2
271.99149	5.1
272.95358	42.2
275.02917	5.4
283.97958	5.4
288.92178	5.5
292.89850	29.9
298.81570	5.5
310.90802	51.9
313.00357	5.1
316.99484	7.8
328.91168	8.2
329.98279	6.8
334.81546	10.5
335.00259	15.1
335.04520	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	317.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29980	4.4
56.96559	25.4
63.37556	4.1
70.18890	23.0
74.02441	4.6
84.04510	11.8
85.02921	8.5
97.02915	8.8
98.21549	4.7
98.97589	9.8
110.07178	8.1
110.97601	5.1
116.98663	14.3
119.01914	11.2
128.98610	4.6
134.99666	15.7
136.94011	33.9
153.00671	6.6
154.94124	9.4
156.07718	8.9
161.01268	9.6
172.95268	25.9
177.00912	11.8
180.89398	10.3
190.96356	27.2
196.86819	100.0
203.23616	4.2
212.93275	21.1
214.96214	7.8
216.98798	6.7
220.02017	5.7
230.94350	54.0
231.03728	8.6
231.94431	5.2
234.83344	6.9
237.02985	5.8
240.98276	5.1
248.03169	5.7
254.94260	10.7
255.03871	10.6
256.88669	5.2
256.97067	4.9
270.99292	12.2
271.99149	5.1
272.95358	42.2
275.02917	5.4
283.97958	5.4
288.92178	5.5
292.89850	29.9
298.81570	5.5
310.90802	51.9
313.00357	5.1
316.99484	7.8
328.91168	8.2
329.98279	6.8
334.81546	10.5
335.00259	15.1
335.04520	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	317.1018
Annotation	Eriodictyol 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
50.03139	0.6
52.80033	0.6
53.03940	0.7
55.01847	1.4
55.05498	0.8
56.42646	0.5
57.20256	0.6
65.03910	0.9
67.05492	2.2
68.99786	2.2
69.03426	21.5
69.33402	5.0
69.33823	1.4
73.81912	0.7
79.05482	1.1
80.75436	0.6
81.03391	1.4
81.07069	1.1
82.97986	0.6
84.86166	0.5
85.02920	1.3
85.06523	0.6
91.05499	3.9
93.07030	1.0
95.04963	2.4
95.08603	0.8
96.04507	4.1
97.02876	1.0
97.04814	2.8
98.21473	1.0
105.07040	1.2
107.04949	1.8
107.08596	1.1
109.02866	0.8
109.06543	0.6
109.21812	0.6
109.84301	0.6
111.04457	1.2
119.04949	8.8
121.06500	1.9
123.04427	55.1
124.04794	0.9
125.02354	2.7
125.05943	0.9
127.03926	0.7
127.04975	1.0
131.04852	0.7
135.04422	2.3
137.06006	3.3
139.03920	4.3
141.05444	3.9
143.04901	1.4
145.06554	0.7
147.04413	21.9
149.05963	6.2
151.03886	1.9
151.07553	1.2
153.01831	5.1
153.05479	6.3
154.08630	1.5
155.09042	1.4
161.05983	6.8
163.03912	5.6
163.07655	0.6
165.01787	2.1
165.05473	100.0
166.05783	2.3
167.03394	0.8
177.05446	5.7
179.03311	0.7
179.06976	2.3
183.02888	3.5
189.05482	2.3
191.03386	15.1
192.03644	0.6
195.02962	1.4
195.06468	4.1
197.40353	0.6
205.04956	1.0
207.06537	5.1
209.04425	4.4
219.02902	3.5
225.05481	0.6
241.04904	0.7
257.08279	0.7
263.01831	0.9
271.10632	0.9
299.05667	1.1
299.09283	2.6
317.06506	15.4
317.10260	23.2
318.06848	0.7
318.10614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1017
Annotation	Eriodictyol 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
51.02362	0.6
55.01858	1.7
55.05497	1.2
58.38647	0.4
62.56285	0.4
63.00415	0.5
67.05495	1.4
68.99787	1.3
69.03426	19.5
71.58611	0.7
77.03932	0.5
79.05453	1.2
81.03410	1.0
81.07067	1.2
81.62141	0.5
83.04998	0.8
85.02895	2.1
91.05479	4.4
93.07035	1.5
95.04964	2.4
96.04489	4.9
97.02880	1.1
97.04825	2.8
97.06505	0.7
103.05473	0.5
105.03416	0.6
105.07013	1.3
107.04951	1.2
107.08586	1.3
109.02866	0.8
109.06502	1.2
111.04444	1.1
115.05463	0.8
119.04947	8.0
121.02882	0.6
121.06499	1.7
123.04429	53.7
124.04774	1.3
125.06020	0.6
127.03899	1.2
127.04974	0.6
133.06503	1.6
135.04431	1.4
135.11601	0.6
137.02354	1.0
137.05980	3.4
139.03909	3.9
141.05476	4.6
143.04933	1.2
147.04414	21.8
149.05954	4.3
151.03859	1.7
151.07513	0.8
153.01796	1.5
153.05466	5.6
154.08565	1.2
155.09077	2.4
159.04462	0.5
161.05984	5.1
163.03891	2.0
165.01833	2.2
165.05473	100.0
166.05830	1.9
177.05467	6.5
179.06999	2.3
181.04918	0.7
182.08263	0.6
183.02864	3.2
187.07469	0.7
187.73404	0.5
189.05463	2.2
191.03455	1.3
195.02820	1.1
195.06573	3.8
207.06540	5.9
211.07527	0.6
217.82202	0.5
289.33511	0.5
299.06274	0.5
299.09256	3.3
317.06546	4.5
317.10272	19.6
317.17529	0.8
317.20865	0.5
318.10562	1.5
335.07513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Milimorin
Peak:m/z	Relative Intensity
53.03938	0.3
53.93437	0.2
55.01870	0.4
55.05511	1.3
55.81178	0.2
57.07074	0.2
65.03938	1.1
67.01834	0.2
67.05499	1.0
68.99792	0.9
69.03424	0.8
69.07072	1.0
69.79941	1.3
79.05468	0.9
81.03409	0.7
81.07056	1.9
83.04959	0.3
83.08627	0.3
85.02894	0.3
91.05488	1.4
92.02628	3.6
93.03408	3.6
93.07044	1.3
95.01350	0.3
95.04971	1.5
95.08596	1.0
97.02890	0.3
97.06524	0.2
97.10161	0.6
98.20841	0.4
103.05444	0.4
105.07032	1.8
107.04970	0.7
107.08612	0.9
107.09423	0.2
109.02872	0.6
109.06492	0.4
109.10152	0.9
111.00791	0.5
111.04417	0.2
116.06181	0.3
116.98586	0.2
117.07053	0.5
119.04907	0.4
119.08579	0.9
121.02860	2.7
121.06506	0.9
121.10156	0.7
122.03690	0.4
123.04424	1.5
123.11699	0.2
124.01607	0.3
126.03125	1.7
128.06232	0.4
129.06987	0.4
131.04936	0.8
131.08566	0.7
133.02870	0.4
133.06525	0.3
133.10106	1.0
135.04381	0.4
135.08032	0.6
135.11650	0.4
137.02335	0.8
137.05963	1.1
139.03871	1.3
140.07066	0.4
143.08578	0.4
145.06491	0.5
145.10112	0.9
147.04366	0.6
147.11681	0.3
149.05960	0.5
149.09608	0.6
149.13387	0.3
151.03911	1.9
151.07515	0.4
153.01825	20.4
154.02118	0.2
155.04932	0.5
157.10121	0.3
159.11729	0.3
161.05971	0.6
161.09618	1.1
161.13211	0.3
163.03911	3.5
163.11168	0.3
165.01833	1.8
165.05493	1.7
166.02568	0.5
167.07008	0.5
170.02094	0.3
173.05971	0.5
175.07564	0.2
175.11205	0.5
177.05505	0.9
178.08762	0.2
179.03383	0.5
179.10645	0.5
181.04938	1.8
183.02901	0.9
183.04379	0.4
185.13344	0.3
186.72095	0.2
190.06355	0.3
191.03374	0.2
191.10648	0.2
192.04240	0.3
200.04680	1.1
201.05479	2.0
201.12843	0.3
203.03384	2.0
204.04018	0.3
217.04958	3.9
218.05762	1.7
218.11761	0.6
219.02884	0.8
225.05446	0.2
228.04169	4.7
228.10156	0.3
229.04953	5.8
230.05452	0.2
231.02847	1.2
232.03661	0.3
234.98839	0.3
243.06667	0.6
243.11035	0.2
245.04466	4.7
246.05238	4.0
246.11238	0.3
256.03690	0.7
257.04459	4.3
260.03180	0.7
261.07498	0.6
271.06012	0.4
271.10965	0.3
273.03949	3.6
274.04706	8.3
275.05191	0.2
284.03064	1.1
285.03937	5.4
286.04495	0.4
287.01968	0.2
287.12808	0.6
299.05579	0.3
299.09854	0.6
299.20218	0.4
301.03497	0.6
302.04205	25.0
303.04599	0.8
317.06558	100.0
318.06882	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	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.96647	0.3
55.01863	0.4
55.05500	0.9
57.07059	0.3
62.92517	0.4
65.03944	1.1
67.05492	1.0
68.99783	0.6
69.03419	0.6
69.07070	0.5
69.65190	1.9
71.04980	0.3
79.05465	0.6
81.03404	1.0
81.07041	1.1
85.02852	0.3
85.76665	0.3
91.05493	1.6
92.02623	4.2
93.03410	2.4
93.07040	1.4
95.04955	1.3
95.08620	1.4
97.10138	0.7
103.05475	0.7
105.07015	1.3
107.04912	0.5
107.08587	1.0
109.02866	0.5
109.06492	0.8
109.10155	1.0
111.00777	0.4
111.04474	0.3
117.07009	0.3
119.08553	1.1
121.02872	2.5
121.06490	0.4
121.10107	0.6
122.03607	0.4
123.04417	0.8
123.08035	0.5
126.03156	1.4
129.06964	0.5
131.04922	0.6
131.08554	0.5
133.06516	0.6
133.10088	0.7
135.04369	0.3
135.08040	0.6
137.02365	0.5
137.05933	0.5
139.03873	0.9
143.08574	0.5
145.06526	0.3
145.10072	0.5
147.11688	0.5
149.06007	0.4
149.09644	0.6
151.03923	2.0
153.01823	19.6
155.04962	0.4
157.10146	0.4
159.11682	0.5
161.06006	0.4
161.09630	0.9
163.03920	0.7
165.01855	1.7
165.05547	0.8
173.05988	0.4
177.05405	1.4
183.02946	0.5
183.04355	0.7
184.97910	0.3
190.06274	0.4
200.04584	0.8
201.05478	2.4
203.03430	2.2
204.04066	0.3
205.04904	0.3
213.12842	0.3
216.67157	0.3
217.04965	4.0
218.05685	1.5
219.02866	0.9
228.04202	4.5
229.04953	5.4
230.05557	0.4
231.02832	1.6
245.04501	4.4
246.05170	3.8
256.03741	0.6
257.04456	4.2
260.03250	1.1
261.07550	0.6
271.05969	0.5
271.10712	0.3
273.03885	3.7
274.04681	8.1
274.48483	0.3
281.19150	0.3
284.03113	0.9
285.03955	5.7
288.06345	0.4
299.20227	0.4
301.03268	0.4
302.04196	22.9
303.04608	0.5
317.06552	100.0
317.20950	1.4
318.06876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05514	4.7
56.05035	5.0
57.07071	2.5
58.08529	0.6
60.04523	100.0
61.04861	0.7
63.86727	0.5
67.05504	8.3
69.07068	4.5
69.56902	4.7
70.06590	1.0
71.05013	0.7
71.08630	0.9
72.04507	1.8
74.06082	2.2
79.05488	4.4
80.05007	1.0
81.07054	7.8
82.06576	1.5
83.04968	0.7
83.08612	4.1
86.06057	0.9
87.04472	2.7
90.05543	0.7
91.05480	3.4
93.07038	3.5
94.06550	0.6
95.04977	0.8
95.07343	0.6
95.08603	7.9
96.08125	0.7
97.10162	1.8
98.20745	0.8
105.07032	1.3
107.08598	1.7
109.10142	3.4
111.11703	0.8
112.07618	0.6
114.23183	0.6
116.98618	0.6
119.08589	1.7
121.10142	1.4
123.11723	1.4
133.10127	1.4
135.11711	0.8
137.13217	0.8
149.13203	0.6
212.23782	0.8
250.25221	1.6
256.26364	1.2
262.25183	1.6
263.23694	0.7
268.26306	0.8
276.59985	0.7
280.26343	12.3
283.18451	0.6
298.27438	10.2
311.99414	0.7
316.28433	29.3
317.28802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05509	1.6
56.96567	0.6
66.66662	0.5
67.05504	1.1
69.03415	1.3
69.07073	1.2
70.62180	1.9
79.91581	0.5
80.05009	1.1
80.05828	0.5
81.03411	1.3
81.07043	2.5
84.08118	0.5
85.02908	1.2
87.04475	0.8
89.69978	0.5
91.05481	6.1
93.07045	14.0
95.04961	4.3
95.08611	1.0
96.08135	0.8
97.02911	0.8
98.06025	0.9
98.21413	0.6
98.97565	1.0
103.05465	7.2
105.07006	1.0
107.04951	2.2
107.08595	1.3
109.02877	2.1
110.09690	1.8
116.98598	1.2
117.06968	0.6
121.06503	98.4
121.10123	1.6
122.06833	1.3
122.09663	0.9
123.04436	1.2
123.10440	0.7
135.11676	1.1
136.11188	3.9
137.13289	0.7
147.04422	0.7
150.12767	2.3
152.14340	40.6
153.14624	0.8
158.99797	0.6
161.05984	0.7
165.05499	1.2
177.00708	0.8
196.16977	2.9
200.10747	3.2
202.12193	0.8
218.11736	5.2
218.15250	1.0
228.10173	0.7
242.15375	0.8
243.13385	0.6
246.11252	0.8
246.84554	0.6
257.04514	0.9
272.20090	100.0
273.20386	3.5
274.21613	0.7
284.10092	0.8
294.62497	0.6
316.22705	84.1
317.06467	1.7
317.10587	1.1
317.23221	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52412	0.4
55.01875	0.6
55.05505	1.9
56.05037	3.0
61.02047	0.4
65.03917	0.5
67.05505	5.5
69.03423	4.6
69.07062	1.1
70.06590	7.7
70.15735	2.3
71.04984	0.8
79.05490	2.7
81.03407	0.7
81.07050	11.6
83.08608	1.2
84.04507	1.0
84.08134	0.9
85.02892	0.9
85.06561	0.5
86.06065	19.1
86.09700	5.7
87.04466	17.6
91.05481	4.9
93.07038	1.5
95.08611	1.2
96.08142	2.4
97.06505	0.7
98.06053	37.2
98.97594	0.7
104.07116	1.0
105.07031	2.4
107.08596	2.0
107.24287	0.5
109.02883	1.6
109.10156	1.3
112.07611	2.5
116.98567	0.6
118.35674	0.4
121.10118	0.5
123.04421	1.3
123.11703	2.3
123.68729	0.4
124.07587	12.4
126.09093	0.4
127.22060	0.5
130.06517	0.4
131.08504	0.6
132.61789	0.4
133.10121	6.4
135.11697	0.4
137.06035	0.6
140.10692	0.7
147.04385	0.9
151.11177	12.6
152.11479	0.5
154.04982	0.9
157.13322	2.5
158.11775	2.7
165.05495	2.4
167.07173	0.7
168.13832	7.7
169.07553	0.5
185.12802	1.0
186.14883	2.7
195.02957	0.9
196.03203	1.3
208.17012	1.2
236.16435	15.4
257.04413	3.1
271.14389	0.5
272.18552	100.0
273.18857	2.3
299.13950	0.7
301.06900	0.5
303.10941	0.4
316.09711	0.5
316.13483	2.9
316.21146	17.4
317.06519	2.2
317.10159	0.7
317.21259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.96558	7.1
57.03432	0.8
60.98515	0.5
61.02920	1.4
65.03934	1.3
67.05514	3.4
69.03424	3.8
70.06567	0.8
71.09292	0.5
71.09634	1.2
73.02910	0.8
75.58633	0.5
79.05499	0.9
81.03408	1.4
81.04502	0.5
81.07043	1.7
84.08133	0.7
84.59745	0.4
84.96023	1.9
85.02911	4.6
85.52226	0.5
87.04446	0.9
87.82742	0.5
89.03886	0.6
91.05464	2.4
93.05793	1.5
97.02892	3.4
98.97578	6.8
99.04438	0.9
101.02367	0.5
106.06579	0.9
108.08120	10.2
109.02897	0.5
110.97566	3.1
112.07607	0.6
112.99137	0.9
116.07082	3.9
116.98634	5.1
118.06535	2.0
123.06794	1.2
124.07559	2.3
126.05517	0.6
127.03872	1.6
128.98601	5.5
131.00162	1.5
134.06004	0.6
134.99675	1.1
135.04411	0.7
136.07576	100.0
137.05991	5.5
137.07768	0.7
138.09148	1.7
140.00186	1.9
143.00116	0.6
146.99626	4.1
149.01198	1.1
152.07066	1.7
154.01779	3.1
154.03731	0.9
154.05003	15.8
154.08629	54.3
155.09016	0.8
158.01279	2.7
158.99629	1.6
161.01208	1.2
163.03995	1.2
170.01173	0.8
170.99702	1.0
172.02808	10.1
172.04178	0.9
173.01224	0.8
176.02248	1.0
177.00732	1.6
189.00648	1.1
190.03874	12.5
196.02739	0.8
200.02341	0.8
201.00647	0.6
208.04904	4.6
209.02736	1.3
214.03928	4.3
214.05782	0.8
218.03368	1.0
219.01791	3.9
232.04919	10.5
232.07140	1.0
237.02823	7.7
244.04901	1.5
250.06021	1.3
255.03845	0.9
274.05923	1.3
295.06833	0.6
316.07220	11.2
316.10495	3.7
316.13864	49.8
334.08066	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	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34893	0.4
52.77030	0.4
53.03938	0.9
55.01868	0.7
55.05509	0.6
57.03427	0.8
60.04519	0.8
61.02913	1.5
65.03922	0.7
66.97836	0.4
68.05031	0.5
69.03428	4.5
69.07053	1.7
70.06590	3.2
70.54717	0.4
70.84694	1.0
71.04984	0.5
72.08138	1.9
73.02921	0.7
73.80553	0.4
78.72890	0.4
79.05499	2.0
80.03001	0.4
80.05023	0.6
81.03407	1.9
81.06732	0.4
81.07062	3.9
82.06583	2.9
84.08150	1.1
85.02417	0.7
85.02909	8.9
85.06537	0.5
86.09702	7.8
87.04451	0.8
87.05587	0.4
88.07608	0.4
89.76581	0.4
91.04972	0.5
91.05486	6.1
93.05802	2.9
93.07059	0.9
94.06567	1.0
95.04986	0.6
95.08634	0.5
96.08111	0.8
97.02885	3.9
98.21444	0.4
99.04465	1.3
105.06970	0.4
106.06551	0.4
107.04941	0.7
108.08121	31.6
109.02887	1.2
109.06526	1.9
109.08472	0.5
110.06061	0.4
115.03903	0.8
116.07092	5.8
116.07847	0.7
116.37559	0.4
117.05727	0.4
118.06511	0.7
119.04917	0.7
119.07391	0.4
120.60795	0.4
122.06020	0.6
123.04418	2.3
123.06796	1.9
124.07593	20.9
127.03924	1.8
134.09662	0.4
136.07588	15.2
137.05997	2.2
138.09132	0.5
139.03923	0.5
145.04965	0.8
147.04395	1.0
150.09184	0.7
151.03931	0.4
154.08633	100.0
155.09032	1.0
159.06514	1.2
163.03923	0.8
165.05524	2.5
165.06697	0.5
166.08687	1.6
173.12897	2.9
176.09218	0.7
178.08667	1.4
196.09703	1.5
199.18071	0.8
201.12442	0.7
216.12363	1.9
253.08794	0.5
284.10196	0.4
287.10294	1.0
306.12289	0.4
316.14270	0.9
316.21042	2.5
317.06622	0.8
317.11969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
61.09761	1.0
69.03422	1.5
70.06565	1.7
71.58215	1.4
72.08136	1.1
83.50163	0.9
84.04469	0.9
84.08150	1.2
85.02914	1.7
86.09710	1.3
97.07613	0.8
98.97572	1.4
109.02918	1.0
110.06044	2.3
126.05512	3.9
136.06192	1.5
136.07520	1.4
137.06030	1.0
154.04991	100.0
154.08626	3.5
156.50407	1.0
163.03935	1.5
163.33679	1.0
169.27663	0.9
295.57959	1.0
316.10510	5.7
316.13663	1.5
317.12213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01873	0.3
57.03426	1.1
59.04996	1.6
61.02933	1.8
69.03431	4.5
69.68983	1.8
71.04996	0.6
73.02917	0.6
78.03442	0.7
80.12850	0.3
81.03415	1.7
81.07098	0.3
83.04974	0.3
85.02906	13.7
86.06107	0.3
87.04457	0.9
91.03921	0.4
91.05504	0.3
91.36431	0.3
96.04493	100.0
97.02894	2.9
97.04812	0.8
98.20685	0.3
99.04449	0.8
101.06028	0.5
105.03407	0.2
109.02871	1.1
123.04424	1.2
127.03919	3.3
136.07558	1.6
138.09059	0.3
138.89882	0.3
145.04959	1.8
147.04471	0.4
154.08633	44.8
155.08980	0.6
163.06119	0.3
165.05515	1.5
198.07869	0.6
213.10349	0.4
255.98830	0.3
287.10242	3.3
299.09036	0.3
316.14191	1.3
316.20544	0.3
317.11108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19078	0.4
55.01882	0.6
56.96560	4.2
57.03431	0.8
61.02905	0.6
65.03947	0.6
67.05508	3.3
69.03426	2.2
70.06581	0.8
70.22231	0.9
70.22646	1.2
70.41557	0.4
71.04985	0.7
72.04503	0.4
73.02915	0.6
79.05509	0.6
81.03416	0.7
81.04541	0.8
81.07068	0.7
83.20555	0.4
84.96028	1.1
85.02898	3.4
87.04459	0.9
87.73298	0.4
91.05461	2.3
93.05785	1.5
95.04971	0.7
95.06097	0.5
97.02892	1.8
98.06018	0.5
98.97598	4.4
99.04432	0.5
106.06522	0.8
108.08116	9.0
109.06487	0.6
110.06001	0.6
110.97555	1.9
116.07092	1.7
116.98614	2.5
117.05799	0.4
118.06535	1.7
123.06815	1.2
124.07589	1.9
127.03935	1.0
128.98582	3.2
131.00166	1.2
133.37773	0.4
134.99652	0.9
136.07574	100.0
137.05972	5.2
137.08325	0.6
138.09166	1.7
140.00162	0.8
146.99632	2.4
149.01286	0.5
152.07047	1.2
153.06651	0.7
154.01732	1.7
154.05008	10.9
154.08624	49.0
158.01236	1.2
158.99722	0.7
161.01219	0.9
163.04021	0.7
170.01263	0.5
172.02818	4.5
173.01324	0.4
177.00726	1.3
178.04947	0.6
186.03853	0.5
189.00677	0.7
190.03854	7.1
201.00812	0.4
202.03896	0.5
208.04901	2.1
209.02747	0.7
214.03824	1.7
219.01749	1.7
232.04921	5.2
237.02849	4.7
244.04980	0.4
250.06029	1.4
256.04816	0.5
274.05914	0.7
316.07315	7.3
316.10687	1.8
316.13864	41.3
334.08041	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	316.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01960	10.3
57.83759	11.6
59.73791	11.3
68.18829	11.8
70.20181	36.8
104.92171	10.7
106.06001	11.8
136.07570	39.3
146.95952	12.0
154.08644	17.6
172.68369	12.0
230.08014	12.8
239.06151	10.9
282.07275	13.0
316.07867	100.0
316.13873	27.5
336.24704	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	316.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	7.8
65.53728	1.7
67.23785	1.9
69.72367	13.0
69.96156	3.6
70.95841	1.7
72.33036	2.2
73.29991	2.1
74.04605	1.8
75.61935	1.6
88.29163	1.8
98.97577	10.8
107.06802	1.7
116.98639	14.8
119.01910	15.8
134.99677	21.7
137.02943	8.5
141.89366	2.4
149.97176	2.8
153.00665	4.7
155.01405	3.9
160.24657	1.8
177.00945	35.1
178.01001	11.0
179.00723	8.1
180.00838	2.4
197.00586	2.8
200.02646	2.4
201.00958	2.3
203.02473	3.2
204.02449	1.8
207.96411	2.6
208.96216	2.2
217.04132	3.1
219.02013	49.1
220.02055	15.2
221.01755	17.8
222.01790	2.8
230.67986	1.9
234.99814	9.8
235.03166	2.0
239.63351	1.8
242.03662	2.6
243.02003	4.0
244.03531	2.8
250.97313	3.4
252.94614	6.9
253.00987	1.8
256.96622	6.7
258.96399	3.3
259.00040	2.8
261.03058	100.0
262.03149	12.7
263.02936	7.0
264.03003	5.8
267.95004	2.4
274.06821	3.0
274.94797	2.2
274.97443	13.8
276.04355	3.2
277.00977	4.2
278.01129	3.4
279.00589	13.3
284.04678	4.3
284.99960	2.8
291.95355	3.9
291.98318	3.9
292.07877	4.1
292.98364	10.3
298.06360	2.3
301.01114	4.8
302.01212	5.5
303.00784	6.1
310.46188	4.8
310.96094	10.1
311.46146	3.5
315.95587	3.5
316.07532	20.0
316.98798	2.9
319.96524	5.4
322.46857	3.1
333.96423	7.2
334.96024	2.6
339.08902	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	315.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
56.96554	0.7
57.65312	0.5
67.05505	0.9
67.07711	0.6
69.03424	1.1
69.07056	1.3
69.38972	5.1
69.39381	0.9
73.26765	0.6
79.05481	1.1
81.07036	2.3
83.08640	0.6
85.02908	0.7
91.05473	2.3
93.07034	1.5
95.04942	1.4
95.08614	1.5
97.06527	1.1
98.20718	1.0
103.05467	1.2
104.83349	0.7
105.07003	2.4
107.04922	1.9
107.08589	1.3
109.10162	0.9
111.04449	0.6
111.58170	0.7
115.05468	3.1
116.06223	2.4
117.07031	1.1
119.08564	1.2
119.24699	0.6
121.06481	0.9
121.10177	0.7
123.04443	1.1
128.06258	1.0
129.07002	2.7
131.04912	1.4
131.08499	1.4
134.99612	0.8
135.04422	0.6
137.05995	1.3
139.05450	1.1
140.06210	1.4
141.06989	2.6
143.07285	0.9
143.08592	0.6
144.05688	2.7
144.08067	1.6
145.10101	1.2
152.06235	0.8
153.05513	0.6
153.06999	1.2
155.04918	0.7
156.08083	6.1
157.06509	2.9
157.10216	0.8
159.11679	1.2
161.05994	4.1
163.03935	1.6
163.11214	0.7
165.07043	1.0
166.06602	0.8
166.07814	0.8
167.07153	1.2
168.05704	7.4
169.06488	1.3
170.05989	1.4
170.07272	0.8
172.05164	1.9
172.07574	17.0
173.13197	0.9
177.07114	0.7
181.06520	1.1
183.04439	1.7
184.05090	0.7
184.07605	9.0
185.05959	4.4
185.08313	3.2
186.06767	2.6
186.09074	0.8
194.07320	0.7
195.08078	2.0
198.05435	5.1
199.07545	2.5
199.14951	0.8
200.07063	2.3
200.08493	12.1
201.09109	0.7
208.05231	0.9
211.07414	0.7
212.05362	0.8
212.07060	30.0
213.07845	40.4
214.08487	0.8
222.06912	0.6
223.07529	2.4
229.09718	100.0
230.04359	0.7
230.10028	1.4
237.09152	1.1
240.07692	1.8
251.07001	1.0
255.10226	2.3
265.08624	0.9
269.08026	0.8
271.14392	3.8
273.08591	1.2
273.11258	1.0
283.09628	7.2
297.10965	0.6
315.08609	1.3
315.12527	5.4
315.19598	1.0
315.23093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1338
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
53.03940	1.4
55.01878	1.9
55.05513	1.4
57.03442	1.4
61.93094	0.8
65.03932	2.1
67.05498	4.5
69.03427	2.3
69.07066	2.5
70.06571	1.7
70.23166	2.6
78.04722	1.2
79.05502	6.8
80.04974	1.1
81.03408	3.8
81.07053	3.3
84.08167	1.6
85.02923	2.2
91.05490	8.4
92.06285	1.9
93.07044	3.8
94.06567	6.5
95.04974	4.2
95.08604	1.8
96.08138	3.6
97.02894	1.4
97.06555	1.1
98.97597	2.3
103.05455	2.4
104.04986	10.5
105.07058	3.6
106.06548	5.2
107.04964	7.9
107.07364	1.7
107.08607	1.8
109.02877	3.7
109.06499	1.5
109.10195	1.0
110.05997	1.2
111.04450	1.2
114.06761	0.9
115.05462	2.1
116.98666	1.1
117.06992	1.3
118.06535	5.1
119.04969	2.8
119.07338	7.7
120.05712	1.7
120.08102	2.9
121.02855	1.4
121.06522	1.8
121.10139	2.4
122.06020	8.1
122.09657	1.3
123.04438	2.9
124.03923	1.2
124.07580	10.5
130.06659	1.0
131.04965	3.4
131.08595	1.6
133.06505	1.2
133.10211	1.2
134.06024	1.9
134.99728	1.1
135.04401	1.4
135.11713	0.9
136.07570	1.2
137.05986	2.7
138.05510	2.9
141.07019	0.9
146.03603	0.9
146.06009	3.4
147.04440	3.9
147.06798	9.4
148.07558	4.5
149.06018	1.5
150.05478	4.4
150.09201	1.6
152.07120	4.3
153.01869	1.2
153.05505	2.8
158.09651	1.3
159.08034	1.7
161.05968	7.6
162.05498	2.8
163.03891	6.5
163.07600	1.5
164.07082	3.1
165.05487	1.9
165.08003	1.5
166.08661	3.3
167.07144	2.9
167.08578	1.6
168.06566	21.1
168.07974	1.3
170.08426	1.1
170.75046	0.9
179.07048	3.5
179.08482	1.3
180.06560	18.2
181.04996	1.4
181.06529	1.8
182.09671	1.6
184.11226	1.4
185.10794	2.9
192.06551	37.5
192.10246	1.7
193.07381	4.6
194.08211	7.6
195.02876	7.7
195.08087	1.4
198.09261	1.6
199.08685	2.7
199.12311	2.5
200.10977	1.5
210.07521	1.0
210.09233	2.7
211.10135	1.5
212.09303	2.4
213.10260	12.2
214.11055	3.0
223.07491	1.4
225.10229	1.2
227.11826	8.8
228.12642	3.5
237.08986	1.1
238.08833	1.3
240.08887	1.7
241.09740	36.2
242.10483	3.4
243.11320	2.6
244.13547	2.3
245.13142	1.4
251.07098	1.2
255.11386	17.5
256.11981	2.2
257.08206	2.7
259.14426	4.6
265.08575	2.1
269.12845	4.1
270.11298	1.8
271.10754	1.3
271.14407	1.0
272.11667	1.5
272.18564	1.6
273.12411	9.9
282.08929	1.7
283.09540	5.7
287.13889	15.9
297.07428	1.8
297.12335	3.2
298.10425	1.6
299.10226	4.0
300.11053	27.2
315.13354	100.0
316.13666	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	315.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55081	1.5
55.05502	2.2
56.96564	18.2
57.03422	1.4
59.06118	1.6
60.96982	1.3
65.03947	3.7
67.05503	3.7
69.03428	7.1
70.06598	3.9
70.98138	2.4
70.99583	7.4
71.58158	1.9
72.35100	1.5
73.02924	2.2
79.05503	5.2
80.05004	3.2
81.03432	3.1
81.04538	25.3
81.07036	1.7
83.04990	2.1
84.04493	2.6
84.08153	4.2
84.96046	1.8
85.01112	2.6
85.02908	7.1
85.06563	2.0
89.03931	5.2
91.05505	1.9
94.06545	2.3
95.04955	1.9
95.06107	1.6
96.05656	1.8
97.02892	4.8
98.06069	2.0
98.97568	11.4
99.02680	4.3
99.04454	1.8
106.06547	4.9
107.04974	3.9
108.08119	17.5
109.07778	2.3
109.08453	12.5
110.06069	1.7
110.97504	1.6
116.07099	5.4
116.98615	9.9
116.99923	1.8
117.03391	4.4
118.06551	8.1
119.01901	2.5
119.07330	27.3
120.04452	2.4
120.08152	1.6
121.06414	2.0
122.06175	3.6
122.07145	100.0
123.04420	1.5
123.07924	6.8
124.07565	2.8
127.03905	2.2
128.98615	3.6
129.10249	1.6
131.00145	1.6
131.01627	13.9
134.06010	18.0
134.99661	10.2
135.04555	9.0
135.05556	4.6
135.06783	21.3
136.07573	32.6
136.08559	2.6
137.05948	1.8
137.08063	8.4
138.05566	2.4
138.06641	7.0
139.09784	35.0
140.08180	3.9
143.00162	3.7
145.02867	3.0
146.21185	1.4
146.99664	5.5
149.01146	2.2
150.05489	3.0
151.40952	1.5
152.05664	4.8
152.07066	9.2
153.00729	2.7
153.06593	10.4
153.07486	6.7
154.04977	9.8
154.08633	14.0
156.04874	1.5
159.03267	3.0
160.08636	1.7
161.01219	5.2
161.03050	1.4
163.03905	27.1
164.07092	4.4
165.00685	2.7
167.09328	13.3
172.02843	3.4
173.01221	1.9
174.10320	1.7
176.07083	3.2
177.00760	4.1
177.04312	2.3
179.02254	1.9
179.05113	15.7
180.05905	2.1
183.05882	6.0
189.00717	3.2
190.03915	7.4
191.12874	1.8
192.05910	9.5
203.05211	1.5
207.08038	3.5
208.04956	4.0
210.06961	37.9
219.01790	3.1
220.07791	21.4
221.08507	2.0
223.01263	1.6
227.13971	1.6
232.04913	4.6
232.62354	1.7
233.08626	2.4
234.07103	2.1
235.07494	2.0
237.02928	5.1
249.02805	2.6
249.13503	2.1
251.09602	64.0
251.14934	2.4
252.10124	6.8
254.11795	5.2
256.09680	2.5
267.04050	1.9
269.10455	23.6
269.13049	11.0
270.11215	10.6
270.96014	2.4
297.10519	2.3
298.10745	5.4
315.07254	2.0
315.12469	25.5
316.07245	6.5
316.10849	1.7
316.13995	13.3
333.08505	3.9
334.08130	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Nepetoidin B
Peak:m/z	Relative Intensity
50.33918	0.2
51.02361	0.2
53.03946	0.8
55.01860	0.2
55.05495	0.4
59.81550	0.1
65.03944	0.8
67.05476	0.3
69.03428	5.4
69.07058	0.3
71.59054	0.2
76.09010	0.1
77.03931	0.3
79.05487	4.8
81.03389	0.2
81.07037	0.6
83.08580	0.2
84.95982	0.1
89.03918	1.6
91.05472	0.5
93.07037	0.3
95.01328	0.6
95.04962	2.0
95.08579	0.2
97.12971	0.2
99.04459	0.2
103.05466	0.2
105.03382	1.5
105.04449	0.3
105.07002	0.3
107.04955	4.3
107.08571	0.3
109.02884	0.1
109.06532	0.2
109.10172	0.2
117.03358	0.3
119.08583	0.3
121.06551	0.2
121.10176	0.2
123.04404	0.4
131.04942	0.2
133.02831	0.2
133.06461	0.2
133.09996	0.2
135.04399	1.4
137.05978	0.4
145.02846	2.5
146.03610	0.3
147.04451	0.2
151.03836	0.3
161.02345	4.5
161.05995	0.6
163.03900	100.0
164.04214	1.0
165.06940	0.2
181.04956	25.7
182.05310	0.4
191.03389	0.5
195.08122	0.6
208.05247	0.3
223.07579	0.5
225.05560	0.2
225.35805	0.2
237.08989	0.2
240.07825	0.2
255.10271	0.4
265.08673	0.2
269.08020	0.4
273.07672	0.3
283.09717	1.2
297.07574	22.1
298.07919	0.3
315.08664	6.3
315.12598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01858	3.1
55.05262	1.2
55.05507	12.5
56.05033	9.8
57.03431	2.0
58.06593	2.1
65.03925	1.2
67.05174	1.5
67.05502	19.7
67.46366	0.9
68.05019	2.0
69.03436	10.5
69.07064	8.9
70.06583	6.5
70.65677	2.8
71.05010	6.7
72.04489	1.2
73.39614	0.8
74.06068	1.0
79.05061	1.2
79.05492	15.4
80.05005	2.8
81.03414	11.5
81.07053	29.0
82.06567	3.0
83.04976	8.4
83.08607	6.6
83.79096	0.8
84.04501	17.5
84.08125	3.7
85.02903	4.5
85.06529	3.6
86.06063	60.2
87.04465	48.4
91.05473	12.2
93.07043	17.5
94.06565	2.6
95.04973	5.3
95.08608	14.2
96.04488	1.4
96.08134	5.9
97.02892	1.1
97.06524	14.5
97.10150	3.8
98.06043	13.7
98.21460	1.1
100.11293	1.3
102.05548	8.3
104.07114	11.0
105.07022	10.2
106.06532	0.9
107.04941	2.4
107.08578	7.7
108.08099	1.7
109.06515	2.5
109.10136	2.3
110.06038	3.9
110.09676	1.9
111.08077	2.8
112.07617	15.5
114.05585	1.0
114.09229	1.1
117.07019	1.9
119.08598	6.2
121.06471	1.4
121.10144	5.9
122.06059	1.2
122.09641	1.1
123.08065	3.0
123.11686	1.4
124.07607	6.7
125.09637	2.1
126.05548	1.2
126.09158	2.2
128.07033	0.9
129.06998	2.1
130.98021	0.9
131.08577	5.9
133.10130	3.6
135.08057	2.2
135.09308	0.8
135.11667	3.0
137.09683	0.9
138.09160	2.1
138.12782	3.1
140.07045	3.6
142.07681	1.1
142.08653	7.0
147.08032	1.4
147.11682	7.0
148.07558	2.6
149.09610	24.1
149.13239	2.5
152.07098	1.4
156.10173	1.6
157.10094	3.2
158.08150	8.6
159.11684	2.7
165.12801	4.3
166.04953	1.0
166.08638	1.1
166.12259	3.3
175.11198	3.6
177.12766	3.3
182.15460	4.4
184.13281	4.9
192.13812	1.7
193.12212	14.4
194.15431	2.3
195.13841	6.7
210.14876	15.1
211.13298	18.6
212.16501	4.2
213.14874	3.1
228.15912	6.8
230.17453	1.5
232.13327	1.7
232.16969	1.0
250.18039	3.8
260.16483	6.5
268.19128	3.0
270.17014	21.3
278.17477	11.0
286.16397	2.2
286.19910	1.3
296.18539	9.5
314.19604	100.0
315.05011	0.9
315.19882	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	314.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56591	3.2
55.01856	4.3
61.05618	2.6
67.50066	2.5
69.99023	15.2
70.06593	5.6
79.05476	8.2
91.05485	5.4
91.73363	2.9
95.04987	4.2
98.20802	2.7
103.05457	11.0
105.07030	45.3
106.15557	3.2
107.04971	4.8
108.04481	8.5
115.05482	10.1
118.04169	3.4
123.04414	8.7
124.07632	3.1
133.06494	53.3
135.04466	4.8
136.06175	4.0
143.05995	3.5
152.07054	4.0
153.05408	6.6
161.05960	100.0
162.06367	4.0
163.03908	13.7
165.05452	3.0
168.06563	7.7
186.28938	2.8
193.08612	44.3
217.75432	2.8
251.99713	2.8
270.43756	2.9
296.18552	4.2
314.12033	5.2
314.19717	7.3
315.08463	4.1
315.14108	5.5
328.56784	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25203	1.2
55.05511	13.6
57.03194	2.1
57.03439	27.4
57.07076	80.5
67.05504	16.9
69.07069	15.6
69.59542	2.5
69.59938	8.8
71.04977	1.5
71.08633	53.6
81.07054	18.9
83.08619	16.2
83.81514	1.3
85.09717	2.2
85.10184	28.3
87.44218	1.3
89.06027	4.6
93.07073	1.7
95.08613	28.1
97.10178	8.5
99.11729	2.7
103.07578	3.3
109.10146	15.0
121.10199	1.3
123.11701	4.7
137.13243	3.7
143.04724	1.3
161.03995	1.3
203.68544	1.4
239.23697	5.3
257.24710	9.1
261.72906	1.5
302.14978	1.3
313.27362	100.0
314.27707	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.3
57.03439	25.9
57.07076	73.5
60.46069	0.8
67.05165	1.3
67.05502	13.3
69.07066	12.4
69.42957	8.9
70.47950	1.0
71.08632	47.7
81.07053	20.4
83.04958	1.5
83.08142	1.2
83.08619	16.7
85.06506	1.2
85.10181	23.6
87.29159	0.9
87.98444	0.9
89.03619	0.8
89.06026	3.5
93.07002	1.1
95.08602	28.0
97.10184	6.1
99.11732	1.8
103.07573	2.9
107.08616	1.1
109.10147	11.4
111.11707	2.3
113.13208	1.3
117.09084	1.2
123.11697	7.2
125.13306	1.7
127.20328	0.9
137.13271	2.0
139.11128	0.9
180.81551	1.0
239.23734	5.2
257.24738	8.0
275.25900	1.6
313.27356	100.0
314.27646	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50956	1.0
55.05512	10.6
57.03158	1.2
57.03436	27.5
57.07075	79.6
60.47759	1.0
61.84636	0.9
67.05504	16.1
69.07066	14.6
70.77747	2.5
71.08630	55.2
79.05491	1.5
81.07058	20.9
83.08618	17.4
85.10180	28.4
89.06010	4.1
93.07039	1.9
95.08607	33.9
97.10165	8.6
103.07578	3.9
109.10158	14.4
111.11719	1.6
123.11713	6.1
125.13351	1.3
137.13264	3.0
193.17415	1.1
239.23697	4.1
257.24771	8.0
259.75833	1.1
294.85565	1.2
313.27362	100.0
314.27744	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03964	13.1
55.01868	35.8
55.05508	69.9
57.03432	7.2
57.07071	34.9
57.37894	7.4
63.81801	8.9
65.03919	13.0
67.05502	98.8
69.07072	66.9
69.47807	36.0
69.48222	29.6
71.04979	16.7
71.08633	22.0
79.05502	36.5
81.03419	15.1
81.07054	100.0
81.91068	7.6
83.04963	21.2
83.08622	28.6
85.10191	16.5
91.05466	70.1
93.07058	73.4
95.04961	10.7
95.08610	68.0
97.06537	21.0
97.10172	32.9
103.05470	8.4
105.07051	24.7
107.08589	37.7
109.06505	24.1
109.10149	52.9
111.08079	9.5
115.92472	7.9
119.08599	28.2
121.06492	82.5
121.10140	32.6
123.08080	33.9
125.09649	33.2
129.07057	9.4
131.08565	12.2
133.06511	17.0
133.10138	22.6
135.11731	23.5
137.09601	9.8
139.11192	44.9
142.07745	9.3
143.08549	9.6
145.10130	12.2
147.11671	12.5
149.06004	92.2
151.11191	12.6
157.10240	12.5
173.11722	9.7
185.13300	12.4
189.11223	16.6
224.03737	9.4
239.11475	9.3
259.20569	10.8
277.21643	51.6
295.22833	37.1
313.21759	13.5
313.27319	25.6
314.21252	10.5
324.37735	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	313.237
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.84620	14.1
62.11961	17.7
67.05484	25.6
71.32598	32.5
79.05506	21.5
79.39889	16.9
81.07066	46.2
95.04930	21.9
95.08628	22.9
105.07005	17.0
109.10124	19.7
118.31154	15.0
121.20673	15.9
191.00369	14.6
226.31841	16.6
231.59706	16.1
277.21564	42.3
279.40549	15.0
282.99832	17.4
295.22604	100.0
316.34811	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	313.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
65.03940	2.5
71.20037	2.5
91.05484	21.6
93.07047	6.9
95.04952	2.7
96.59265	1.0
100.33868	1.0
103.05488	1.7
105.06999	2.0
109.06512	9.0
119.06042	1.4
123.08092	1.7
133.06497	13.0
133.07462	1.6
139.07588	1.9
149.05986	100.0
185.11282	1.0
211.93602	1.0
213.68222	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Nordentatin
Peak:m/z	Relative Intensity
55.01865	3.6
55.05520	0.5
56.96574	0.3
57.07113	0.3
59.05009	0.8
65.03952	0.6
67.05492	2.1
67.97964	0.3
68.74821	0.3
68.99799	1.1
69.03439	0.8
69.07059	2.0
69.64602	1.4
69.65031	0.7
71.08644	0.5
79.05479	1.8
81.07063	1.0
83.01357	0.8
91.05479	2.4
93.07065	0.9
95.04964	3.1
95.08598	0.5
97.02881	1.5
97.10168	0.3
103.05508	0.3
105.03400	0.5
105.07042	0.9
107.04955	3.1
107.08611	0.4
115.03972	0.4
115.05505	0.5
115.86301	0.3
116.98612	0.5
117.07005	0.4
119.04946	0.7
119.08591	0.5
121.02896	0.7
121.06523	0.4
121.10147	0.4
123.04426	11.4
123.05335	0.6
124.04797	0.4
125.76916	0.3
129.06999	0.7
131.04890	0.6
131.08591	0.6
133.06511	0.5
133.10135	0.6
134.99718	0.5
135.04422	4.1
136.04825	0.3
136.30867	0.3
137.02338	0.4
141.06976	0.7
143.08585	0.5
145.06461	0.7
147.04407	6.3
149.05997	0.7
153.07050	0.9
154.07820	0.3
155.08618	1.4
155.25877	0.3
157.06493	1.0
159.08095	0.8
160.05206	0.5
161.05980	3.4
161.09621	0.3
165.05569	0.7
165.07030	3.3
168.05806	0.4
169.06462	0.5
171.08086	0.4
173.05980	4.3
173.09650	0.4
175.03999	0.4
175.07562	0.8
179.10713	0.8
181.06505	0.3
183.08017	2.5
185.05966	1.0
186.06792	0.3
187.03893	1.8
187.07550	1.3
197.06059	1.5
198.06686	0.3
201.05434	0.5
201.09099	1.3
203.07024	1.9
209.11453	0.6
210.06886	0.4
211.07536	5.6
212.08185	0.4
213.05528	0.4
213.09058	0.7
214.06248	0.9
215.07076	1.8
224.18355	0.3
227.06790	0.5
229.08617	1.7
239.07021	15.5
240.07643	1.2
242.05740	1.2
245.08011	0.7
257.08072	100.0
258.08459	4.0
298.11536	0.7
305.29807	0.3
313.14273	19.0
314.14578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.143
Annotation	4'-Prenyloxyresveratrol
Peak:m/z	Relative Intensity
53.03946	1.1
55.01864	2.3
55.05501	1.9
56.96561	2.7
57.03445	1.4
57.07072	1.4
58.57617	0.8
65.03934	1.5
67.01860	0.8
67.05504	4.5
68.99784	4.5
69.03423	1.3
69.07068	34.3
71.58821	0.9
71.59232	1.1
79.05487	1.6
81.03402	2.2
81.07047	3.0
83.08594	1.0
85.02896	1.2
85.93219	0.7
91.05476	6.2
93.07030	2.3
95.04968	6.0
95.08596	1.4
97.02840	1.0
98.97561	1.7
105.03381	1.1
105.07025	1.4
107.04951	9.7
107.08619	1.0
109.06564	1.3
109.10162	1.2
111.04423	1.7
115.05444	0.8
116.98615	1.4
119.04945	7.5
119.08575	1.3
121.02838	1.0
121.06500	2.3
121.10094	1.0
123.04427	100.0
124.04766	1.7
129.06987	1.1
131.04916	1.0
131.08588	1.0
133.06491	1.6
133.10063	0.9
134.99614	1.9
135.04416	11.1
137.02336	1.6
137.05971	14.7
143.08569	0.9
145.06453	1.3
145.10138	1.0
146.99739	1.0
147.04408	52.8
148.05153	3.0
149.05983	3.2
151.07521	2.0
154.30206	0.8
154.49124	0.7
157.06491	1.4
160.05179	1.5
161.05977	13.3
163.03874	7.0
163.07524	1.5
165.05495	5.7
165.07019	2.6
165.09119	2.2
168.05748	0.9
169.06474	0.9
173.05963	2.1
175.07565	1.5
175.11134	0.9
177.09108	2.8
181.06505	0.9
183.07983	2.7
186.06723	0.9
187.07553	5.1
188.08330	0.9
189.09100	3.6
191.10699	6.4
197.06007	2.0
201.09140	1.3
203.10677	10.6
211.07524	9.9
214.06161	1.1
215.07050	2.4
221.11845	3.6
226.06241	1.0
227.06972	2.3
229.08582	12.5
237.02711	1.3
239.07047	4.9
242.05719	1.7
244.07161	1.2
245.08026	3.1
253.08478	1.1
257.08081	64.9
258.08438	1.8
271.12134	0.9
285.10944	0.8
295.13269	1.5
299.25778	0.8
313.10925	2.7
313.14288	53.1
314.14520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1179
Annotation	Dictyoquinazol A
Peak:m/z	Relative Intensity
55.01855	1.0
55.05495	1.1
55.84647	0.7
56.05035	1.2
56.96544	0.8
57.03428	0.9
60.64839	0.6
67.05493	1.4
68.05019	1.3
70.25576	1.5
70.25975	1.8
70.35929	0.8
71.08601	0.8
73.08194	0.8
79.05498	1.1
80.05012	2.2
81.03405	2.1
81.07037	2.9
82.06508	1.0
91.05482	6.2
92.05000	0.9
92.05798	1.9
93.07063	1.9
94.06549	1.2
95.04942	1.0
95.08630	0.7
96.04512	0.7
105.06960	1.0
106.06533	2.2
108.04479	1.7
109.02847	1.0
109.10158	1.1
115.05472	1.4
117.06967	1.1
118.06541	15.0
119.04923	1.8
119.08524	0.9
121.10128	1.3
123.04399	1.3
126.05511	2.8
128.06224	2.9
129.06999	22.7
130.06514	4.9
130.07384	1.3
137.05991	5.0
138.05432	5.0
138.06345	2.4
142.06508	1.9
143.07317	2.4
143.08492	1.8
144.08072	12.7
146.06007	35.6
151.03873	1.6
154.06532	7.3
155.07236	2.2
156.08086	100.0
157.08443	2.4
158.04561	1.1
158.09662	0.8
167.07301	2.5
168.06683	0.9
168.08080	14.9
169.08803	1.0
170.05960	4.0
170.09647	9.8
176.14384	3.8
177.14716	5.2
180.08032	3.9
182.04503	1.8
182.09636	2.2
184.06070	1.3
188.07060	46.7
189.07396	1.2
194.09714	4.3
195.09123	1.2
196.07623	1.5
196.11285	1.7
200.07021	5.3
214.08621	7.1
221.10684	1.2
222.09271	1.5
223.08754	1.6
223.12302	2.3
225.13898	3.1
240.10173	2.0
241.09776	2.2
253.08751	1.1
255.06461	1.2
267.11276	6.3
269.12820	8.5
271.06113	1.4
285.11975	1.5
295.10831	7.1
298.08374	0.7
313.11795	72.4
313.19601	10.0
313.27701	0.9
314.12088	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	312.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.5
56.05038	0.6
57.03427	0.5
57.07051	0.5
68.05014	1.5
69.07054	1.2
69.59212	2.7
69.59634	1.1
70.06576	1.7
71.04991	19.5
76.39605	0.5
79.05486	2.1
80.05002	2.0
81.03402	0.8
81.07040	1.6
82.06565	1.7
83.08620	0.9
91.05477	1.3
93.07065	3.0
94.06561	1.1
95.07315	0.6
95.08590	1.1
96.08100	2.2
98.06024	1.2
98.09690	0.6
98.21509	0.5
99.04453	7.6
103.59225	0.5
105.07066	0.8
107.08557	2.4
108.08105	9.4
109.08866	1.1
109.10130	0.6
110.09667	3.6
112.98165	0.5
114.05510	0.5
116.07140	0.9
117.05483	0.6
121.10168	0.8
122.09669	5.4
123.10470	2.5
124.11210	1.5
126.05528	1.3
127.29050	0.5
128.07019	0.6
133.10121	0.6
135.11699	3.1
136.11209	1.4
150.11639	0.8
150.12772	11.6
151.13548	2.8
152.14336	31.3
153.14711	0.7
154.15816	0.5
166.08644	0.9
186.02211	3.2
190.00702	0.9
196.09685	2.0
196.16936	1.1
208.13298	1.9
214.14392	0.9
226.14397	0.5
238.14336	3.2
250.18062	0.9
268.15472	17.4
268.19028	100.0
269.15753	0.8
269.19354	2.4
270.20624	0.7
311.90314	0.5
312.18018	8.1
312.21613	63.6
313.06784	0.6
313.22015	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	312.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01865	3.1
55.05513	13.1
57.03431	4.8
57.07069	4.2
59.04996	1.3
67.05504	61.7
69.03432	4.0
69.07066	8.8
70.06589	4.9
70.71597	4.4
71.04989	5.1
71.08619	1.3
74.02443	10.4
79.05056	2.4
79.05492	26.3
81.03421	2.2
81.07057	43.3
82.07396	1.7
83.04970	3.1
83.08624	4.1
84.04504	1.6
86.06060	2.1
88.03988	12.7
91.05478	18.1
93.07040	27.4
95.04963	13.0
95.08604	100.0
96.08121	2.4
96.08933	1.8
97.02917	1.4
97.06550	1.4
98.06059	4.1
105.07030	17.4
107.05003	2.3
107.08607	15.9
109.06516	4.6
109.10155	48.6
114.00503	1.5
116.03452	6.2
116.07098	6.1
117.07000	3.1
119.08579	28.9
121.10137	6.0
123.08084	6.0
123.11739	1.8
125.09683	1.8
129.06953	1.3
133.10136	3.9
134.04482	23.8
134.08107	3.8
135.08054	2.0
135.11726	7.3
137.05965	3.4
137.09630	10.3
142.08607	6.4
146.05998	2.9
149.13263	2.6
151.03856	1.5
151.14815	25.0
156.08078	5.2
161.13226	7.8
163.07498	2.0
170.11682	1.6
179.12833	1.4
179.14311	17.3
188.07050	4.7
191.06975	2.3
196.13281	2.5
214.14412	1.8
223.04196	2.5
224.03275	1.4
248.16426	1.6
250.06110	1.4
264.11966	1.3
266.17569	7.7
294.17252	1.9
294.24835	1.6
312.09052	2.3
312.18036	10.4
312.21692	6.5
312.32712	1.8
313.11215	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	312.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01876	1.3
55.05512	3.2
56.05041	0.9
57.07068	0.7
62.95267	0.4
65.11900	0.4
67.05495	1.3
67.34740	0.4
68.05021	1.9
68.96922	0.4
69.07065	3.0
70.02942	0.7
70.06603	1.6
70.65454	1.1
71.04992	21.1
79.05489	4.4
80.05032	3.1
81.03436	1.1
81.07060	3.9
82.06596	2.7
83.08601	1.7
84.08129	1.0
85.14989	0.4
87.04459	0.6
88.03976	2.5
89.95969	0.4
91.05486	2.1
92.05112	0.4
93.05808	0.6
93.07044	8.7
94.06564	2.4
95.04957	0.8
95.07346	1.0
95.08618	2.1
96.04509	1.2
96.08134	1.8
98.06061	1.8
98.09663	0.6
99.04458	7.3
100.03983	1.4
104.25169	0.4
105.07015	1.2
106.06572	0.6
107.08586	4.3
108.08114	30.0
109.08926	2.6
109.10151	1.3
110.09686	4.9
110.12073	0.5
116.03428	0.9
116.07121	1.1
117.05490	0.8
118.50542	0.4
119.08579	0.9
120.08063	0.6
121.10142	0.8
122.09667	17.0
123.10467	4.2
123.11361	0.5
123.11726	0.5
124.03915	0.5
124.07571	0.9
124.11238	0.9
126.05515	2.1
127.91473	0.5
128.03453	1.0
128.07054	0.7
133.10127	1.1
134.09677	0.9
135.11703	6.0
136.07655	1.1
136.11198	5.6
136.12033	0.6
137.06024	0.6
142.08620	0.6
144.06557	0.8
148.11234	0.5
150.12778	29.7
151.13568	10.8
152.07066	0.9
152.14337	32.4
154.08688	0.8
154.15843	0.5
162.12804	2.1
164.14308	0.7
165.07841	0.7
166.08598	1.4
166.12256	0.6
169.09703	0.4
176.14336	0.7
178.15955	2.6
178.46559	0.5
179.08163	0.7
180.10295	0.7
182.08018	0.6
184.78223	0.5
186.02193	1.2
186.07718	0.5
190.12326	0.7
190.31680	0.4
194.11786	1.8
196.06120	2.4
196.09732	3.9
196.17023	1.3
197.09337	0.5
208.13324	5.0
209.13760	0.5
214.14371	0.6
222.14883	2.6
224.09183	1.3
224.12794	0.8
238.10733	3.2
238.14426	2.1
248.10295	0.7
250.14436	0.9
266.13968	1.0
268.15488	84.0
268.19089	100.0
269.15952	3.4
269.19016	2.8
270.16901	3.0
294.20844	0.6
312.18054	51.6
312.21719	72.5
313.18381	2.6
313.22012	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	312.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19881	0.4
55.05523	1.5
56.96543	0.6
57.03440	0.8
60.12918	0.5
67.05501	0.9
69.03453	0.7
69.07079	1.5
69.61000	2.4
69.61410	1.4
70.02980	0.9
74.02454	0.5
75.80064	0.4
75.96931	0.5
79.05483	2.6
80.05045	0.7
81.07070	2.2
82.06586	0.7
85.02926	0.5
86.02414	0.6
88.03998	3.4
91.05490	2.3
93.07047	6.2
94.06548	1.1
95.04980	0.8
95.08643	1.5
96.08150	0.7
97.02884	0.9
100.03989	0.7
105.07053	1.7
107.07373	0.7
107.08597	3.6
108.08118	26.2
109.08397	1.2
109.10173	0.6
110.09694	1.5
110.20943	0.5
116.03473	1.3
116.94809	0.5
119.08568	1.4
121.08865	0.6
122.09673	14.0
123.10450	1.6
123.11733	0.6
128.03464	1.0
133.04950	0.8
133.10094	0.8
134.09656	0.5
135.11688	5.3
136.11185	4.4
148.11235	0.8
150.12775	27.1
151.13565	11.1
152.07101	0.9
152.14314	0.7
153.12753	0.7
154.08574	0.6
161.13222	0.9
162.12782	1.3
164.14330	1.3
165.07848	1.1
166.08620	1.6
166.12294	1.0
176.14316	0.6
178.15927	1.7
179.14267	0.6
180.10245	1.5
190.12231	0.6
194.11729	2.3
196.06044	1.6
208.13333	3.9
209.13687	1.3
210.07619	0.6
210.14961	0.7
214.10710	1.2
222.14906	2.1
224.09100	0.8
224.16368	0.6
224.18320	0.9
238.10712	2.8
239.11504	0.8
250.14375	1.2
266.13837	1.3
266.29013	0.5
268.15399	100.0
269.15686	3.3
270.16995	5.5
285.03903	0.6
312.17978	41.4
313.18307	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02806	2.6
53.03937	3.6
55.01872	8.0
55.52004	2.4
56.96555	3.0
57.03432	6.0
60.04538	3.2
61.02915	9.5
69.03429	32.5
69.07059	9.3
71.05014	3.1
71.59042	5.2
73.02924	4.8
81.03417	11.4
84.08162	4.9
84.36827	2.8
85.02908	100.0
87.04468	9.2
87.08104	16.8
91.03948	5.7
93.07030	3.2
97.02889	27.9
105.06995	3.7
107.04922	3.7
108.41299	3.0
109.02865	12.0
115.03906	5.1
116.60719	3.0
122.06013	8.0
123.04432	5.8
127.03919	20.9
133.04959	7.6
137.05887	3.1
138.05428	4.1
139.03862	4.1
145.04961	36.5
150.05502	12.6
151.03807	4.0
155.17462	3.0
163.03896	3.8
163.05997	6.5
167.07071	3.2
181.04877	5.2
186.02179	10.8
188.93265	3.0
197.35583	2.8
210.05801	5.6
223.04108	7.2
225.05820	4.8
235.05986	7.0
247.06044	6.4
259.06113	3.2
267.06552	4.9
285.07642	4.9
295.06061	4.5
312.08813	5.3
312.18118	4.0
312.32703	4.8
313.06973	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	312.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
53.16946	2.9
55.01858	4.4
55.05507	17.4
57.03439	29.2
57.07073	3.4
59.04985	4.1
60.04521	19.5
67.05505	73.8
69.03433	68.3
69.07056	12.0
70.06591	6.8
71.01355	3.5
71.04988	6.5
71.10641	5.5
72.04506	2.8
73.02913	3.0
74.02428	10.4
75.04470	3.5
79.05496	30.5
81.03442	6.1
81.07062	57.5
83.04970	4.7
83.08613	2.8
84.04503	3.7
85.02907	46.4
85.06556	3.9
87.04469	45.2
88.03982	9.8
91.05484	22.6
93.07050	31.2
95.04989	16.7
95.08610	100.0
96.08927	4.5
97.02886	52.4
98.06086	3.8
105.07040	19.2
107.04964	6.1
107.08555	15.5
109.02851	3.4
109.06512	6.7
109.10160	56.4
111.08086	4.4
112.23814	2.5
115.03935	60.9
116.03457	5.5
116.07098	6.4
119.08566	30.6
121.10123	9.2
122.09690	3.2
123.08072	5.5
123.11729	4.4
126.05468	5.5
127.03907	8.9
133.04967	76.5
133.05992	4.7
133.10101	6.7
134.04518	23.7
135.11685	8.6
137.09605	8.2
144.06543	12.8
145.04941	5.2
150.07617	31.3
151.03874	3.8
151.14844	22.5
161.13248	5.3
162.07628	22.8
170.11838	4.1
179.14333	19.0
180.08673	11.1
196.13316	7.9
204.08704	4.1
214.14354	4.5
220.08347	2.8
260.54636	2.7
271.03174	3.4
271.06009	3.0
294.11722	2.7
312.12845	7.7
312.17947	12.9
312.21671	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	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46034	4.4
55.01863	15.6
55.05503	17.7
57.07078	16.8
67.05503	41.0
67.39913	4.7
69.07058	36.8
69.42331	17.9
69.42761	28.4
71.05000	6.5
71.08632	100.0
77.23740	4.5
79.05496	21.6
81.07062	49.4
81.97306	4.4
83.04985	11.9
83.08620	18.7
91.05478	15.7
93.07038	29.6
95.08596	41.2
97.10147	13.4
99.08089	72.9
105.07018	13.6
107.08599	14.3
109.10136	18.9
115.35326	5.8
119.08584	12.6
121.10139	18.0
123.08073	5.1
123.11688	8.0
127.11243	7.2
131.08578	12.3
133.10107	5.5
135.11700	18.0
137.13228	5.6
143.10817	5.0
145.10112	9.8
147.11673	36.6
149.13216	8.6
153.12753	16.9
163.11209	10.1
163.14841	10.4
165.12712	11.4
171.89699	4.7
181.15811	6.9
209.11816	10.2
237.11269	13.7
243.21082	18.2
251.54938	5.3
261.22110	24.1
272.07339	4.6
279.23206	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	311.2578
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03939	1.7
55.01857	2.9
55.05510	78.2
57.03436	30.5
57.07073	37.7
66.24773	1.0
67.05231	0.8
67.05508	10.1
69.07067	85.2
69.55518	9.2
71.04988	1.1
71.08289	1.5
71.08634	21.1
72.06461	1.0
73.02908	1.8
79.05494	8.8
81.07053	14.5
83.04968	2.7
83.08618	66.6
84.08931	1.3
85.10181	9.5
93.07051	8.2
95.08603	12.8
97.06532	8.1
97.10168	51.0
98.20808	2.0
101.05960	1.4
107.08630	5.1
109.10155	4.3
111.08099	2.9
111.11724	15.6
121.10144	9.0
123.11695	2.5
125.09657	2.5
125.13239	4.1
129.05515	1.7
135.11696	6.3
139.11136	1.8
139.14780	1.0
149.13187	2.5
153.12749	1.1
163.14804	2.0
167.14491	1.3
177.16418	1.3
219.21007	1.9
237.22058	1.5
311.25803	100.0
312.26123	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	311.2215
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	4.3
55.01873	23.3
55.05510	91.1
57.03437	31.2
57.07071	44.5
67.05502	45.0
68.55739	2.7
68.56145	2.7
69.07068	93.9
71.04962	3.6
71.08590	29.9
73.02909	3.5
73.38183	2.6
79.05502	18.8
81.03430	6.8
81.07054	37.0
81.37300	2.7
83.04983	8.4
83.08147	4.7
83.08621	77.0
85.10176	6.9
91.05473	17.7
93.07046	29.8
95.04959	11.5
95.08607	36.8
97.06538	8.2
97.10169	47.7
105.07018	10.4
107.04928	10.9
107.07883	2.9
107.08590	12.6
109.06527	6.8
109.10166	15.2
111.04417	3.1
111.08076	4.5
111.11723	17.8
117.07001	5.6
119.08564	10.2
120.61810	2.8
121.06529	5.5
121.10124	17.5
123.08092	3.7
123.11681	3.1
125.09606	26.5
131.08565	5.3
133.10129	6.9
135.08070	7.7
135.11714	9.1
137.09607	13.4
139.11189	6.2
145.10112	5.5
149.09677	4.5
149.13268	4.9
151.11194	12.4
153.05359	2.7
153.12706	3.7
163.11172	4.5
165.12732	2.8
166.23636	2.7
167.10678	7.2
177.12761	8.7
191.14343	4.8
209.11700	4.9
229.19598	3.2
232.22005	2.7
237.11229	4.8
257.19052	5.0
275.19983	17.8
293.21176	13.3
294.21384	3.0
311.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01880	1.3
55.05516	14.0
59.71768	1.4
67.05509	6.7
69.03405	1.4
69.07056	3.2
70.65350	3.0
71.08627	12.0
79.05491	6.0
81.07054	5.9
83.04974	1.1
83.08617	5.3
85.06511	1.1
93.07043	3.7
95.04962	3.2
95.08597	3.7
95.64109	1.2
97.10188	10.4
99.08082	6.4
105.07049	1.9
107.04966	2.4
107.08595	4.6
109.06554	1.5
121.06498	5.9
125.09613	6.0
135.08015	1.6
151.11191	2.0
164.11922	1.4
177.01727	1.3
177.12769	3.0
189.11212	3.6
209.11742	3.0
219.70531	1.4
237.11208	2.7
257.19226	1.3
275.20102	7.0
293.21106	100.0
294.21344	3.4
330.67273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59047	7.0
53.83333	7.1
55.01862	12.0
55.05508	49.3
57.03434	7.5
67.05236	6.6
67.05510	74.4
69.07056	47.9
71.04977	7.9
71.20438	18.4
79.05501	55.8
81.07049	100.0
81.13168	8.3
83.04952	16.9
83.08612	28.3
85.30501	8.8
89.42082	8.3
91.05472	42.6
93.07047	41.9
95.04946	29.8
95.08605	73.8
97.10164	39.7
99.08102	12.4
105.07032	63.7
107.04964	32.1
107.08584	39.5
109.06503	12.6
109.10151	55.3
116.33678	7.7
117.06982	10.9
119.08562	33.1
121.06528	10.4
121.10147	28.0
123.04446	8.2
123.08038	20.2
123.11739	12.3
125.09623	21.4
129.06940	9.3
131.08600	13.9
133.06480	77.8
133.10161	13.8
135.04442	17.3
135.08012	7.8
135.11656	12.1
137.06004	43.1
137.20204	8.7
143.08595	10.8
145.10028	20.2
145.29767	8.2
149.09630	10.5
159.11620	9.4
163.11220	8.5
173.11740	14.9
175.07523	11.1
189.11226	18.4
191.08452	13.3
191.10623	8.1
219.08028	21.1
247.07777	13.2
251.10696	28.3
255.06375	13.0
264.07932	8.4
275.19965	39.7
279.10077	21.5
293.21103	22.9
311.09320	15.8
311.12762	51.9
311.29456	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	311.2214
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
53.03935	2.7
55.01866	1.8
55.05510	8.3
57.07064	3.4
66.01316	1.3
67.05505	7.8
69.07052	4.6
69.51418	11.7
71.08282	1.6
71.08635	15.3
79.05484	5.8
81.03426	1.5
81.07052	8.2
83.04967	2.5
83.08611	4.0
91.05472	9.6
93.07048	10.6
95.04949	8.1
95.08590	7.1
97.06522	1.4
97.10160	5.4
99.08100	7.8
99.20846	1.3
105.07009	4.7
107.04926	4.0
107.08587	5.2
109.06506	1.9
109.10150	3.6
111.04391	1.6
119.08594	3.0
121.06516	15.7
121.10138	2.7
125.09615	3.9
130.60255	1.5
133.06454	1.8
133.10133	2.0
135.08069	1.5
135.11719	1.8
145.10107	1.8
149.05972	69.9
150.06255	2.0
151.11172	1.8
159.11588	1.8
163.11131	1.6
165.12724	5.1
177.12724	2.7
191.10715	1.9
209.11752	5.0
237.11139	3.2
257.18964	1.6
275.20078	7.7
293.21085	100.0
294.21445	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	311.2214
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.05515	39.5
57.07062	20.4
67.05500	100.0
68.89822	11.5
69.07055	22.1
70.14879	50.8
72.21405	11.6
79.05495	36.7
81.07057	41.2
83.04958	19.2
83.08646	19.1
85.44849	11.7
91.05473	17.4
93.01645	13.0
93.07040	39.5
95.04987	31.3
95.08601	57.0
97.10145	19.5
105.07029	41.7
107.08631	16.9
109.10151	46.7
111.04424	14.9
119.08591	15.2
121.10169	22.4
125.09609	15.0
125.25505	12.9
133.06517	59.0
137.09671	24.4
191.10652	16.1
209.11696	54.0
222.06003	12.9
237.11296	45.8
275.19925	23.2
285.12082	12.7
293.21130	28.4
318.97968	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.98449	2.5
53.03933	4.4
55.01868	10.4
55.05511	34.6
57.03436	8.6
57.07069	4.1
59.05002	3.0
65.03931	3.5
67.05511	78.0
69.03415	7.7
69.07077	21.0
70.13300	12.0
71.05009	13.6
71.08636	58.7
77.15996	3.1
79.05495	32.6
81.03413	7.1
81.07066	34.0
83.04988	28.8
83.08604	14.7
85.02905	11.0
89.45368	2.5
91.05473	28.7
93.07045	42.1
95.04395	3.4
95.04973	23.7
95.08615	57.8
97.06527	9.9
97.10168	8.7
98.97606	4.0
99.04484	3.8
99.08105	31.6
102.64925	2.5
105.07033	14.2
107.04942	3.8
107.08607	12.9
109.06540	6.0
109.10160	52.7
111.04444	10.2
111.08083	5.1
113.06020	5.6
116.98647	5.3
117.07023	6.0
119.08604	20.1
121.06565	4.1
121.10159	13.0
123.08100	3.9
125.09598	7.0
127.11192	4.0
131.08553	9.1
132.80243	3.0
133.10136	16.1
135.08054	5.8
135.11710	7.0
137.09647	16.7
139.11183	71.2
141.08969	2.5
143.83855	2.8
145.10100	4.0
147.11699	5.7
149.09673	5.1
149.13268	4.8
151.11179	24.5
155.10693	27.0
156.11038	3.1
159.11719	14.1
161.09630	11.7
163.61642	2.8
165.12753	5.9
167.10680	3.0
173.11815	21.3
177.12749	15.6
179.10677	8.5
191.14314	4.4
195.13768	3.3
229.19472	5.5
236.30344	3.0
237.14795	18.0
255.06500	3.8
257.19043	9.7
275.20078	36.7
293.21118	100.0
311.11859	4.2
311.22165	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03947	4.6
55.01875	17.6
55.05514	35.7
56.96577	5.4
57.03431	5.3
57.07082	3.5
67.05509	39.9
69.03408	6.0
69.07070	42.7
69.85693	9.6
69.86101	7.6
70.04023	2.8
71.04993	11.4
71.08624	6.9
75.34480	2.9
79.05495	40.8
81.03423	13.4
81.07052	51.2
81.13538	3.4
83.04980	27.1
83.08608	17.0
85.02905	6.0
85.06493	3.8
91.05470	20.7
93.07047	49.8
95.04969	84.4
95.08602	34.5
97.06543	13.6
97.10168	12.0
98.20835	4.1
99.04474	8.9
99.08093	7.0
103.05447	3.7
105.07034	20.6
107.01202	3.2
107.04980	9.9
107.08606	28.1
109.06540	9.1
109.10148	16.1
111.04448	32.0
111.08089	7.7
112.45160	2.7
117.07029	10.0
119.08577	17.7
120.52640	2.9
121.06508	10.8
121.10131	21.5
123.04414	5.2
123.07986	3.8
123.11701	4.3
125.09638	9.6
129.07022	3.6
131.08586	14.2
133.10126	12.0
135.08061	20.5
135.11714	9.5
137.09616	5.9
139.11198	8.6
143.08568	3.6
145.10135	12.8
147.11719	5.9
149.09648	12.7
149.13255	8.5
151.11249	4.2
157.10136	3.9
159.11668	14.2
161.09642	5.7
163.11189	12.2
167.10687	3.4
167.14322	7.7
173.13245	4.6
177.12714	13.4
183.11821	3.7
183.13724	3.0
187.11192	3.3
188.25706	3.2
195.13855	7.9
201.12740	6.3
203.12866	8.5
205.12216	3.8
207.13901	4.0
219.13754	5.2
223.13332	4.4
227.02101	3.0
237.14859	82.8
244.10410	3.8
247.20494	3.8
257.19034	6.6
268.38254	2.9
275.20068	62.1
293.21118	100.0
311.22250	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	311.2214
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.06358	2.9
53.99236	2.9
55.01872	7.8
55.05512	30.9
57.03421	6.4
57.07087	4.9
59.04999	4.8
60.08919	3.1
67.05505	82.7
69.03420	11.7
69.07081	15.6
70.13187	15.3
71.04988	11.5
71.08630	60.4
79.05488	28.8
81.03424	11.6
81.07053	28.7
83.04981	31.0
83.08626	13.4
85.02900	10.8
85.06546	4.9
91.05477	24.5
93.07046	33.6
95.04986	14.8
95.08603	68.9
97.06534	6.9
97.10174	7.6
98.20842	4.6
99.04483	3.7
99.08083	41.8
105.07037	16.1
107.08595	12.5
109.06528	4.6
109.10164	54.1
111.08070	6.8
113.06023	3.9
117.07035	8.5
119.08556	22.3
121.10178	8.1
123.08062	7.3
125.09683	3.5
127.11223	6.4
131.08620	7.0
133.10152	11.8
135.11726	5.4
136.97374	2.9
137.09612	21.8
139.11186	64.9
145.10225	3.1
145.23416	3.0
149.09624	5.7
151.11185	35.7
151.58917	3.8
155.10680	43.5
159.11607	6.8
161.09627	13.3
165.12714	5.4
166.03293	3.2
166.48991	3.4
167.10681	4.3
173.11731	25.7
173.13058	4.1
177.12746	15.8
179.10710	6.9
191.14301	5.7
229.19553	4.1
257.18979	14.1
275.20047	37.2
293.21103	100.0
311.22165	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	311.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.1
56.40366	0.7
67.05516	1.6
68.05009	0.9
68.08709	0.6
69.07050	1.5
70.02924	1.4
70.06558	1.5
71.08067	1.6
72.04513	3.5
79.05469	3.0
80.04984	1.8
81.07066	3.3
82.06554	1.5
87.05548	1.3
88.03979	1.2
91.05444	2.5
93.05772	1.4
93.07047	8.1
94.06564	1.2
95.05003	1.2
95.08567	2.6
97.04013	1.4
98.97573	0.8
105.07025	1.9
107.04937	0.9
107.08588	4.1
108.08115	69.2
109.08352	1.2
110.06040	0.7
110.09615	0.8
115.03938	0.7
116.03477	0.7
119.08572	1.8
120.08067	1.9
121.08883	8.5
121.09713	0.9
121.10143	1.0
122.09671	13.3
123.10427	1.5
124.07574	3.0
131.08583	0.8
133.10086	2.4
134.09628	3.1
135.10594	1.0
135.11693	8.9
136.11227	4.8
137.05952	5.7
142.68246	0.7
143.04510	1.3
149.06020	1.3
150.12781	24.6
151.08676	0.8
151.13594	6.4
152.14302	3.9
161.13196	1.2
162.12785	3.1
164.14360	26.8
165.07858	19.9
165.14708	1.4
166.08582	2.8
166.15945	4.0
166.17061	0.7
176.14368	1.0
177.05431	1.1
178.15892	3.1
179.11749	1.3
187.07471	1.0
190.12263	3.2
191.08487	1.5
195.07739	0.9
196.06062	1.1
204.13930	1.0
206.15408	1.6
208.13330	29.2
210.14886	6.4
219.08081	1.3
221.16467	6.4
223.18060	15.0
244.89751	0.7
247.07773	0.9
247.75566	0.9
249.16016	2.7
249.19446	1.1
250.14355	12.7
251.10719	2.2
252.15813	1.3
265.19080	1.3
267.17041	100.0
268.15256	16.9
269.18600	2.3
279.10196	1.7
280.94901	0.9
293.18604	1.3
294.17056	2.9
296.10287	0.7
311.19653	72.0
312.17831	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03943	3.5
55.01868	9.1
55.05266	2.4
55.05511	29.5
57.03430	6.4
57.07070	4.4
59.05000	5.1
67.05504	75.5
69.03426	7.8
69.07057	16.1
70.11668	10.4
71.04987	9.8
71.08631	70.5
78.08164	2.1
78.20693	2.0
79.05491	28.0
81.03416	9.5
81.07057	39.9
83.04981	29.8
83.08624	11.6
85.02915	3.9
85.06541	4.6
91.05476	22.0
93.07037	34.5
95.04967	18.1
95.08607	36.0
95.20446	1.7
97.06538	13.4
97.10175	6.8
98.20828	3.3
99.04474	3.1
99.08092	45.2
105.07041	15.2
107.04954	4.8
107.08592	16.0
109.06503	6.5
109.10159	45.2
111.08092	3.3
113.05998	3.2
117.07019	6.4
119.08587	16.2
121.06509	4.8
121.10138	8.7
123.08063	6.1
123.11732	2.4
125.09647	9.0
127.11150	3.2
131.08577	6.9
133.06491	2.9
133.10124	16.6
135.04471	2.8
135.08034	5.0
135.11702	6.2
137.09601	14.0
139.11171	54.4
141.09071	4.0
141.12738	2.2
141.60280	2.0
143.08548	5.0
145.06419	2.4
147.11690	5.3
149.09631	7.7
149.13281	4.7
149.45242	2.5
151.11195	39.0
153.12762	2.3
155.10654	14.0
159.11691	10.1
161.09618	13.0
163.11217	3.9
165.12823	3.6
167.10727	2.0
173.06009	2.8
173.11795	17.8
173.13164	5.1
177.12747	16.0
179.10693	5.2
181.12288	3.2
189.11166	3.1
191.14322	3.0
195.13824	5.3
205.74843	3.0
206.56319	2.2
220.35217	2.1
229.19577	3.9
241.10809	2.1
247.20622	5.9
251.16362	3.6
255.06435	3.1
256.96976	2.7
257.19025	7.8
275.20081	28.7
276.20493	2.7
293.21112	100.0
294.21158	2.4
303.55948	2.2
311.09515	2.3
311.12860	8.5
311.18890	2.1
311.22095	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	311.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38233	0.5
55.05502	1.6
56.05023	0.6
56.96577	0.6
67.05495	1.6
69.03429	0.7
69.07053	2.1
69.86221	3.3
70.06562	0.9
71.04990	1.0
72.04508	2.9
79.05492	3.1
80.04998	1.5
81.07047	3.2
82.06585	1.2
83.08610	0.7
83.45023	0.5
86.02424	0.7
86.55509	0.5
87.05559	2.1
87.32220	0.5
88.03955	0.7
91.05457	2.3
93.05771	1.0
93.07030	7.6
94.06543	0.7
95.08601	3.0
96.08110	0.9
98.09723	0.6
98.21460	0.7
105.07001	1.7
105.52195	0.6
106.06528	1.1
107.08565	4.3
108.08113	60.4
109.10143	1.1
110.09689	3.1
119.08546	1.8
120.08086	1.8
121.08879	5.6
121.10140	0.9
122.09666	9.9
123.10435	1.5
123.11665	0.8
124.07619	1.4
133.10092	1.0
134.09662	3.7
135.10524	1.3
135.11679	9.3
136.11230	4.5
137.13289	1.3
139.03893	1.7
141.10159	0.9
146.09686	0.6
148.11168	0.8
150.12775	22.7
150.14000	1.1
151.13559	5.6
152.14354	2.8
153.12726	1.1
161.13234	1.5
162.12776	3.2
164.14348	22.8
165.07848	16.8
166.08594	2.2
166.15923	4.4
168.10126	0.6
176.14322	0.6
178.15945	2.8
179.09375	1.1
179.11821	0.9
179.14198	0.9
190.12288	2.1
190.15836	0.9
193.13330	0.7
196.09738	1.1
204.13817	0.6
206.15480	1.5
208.13316	23.4
208.16994	2.1
209.13605	0.9
210.14885	9.3
213.12314	1.4
221.16547	3.6
223.18048	10.0
249.15974	2.1
249.19594	3.0
250.14377	10.9
252.15897	2.0
267.17029	100.0
268.15204	10.5
269.18597	5.9
293.18689	1.8
294.17044	2.6
311.19632	52.2
312.17560	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	311.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37183	0.6
55.05488	1.5
58.06574	0.7
67.05481	1.6
69.07039	1.1
69.85034	3.8
72.04507	3.7
79.05482	3.5
80.04991	2.2
80.36984	0.5
81.07036	2.6
82.06548	1.4
86.09708	0.9
87.05562	2.0
88.03976	1.2
91.05479	2.9
93.07043	7.6
95.08576	2.7
96.08092	1.2
98.09647	0.9
103.05440	0.8
105.07001	1.6
106.06570	0.9
107.08595	3.4
108.08112	66.0
110.09649	1.4
118.06542	1.3
119.08576	1.4
120.08064	2.3
121.08901	6.8
122.09664	10.4
123.04406	1.1
123.10412	1.5
124.07568	1.2
124.11261	0.8
126.56932	0.7
133.10141	0.9
134.09665	3.1
135.11664	8.7
136.11195	4.6
137.05951	1.5
137.13260	1.7
139.03899	1.3
141.10223	1.0
146.03181	0.8
148.07578	0.9
148.11176	0.9
149.11990	0.7
150.12772	21.9
151.08717	0.7
151.13577	6.1
152.14326	4.8
161.13208	0.9
162.12752	3.3
164.06998	1.1
164.14340	24.0
165.07855	21.0
166.08600	2.2
166.15843	2.8
176.14296	1.1
177.05481	1.0
178.05794	1.3
178.15909	2.7
179.06635	0.6
179.09435	1.1
179.11752	1.6
179.14264	0.6
190.12268	2.9
193.13361	0.7
195.07579	1.1
196.40964	0.6
204.13947	0.8
206.15361	1.6
208.13324	26.5
208.16978	1.2
209.13774	0.7
210.14902	2.9
213.12416	0.8
221.16476	4.6
223.18040	9.6
249.16054	3.2
249.19696	1.1
250.14368	12.9
251.14331	0.7
252.15991	1.8
265.19217	0.7
267.17032	100.0
268.15408	4.8
268.17480	3.3
269.18564	2.7
290.70969	0.6
293.18552	1.3
294.16821	0.8
311.19647	41.0
312.17947	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1641
Annotation	Dihydrocordoin
Peak:m/z	Relative Intensity
53.27761	0.6
55.01866	1.9
55.05511	3.2
56.96563	1.0
57.03415	0.7
61.59891	0.6
64.15141	0.5
65.07179	0.6
67.05512	5.1
69.03422	1.4
69.07069	3.3
71.59132	0.6
79.05491	6.2
81.03404	0.5
81.07056	4.8
83.04980	1.0
83.08623	2.2
85.06584	0.6
91.05480	3.1
93.07047	2.8
95.04966	2.2
95.08628	3.6
97.02868	0.9
97.06521	0.7
97.10163	1.9
103.05467	2.7
105.07030	28.0
107.04959	4.3
107.08599	2.4
109.10153	2.6
111.08074	0.7
115.05468	1.8
117.07013	1.0
119.04967	0.7
119.08564	1.8
121.06551	0.6
121.10117	1.7
123.04428	1.5
123.08036	0.6
125.09654	1.3
129.07095	0.7
131.08598	0.9
133.06494	100.0
134.06822	1.6
135.04391	4.2
137.05965	2.9
139.11150	0.6
145.06538	0.7
146.07227	0.6
157.41823	0.6
159.08035	1.3
159.11761	0.8
175.07536	0.6
187.07594	0.9
189.11191	0.9
191.08665	1.1
191.10670	5.0
219.08008	1.1
236.08313	0.8
251.10732	1.8
255.10225	1.9
275.20093	1.6
275.57986	0.6
279.10184	1.9
283.13138	0.6
293.12143	0.7
293.21234	0.8
311.09753	0.8
311.12827	3.1
311.16467	1.8
311.29410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.164
Annotation	Dihydrocordoin
Peak:m/z	Relative Intensity
51.02383	0.2
52.94989	0.2
53.03942	0.3
55.01870	1.2
69.07051	0.7
70.92584	0.3
70.92916	0.2
77.03909	0.2
79.05494	3.5
91.05493	0.5
95.04978	0.8
103.05478	2.2
105.07030	31.6
106.07349	0.6
107.04958	5.1
110.83729	0.2
115.05437	1.1
118.94578	0.2
123.04433	0.9
131.04924	0.5
132.05708	0.3
133.06493	100.0
134.06825	1.8
135.04411	3.7
143.93896	0.2
161.05965	0.7
175.88051	0.2
191.10678	4.8
192.11057	0.2
204.04671	0.2
209.09685	0.2
209.11723	0.5
237.11211	0.6
255.10133	1.5
300.81586	0.2
311.16379	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84845	0.5
55.05516	0.9
57.02116	0.5
61.02916	1.2
65.03967	0.6
66.28304	0.5
67.04238	1.0
67.05501	1.0
69.07075	0.6
71.58016	0.7
72.08135	0.5
79.05483	1.0
80.05019	0.7
82.06580	3.6
85.02913	1.1
89.46084	0.5
93.07014	0.9
95.04983	0.7
97.02891	0.6
103.05452	1.4
107.04964	2.1
109.06525	0.9
110.06041	100.0
111.04379	0.8
111.06387	1.3
112.07631	3.4
113.04208	0.7
115.05416	0.8
122.06113	0.6
124.07614	0.9
131.04926	2.9
131.96741	1.0
135.04405	0.8
136.07579	1.0
137.05959	1.3
138.09157	0.5
140.07060	29.2
142.08626	3.3
143.04904	0.6
145.06482	1.5
149.06018	1.0
154.08612	2.3
156.06567	0.8
156.10228	0.5
161.05971	0.5
163.07521	0.8
172.09674	3.8
173.06328	0.9
175.07547	0.9
177.05447	4.2
187.07466	0.9
189.05472	1.0
190.00722	3.2
191.06972	2.8
192.02295	2.1
203.07082	2.0
205.08490	0.8
208.09720	0.5
221.08128	0.9
222.03291	5.5
229.08586	1.1
230.11717	0.8
258.11356	1.1
271.66559	0.5
275.13947	3.3
276.12231	1.3
293.14948	8.5
311.11417	2.5
311.16034	11.7
311.19342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23436	2.3
54.27070	2.2
55.01872	3.5
55.05499	2.6
56.96563	3.0
57.03432	3.6
57.49702	1.8
61.02934	18.0
69.48233	5.5
69.48657	13.5
73.02926	3.8
79.05521	2.0
82.06590	3.0
84.08114	2.5
85.02884	3.7
91.05504	5.7
95.04987	2.4
95.08665	2.2
97.02898	4.3
97.06516	2.1
103.03940	6.1
103.05471	19.9
107.04961	6.9
109.10198	3.0
110.06038	100.0
112.07626	2.7
115.05437	13.8
117.03380	2.4
117.07008	20.5
122.06018	3.1
124.07659	3.5
125.06005	2.4
129.06989	2.6
131.04930	35.0
133.06543	3.0
137.05965	14.7
140.07056	28.9
141.06972	4.5
143.04900	10.0
144.05734	2.8
145.02853	4.9
145.06491	31.3
147.04404	6.0
148.05150	3.3
149.05959	21.0
151.03926	4.2
153.05482	4.9
154.08646	2.5
159.04395	3.4
160.05209	8.1
161.05992	10.3
162.03133	5.0
162.06786	5.2
163.07549	14.2
169.06480	6.9
171.04427	3.1
173.06075	5.5
175.07550	14.4
176.04716	9.6
177.05470	73.1
177.09079	16.5
179.03395	5.3
179.07018	4.1
181.04910	2.5
187.07533	11.4
188.04645	4.2
189.05531	10.6
190.06284	4.1
191.07039	59.7
195.06573	3.1
197.05957	4.3
200.04794	3.0
203.07039	40.5
205.08606	15.9
207.06516	6.4
214.06151	3.9
215.07057	18.2
217.08675	5.8
219.06458	4.6
221.08167	16.4
222.03357	6.2
227.07202	2.7
229.08559	12.8
233.08112	9.6
245.08186	7.0
257.08075	10.4
275.13895	4.6
293.10159	4.5
293.15002	8.7
311.11194	36.9
311.16202	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	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.02549	2.4
57.03431	2.7
61.02932	18.6
65.03945	2.7
67.05502	4.7
69.03415	5.0
70.06562	3.4
71.58733	4.5
71.59113	3.9
72.58009	2.8
73.02883	3.8
81.03418	5.0
84.04489	2.9
84.08118	3.7
85.02884	6.0
89.03944	3.6
91.05473	8.3
91.13320	2.8
93.07032	4.6
94.73295	2.7
95.04950	4.0
97.02909	3.4
103.03926	8.3
103.05453	27.7
105.07004	3.1
107.04964	13.7
110.06048	46.6
111.04399	3.6
115.05444	15.2
117.03406	3.4
117.07012	29.9
119.04896	3.0
121.06480	3.9
122.06046	4.5
125.06004	3.3
130.05130	2.6
131.04915	58.1
133.06497	6.5
134.03647	3.2
135.04378	5.3
137.05980	21.3
138.09128	3.3
140.07083	14.5
141.06931	4.1
143.04912	12.5
144.05661	4.9
145.02898	3.0
145.06474	44.2
146.03658	3.4
146.46837	2.7
147.04405	7.4
148.05200	5.4
149.05963	24.1
151.03877	8.3
153.05429	5.5
155.04938	5.5
157.06448	3.2
159.04337	6.4
160.05186	10.2
161.05956	13.3
162.03114	5.5
162.06796	5.7
163.03931	3.2
163.07547	20.7
169.06467	10.3
171.04405	4.9
172.05176	4.1
173.06085	6.4
175.03868	2.9
175.07530	11.4
176.04729	13.8
177.05464	100.0
177.09052	20.1
179.03378	6.2
179.07114	4.8
187.07547	16.8
188.04730	4.2
189.05414	12.7
190.06258	6.0
191.05399	5.2
191.07036	63.7
195.06602	3.6
197.05971	5.3
200.04683	3.2
201.09123	5.8
201.13831	3.4
203.07013	51.1
205.08566	23.2
207.06503	7.4
208.09634	12.8
215.07047	24.6
217.08571	9.3
221.08104	17.7
227.07060	3.7
229.08617	16.4
231.06474	3.6
233.08073	10.4
245.08191	9.4
247.14362	3.7
257.08038	16.4
263.09320	3.0
275.09167	6.9
275.13837	9.2
293.10358	6.5
293.14883	10.6
311.11224	55.7
311.15994	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	310.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01863	2.3
55.05498	3.0
56.96549	1.5
67.05504	6.9
68.05011	1.8
69.03427	9.4
69.07059	3.1
70.04069	1.6
70.06561	1.5
70.42331	4.1
71.04993	1.2
73.60411	0.8
79.05484	10.8
79.37614	0.9
80.05019	1.5
81.07047	5.0
83.04985	1.2
84.04472	3.0
85.02891	2.6
86.06064	27.9
87.04436	1.0
91.05483	18.7
93.05750	1.3
93.07042	5.5
94.06558	3.5
94.75335	0.9
95.04971	1.7
95.08601	3.6
96.04501	6.0
98.06055	2.0
98.97569	1.5
103.05434	1.4
105.07019	11.8
106.06519	2.7
107.04938	3.7
107.08582	3.3
108.04465	3.4
108.08096	2.7
109.02888	1.2
109.06513	0.9
109.10098	1.5
110.02377	2.8
110.03120	1.2
110.06054	2.7
113.44969	1.0
114.05481	2.1
115.05461	1.5
116.07040	1.0
117.07001	4.3
118.06513	1.1
119.07307	1.6
119.08584	15.5
120.08092	4.8
121.06467	1.2
122.06030	22.6
122.09667	4.0
128.06183	3.0
129.06999	2.7
131.08528	1.2
132.07982	1.2
133.06503	1.9
133.10127	14.5
134.06004	4.3
135.07967	0.9
136.07585	4.7
137.05977	4.3
143.08551	8.9
145.06477	1.1
147.08026	2.2
148.06538	1.1
148.07591	13.0
149.08363	5.4
150.09122	3.5
150.12726	2.2
152.07100	1.2
153.07033	2.1
155.72183	1.0
159.08023	2.2
160.07574	1.5
161.09601	21.0
162.09132	3.0
163.14801	1.3
164.07045	7.4
166.08693	1.5
171.08057	11.3
174.09209	2.1
175.04024	1.1
176.07059	9.2
176.10721	1.2
178.08707	5.1
178.12233	2.4
178.15901	3.5
179.10666	2.2
179.16652	2.8
187.07544	2.2
188.10678	3.4
189.09106	14.2
190.08681	13.8
190.12234	2.8
191.08583	2.1
200.10728	1.5
202.12187	1.6
206.11768	3.7
207.06490	1.8
208.13255	1.2
218.07152	1.1
218.11720	1.3
218.15334	7.9
219.07970	2.9
228.13748	4.9
236.12836	5.8
237.09096	1.0
238.12248	1.5
246.14899	100.0
247.07545	1.6
247.15288	3.0
251.10664	2.5
256.13321	21.0
264.15945	32.5
274.11536	2.0
274.14371	27.5
278.09024	1.0
279.10153	3.3
292.15430	42.4
310.11362	2.4
310.16470	6.1
310.20111	21.6
311.09467	1.3
311.12781	5.6
311.20306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05503	3.8
67.05508	8.2
68.05012	2.2
69.03432	7.7
69.07069	2.0
69.45252	2.8
69.45657	10.0
70.04076	3.7
70.06581	1.8
71.04979	1.8
79.05490	7.2
80.05029	2.3
81.07061	6.3
83.04985	5.0
86.06062	30.3
91.05476	20.2
93.07027	5.8
94.06568	3.8
95.04969	2.9
95.08612	6.0
96.04498	5.0
96.08883	1.1
98.06063	2.4
98.97553	1.1
98.98454	1.8
105.07034	13.4
106.06614	1.5
107.04950	4.6
107.08598	4.4
108.04473	6.1
108.08115	4.0
109.10143	1.7
110.02413	2.2
110.06075	1.9
115.05444	1.5
115.79548	1.2
117.07018	5.6
118.06570	2.2
119.08594	14.4
120.04443	1.3
120.08119	3.1
121.05243	1.3
121.10196	1.4
122.06026	26.9
122.09634	2.6
126.09143	1.8
128.06219	3.4
130.06532	1.2
131.08600	2.9
132.08092	1.6
133.06479	4.4
133.10112	14.7
134.06001	3.8
136.07568	5.5
143.08542	9.8
145.10114	2.5
147.08008	2.7
148.07533	10.6
149.08344	5.9
150.09131	3.7
150.12779	5.1
153.07004	2.6
160.07481	1.7
160.11238	1.5
161.09612	23.1
162.09145	3.3
164.07065	10.5
171.08070	11.8
176.07089	8.0
178.08690	5.6
178.12294	2.8
179.10670	1.7
187.07614	1.4
187.73936	1.2
188.10750	5.9
189.09122	16.4
190.08621	14.1
190.12309	5.0
197.70547	1.3
200.10695	2.5
206.11784	3.8
218.11789	19.7
218.15292	7.4
228.13840	3.6
230.15480	1.6
236.08345	1.4
236.12827	9.6
246.14894	100.0
247.15125	2.1
251.11052	1.3
254.08856	3.2
256.13330	21.9
264.15936	36.0
264.18781	2.1
266.21149	18.4
268.22775	1.4
274.14371	27.0
279.10126	2.1
292.15430	36.6
310.16537	2.9
310.23761	10.5
311.12598	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	64.6
55.05508	40.6
57.03421	4.1
57.07067	10.0
67.03408	3.9
67.05504	58.9
69.07062	29.8
70.68631	6.4
71.04976	4.7
71.08611	8.0
79.05477	35.6
81.03415	9.9
81.07048	64.8
83.04996	21.2
83.08626	28.1
85.10183	21.6
91.05482	29.4
92.03211	3.5
93.07045	37.7
95.04950	26.4
95.08606	54.7
97.06520	27.0
97.10153	6.4
98.21490	5.1
99.08070	6.5
105.07034	20.9
107.04948	11.3
107.08577	22.2
109.06499	11.7
109.10145	21.1
111.08085	65.3
113.09638	21.0
117.06998	4.4
119.08590	16.5
121.10134	18.0
123.08080	10.4
123.11684	6.0
125.09608	4.6
129.07053	5.0
131.08615	7.2
133.10147	25.8
135.11681	6.9
137.09584	7.0
137.13249	5.0
139.11267	4.8
145.10098	5.3
147.11681	18.7
149.09615	9.2
149.13226	8.6
151.11189	12.2
154.16374	3.8
157.10085	6.0
161.13239	5.0
163.11215	6.2
165.12813	23.2
171.11649	8.8
179.14256	9.9
193.15886	4.8
207.13733	5.7
221.15456	4.7
231.20967	3.9
241.19583	5.5
249.22119	9.4
253.08527	5.7
259.20544	10.8
273.18539	5.6
277.21616	100.0
291.19531	6.8
295.22675	13.4
309.24091	21.0
332.61575	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	10.0
55.01872	25.2
55.05263	4.0
55.05511	50.6
57.03428	10.0
57.07084	14.3
59.04991	3.7
65.03943	3.4
67.05507	98.4
69.03437	24.7
69.07066	50.2
69.32101	23.0
69.32520	8.2
71.04990	8.8
71.08631	32.6
79.05063	4.7
79.05496	65.1
81.03422	30.9
81.07059	100.0
83.04524	4.5
83.04981	26.2
83.08618	26.0
85.06530	9.0
85.10172	12.2
91.05482	49.6
93.07047	70.3
95.04979	34.1
95.08610	82.9
97.02924	2.9
97.06528	20.9
97.10169	20.9
99.08090	28.6
105.07036	41.4
107.04949	17.9
107.08596	42.3
109.02866	2.7
109.06512	11.2
109.10162	25.2
111.04440	16.2
111.08075	12.9
113.09627	15.9
115.05412	3.6
117.07018	8.6
119.08584	24.6
121.06485	5.0
121.10138	27.1
123.08086	31.3
123.11710	9.1
125.09621	24.4
129.07022	7.1
131.08554	10.7
133.06519	7.0
133.10135	26.0
135.08064	11.2
135.11670	28.3
137.09587	15.2
139.11197	7.9
143.08554	5.6
145.10136	13.0
147.04382	3.9
147.08078	4.6
147.11673	15.9
149.09637	9.5
149.13246	12.5
151.11197	35.0
153.09073	7.1
153.12714	8.2
155.10631	3.4
157.10135	6.3
159.11818	3.5
161.09607	6.7
161.13261	14.9
163.11172	13.3
163.14853	5.7
165.09113	5.2
165.12761	18.2
168.39659	2.9
171.11642	6.2
173.11923	3.2
173.13284	7.0
175.11130	6.9
175.14850	5.5
179.08499	3.6
179.14331	9.5
185.13277	5.7
189.09088	12.0
189.12726	3.7
193.12170	4.4
198.48497	3.1
199.14851	3.6
203.12700	6.3
207.13782	5.1
210.06721	3.4
221.15608	3.3
231.21111	4.2
235.16893	4.1
241.19429	6.6
249.22154	11.2
251.64375	2.7
253.08670	19.9
259.20621	10.0
273.18805	2.9
277.21628	75.5
278.21906	3.7
291.19437	14.2
291.22964	6.3
309.07712	4.5
309.11230	2.9
309.16678	10.1
309.20593	11.0
309.24002	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.17727	1.8
50.46388	1.8
53.03945	10.5
55.01875	20.9
55.05266	2.0
55.05511	25.5
57.03436	6.0
57.07066	6.7
65.03939	3.1
67.05505	63.6
68.48130	1.7
69.03423	4.0
69.07068	60.1
69.33192	2.5
69.33543	19.9
71.04985	6.5
71.08620	3.4
79.05487	48.5
81.03413	20.7
81.07056	100.0
83.04993	9.7
83.08626	17.1
85.06540	4.0
85.10191	2.8
88.37924	1.9
91.05470	20.4
93.07047	46.4
95.04974	21.0
95.08604	85.6
97.06540	19.4
97.10168	11.3
99.08081	2.7
105.07027	22.2
107.04978	2.5
107.08582	34.3
109.06511	7.7
109.10162	17.4
111.08085	7.3
113.09636	4.1
117.06976	4.3
119.08585	17.1
121.06529	2.0
121.10163	15.9
123.04427	3.2
123.08064	72.6
123.11697	4.5
125.09623	13.7
129.07005	3.8
131.08562	4.9
133.10115	11.4
135.08067	2.2
135.11696	38.1
137.09631	12.4
137.13228	3.8
139.11163	12.2
143.08536	3.2
145.10115	3.7
147.11694	7.9
149.09651	3.4
149.13261	6.7
151.07510	10.3
151.11174	14.1
153.09091	2.7
153.12767	15.8
155.10649	6.6
159.11697	2.2
161.09595	5.1
161.13257	5.2
163.11203	2.4
163.14828	4.3
165.12822	9.1
167.10687	2.2
167.14323	3.2
171.11703	4.7
173.13313	3.6
175.14827	5.4
177.12680	2.4
179.10730	3.5
179.14294	4.3
181.12251	5.1
181.15878	2.1
185.13310	3.2
189.44032	1.8
193.12265	2.5
199.14856	2.6
203.12717	3.2
207.13795	2.7
217.14211	2.4
229.54247	1.9
231.21092	5.5
241.19550	6.6
249.22116	15.5
257.50201	1.6
259.20581	8.9
277.21625	65.8
278.21976	2.1
288.51596	1.7
291.23221	3.2
309.24268	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
55.01854	10.0
55.05514	35.7
57.07057	11.5
62.01983	4.1
63.71165	4.0
67.05500	52.6
69.03423	4.3
69.07071	28.6
69.34117	30.1
69.34543	11.6
70.04104	4.2
70.69999	4.1
71.04971	6.1
71.08617	13.5
79.05482	41.1
81.03434	6.1
81.07056	61.1
81.57252	4.1
83.04960	21.4
83.08607	15.1
83.80689	3.6
85.06564	8.3
91.05470	34.1
93.07047	52.2
95.04978	41.5
95.08601	47.9
97.06498	10.6
97.10168	9.0
98.20776	8.1
99.08101	19.9
105.07037	26.7
107.08610	26.1
109.06525	6.9
109.10149	18.0
111.08080	7.4
117.06991	8.9
119.08579	26.8
121.10105	20.0
123.08042	9.0
123.11684	4.4
129.06972	4.8
131.08589	9.5
133.10124	23.4
135.11696	14.7
137.09612	5.5
139.11192	7.2
145.10133	8.3
147.11684	14.8
149.13217	11.2
151.11188	11.1
152.59706	4.0
157.10107	6.9
161.13254	6.2
163.11159	8.2
165.12793	9.8
167.14409	3.8
171.11658	6.9
173.02116	4.2
173.13358	5.0
175.11186	4.3
175.14851	5.7
179.14389	5.1
180.89928	3.6
201.74510	4.4
221.15404	4.5
231.21065	5.6
241.19537	5.7
249.22188	8.0
257.84280	4.1
259.20605	9.8
276.78494	4.0
277.21619	100.0
291.19565	5.3
291.23175	6.7
295.22769	8.5
309.24136	32.4
309.29913	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.88511	2.8
53.03944	26.3
55.01860	9.1
55.05510	39.8
57.03442	5.2
57.07076	5.7
65.03932	4.1
67.05502	79.9
69.07060	52.9
71.33638	7.6
79.05487	48.4
81.03415	95.4
81.07049	66.8
83.04968	22.5
83.08612	11.8
85.10178	5.3
91.05466	25.8
93.07036	65.4
95.04959	46.2
95.08608	27.3
97.06517	7.7
97.10153	15.1
105.07021	28.1
107.08585	37.1
109.06515	11.4
109.10136	22.3
111.08069	4.6
117.06986	4.8
119.08582	11.4
121.10125	15.1
123.11701	9.9
125.09621	22.5
129.07031	4.3
131.08517	4.7
133.10127	21.6
135.07994	8.0
135.11691	12.0
143.08585	4.7
147.11668	21.9
149.09676	4.7
149.13240	9.6
151.11162	62.3
153.09097	8.8
157.10181	3.8
158.08478	3.1
161.13272	14.5
163.14859	6.4
165.12759	9.8
171.10144	7.5
171.11644	5.3
173.13133	4.2
175.14833	10.5
179.14301	9.5
185.13222	3.0
203.12805	8.9
207.13921	4.9
229.66708	3.2
231.21094	14.7
241.19537	6.7
249.22159	9.4
259.20618	9.9
277.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
55.05517	19.3
57.03418	4.7
57.07061	4.4
67.05505	54.3
68.20605	3.7
69.07063	17.2
69.66695	10.9
69.67117	16.3
71.08629	60.9
79.05497	50.1
79.86153	3.8
81.03394	5.4
81.07053	49.3
83.04973	12.4
83.08611	13.4
91.05484	36.5
93.07046	72.2
95.04964	14.3
95.08604	38.3
97.06515	13.7
99.08089	45.4
105.07027	21.9
107.04980	6.4
107.08580	38.4
109.06480	5.5
109.10154	14.3
119.08561	14.2
121.10146	27.4
128.84633	3.7
131.08554	7.6
133.10133	16.4
135.11681	41.0
137.09563	5.9
139.11147	4.3
141.09032	3.7
145.10120	6.3
147.11679	4.7
149.13243	14.3
151.11192	22.9
159.11661	5.9
161.13245	16.1
163.11195	10.4
171.11655	3.5
179.14322	100.0
182.24246	4.4
199.14754	3.7
221.15271	5.8
235.16963	5.4
259.20563	4.8
277.21634	45.5
318.35281	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	4.0
55.01878	12.8
55.05514	35.4
56.16169	2.3
57.03438	3.1
57.07073	8.3
58.67643	2.5
65.03953	2.6
67.05169	4.8
67.05506	59.2
69.03433	3.7
69.07072	28.1
69.33389	21.7
69.33799	3.8
71.05006	5.3
71.08633	24.6
74.57382	2.8
78.67401	2.5
79.05494	46.1
81.03410	7.2
81.07060	60.2
83.04973	11.7
83.08613	16.6
85.06548	4.9
85.33701	2.6
91.05480	33.3
93.07043	49.7
95.04977	39.2
95.08051	3.9
95.08611	42.1
97.06530	13.2
97.10183	9.2
99.08085	19.1
105.07030	25.7
107.08591	24.9
109.06502	9.2
109.07248	2.3
109.10136	15.1
111.08029	6.1
117.07065	4.0
119.08566	17.8
121.06460	3.1
121.10161	23.1
123.08099	7.6
123.11757	5.5
125.09622	3.1
126.84608	2.6
131.08578	11.4
133.10133	21.8
135.11690	18.6
137.09639	4.7
137.13278	4.5
139.11185	8.0
143.08578	5.5
145.10152	9.7
147.11705	19.2
149.13235	10.5
151.11163	12.1
153.12737	3.1
157.10155	7.1
159.11691	3.7
161.13286	8.4
163.11227	7.0
163.14799	4.3
165.12785	9.1
171.11737	4.6
173.13226	4.7
175.11241	7.0
175.14864	6.0
177.12756	2.3
179.14343	7.2
185.13293	6.9
193.12248	3.4
199.15050	2.8
207.13753	4.9
212.68236	2.4
217.19405	2.9
221.15448	7.5
231.21036	4.7
235.14369	2.5
235.17010	2.9
241.19583	5.9
249.22290	5.9
259.20578	10.3
269.80688	2.7
277.21622	100.0
278.21762	2.7
291.23166	5.9
295.22598	3.0
309.24225	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	31.2
55.05496	39.4
57.03435	21.2
58.98599	14.2
67.05497	84.0
67.72097	12.7
69.07053	41.3
69.76252	100.0
79.05495	52.9
81.07074	68.3
83.08630	14.9
91.05436	36.5
93.07039	61.9
93.79338	13.1
95.08590	54.0
97.06525	24.9
98.21415	23.2
99.85541	13.8
105.07016	25.5
107.08583	45.6
117.07061	17.2
119.08554	35.3
121.10114	28.6
122.88264	12.6
125.09603	26.8
131.08545	14.1
135.08138	13.7
135.11676	23.9
149.13235	24.5
203.12830	19.0
206.40234	16.3
277.21640	46.5
309.26154	30.3
310.10788	16.2
310.14462	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	3.3
55.01867	6.3
55.05510	21.0
55.24635	1.5
60.54591	1.9
67.05502	29.1
68.03709	1.5
69.03422	2.2
69.07064	8.4
69.66477	11.1
72.76006	1.5
79.05061	3.0
79.05493	44.8
81.03423	2.9
81.07055	20.3
83.04980	4.7
83.08622	11.4
85.06554	2.2
91.05482	24.1
93.07034	20.9
95.04971	13.8
95.08604	12.9
97.06503	2.4
97.10163	10.8
100.54493	1.4
105.07031	13.4
107.04951	100.0
107.08588	17.4
109.02966	1.5
109.06499	4.2
109.10158	19.9
111.04404	2.3
115.05489	2.6
117.07021	8.8
119.08581	25.6
121.06512	2.3
121.10139	10.3
123.08048	1.7
125.09637	11.1
129.06995	2.4
131.08557	8.1
133.06471	3.3
133.10126	3.9
135.08052	45.3
135.11690	2.4
137.05948	18.1
137.09589	9.2
138.06334	13.4
143.08519	3.8
145.10135	8.5
147.04437	2.1
147.08067	8.1
147.11723	2.3
149.09605	5.6
155.10715	3.7
157.10188	3.1
161.09610	2.1
165.09146	5.8
171.11717	2.4
173.11726	17.5
189.09113	4.2
189.11214	5.4
237.16600	1.6
263.19962	1.7
273.18491	15.5
291.19498	18.1
309.07471	1.5
309.24313	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03962	1.4
55.01868	2.6
55.05502	6.9
56.96555	1.7
57.03435	22.7
57.07068	3.0
65.03932	2.0
67.05506	25.8
69.03426	1.4
69.07055	4.9
69.95013	1.9
69.95433	3.2
70.04077	2.5
71.04995	4.9
73.29425	1.0
79.05498	10.7
81.03416	2.4
81.07053	18.3
83.04984	2.2
83.08626	2.4
85.06544	26.8
91.05466	10.2
93.07046	12.3
95.04970	26.6
95.08604	18.1
96.08933	1.4
97.06553	2.4
97.10183	2.4
98.97580	1.8
105.07040	7.7
107.04964	4.3
107.08591	8.9
109.06513	7.8
109.10158	5.7
110.06882	1.1
111.08092	1.7
111.11790	0.9
113.06006	100.0
116.98611	1.6
117.07017	4.4
119.08590	5.7
121.06494	2.1
121.10136	5.0
121.79963	1.1
123.04427	2.3
123.08064	2.3
123.11753	1.2
124.12081	1.0
125.09605	2.1
126.79515	1.1
128.06235	1.8
129.07004	1.7
131.00198	1.0
131.08516	4.8
131.59236	1.0
133.06496	9.5
133.10150	3.1
135.08043	6.2
135.11697	3.5
137.09615	4.5
142.86684	1.1
143.08517	1.8
145.10118	3.8
147.04385	2.3
147.08080	3.2
147.11685	1.9
149.01230	2.0
149.09619	1.8
149.13261	3.0
155.10625	1.2
157.10146	2.1
159.11668	2.1
161.09648	2.7
163.11160	2.1
165.09175	3.1
171.11697	1.5
179.08571	1.0
187.19389	1.1
189.07495	1.8
189.09024	7.8
189.12862	1.2
199.11198	1.4
199.14809	1.8
217.15851	4.4
224.08040	1.1
235.13387	2.1
235.26280	1.1
255.17319	1.3
273.18454	6.7
275.74869	1.0
277.08350	1.9
281.11557	1.3
291.19531	10.5
309.11279	1.8
309.17200	2.1
309.20633	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.97583	7.4
53.03947	7.1
55.01868	18.7
55.05511	45.3
57.07057	7.1
67.05506	80.3
69.07063	39.1
69.40384	7.3
70.84486	14.8
71.04987	13.0
73.37424	7.6
79.05499	53.4
81.07063	90.4
83.01319	10.3
83.04988	21.0
83.08646	14.4
85.06530	12.2
91.05476	61.5
93.07048	66.0
95.04964	24.3
95.08607	50.0
97.06531	14.2
97.10143	10.3
97.37139	7.0
105.07030	59.8
107.05003	17.3
107.08611	53.0
109.06510	13.2
109.10151	58.9
111.04439	11.5
111.08059	14.1
117.07060	10.5
119.08581	21.6
121.06526	17.7
121.10155	14.6
123.04482	8.1
123.08050	7.9
129.07031	12.9
130.09897	8.1
131.08572	19.4
133.06454	20.4
133.10112	77.2
135.08121	7.2
135.11670	11.1
137.09645	8.7
139.07504	12.9
145.10132	10.2
147.08025	17.0
147.11668	12.6
151.11189	39.2
161.09648	19.3
161.13307	10.0
171.11783	10.9
181.08582	10.2
245.19044	26.3
258.32755	7.8
263.20062	31.1
273.18515	49.7
277.16977	8.1
291.19571	100.0
309.20624	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	6.5
55.01871	22.7
55.05508	31.8
57.03439	5.5
57.07071	5.3
65.03931	3.4
65.47625	1.8
66.50375	1.8
66.50718	1.7
67.05505	74.1
69.03432	6.5
69.07069	28.1
70.04050	2.3
71.04986	12.0
71.08628	1.9
71.19585	3.5
71.19904	2.1
72.57729	1.7
74.67986	1.8
77.03899	1.7
78.99914	2.1
79.05492	49.2
81.03419	7.6
81.07056	100.0
82.07371	1.9
83.01338	3.0
83.04952	11.4
83.08609	14.6
85.06547	6.2
91.05478	52.7
92.31706	1.9
93.07043	51.2
95.04973	17.1
95.08608	33.8
97.02913	4.5
97.06525	11.6
97.10168	6.1
99.04462	6.2
99.08070	4.9
105.07030	57.6
106.07341	2.4
107.04937	11.0
107.08593	50.5
109.06538	12.2
109.10155	75.2
111.04425	14.0
111.08065	11.0
117.07011	6.8
119.08566	19.6
121.06508	14.1
121.10142	12.6
123.04432	5.5
123.08063	7.2
123.11712	11.8
125.06005	2.3
125.09641	4.8
127.07572	4.8
128.06258	3.0
129.07001	6.7
131.08569	13.3
133.06451	7.8
133.10129	99.6
134.10446	2.4
135.08054	10.2
135.11740	10.0
137.05956	5.4
137.09607	4.5
139.07458	9.5
139.11166	2.4
143.08563	8.7
145.06546	2.3
145.10104	12.0
147.07033	2.3
147.08022	11.6
147.11659	6.7
149.09625	8.7
149.13263	3.5
151.11180	50.9
153.09164	2.5
157.10114	5.9
159.08087	3.7
159.11685	4.6
161.09599	15.2
161.13281	4.0
163.11232	2.5
165.09106	4.8
167.10666	4.1
169.12241	9.9
171.11697	6.4
173.09615	2.4
173.11870	2.4
175.11220	7.9
177.12660	2.8
179.10751	5.4
179.14342	3.0
181.08620	4.9
185.13300	5.6
189.09100	2.1
189.12729	4.2
193.12184	4.3
199.11188	3.5
207.13742	3.4
215.12700	3.2
223.13277	2.0
224.93996	2.3
227.17899	4.3
235.13237	3.5
245.18977	15.9
255.17566	3.5
263.20087	17.6
273.18475	34.9
291.19547	67.5
292.19904	2.8
309.20584	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.91706	1.1
53.03939	2.0
55.01875	7.1
55.05513	36.7
57.03422	2.4
65.03957	1.2
67.05508	17.4
69.03426	3.4
69.07068	11.5
70.65521	4.5
71.04961	1.3
79.05495	20.5
81.03413	3.5
81.07060	22.4
83.04978	3.7
83.08621	17.4
91.05489	10.6
93.07043	11.5
95.04959	5.6
95.08599	8.0
97.10174	25.7
105.07026	11.2
107.04967	3.4
107.08607	10.4
109.06522	3.3
109.10168	5.2
111.04472	2.7
111.08041	1.6
117.07012	4.3
117.24211	1.3
119.08597	7.8
121.06495	3.7
121.10146	4.3
123.08051	10.0
125.09625	19.7
131.08594	5.8
133.06468	4.4
133.10135	4.1
135.08070	4.2
135.11717	2.8
137.09627	3.1
145.10120	5.6
147.08078	4.6
147.11681	3.8
149.09586	2.9
153.09169	1.6
157.10153	1.5
159.11639	1.4
161.09618	1.5
163.11220	3.6
165.09126	6.1
171.11594	1.5
175.11150	2.8
181.12180	1.2
187.11241	1.6
189.11230	10.9
189.12727	2.0
190.07498	1.3
223.13412	2.0
237.16368	1.4
245.19069	2.4
249.14859	1.9
255.17377	1.4
273.18445	13.4
280.04855	1.3
291.19547	100.0
292.19858	5.3
309.20593	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.29921	1.1
51.02385	1.1
53.03933	2.3
55.01860	4.9
55.05266	1.6
55.05513	24.9
65.03928	2.7
67.05177	1.9
67.05508	30.6
69.03416	2.9
69.07077	6.1
70.84891	2.2
70.85254	2.6
71.04969	1.8
79.05495	44.2
81.03407	2.4
81.07063	17.6
83.04989	2.3
83.08630	10.6
85.02869	1.1
90.16608	1.3
91.05486	24.1
92.66676	1.2
93.07047	21.5
95.04972	10.2
95.08028	1.8
95.08604	11.3
97.06543	1.3
97.10178	12.7
98.21398	1.4
105.07032	10.9
107.04958	100.0
107.08604	17.1
108.05276	2.5
109.06514	1.4
109.09460	2.0
109.10155	18.6
111.04415	2.1
111.08092	1.4
115.05424	2.9
117.07014	9.4
119.07801	1.6
119.08587	20.6
121.06477	2.6
121.10130	6.9
123.04446	1.2
123.08061	2.8
125.09639	11.2
129.07034	3.0
131.08577	7.1
133.06476	2.3
133.10129	4.6
135.08058	46.0
135.11717	2.3
137.09627	8.4
143.08569	2.5
145.10117	8.5
147.08028	9.8
147.11671	1.4
149.09628	4.2
155.10681	2.3
157.10115	3.8
159.11737	1.2
161.09673	3.0
163.11214	2.5
165.09129	3.6
167.13605	1.2
171.11586	1.7
173.11768	15.0
175.11150	2.0
189.11209	3.8
224.78181	1.2
245.19012	1.8
247.08905	1.3
255.17334	2.3
273.18466	12.8
291.19550	20.6
309.15170	1.4
309.20633	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01866	9.7
55.05509	6.2
57.03438	39.1
57.07049	4.4
67.05226	3.4
67.05508	38.1
69.03423	7.1
69.07070	6.4
70.84785	8.1
71.04985	4.7
79.05485	15.8
81.07053	21.9
83.08652	3.7
83.63120	3.7
85.06548	36.2
90.34821	4.0
91.05479	22.6
93.07045	20.3
95.04967	46.1
95.08600	12.3
105.07042	32.0
107.04982	7.5
107.08581	14.8
109.06528	53.1
109.10159	6.0
111.04438	6.3
113.06004	100.0
117.07005	6.9
119.08563	14.9
121.06473	4.7
121.10129	4.4
123.08078	3.4
129.07008	7.2
131.08591	8.9
133.06488	43.6
133.10118	6.6
135.08047	34.8
135.11690	5.0
143.08548	8.8
145.10091	7.3
147.04417	13.6
147.08047	13.1
147.11740	5.0
157.10176	5.6
161.09579	14.8
167.18326	3.5
171.11594	4.7
189.09105	74.8
210.00259	3.6
217.15927	18.0
263.20029	4.6
273.18448	13.4
291.19565	45.9
309.14966	4.7
309.20886	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	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.77828	1.3
53.71429	1.4
55.01872	36.4
55.05514	12.5
57.03431	2.2
65.03931	2.3
65.32949	1.4
67.05502	30.9
69.03417	2.7
69.07066	12.3
69.83987	8.8
71.04975	2.8
77.74217	1.3
79.05488	11.4
81.03405	7.2
81.07041	10.7
83.04978	31.9
83.08605	4.4
91.05474	12.9
93.07040	14.0
94.09386	1.4
95.04955	17.3
95.08604	8.8
97.06521	23.9
97.10165	2.5
99.04447	18.6
105.07013	10.2
107.04946	6.8
107.08615	9.4
109.06519	3.3
109.10151	12.6
111.04438	100.0
111.08068	2.3
112.04757	2.0
117.06980	3.3
119.04958	3.0
119.08605	6.7
121.06509	1.9
121.10146	3.8
123.04374	2.4
123.08058	5.3
125.09622	5.9
129.06987	2.6
131.08551	3.5
133.06506	12.0
133.10135	6.5
135.04367	1.7
135.08020	3.7
137.09625	7.2
137.82133	1.3
143.08603	2.3
145.10106	2.4
145.18118	1.3
147.04391	1.9
147.08017	3.8
147.11659	2.4
149.09604	5.3
153.09091	15.5
157.10036	3.1
161.09641	5.8
161.31378	1.2
165.09035	1.9
171.08075	2.6
171.10214	1.2
171.11737	1.5
173.11697	5.4
175.11218	4.9
179.10632	2.6
189.09102	8.2
189.11070	1.6
189.12730	2.5
193.12233	4.2
221.15346	2.0
249.14893	2.6
249.18443	1.6
253.08624	2.8
255.17435	2.7
263.19971	7.0
267.15842	3.0
273.18515	9.7
291.19553	24.6
291.22528	2.8
309.14883	4.0
309.20544	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.06936	8.1
55.01858	20.2
55.05513	45.6
57.03426	30.4
59.06231	7.4
67.05501	43.3
69.07060	19.1
69.48495	8.4
69.48808	70.3
79.05486	41.5
81.07061	49.5
83.04976	13.5
83.08618	17.8
88.53645	7.5
90.74947	8.3
91.05470	45.8
93.07056	36.2
95.04983	17.7
95.08606	17.8
97.06524	12.1
97.10180	30.6
105.07031	74.8
107.04948	18.9
107.08603	30.3
109.06541	16.3
109.10191	12.1
111.04475	9.4
111.37962	8.3
117.07001	18.6
119.08635	38.7
121.10139	10.8
122.84142	7.6
125.09631	9.5
131.08571	14.8
133.06477	100.0
133.10110	15.6
133.36507	6.8
135.08055	10.2
143.08459	7.2
145.10152	14.4
147.04369	10.2
147.08067	33.4
161.09602	13.0
163.11208	8.6
189.09094	60.6
213.80592	8.4
273.18579	38.0
273.21228	8.8
291.19519	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	309.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
53.20738	1.0
55.01872	8.3
55.05511	19.6
57.03440	24.8
57.07071	2.6
58.88158	1.0
59.04703	2.4
59.05002	46.5
65.03945	3.7
67.05506	50.1
69.03429	4.9
69.07062	11.2
70.04078	3.5
70.06570	1.1
71.01369	6.9
71.04989	4.9
71.59226	1.8
79.05497	39.3
79.45357	1.5
81.03051	1.0
81.03421	31.3
81.07056	35.4
81.07526	2.5
83.04980	9.2
83.08636	9.2
85.02914	5.0
85.06557	2.0
91.05482	28.4
93.07044	30.6
95.04971	100.0
95.08604	18.1
97.02909	3.5
97.06531	4.7
97.10182	7.9
99.08105	1.4
103.03962	3.8
103.05468	2.9
105.04515	1.2
105.07024	19.0
107.04953	21.2
107.05623	1.7
107.08595	24.7
108.08083	1.8
109.02895	14.8
109.06512	12.7
109.10135	9.0
111.04436	4.3
111.08085	4.7
115.05430	1.5
117.07008	12.7
117.09105	7.6
119.04964	3.9
119.08576	18.1
120.14424	1.2
121.06493	10.1
121.10141	10.8
123.04430	75.6
123.08073	5.5
123.11702	2.7
125.09645	5.3
127.03960	1.3
128.06245	2.9
129.06989	13.4
130.04985	2.5
130.07777	2.0
131.04948	4.4
131.08549	11.2
133.06499	4.8
133.10107	8.5
135.08064	7.0
135.11687	14.5
137.05991	4.9
137.09645	2.2
137.13292	5.1
139.03897	2.4
143.08562	7.6
145.02875	1.4
145.06496	3.5
145.10121	20.2
147.04413	4.7
147.08041	9.1
147.11688	7.8
149.05997	3.0
149.09654	6.1
149.13287	2.0
151.07507	1.8
153.09111	5.9
155.08549	2.4
157.06474	2.9
157.10194	2.9
161.09619	3.1
161.13249	3.3
163.11168	25.4
163.14783	1.2
165.06949	1.2
165.12701	2.4
171.08028	2.4
171.11658	8.2
173.09666	7.9
175.11180	3.8
177.05504	3.2
178.07790	2.0
178.16037	1.2
179.08560	1.5
179.16298	2.4
180.17513	3.4
189.07162	1.7
189.09071	2.0
189.11240	1.9
189.12770	11.3
191.10593	6.0
199.11240	3.5
206.07271	1.9
207.13765	16.8
217.12242	11.1
234.06705	3.0
235.13295	54.0
236.13591	1.7
249.09093	3.8
253.08649	9.2
262.06314	1.3
263.16434	2.8
277.08578	4.8
281.11755	5.4
294.08923	2.9
309.11548	7.7
309.16888	37.5
309.21732	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01871	3.7
55.05510	9.5
57.03437	2.5
64.50260	0.8
67.05508	13.5
69.03426	2.4
69.07072	6.9
70.04066	1.4
71.04996	1.6
71.59487	1.2
79.05492	13.3
81.03401	3.5
81.07061	15.8
83.04985	2.8
83.08622	6.0
84.72678	0.9
85.02880	1.3
91.05469	8.0
91.22689	0.9
93.07044	12.4
95.04982	6.2
95.08611	11.4
97.02944	1.0
97.06533	1.9
97.10175	6.0
99.08114	1.2
105.04386	1.0
105.07035	8.3
107.04942	3.6
107.08592	6.6
109.06532	3.5
109.10139	4.4
111.04455	1.0
111.08073	1.5
113.05988	1.3
117.07014	3.4
119.08574	5.3
121.06551	1.5
121.10162	4.7
123.04462	1.7
123.08075	10.9
123.11669	2.2
125.09618	3.8
129.07050	1.2
131.08575	3.1
133.06522	2.6
133.10141	2.8
135.08073	2.1
135.11703	2.3
137.09628	1.9
143.08551	1.7
145.06488	1.6
145.10135	2.7
147.08028	1.8
147.11708	2.1
149.09662	1.7
157.10139	1.7
159.08075	1.2
159.11697	1.5
161.06001	2.0
161.09703	1.8
163.11259	1.9
165.09132	1.1
175.11272	1.1
187.13344	1.0
189.09137	6.7
189.11238	3.2
189.12825	1.1
191.07033	1.4
193.12210	1.4
199.14777	1.0
217.16013	1.5
253.08604	2.0
255.17632	1.1
273.18460	3.8
277.08658	1.6
291.19528	7.2
309.16757	100.0
309.20160	3.3
310.17148	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.51614	0.8
55.01837	1.2
55.05513	5.8
56.96561	1.3
57.03425	1.2
57.07063	0.8
67.05497	5.8
69.03416	1.4
69.07075	4.9
70.04066	1.3
70.22108	4.2
79.05486	10.8
81.03413	1.1
81.07054	9.0
83.08594	2.8
85.06520	0.9
91.05485	4.6
93.07050	12.0
93.07650	1.3
95.04955	4.0
95.08607	6.3
97.06477	1.2
97.10150	3.1
105.06995	2.9
107.04935	1.9
107.08558	2.5
109.10156	3.4
111.04487	1.2
111.08111	1.2
113.05994	1.2
119.08550	2.5
121.10157	4.5
123.08077	1.2
123.11711	1.2
125.09584	2.4
126.60171	1.0
131.08530	1.0
133.06438	0.9
133.10141	1.7
135.08067	1.4
137.09615	1.7
138.92947	1.0
147.04401	1.1
173.84058	0.9
189.09135	2.7
189.11168	2.3
201.32324	1.0
253.08624	1.2
273.18582	1.4
281.11612	1.1
291.19315	2.2
309.16711	100.0
310.17014	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	309.1543
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.03942	2.2
54.07985	1.1
55.01871	3.7
55.05513	9.8
57.03436	6.4
59.04988	2.4
61.02925	8.3
67.05502	2.8
68.13665	1.2
69.03429	23.8
69.07056	3.5
70.04094	1.9
70.06587	2.4
71.04997	2.3
71.05621	2.4
71.05965	2.3
73.02922	3.6
77.17238	1.3
79.05477	2.2
81.03436	8.9
81.07051	3.4
83.01323	1.2
83.04975	1.7
83.08617	25.0
84.04470	1.2
85.02905	100.0
87.04469	2.0
91.03959	4.4
91.05495	4.3
91.30238	1.1
93.07041	3.1
95.04968	2.4
95.08627	2.4
97.02893	22.2
99.04461	4.8
101.09666	16.1
105.07049	2.4
107.08562	1.6
109.02877	10.8
109.10176	1.7
111.08085	1.5
119.04929	1.5
119.08582	2.2
123.04442	2.3
123.11745	1.4
124.07652	1.6
127.03918	17.7
129.07004	3.9
145.04948	18.3
147.04417	5.1
150.09164	1.9
152.06993	1.6
163.06036	2.2
178.08665	2.6
191.08279	4.6
206.07220	2.0
211.03642	1.4
213.32315	1.2
217.84932	1.4
221.09674	2.9
234.06773	2.0
249.09102	2.6
251.07112	2.5
277.08557	1.9
281.11737	7.2
287.15082	1.3
291.13422	6.2
302.92322	1.4
309.11261	6.6
309.18768	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	309.1484
Annotation	Ovaliflavanone B
Peak:m/z	Relative Intensity
50.24779	0.4
51.02387	0.3
53.03951	0.8
55.01873	2.6
55.05526	1.4
57.01025	0.4
57.03437	0.6
63.69879	0.4
64.97176	0.4
67.05508	4.5
69.03447	0.4
69.07069	5.5
69.70405	2.8
70.04098	0.7
71.05010	0.6
79.05475	2.9
81.03410	3.0
81.07050	4.5
83.01363	0.6
83.04993	1.7
83.08613	0.9
91.05483	3.2
93.07052	3.0
95.04984	1.9
95.08607	4.9
97.02920	0.4
97.06547	1.3
97.10187	0.4
98.97626	0.5
99.04454	1.0
103.05492	1.8
105.07033	2.7
107.04954	27.9
107.08632	1.6
109.02879	4.9
109.10168	2.4
111.04438	4.0
111.08099	0.4
115.05452	0.8
116.98611	0.4
117.07021	0.8
119.04978	0.4
119.08580	2.4
121.02916	1.2
121.06492	0.5
121.10160	1.2
123.04450	1.4
125.09676	0.5
126.78248	0.4
128.06230	0.5
131.04924	9.3
131.08620	0.6
132.05769	0.5
133.06467	3.3
135.04469	1.3
135.11734	0.5
137.09628	2.3
139.11203	0.5
141.06984	0.6
142.07834	0.5
143.08553	0.7
144.05695	0.5
145.02812	0.5
145.06483	4.3
145.10135	0.6
147.04388	3.1
147.08052	1.2
152.06197	0.5
153.07004	0.8
153.09155	0.8
154.07777	1.1
155.10597	0.7
157.06473	1.4
159.04425	3.5
160.05208	0.5
161.09569	0.6
165.07030	1.4
165.09149	0.4
167.08563	1.3
169.06525	0.5
169.10143	1.5
171.08055	2.4
171.53806	0.4
177.05492	1.3
178.07793	3.0
179.08572	7.4
181.06464	2.0
182.07266	5.2
183.08058	1.5
185.09615	0.8
189.07106	0.4
189.09109	3.2
194.07367	0.5
197.05969	1.3
197.09637	5.6
199.07558	3.4
207.08034	5.6
208.08592	0.6
210.06770	7.7
211.07487	2.1
224.08334	0.8
225.09109	8.4
235.07492	3.1
236.08295	0.4
237.05655	0.5
238.06273	1.3
239.07092	0.5
241.08565	1.2
247.42708	0.4
251.07268	0.4
251.10284	0.4
253.08597	100.0
254.08966	3.1
273.18564	1.2
277.08603	1.0
291.19653	2.1
291.22498	0.4
309.11487	1.1
309.14807	19.5
309.20148	2.2
310.15155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63209	1.4
65.85934	1.3
71.57486	3.2
72.22449	1.3
75.74859	1.3
87.96700	1.4
100.11255	2.9
156.97337	1.3
166.08395	100.0
177.00761	2.1
178.36565	1.5
187.34064	1.6
191.72354	1.4
233.03021	1.4
278.94739	1.5
309.04028	40.8
309.07193	1.6
309.17780	10.3
333.22067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1484
Annotation	Ovaliflavanone B
Peak:m/z	Relative Intensity
53.03951	1.0
55.01861	2.5
55.05501	5.2
63.21251	0.9
65.03925	1.1
67.01839	1.0
67.05508	13.5
69.03429	9.3
69.07076	4.8
70.04073	1.1
70.49834	2.2
79.05509	4.1
81.03444	0.9
81.07063	4.4
83.04972	3.1
83.08594	1.2
84.34867	0.9
88.72624	0.8
90.64310	0.7
91.05492	7.4
93.03405	1.0
93.07049	7.1
95.04947	2.5
95.08605	25.9
97.10146	1.3
103.05445	2.5
105.03393	1.1
105.07022	12.5
107.04957	28.5
107.08578	2.6
108.05260	2.2
109.06509	2.1
109.10134	0.9
111.04430	2.3
113.05993	1.1
115.05450	2.9
116.06221	1.0
117.07037	2.6
119.04932	4.1
119.08568	3.0
121.02879	1.4
121.06487	3.8
121.10150	1.6
121.18165	0.8
123.08070	16.5
125.09648	1.2
128.06238	5.4
129.06993	3.5
131.04936	5.7
131.08569	6.6
133.06494	10.6
133.10126	4.1
137.05960	1.0
138.06297	1.9
141.06989	3.7
141.09082	1.4
142.07735	1.1
143.08574	11.7
144.05708	3.3
145.06488	6.7
145.10115	3.3
146.07278	1.6
147.04419	3.7
147.08041	1.9
151.07536	3.9
153.07002	2.0
155.08548	1.2
157.06502	8.1
158.07368	1.2
159.08061	22.0
159.11670	1.4
160.08293	0.8
161.05960	2.4
161.09637	10.9
165.07034	1.0
167.08508	0.9
169.10083	2.2
171.08043	4.7
171.11684	0.8
173.05981	2.6
173.09610	1.3
174.06781	13.7
175.07549	1.7
178.07800	1.0
179.08537	4.2
181.06462	2.4
182.07246	2.0
183.08037	4.0
185.06006	2.9
185.09631	1.1
187.07549	2.7
187.11218	1.8
189.09113	100.0
190.07863	1.1
190.09453	3.3
194.07269	1.0
195.07997	1.2
197.05937	1.0
197.09674	7.0
199.07538	1.1
203.10667	1.8
207.08029	3.9
210.06758	1.0
215.10732	9.8
221.09607	1.9
223.11192	1.1
225.09082	5.2
233.09630	1.6
234.10365	0.8
236.08160	0.9
237.09093	0.9
238.09821	1.5
239.07176	1.2
241.08534	1.9
249.09077	1.5
249.12849	1.0
253.08591	20.9
253.15800	1.1
254.09244	1.6
263.10770	1.1
263.14243	4.0
265.16144	0.9
267.13757	1.0
276.11377	0.9
278.49081	0.9
281.12378	1.6
281.15384	17.5
291.13821	9.8
291.19427	5.0
298.28397	0.9
309.14850	38.1
309.20520	2.1
310.15259	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1855
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
53.03951	1.4
55.01870	3.7
55.05516	5.5
56.05024	1.8
56.96554	0.8
57.03422	1.9
57.07084	0.8
67.05180	0.6
67.05506	8.1
68.05817	1.0
69.03440	5.1
69.07060	2.2
69.63445	0.5
70.04078	5.8
70.06578	2.3
71.04990	6.7
71.58883	1.0
76.02232	3.0
79.05492	14.3
79.05954	0.7
80.05034	1.6
81.03411	1.5
81.07058	18.4
82.02941	1.3
82.06582	1.8
82.07377	1.7
83.08635	1.4
84.04488	1.7
91.05471	5.6
93.07042	17.9
94.07336	0.8
95.04956	2.9
95.08062	0.7
95.08612	9.0
96.04484	4.3
96.08125	4.2
96.08916	1.7
97.06521	1.9
97.10165	0.7
98.06034	3.8
98.97554	1.2
99.04437	2.7
101.27462	0.6
104.99534	0.6
105.07005	4.4
107.04959	3.3
107.08601	5.5
109.06519	2.3
109.10183	2.7
110.10484	1.2
116.07082	1.0
116.98657	0.8
119.08584	2.3
121.06503	2.6
121.10134	5.9
122.09646	0.8
122.10468	0.9
123.04373	0.7
123.08039	1.0
123.11733	3.1
124.07589	7.2
126.05502	5.3
126.10054	0.6
127.82838	0.6
129.07047	0.7
131.08565	3.4
133.06441	1.2
133.10078	1.9
137.13310	0.7
140.07082	0.9
142.04990	0.7
142.08646	1.1
144.06563	0.8
147.08020	0.7
147.11688	1.3
149.09618	14.9
150.09023	0.9
151.11195	1.4
162.02274	1.1
164.14365	1.7
175.11185	3.7
177.00743	0.7
179.04933	0.8
189.09097	0.8
192.13799	1.9
198.18890	0.6
219.08002	0.8
228.50548	0.6
243.08803	1.1
280.19196	4.0
281.11472	0.6
285.07639	0.6
290.17825	2.4
308.18549	100.0
309.11392	1.2
309.15146	1.1
309.18640	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	308.1855
Annotation	6-Hydroxydendroxine
Peak:m/z	Relative Intensity
50.45607	1.1
55.01862	3.6
55.05503	7.2
57.03195	1.0
57.03438	13.5
67.05484	1.7
70.04069	1.4
70.72250	4.3
71.04596	1.8
71.04991	31.5
79.05476	1.5
80.05005	4.3
81.07064	1.9
82.06580	8.3
82.07346	1.2
83.04926	1.2
91.05478	3.1
91.49261	1.1
93.05797	1.9
93.07048	4.1
94.06020	2.1
94.06570	27.0
95.04983	1.2
95.08607	1.9
96.08135	1.7
97.89272	1.1
98.06042	1.5
99.04459	8.5
105.07027	1.7
106.06579	3.3
107.07314	3.8
108.08115	2.6
111.04462	2.3
113.25505	1.0
117.05734	1.3
117.07021	2.2
118.06538	4.0
118.07371	0.9
119.07291	1.0
119.08588	3.7
120.08121	12.1
121.06557	1.9
121.08932	2.2
122.09666	15.8
130.06491	1.5
131.07272	1.5
132.08086	7.8
133.08900	1.1
134.09660	18.6
135.10434	2.8
136.11209	38.0
138.09114	9.6
144.08092	2.3
145.08945	2.7
146.09651	6.3
146.10660	1.1
148.07550	2.1
148.11137	1.3
150.09146	19.2
157.10101	1.7
158.09679	3.9
159.10449	1.4
160.11234	3.1
162.09163	3.0
166.08727	1.5
172.11191	2.3
174.09125	2.6
174.12741	7.9
176.10713	4.2
178.08672	5.4
180.10205	1.6
184.11198	1.2
188.10738	2.2
188.14417	1.3
190.12245	3.4
191.09361	1.4
191.13055	2.3
192.10211	10.6
192.13837	29.8
196.09653	1.4
202.12160	1.8
204.10240	2.4
204.13916	1.8
216.13797	2.6
218.11832	8.3
220.13303	21.2
230.11748	1.5
230.15405	2.8
233.14175	1.2
234.14894	5.0
236.12827	25.1
238.14363	2.7
240.25206	1.2
244.17093	1.3
244.83585	1.0
248.12836	34.0
252.15909	2.1
266.13931	7.4
272.16467	4.7
290.17523	46.8
308.18558	100.0
309.18570	2.3
318.29541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
53.64014	2.4
55.01870	23.3
55.05513	51.5
56.96542	3.4
57.03438	12.3
65.03933	2.6
67.05506	68.4
69.03423	6.5
69.07066	31.9
70.04071	6.7
70.65380	5.4
71.04985	10.9
76.02221	2.7
79.05489	68.8
81.03416	13.9
81.07057	76.0
82.07384	2.6
83.04993	13.3
83.08614	36.2
85.06531	3.8
88.51685	2.3
91.05472	47.9
93.07040	49.5
95.04969	29.1
95.08606	42.4
97.06538	28.4
97.10195	21.1
99.08118	4.1
103.05470	2.6
105.07019	40.1
107.04963	33.6
107.08600	54.4
109.06518	33.8
109.10146	20.3
111.04434	3.1
111.08069	12.5
117.07007	15.8
119.08572	30.3
121.02872	7.5
121.06503	26.0
121.10161	22.6
123.08047	14.1
123.11696	6.1
125.09634	25.9
125.20644	2.7
129.07027	5.0
130.07713	3.1
131.04961	2.9
131.08556	22.9
133.06506	2.9
133.10133	26.2
135.04382	2.7
135.08063	20.2
135.11694	12.5
137.09622	10.1
139.11172	4.5
143.08559	5.2
145.06575	3.9
145.10124	25.9
147.08029	3.6
147.11697	17.6
149.05972	2.5
149.09607	28.8
149.13257	7.9
151.11191	7.7
153.09084	6.3
155.08490	5.7
157.10158	5.4
159.07986	5.5
159.11693	10.7
161.09662	6.6
161.13258	8.0
163.07535	33.9
163.11209	20.9
165.09096	5.7
165.12747	5.6
169.10182	3.0
171.11685	5.2
173.09674	5.2
173.11913	2.3
173.13269	8.0
175.11179	5.3
177.09132	3.9
177.12779	6.9
179.10704	3.2
185.13208	2.5
187.11224	3.8
187.14757	3.2
189.11133	4.1
189.12698	3.0
191.14346	4.2
192.82681	2.8
193.12262	3.5
197.13190	4.4
201.12759	5.8
203.12788	10.6
215.18018	4.4
219.13844	13.7
229.12927	2.7
229.19536	6.9
237.14923	6.3
239.17963	6.7
243.17773	2.7
247.20558	5.8
257.19049	16.5
261.18619	4.7
267.09100	3.9
271.16995	5.0
275.20056	100.0
276.20367	3.2
278.26996	2.6
289.17993	38.1
289.21365	4.8
307.09695	4.3
307.19083	17.6
307.22720	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	5.3
55.01861	6.4
55.05513	23.8
56.96560	2.2
57.03419	3.6
57.07062	1.6
59.04990	3.3
65.03916	2.0
65.52811	1.8
65.81882	1.5
67.05177	3.1
67.05507	41.5
69.03419	5.6
69.07072	19.3
69.38264	8.5
69.38692	8.1
70.04065	6.2
70.38446	1.5
71.04996	19.2
71.80019	1.6
73.06540	4.4
79.05065	2.6
79.05495	37.2
79.30027	1.8
81.03412	4.3
81.07063	40.5
83.04957	5.5
83.08624	10.9
85.06557	2.6
87.04473	4.4
87.08109	2.5
91.05480	52.7
93.07045	35.5
95.04970	12.7
95.08604	29.1
97.06532	14.8
97.10168	7.2
99.08068	4.1
103.05478	2.7
105.07037	60.7
107.04932	7.8
107.08591	27.0
109.06517	21.1
109.10160	19.2
111.04453	2.3
111.08058	5.4
117.07027	15.7
119.07806	3.0
119.08592	46.1
121.02879	12.0
121.06503	11.6
121.10133	19.8
123.04421	2.0
123.08052	16.3
123.11668	3.5
125.09632	5.5
129.06998	5.7
131.08559	16.9
133.10127	31.9
135.08084	10.0
135.11673	7.6
137.05989	2.9
137.09622	10.3
139.11133	2.2
143.08548	3.4
145.10109	15.8
147.08015	2.8
147.11699	25.9
149.05966	1.8
149.09645	10.9
149.13237	5.3
151.11189	23.4
157.06448	2.7
157.10097	5.3
159.08058	3.6
159.11699	11.3
161.09648	2.6
161.13208	4.5
162.02129	2.0
163.07530	3.6
163.11171	13.8
165.12785	9.7
169.10098	3.0
171.11684	5.3
173.09711	2.3
173.13271	8.1
175.11209	2.4
177.12688	3.8
179.14262	3.1
181.10225	2.0
183.11615	2.3
187.14714	2.5
189.12708	2.5
191.14401	3.4
197.13255	3.6
213.05405	1.9
213.16412	1.7
214.79659	2.2
215.14384	3.4
226.07602	3.6
229.19450	10.1
230.06818	2.0
233.15413	3.3
239.17982	11.8
240.15303	1.9
243.17476	3.1
247.20583	6.0
249.18452	3.1
257.18930	13.0
261.18594	2.5
271.16998	2.3
275.20065	57.4
276.20502	2.5
289.17966	15.8
289.21176	3.0
307.09631	6.7
307.19052	10.3
307.22644	100.0
308.15036	3.7
308.22910	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	307.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01874	22.5
55.05510	44.6
57.03424	10.1
61.56328	3.0
63.02921	3.1
67.05499	54.0
69.03416	4.5
69.07062	23.0
70.91401	9.3
71.04966	5.6
79.05489	66.5
81.03413	12.1
81.07047	75.2
82.07391	3.8
83.04987	7.8
83.08613	27.8
91.05473	63.1
93.07034	59.7
95.04407	4.9
95.04946	23.7
95.08595	38.6
95.77820	3.0
97.06517	18.8
97.10161	22.5
103.05437	4.5
105.07012	48.4
107.04951	35.7
107.08589	54.2
109.06541	22.2
109.10184	15.4
111.04469	2.9
111.08076	6.4
115.05468	4.1
117.06966	16.5
119.04966	3.8
119.08570	36.2
121.02882	7.7
121.06522	17.9
121.10136	20.9
121.26229	2.8
123.08083	12.8
123.11707	5.5
125.09615	15.9
129.06978	7.6
131.04927	11.3
131.08568	24.1
133.06506	4.1
133.10095	23.5
135.08060	9.7
135.11716	13.8
137.09616	7.0
143.08575	6.9
145.06369	3.8
145.10130	23.9
147.08147	3.5
147.11668	15.9
149.09613	21.7
149.13235	5.9
151.11165	6.3
152.12392	2.9
155.08522	4.1
157.10109	7.0
159.08040	6.3
159.11681	13.6
161.09595	7.6
161.13202	7.2
163.11195	15.1
165.09108	7.6
165.12738	5.1
169.10094	4.5
171.11722	4.8
173.09575	5.1
173.13258	10.7
175.11113	3.4
177.12814	7.3
183.11690	3.1
187.07516	7.1
191.14430	3.4
193.12440	3.2
197.13342	4.2
203.12778	7.0
205.15869	3.4
222.22795	3.2
229.19519	7.4
233.15279	4.5
239.17926	8.7
247.20576	13.6
257.18948	20.2
275.20041	100.0
289.18018	6.3
289.21606	4.2
307.13284	9.6
307.18997	7.7
307.22635	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.6
55.01873	33.8
55.05265	5.1
55.05516	66.7
57.03426	10.5
57.07054	3.8
59.05005	2.8
65.03938	5.3
67.05174	4.9
67.05506	78.2
69.03434	8.5
69.07066	35.8
69.87798	16.1
70.04089	5.3
71.04984	10.1
75.32410	2.4
76.02243	4.1
79.05495	89.0
79.05963	4.9
81.03422	21.1
81.07058	96.3
83.04978	22.9
83.08619	38.7
85.06545	4.6
89.06064	2.8
91.05476	56.8
93.07044	75.7
95.04969	31.6
95.08606	51.2
97.06534	25.0
97.10166	28.0
99.08101	3.7
103.05470	3.8
105.07033	56.9
107.04955	42.0
107.08597	67.2
109.06522	29.2
109.10172	19.7
111.04443	4.0
111.08086	10.8
117.07049	17.1
119.08588	42.9
121.02872	10.5
121.06497	29.5
121.10124	30.6
123.04454	3.8
123.08070	18.1
123.11694	8.5
124.25594	2.5
125.09620	29.6
129.07039	8.0
131.08566	26.6
133.06511	4.1
133.10132	26.5
135.04379	3.4
135.08043	21.1
135.11676	17.8
137.09619	11.8
141.06970	4.8
143.08589	7.3
145.06482	3.2
145.10130	30.4
147.08015	4.4
147.11702	22.5
149.09610	32.3
149.13290	5.0
151.07568	3.4
151.11168	9.1
153.09085	6.1
155.08583	5.3
155.10605	2.9
157.10141	5.7
159.08031	5.1
159.11714	19.2
161.09677	5.3
161.13272	4.1
163.07555	28.9
163.11188	22.5
165.09120	4.9
165.12816	6.7
169.10139	7.0
171.11699	5.3
173.09633	6.9
173.11832	3.3
173.13278	8.9
175.11200	4.5
177.12762	6.8
179.14355	3.3
183.11716	5.4
185.51466	2.9
187.07507	5.3
187.11221	3.1
191.14326	4.4
193.12273	3.6
197.13361	3.3
199.14925	3.3
203.12782	7.5
205.12337	4.1
206.97168	2.6
209.13358	3.0
215.14339	2.9
219.13785	15.4
229.19534	10.8
233.15331	4.9
239.17957	9.3
243.17293	2.8
247.20644	10.2
257.19040	17.5
257.21414	3.6
261.18402	4.1
271.17004	4.7
275.20071	100.0
285.10156	3.6
289.17981	34.2
289.21338	6.9
307.19009	18.6
307.22702	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
53.67265	2.7
55.01871	10.1
55.05504	28.8
57.03429	6.9
57.63418	2.8
58.73028	2.6
67.05505	44.0
69.03431	3.2
69.06723	4.1
69.07069	48.1
69.95876	7.7
69.96288	6.0
70.04088	5.6
71.04983	3.7
79.05491	93.3
81.03424	8.5
81.07053	48.0
83.04980	5.9
83.08639	8.2
85.02917	3.4
85.06554	3.6
91.05468	48.9
91.49860	2.9
93.07046	70.6
95.04964	24.3
95.08607	40.1
97.06516	14.9
97.10166	6.8
105.07031	39.3
106.07354	2.8
107.04951	79.2
107.08604	40.9
109.06516	8.5
109.10139	14.2
111.11699	3.1
117.07019	9.4
119.08568	37.3
120.32732	2.6
121.06506	4.3
121.10144	48.6
123.08024	4.5
129.07008	3.1
131.08577	21.3
133.10126	28.4
135.08044	62.2
135.11679	6.8
137.09579	3.4
139.11198	26.3
143.08543	3.4
145.10167	15.8
147.08080	3.6
147.11678	16.1
149.09608	19.8
151.11156	3.9
159.11714	8.9
161.13396	4.5
163.11220	4.9
171.13811	4.8
173.13239	4.1
177.12819	3.8
191.14252	5.6
217.14330	22.7
229.19601	4.6
239.18031	3.9
247.20532	7.1
251.07101	14.1
257.18994	12.6
275.20062	100.0
276.20450	5.8
277.07019	3.3
299.94733	3.0
307.13290	3.6
307.22772	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.8
55.05516	36.4
57.03431	4.9
67.05504	97.8
69.07059	25.2
69.63406	3.9
69.63734	30.9
71.05004	9.0
79.05495	59.2
81.03414	17.9
81.07059	64.7
83.04987	11.0
83.08618	13.0
85.06540	8.6
91.05480	55.5
93.07044	46.1
95.04985	21.2
95.08614	48.3
97.06527	7.2
97.10164	6.3
98.21484	6.6
105.07027	67.6
107.04950	11.0
107.08614	28.8
109.06494	10.2
109.10150	33.6
117.06989	20.0
119.08589	49.4
121.06509	7.8
121.10168	27.0
121.64204	3.7
123.08070	20.5
123.11725	5.9
125.09645	9.9
127.26759	4.1
129.07001	6.0
131.08582	31.3
133.06482	8.1
133.10139	46.4
135.08064	9.7
135.11763	7.7
137.09641	24.0
145.10126	17.0
147.11700	29.7
149.09604	20.5
151.11169	9.9
157.10208	6.2
159.11710	19.0
161.13239	8.7
163.11118	6.2
165.09097	4.5
171.11623	5.4
173.13261	15.7
177.12788	9.4
187.11177	5.5
187.14879	5.2
225.72105	4.6
239.17935	6.9
247.20564	13.0
257.19012	11.3
275.20041	100.0
276.20364	5.2
307.22733	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03709	5.2
53.03951	13.6
55.01867	68.3
55.05513	69.1
57.03438	29.8
67.05499	70.2
67.53790	5.1
69.07069	47.3
69.36054	60.8
69.36405	8.9
76.87650	5.5
77.61662	5.3
78.38497	5.4
79.05492	100.0
81.03426	23.0
81.07057	85.7
82.07867	5.4
83.04984	18.9
83.08617	23.9
85.06554	9.3
91.05482	72.2
93.07046	65.7
95.04965	20.8
95.08608	45.8
97.06534	88.8
97.10174	29.0
105.07041	74.5
105.19669	5.5
107.04955	35.6
107.08594	72.4
109.06534	20.5
109.10173	18.8
117.07047	27.2
119.08576	54.5
121.06527	11.9
121.10152	23.4
123.11797	11.1
125.09622	39.4
131.08580	32.2
133.10135	38.6
135.08069	16.5
135.11697	20.0
137.09631	9.0
141.07071	5.7
145.10118	25.1
147.11696	20.4
149.09615	50.6
149.13272	8.7
153.09070	14.3
157.10197	6.6
159.11678	27.4
161.13312	9.2
163.11250	8.0
168.41754	5.4
173.13318	7.6
177.12679	6.7
179.14323	12.9
191.45218	5.9
203.12753	23.3
203.14412	12.6
219.17415	86.4
220.17830	6.1
229.19403	8.0
247.20717	6.0
257.18973	12.6
275.20074	81.8
307.22562	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.65203	2.6
53.03957	6.0
55.01873	15.0
55.05514	33.6
57.03450	5.4
61.61512	2.8
65.17952	2.8
67.05169	4.8
67.05505	66.2
69.03427	2.9
69.07067	28.7
69.93315	8.0
69.93733	7.4
71.04996	4.4
72.87183	2.3
73.59164	2.7
79.05068	3.3
79.05495	49.4
81.03407	8.4
81.06580	6.1
81.07056	98.6
83.04981	6.6
83.08601	12.1
85.06507	4.9
86.97521	2.5
87.63766	3.1
91.05480	43.5
93.07050	47.0
95.04974	43.1
95.08607	47.6
97.06506	12.4
97.10178	6.1
105.07032	50.6
107.04966	9.8
107.08595	36.0
109.06519	25.6
109.10177	17.0
111.08060	7.1
117.07046	14.1
117.13660	2.5
117.56049	2.7
119.08591	42.2
120.56519	2.6
121.06492	6.0
121.10146	22.9
123.08083	22.1
123.11690	7.8
129.06976	3.4
131.08568	20.7
133.10129	32.3
135.08112	6.5
135.11650	8.0
137.09618	14.5
141.06989	4.1
145.10124	16.2
147.11693	29.8
149.09615	10.7
149.13220	5.5
150.98001	3.0
151.11157	7.8
155.08543	3.5
157.10242	4.1
159.11700	14.6
161.13261	8.3
163.11165	7.0
164.11543	3.3
165.12756	5.8
171.11763	3.3
173.13251	16.1
175.11320	3.5
177.12767	7.4
183.11642	4.0
187.14857	3.5
203.67099	2.9
207.13835	3.3
219.17534	2.5
229.19426	6.1
239.18065	3.9
246.71025	3.3
247.20517	13.8
257.19055	9.3
275.20071	100.0
276.20340	4.3
289.21500	9.4
304.69632	3.2
307.22607	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33315	2.5
53.03929	4.0
55.01674	2.7
55.01878	30.6
55.05265	3.4
55.05510	44.7
57.03434	7.2
57.07061	4.6
65.03937	5.6
67.05503	63.9
69.07070	22.0
71.04984	3.8
71.32759	4.6
76.57203	3.1
79.05493	77.8
81.03419	7.2
81.07059	79.0
83.04974	15.1
83.08622	16.8
84.34641	2.8
85.06531	4.9
87.26874	2.8
91.05478	54.5
93.07045	56.3
95.04983	17.4
95.08605	34.6
97.06528	25.5
97.10166	20.0
105.07036	57.3
106.82893	2.6
107.04976	26.2
107.08588	75.9
108.54323	2.8
109.06537	20.7
109.10160	32.0
111.08060	6.3
117.07001	13.6
118.76515	2.6
119.04953	2.3
119.08582	30.2
120.78289	2.8
121.06487	6.2
121.10138	19.8
123.08050	10.4
123.11714	8.0
125.09608	27.8
129.06975	3.9
131.08572	17.1
133.10130	40.2
135.08043	11.9
135.11691	10.5
137.09627	7.1
141.07045	2.8
143.08563	3.8
145.10129	21.5
147.11684	20.5
149.09616	34.7
151.11159	22.0
153.09061	3.2
157.10132	5.9
159.11682	12.2
161.13231	7.5
163.11186	7.5
165.09155	5.3
169.10135	5.6
171.11687	6.9
173.13242	7.0
179.14261	3.3
183.11668	4.6
187.07578	27.1
187.11130	6.3
191.10913	3.0
191.49806	2.8
197.13303	3.8
203.12805	12.5
208.69960	3.0
229.19525	7.0
231.25044	2.9
239.17969	7.0
247.20607	11.8
257.18918	17.3
275.20056	100.0
276.20322	5.4
289.21570	6.4
307.22687	19.7
307.28308	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38137	1.5
52.95535	1.5
53.03953	2.3
53.66337	1.4
55.01880	9.9
55.05512	44.5
56.57473	1.6
57.03417	3.1
59.05005	1.9
61.07435	1.7
65.03953	2.4
67.05502	33.4
69.03418	4.1
69.07060	17.0
69.96637	8.7
70.04065	2.0
71.05020	2.5
79.05491	59.2
81.03410	3.1
81.07057	32.4
83.04967	7.2
83.08617	15.3
85.06539	2.5
91.05483	34.2
93.06483	1.9
93.07050	32.3
95.04984	9.6
95.08616	16.8
95.75736	1.5
97.06518	11.7
97.10165	28.0
98.18689	1.7
105.07031	35.5
107.04949	16.1
107.08590	100.0
108.08919	2.0
109.06506	11.5
109.10138	13.0
111.08072	3.6
117.06985	10.4
119.08577	18.5
121.06474	3.3
121.10152	12.3
123.08048	4.7
123.11671	2.5
125.09628	35.5
129.06999	3.0
131.08571	12.5
133.10138	18.9
135.08037	12.8
135.11684	6.9
137.09627	2.9
139.30611	1.7
145.10101	21.4
147.11699	18.3
149.09615	33.0
149.13216	2.3
151.11119	2.5
153.09076	8.7
155.08490	2.4
157.12236	4.3
158.65422	1.6
159.11708	8.4
161.13251	6.1
163.11185	3.8
169.10197	1.8
171.11653	2.5
173.13220	4.0
177.09119	1.8
183.11757	2.1
183.78905	1.7
185.13277	1.9
187.07567	2.1
197.13176	2.4
200.06769	1.7
203.12766	22.7
203.64914	1.6
229.19495	3.3
239.17891	6.9
247.20555	3.5
257.19101	10.1
275.20050	70.5
276.20386	2.1
289.21536	9.3
307.22672	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.7
55.01868	24.3
55.05513	38.1
55.44653	4.1
57.07071	6.1
65.00964	4.3
67.05504	71.3
68.65631	3.6
69.07081	23.6
69.80852	25.8
70.04075	8.1
71.04980	4.3
71.08626	7.3
73.10707	4.0
74.50760	3.7
79.05493	62.7
80.18785	3.8
81.03418	9.6
81.07055	75.8
83.04977	14.0
83.08609	16.1
85.06524	10.1
91.04972	4.8
91.05482	49.0
93.07044	63.7
95.04974	35.8
95.08615	45.6
97.06544	35.8
97.10154	20.0
99.08093	8.8
99.20654	3.5
105.07037	45.1
107.04966	26.8
107.08603	62.3
109.06504	20.4
109.10156	18.7
111.08100	5.8
117.07008	19.2
119.08576	37.0
120.16600	3.7
121.02905	8.3
121.06504	15.2
121.10155	27.8
123.04501	4.3
123.08080	14.9
125.09643	20.2
129.06982	6.7
131.08572	26.6
133.06445	6.7
133.10123	30.4
135.08057	15.0
135.11697	16.8
137.05957	14.0
137.09642	10.2
138.06345	9.5
143.08611	4.3
145.10133	22.5
147.08029	5.5
147.11688	16.7
149.09650	28.5
149.13327	5.8
151.11200	31.5
152.11519	4.5
155.08514	5.4
157.10155	5.6
159.08044	4.9
159.11719	24.3
161.09650	7.9
161.13243	9.2
163.07521	25.0
163.11214	11.9
165.09068	7.7
165.12787	10.7
169.10037	5.8
171.10254	5.5
171.11679	6.3
173.11787	5.5
173.13289	12.2
177.12718	6.3
183.11711	4.5
185.13274	4.1
187.07593	12.1
187.11162	5.1
187.14784	4.9
191.10718	5.6
197.13271	4.8
203.12802	5.4
207.11601	4.3
213.16541	4.5
215.18140	4.4
219.17488	7.0
229.19550	6.5
243.17462	4.9
247.20538	12.1
249.16267	5.7
257.19052	17.6
265.19791	4.4
275.20062	100.0
276.20490	5.8
289.18060	24.7
289.21451	6.7
307.19641	8.3
307.23135	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	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01865	8.5
55.05265	1.9
55.05512	31.6
57.03434	9.7
57.07056	2.6
58.77639	1.0
61.40112	1.2
62.03419	1.1
65.03928	1.2
67.05505	24.1
69.03419	3.8
69.07072	16.0
70.21163	1.2
70.88187	4.1
71.04983	1.8
76.02211	1.4
79.05492	18.3
81.03433	3.6
81.07056	46.9
83.04980	2.9
83.08620	13.1
85.06529	2.1
91.05479	17.4
93.07040	17.5
95.04990	10.7
95.08609	43.6
97.06538	7.7
97.10171	16.7
103.05493	1.6
105.07029	10.1
107.04935	6.7
107.08588	13.4
109.06500	8.3
109.10156	20.8
111.08091	2.5
117.07038	3.6
119.08575	8.4
121.06504	100.0
121.10143	7.5
123.08067	3.5
123.11695	11.2
125.09663	9.5
129.07034	4.0
131.04904	2.0
131.08562	4.0
131.68765	1.3
133.10141	4.4
135.08061	7.1
135.11679	4.9
137.06064	1.2
137.09625	6.2
137.13266	4.7
139.07628	1.4
139.11153	1.3
141.07018	1.3
145.06509	1.6
145.10117	4.1
147.08020	7.3
147.11713	2.8
149.09596	1.4
149.13280	2.9
151.07529	2.5
151.14825	3.0
155.08667	1.3
157.10092	1.9
159.08047	27.5
161.09651	4.2
161.13295	2.6
163.07568	2.3
163.11124	1.6
163.14766	2.6
169.10170	2.2
173.09601	1.5
173.13286	1.7
175.11211	2.4
185.09581	3.4
187.11237	2.5
189.09109	1.4
189.11229	1.6
191.14354	1.8
197.09517	2.1
197.13264	2.0
199.11308	1.4
203.05753	1.2
215.14302	1.9
225.16373	1.4
233.15353	2.7
243.17499	2.3
251.07117	1.9
253.15877	5.2
261.18576	2.5
271.16898	7.1
289.14999	2.1
289.17996	23.8
289.21216	1.3
302.32089	1.2
307.13074	2.2
307.19040	4.9
307.23218	1.7
307.26178	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03931	11.6
55.01871	18.2
55.05508	79.8
57.03444	37.3
60.58526	6.5
61.23763	7.1
65.03947	11.1
67.05503	70.9
69.03403	13.9
69.07069	29.0
69.44238	70.0
71.04994	12.3
72.40632	7.1
79.05492	73.3
81.03422	9.8
81.07058	47.4
83.04973	29.6
83.08611	35.1
85.69612	8.9
91.05476	61.8
93.07062	44.0
95.04968	31.5
95.08602	40.3
97.06519	7.9
97.10170	41.7
105.07030	32.4
107.04946	44.8
107.08595	40.0
109.06529	33.2
109.10146	26.4
111.08075	7.6
112.95990	6.7
113.77854	7.6
117.07011	15.1
119.08578	35.9
121.02867	13.1
121.06504	34.5
121.10166	19.6
123.08074	16.8
125.09631	26.6
129.07016	12.9
131.08549	25.0
133.06482	8.5
133.10159	20.1
134.75269	6.9
135.08072	28.5
137.09616	14.9
141.14029	7.4
143.08589	13.3
143.50589	7.2
145.10109	21.6
147.08073	12.6
147.11656	8.4
149.06035	9.3
149.09644	14.7
151.07507	8.1
153.09071	12.6
155.08604	7.9
157.10091	17.5
159.08076	56.2
159.11720	15.1
161.09679	7.9
163.07361	10.0
169.10153	15.1
171.11813	14.4
173.09651	14.5
173.13283	16.8
175.11240	9.6
187.07579	27.9
189.11246	13.2
197.13222	12.4
199.11192	9.6
207.11711	12.6
215.14323	13.0
233.15393	18.6
243.17432	9.2
261.18604	11.4
271.16940	28.0
275.19998	14.1
289.17975	100.0
307.19186	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
53.03934	17.8
55.01863	15.6
55.05508	43.3
55.26339	3.1
56.84865	3.8
56.96534	3.3
57.03427	20.0
59.45895	4.3
60.52834	3.6
63.23600	2.9
65.03926	8.3
67.05506	55.8
69.03419	5.0
69.07069	18.1
70.04086	6.6
70.22279	17.5
71.04984	8.2
76.02206	4.2
79.05492	62.4
81.03407	16.0
81.07054	59.0
83.04975	15.3
83.08619	19.6
85.06533	8.4
88.07591	3.5
91.05477	70.8
93.06477	5.5
93.07044	97.2
94.06539	4.1
95.04970	45.3
95.08603	55.0
97.02917	4.6
97.06544	7.5
97.10184	21.7
98.21490	4.5
99.04437	6.2
103.05445	12.4
105.07020	43.0
107.04952	28.5
107.08593	33.0
109.06502	16.4
109.10137	22.0
111.04465	4.2
111.08057	7.7
115.05437	5.3
116.06187	3.4
117.06991	22.4
119.04914	3.6
119.08575	30.7
121.02863	51.7
121.06510	69.1
121.10148	17.8
123.04459	5.4
123.08049	15.4
123.11677	7.3
125.09603	13.7
129.06998	9.6
131.08582	23.1
133.06459	20.6
133.10139	17.2
135.04395	6.5
135.08066	32.1
135.11679	6.0
136.11189	4.1
137.05896	4.4
137.09627	24.3
143.08540	6.1
145.06485	7.4
145.10106	11.9
147.08047	15.0
147.11667	8.2
149.05968	12.4
149.09634	23.3
151.07542	8.0
153.09151	6.9
155.08540	5.6
157.10191	7.9
159.08032	12.9
159.11682	6.5
161.09596	8.2
161.13179	4.5
163.07541	48.0
163.11227	4.2
167.10620	7.3
169.10129	4.3
171.08072	4.1
173.09584	7.7
175.11168	6.3
177.09093	7.9
187.07600	4.9
187.11122	4.4
189.11203	6.2
191.10780	6.8
195.10182	7.5
233.15392	12.2
243.17484	6.8
253.15996	4.3
261.18454	12.9
271.16943	14.4
289.17975	100.0
290.17834	6.3
307.13113	4.7
307.19012	47.0
307.22394	5.6
307.26465	6.0
308.18588	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	307.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01871	7.8
55.05510	14.5
56.96557	5.9
57.03434	18.5
57.07050	2.1
65.03927	2.3
67.05502	24.9
69.03413	4.8
69.07068	11.7
70.04070	3.1
70.19879	5.2
71.04979	5.2
74.14943	1.8
76.02214	3.2
77.03904	1.2
79.05068	1.7
79.05492	21.0
79.84133	1.2
81.03414	34.2
81.07050	34.5
81.49790	1.4
83.04969	4.6
83.08618	5.8
84.04503	2.8
84.96015	1.8
85.02866	3.3
85.06522	5.5
91.05470	24.7
93.07044	25.2
94.06583	1.4
95.04965	36.2
95.07994	1.5
95.08598	28.2
97.06535	4.6
97.10168	6.1
98.97588	4.1
99.04438	1.6
103.05485	2.3
105.07021	17.4
106.06519	2.8
107.04951	100.0
107.08591	12.1
109.02947	1.5
109.06510	31.7
109.10155	14.1
110.97556	1.8
111.08016	2.6
113.06001	12.6
115.05448	2.1
116.98616	3.9
117.07018	10.4
118.06557	2.1
119.04912	6.7
119.06874	1.9
119.08573	15.5
121.02831	1.5
121.06498	27.9
121.10151	7.4
123.04414	2.7
123.08047	14.1
123.11696	5.1
124.07567	4.7
125.09608	3.8
128.06181	3.3
128.98650	1.8
129.07025	6.7
131.04907	4.0
131.08580	10.6
133.06499	5.2
133.10120	6.1
134.99670	5.8
135.04457	2.0
135.08051	12.6
135.11714	3.3
137.05992	2.5
137.09599	5.2
137.13274	2.7
138.09009	1.4
141.06975	1.7
142.07809	2.0
143.08556	4.7
145.06480	4.1
145.10123	5.4
146.99626	2.9
147.04408	4.1
147.08037	15.1
147.11664	3.8
149.05974	7.9
149.09579	3.3
149.13315	1.5
151.07498	4.4
151.11087	1.8
153.06985	1.8
153.09100	3.3
155.08513	2.5
155.13052	1.3
157.10127	5.5
159.08095	6.6
159.11646	2.0
161.01189	1.8
161.09612	5.2
161.13213	2.8
162.02219	2.0
162.09138	1.6
163.07553	4.0
163.09647	2.8
163.11133	2.3
165.09102	29.3
169.10086	2.4
171.08101	3.8
171.11674	6.1
173.09622	4.3
175.11169	7.9
177.09061	2.2
179.10626	2.0
185.09622	1.6
187.07462	1.8
187.11194	1.6
189.09100	19.7
189.12749	4.1
191.10672	6.4
199.11189	5.2
205.12201	1.7
213.09088	2.2
215.14389	1.5
216.03876	1.8
217.12273	11.2
219.01736	4.9
219.08052	1.8
231.15706	3.9
233.15314	11.0
235.13268	34.8
237.02710	7.0
243.17696	1.5
247.14456	2.9
251.10670	1.7
253.15765	2.1
261.12845	1.6
261.18484	1.9
271.16934	4.7
289.17923	24.7
307.09610	3.8
307.13248	4.8
307.21365	17.8
307.26334	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	307.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14266	0.3
55.05511	0.5
56.05034	1.9
56.20926	0.3
56.96562	0.6
58.06601	3.4
67.05495	0.6
69.07059	0.5
70.04066	0.8
70.06587	0.7
71.03746	0.4
71.38578	0.5
74.02448	0.4
79.05494	0.5
81.07072	0.8
84.04504	22.5
84.08143	100.0
85.02884	0.6
85.08466	0.7
86.06063	5.4
86.09705	6.2
88.03985	0.9
91.05478	0.4
95.04968	0.4
96.04491	0.5
99.09193	0.7
108.04534	0.6
109.10162	0.5
114.12791	0.4
117.89117	0.4
122.06005	0.6
123.04405	2.9
128.67023	0.4
130.05042	0.7
130.06522	16.5
130.08644	1.4
131.06851	0.7
132.04442	4.4
132.08112	0.5
132.95894	0.7
133.02858	0.4
135.04443	0.4
140.03424	0.6
140.07085	0.6
141.13872	6.3
142.03201	0.5
146.06010	1.6
147.04422	0.8
150.96968	1.0
151.11121	0.5
155.03436	1.0
157.07617	15.9
158.06020	14.9
158.97433	0.4
159.06378	1.0
159.09196	1.8
159.19841	0.4
159.93745	0.4
160.07613	0.5
163.03931	0.9
168.06601	0.5
169.13365	8.2
175.08656	6.1
179.03352	0.4
185.07187	1.3
198.11307	1.4
199.08597	0.5
203.08202	3.3
215.13908	32.9
216.10442	0.4
216.14255	0.9
227.08286	1.2
234.99187	0.5
236.69868	0.5
243.07639	1.9
243.17046	45.1
244.17429	1.3
245.09296	1.7
261.08701	3.6
262.11111	3.1
271.07196	1.1
289.08249	1.9
307.16873	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	307.1539
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
53.03922	1.0
55.01836	2.2
55.05505	4.3
55.53604	0.6
56.96539	0.5
57.03418	0.9
57.07046	0.9
59.04969	1.0
59.98350	0.5
65.03931	2.7
67.05506	6.4
68.99772	0.7
69.03407	0.9
69.07069	4.6
70.01190	2.6
70.04055	1.2
71.04992	2.5
76.02185	2.0
79.05488	4.0
80.67197	0.4
81.03391	1.1
81.07050	9.8
81.77679	0.5
83.04947	1.8
83.08578	2.4
84.04473	1.3
84.53712	0.5
85.02854	0.7
85.06524	1.0
91.05476	4.4
93.03361	1.5
93.07040	6.5
93.54136	0.5
94.06521	1.4
95.04968	4.5
95.08070	0.5
95.08604	6.7
97.02891	0.5
97.06509	2.4
97.10199	2.4
105.07027	4.1
106.30326	0.6
107.04971	3.2
107.08601	4.1
109.06487	2.1
109.10152	5.9
111.04445	3.8
111.08049	0.8
114.09146	0.6
117.07000	1.4
119.04954	3.2
119.08593	3.2
121.02844	3.4
121.06484	2.0
121.10146	3.9
123.04388	1.2
123.08012	1.9
123.11674	3.2
125.09605	1.1
129.06927	1.0
130.04967	0.8
130.06493	0.7
131.04915	1.5
131.08490	1.6
133.06487	1.0
133.10107	1.4
135.07996	1.2
135.11708	3.1
137.13280	0.6
139.03896	9.6
139.11224	2.8
143.08545	0.7
145.04860	0.5
145.06462	0.9
145.10083	1.2
147.04401	0.5
147.08073	1.1
147.11638	1.1
149.05949	0.6
149.09592	0.7
149.13263	1.2
150.03136	0.6
150.13477	0.5
151.03862	2.7
151.07518	0.9
151.11174	0.6
153.12721	2.3
154.02597	0.5
157.06412	0.6
157.10057	0.7
159.08072	1.1
159.11690	1.0
161.13228	0.6
163.03920	0.9
163.07518	0.7
163.14751	0.9
167.03398	100.0
168.03696	2.8
173.09601	0.9
175.07587	0.8
175.11201	0.5
179.04803	0.7
181.04982	1.0
181.71933	0.5
183.02911	0.9
185.09464	0.5
187.07492	0.9
189.11214	0.8
191.03474	0.7
193.04919	1.1
203.06976	3.0
205.05009	1.8
205.19556	0.6
213.09116	1.3
219.10025	2.5
233.08066	1.0
264.07776	0.7
266.13828	0.5
271.16931	1.1
271.24133	0.5
278.09186	0.7
289.14508	3.5
289.18051	1.6
289.25412	0.8
307.09781	1.6
307.15503	39.0
307.18518	1.9
307.26620	6.4
308.15796	1.4
308.18820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01857	0.4
55.05501	0.7
57.07059	0.2
59.05005	0.5
65.03939	0.2
67.05506	0.7
69.03414	0.4
69.07049	0.3
70.04058	0.2
71.58884	0.1
79.05497	0.7
81.03416	0.9
81.07053	0.7
83.04953	0.3
83.08615	0.4
91.05478	4.9
92.05799	0.1
93.07051	0.6
95.04944	0.4
95.08585	0.3
97.06513	0.1
97.10173	0.7
103.05445	0.3
103.68138	0.1
105.03393	0.1
105.07047	0.5
107.04945	0.8
107.08583	0.5
109.02846	0.1
109.06528	0.3
109.10187	0.2
111.04403	0.1
115.05450	1.1
115.18732	0.1
115.44309	0.1
116.06237	1.5
117.07041	0.7
119.04862	0.1
119.08557	0.4
121.02867	0.2
121.06454	0.2
121.10117	0.2
123.04478	0.2
123.08060	0.2
125.09627	0.3
128.06209	0.3
129.07004	1.2
131.04886	0.3
131.08566	3.8
132.05711	0.1
133.06491	0.2
133.10114	0.3
135.08047	0.3
137.09593	0.1
141.06982	1.3
144.05693	1.9
145.06482	0.5
149.09622	0.2
158.07318	0.1
159.04410	3.5
159.08038	3.7
159.11789	0.1
161.06004	0.2
163.07538	0.2
163.11160	0.1
172.05183	1.4
173.09679	0.1
177.05449	0.3
183.11670	0.1
187.07538	100.0
188.07875	1.8
189.04268	0.1
189.11156	0.1
201.09175	0.3
243.17377	0.1
257.19003	0.1
261.18619	0.1
271.16937	0.4
275.20084	0.3
289.17987	1.8
307.13263	3.2
307.18588	0.7
307.22232	0.1
329.52438	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	307.1538
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
52.76991	0.5
53.03946	0.6
55.01862	1.8
55.05502	1.5
56.05023	0.8
56.96566	0.6
57.03432	0.7
57.82335	0.5
58.99571	2.6
65.03922	2.3
67.01856	0.7
67.05508	4.4
68.99804	0.9
69.03423	2.7
69.07056	1.5
70.04053	1.2
70.06592	1.0
70.58137	2.1
71.04989	3.0
76.02223	9.2
76.04008	0.5
78.15788	0.6
79.05487	2.5
81.03417	0.9
81.07056	5.9
83.04964	1.3
83.08620	0.9
84.04507	5.2
84.08117	0.7
84.28935	0.6
85.02880	0.6
85.06519	1.1
87.08053	0.8
91.05482	3.1
93.03416	0.8
93.07032	3.4
94.06527	0.7
95.04945	2.7
95.08615	4.2
97.02937	0.7
97.06526	1.2
98.06053	0.6
102.05569	0.7
105.07027	2.4
107.04947	4.3
107.08577	2.1
109.02890	0.7
109.06499	0.8
109.10162	3.1
111.04433	4.9
111.08062	0.7
115.05428	0.7
116.01675	1.8
117.07030	1.0
119.08576	2.6
121.02044	0.8
121.02843	3.6
121.06525	1.4
121.10136	2.2
123.04411	1.8
123.08016	0.8
123.11665	2.8
129.06964	0.5
130.05002	1.3
130.06522	14.7
131.06998	0.5
131.08563	0.9
132.04459	3.5
133.06480	1.0
133.10097	1.3
135.04398	1.2
135.08102	0.6
135.11688	3.0
137.05952	0.7
139.03885	10.9
139.11195	3.5
142.03194	0.9
144.01117	1.2
145.02831	1.2
145.06363	0.5
145.10130	1.5
146.06006	1.1
147.04404	0.6
147.08044	0.7
147.11736	0.8
149.02370	1.0
149.09598	0.7
149.13312	0.8
151.03893	2.9
152.07063	3.5
153.12729	2.1
154.02603	0.8
155.03366	3.9
157.07602	12.6
158.06006	15.7
158.07301	0.8
162.02206	3.3
163.03899	1.7
167.03397	100.0
168.03720	1.7
175.07552	1.0
175.08723	7.1
175.11020	0.9
179.04898	3.7
181.04907	1.0
183.02855	1.5
191.03305	1.4
192.04196	0.8
193.04935	1.3
201.06564	1.0
203.06909	3.1
205.04953	2.3
219.10210	1.9
233.05833	1.4
233.07982	1.0
243.07715	1.8
261.08826	5.3
289.08392	0.8
289.11478	0.7
289.14374	3.4
289.18027	1.1
291.63281	0.7
307.05966	0.9
307.15405	39.3
307.20010	5.5
308.15598	1.3
313.17126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01862	2.2
63.35891	0.8
64.26009	0.6
69.07074	0.8
70.00768	3.8
79.05492	1.2
80.68633	0.7
84.04546	0.6
93.07005	1.1
94.06550	1.2
98.20880	1.0
105.03306	0.6
106.02965	0.9
107.08598	1.7
108.04521	0.8
109.05273	4.8
112.64314	0.7
122.06003	3.2
123.04429	0.8
124.07602	1.5
135.08038	2.3
136.07542	1.1
140.07048	2.4
141.63312	0.7
145.82588	0.7
146.09660	0.8
148.07576	1.2
149.06027	1.0
151.06287	2.2
160.07590	1.6
163.08652	1.4
167.07002	1.9
168.06573	2.3
172.07568	1.1
173.10675	1.0
174.09174	2.7
177.10277	1.4
178.08647	14.9
178.98151	0.6
182.08015	1.2
184.07602	2.4
186.09174	0.8
187.08722	1.8
188.07043	5.9
198.09123	1.4
201.10182	3.4
202.08673	7.8
204.10181	0.9
205.09724	5.6
206.08138	3.0
212.07043	1.1
215.11826	0.9
216.10242	4.5
219.07675	2.1
219.11252	5.2
220.09627	2.1
226.08626	2.6
229.09749	6.5
230.08141	4.2
235.10780	0.8
243.11298	1.8
244.09578	4.2
247.10809	12.8
248.09109	1.4
261.12286	1.8
262.10739	1.3
265.11835	13.9
267.50504	0.8
271.10770	2.4
272.09177	1.5
289.11829	20.7
307.12888	100.0
308.13135	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	307.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90495	1.0
53.47445	1.2
68.99789	1.9
70.02940	2.8
70.06573	2.4
70.84936	2.1
70.85278	2.3
77.03920	1.2
84.04481	1.5
87.00830	3.4
91.87076	1.1
94.06577	5.4
95.04944	1.2
104.05006	1.4
108.04475	4.2
111.65968	1.1
115.05448	1.8
118.06587	1.9
122.06002	3.4
123.04408	5.2
125.44519	1.1
130.06528	100.0
131.06882	2.5
132.04451	27.3
132.08078	5.9
134.05974	1.3
137.05992	1.9
138.05412	1.7
139.03876	3.9
140.07054	7.1
142.06554	1.2
146.06015	23.4
155.03380	5.0
157.07619	93.8
158.06013	86.5
158.08011	1.6
159.09180	15.9
160.07616	2.8
168.06592	6.0
173.07094	2.9
174.05545	4.0
175.07170	2.3
175.08669	38.3
176.07123	1.6
176.09000	1.6
184.07571	2.3
185.07143	8.4
197.07140	3.6
199.08662	4.9
200.06969	1.5
201.06593	4.9
201.10211	1.4
203.08165	22.8
221.09216	3.1
225.06549	2.1
227.08154	9.3
243.07652	10.1
245.09270	11.6
247.07121	1.6
260.20261	1.2
261.08743	23.0
269.23489	1.2
271.07156	12.8
289.08121	10.5
307.09055	1.7
307.12836	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	307.0813
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.03964	1.1
56.21136	1.0
56.96572	1.1
67.01862	3.5
67.05479	1.4
68.99788	5.2
70.06591	1.4
70.84342	3.1
81.07051	1.1
82.02943	1.2
87.00851	2.3
91.05463	3.2
94.06577	4.5
95.04980	1.4
107.04956	1.5
109.02883	2.0
111.04411	1.3
119.04943	7.8
123.04429	43.0
123.05327	2.3
127.03918	2.3
130.06520	100.0
132.04442	25.8
135.04433	1.4
137.02330	3.0
137.05945	2.0
139.03909	23.5
146.06006	7.1
147.04408	25.2
151.03891	1.9
155.03391	78.1
156.03719	3.3
157.07608	77.5
158.06007	97.7
163.03914	4.3
165.05457	10.9
173.07098	4.8
175.08670	43.6
177.05469	3.3
181.04916	1.1
187.03853	1.1
197.07095	2.3
199.08693	2.8
201.06609	3.4
203.08238	6.3
221.09306	2.9
243.07719	10.1
245.09186	3.2
247.07164	2.5
261.08722	31.2
271.07120	3.2
289.08243	7.5
307.09021	1.5
307.12762	1.6
307.16745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
50.61567	0.9
55.01854	1.4
65.03951	1.4
67.01859	4.9
67.05503	1.1
68.99781	8.0
69.03432	1.2
70.64581	3.0
79.05493	1.9
81.03417	2.0
81.31188	0.9
91.05471	4.5
95.04984	1.7
97.02853	1.2
103.05494	1.2
105.03387	1.1
107.04929	1.0
109.02893	2.5
111.04447	2.3
117.03436	1.0
119.04944	13.5
119.08596	1.2
123.04424	59.5
124.04794	1.0
126.01015	1.1
127.03921	2.6
128.00745	1.0
130.06503	1.7
131.04909	2.7
131.08530	1.2
135.04448	1.3
137.02315	5.1
137.05988	3.6
139.03897	34.1
145.02812	2.4
147.04411	34.8
149.05943	1.4
150.73851	1.0
155.03383	100.0
156.03700	5.6
157.03893	1.1
159.04341	1.0
163.03914	3.8
165.05475	18.2
169.05151	0.9
173.05966	1.5
177.05463	9.1
178.08623	1.2
181.05011	1.2
185.06029	1.2
187.03984	1.4
188.11871	1.4
193.04913	1.1
196.13075	1.0
201.05473	1.6
203.07043	1.3
223.08778	2.1
225.05501	1.2
225.08363	1.7
229.04932	3.0
241.88763	0.9
243.06587	3.2
265.11853	1.3
271.05908	2.5
289.07028	4.6
289.11896	1.5
307.09573	0.9
307.12842	5.1
307.17474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39090	10.8
71.13419	30.4
71.68547	10.4
74.62957	10.8
90.35770	11.0
90.38026	10.0
98.31360	12.0
110.09853	10.9
119.01922	15.5
124.65164	11.4
217.60957	12.0
245.93671	12.5
266.53970	13.1
307.07910	100.0
329.02222	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	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	6.8
56.96579	7.4
67.04706	5.0
70.20238	23.5
76.02231	13.0
76.04002	13.9
84.04501	100.0
85.02893	10.0
85.04057	6.0
98.45110	4.7
116.01714	6.9
127.03921	6.0
130.05022	40.7
130.06534	55.8
131.04619	6.8
132.04434	15.7
157.07645	45.0
158.06026	52.0
159.09189	11.7
161.02975	6.6
175.08691	20.5
177.03299	16.5
179.04831	8.8
185.03842	5.9
185.07114	11.0
186.07597	11.6
218.04695	6.0
231.04449	15.6
235.02039	14.4
243.07748	11.7
245.09303	10.3
257.07755	7.9
261.08868	14.4
271.07169	6.3
307.07260	7.3
307.09998	21.8
307.13046	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	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24654	5.8
56.05032	19.5
56.96565	8.8
69.03437	8.7
69.51934	34.5
69.52338	14.5
70.73451	6.0
76.02197	7.1
76.04002	11.7
84.04506	100.0
85.02921	8.7
85.04014	6.4
87.15080	5.1
88.41837	5.8
97.02885	11.7
98.97617	8.1
99.10019	13.0
114.03769	5.3
114.05507	8.9
117.05785	5.8
119.01888	9.5
127.03854	6.4
130.05003	31.1
130.06522	59.7
132.04456	21.2
145.10533	7.9
146.05925	8.9
157.07596	65.9
157.09923	5.4
158.06024	75.2
159.09158	13.1
160.04259	18.6
175.08681	28.8
177.03267	11.8
185.07077	9.3
186.07622	22.3
187.09935	7.7
203.08113	12.9
218.04842	8.9
220.38371	5.3
227.08199	9.1
231.04453	13.9
233.10303	7.9
235.02046	7.0
243.07841	13.5
244.06705	7.2
245.09238	9.4
261.08731	15.1
261.12012	6.0
289.08255	13.0
307.07831	52.8
307.10263	20.5
307.12936	24.8
307.15878	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	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85219	0.3
53.03925	0.6
55.01853	1.0
55.05268	0.5
55.05517	9.0
55.33640	0.3
57.07066	1.5
65.03934	0.6
66.30389	0.3
67.05505	11.6
69.06724	0.6
69.07072	8.2
70.41666	1.0
79.05490	4.3
81.07058	9.6
82.06549	0.4
83.08617	3.6
85.05301	2.3
86.06065	1.2
91.05476	1.7
93.07066	2.3
95.04958	1.1
95.08612	5.9
97.06554	0.6
97.10172	1.0
98.06060	16.7
99.06857	0.6
105.07020	1.5
107.04955	0.4
107.08598	1.7
109.06536	0.8
109.10145	2.6
110.09663	0.4
112.07607	2.3
117.07035	0.5
119.08582	1.3
123.08071	0.4
123.11716	0.8
125.08367	0.4
126.09166	0.6
131.08559	0.5
133.10143	0.9
135.11694	0.5
137.05974	1.2
138.09167	0.6
140.10727	0.8
145.10147	0.5
147.11681	0.4
149.09610	0.6
152.10646	0.4
154.12271	0.8
155.08466	0.3
164.16248	0.3
168.13774	0.5
182.15396	0.4
187.07550	0.6
196.16969	1.0
208.17001	0.9
212.11659	0.3
222.18536	0.7
236.20201	0.6
275.20020	2.1
306.27917	100.0
307.22687	0.7
307.28183	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	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41677	0.6
58.66982	0.5
62.29395	0.5
65.01614	0.5
69.07055	1.9
69.48688	4.2
72.91262	0.5
74.06080	0.5
76.60027	0.5
79.05477	0.7
81.07070	0.9
91.05441	0.8
93.07115	0.5
94.04186	1.8
95.08619	0.7
107.08570	0.9
109.10112	0.9
122.03658	6.9
133.10118	1.0
135.11681	0.9
137.05978	100.0
151.88219	0.5
153.12714	1.6
170.15390	3.3
182.15440	2.3
234.24271	0.6
239.99950	0.6
269.82382	0.5
306.20844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	9-Demethylprotoemetinol
Peak:m/z	Relative Intensity
55.05513	1.6
56.96562	0.2
57.07057	1.0
58.06579	0.3
61.07976	0.2
62.92435	0.2
67.05488	1.0
69.07073	1.3
69.89970	1.2
70.06586	1.8
71.04948	0.3
71.08624	0.3
72.08147	0.3
75.91022	0.2
79.05476	0.9
81.07056	1.4
82.07368	0.4
83.08607	0.3
84.04512	0.3
84.08128	0.2
86.09694	0.5
88.07623	0.7
91.05473	2.5
92.05000	5.2
93.05770	1.0
93.07032	0.9
94.06549	1.0
94.07367	0.3
95.04964	0.3
95.08586	0.8
96.08973	0.3
102.09196	0.5
105.07037	0.7
106.06544	2.2
106.07208	0.4
107.07305	0.2
107.08598	0.6
108.08903	0.3
109.06471	0.3
109.10146	0.7
117.05750	2.0
118.06535	18.4
119.07334	2.5
119.08567	0.3
120.08093	1.7
120.08822	0.3
121.10139	0.5
122.10475	0.4
130.06525	2.0
132.08080	2.7
132.10229	0.4
133.08833	0.7
133.10110	0.2
134.09624	0.8
135.11668	0.3
144.08072	0.7
146.09631	1.0
146.11798	0.7
149.13275	0.4
156.17448	0.4
160.11212	0.5
162.09131	18.3
163.09915	4.2
164.10690	0.7
176.10692	0.6
177.03314	0.5
200.20091	1.4
202.15878	3.6
230.15390	23.4
231.15697	0.4
244.22696	3.2
262.18051	2.1
288.19608	0.7
306.20624	100.0
306.25775	8.0
307.09506	0.4
307.20981	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	306.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08012	0.2
53.03947	0.6
55.05508	8.0
57.40154	0.2
58.06598	20.0
69.07061	0.3
69.27318	0.2
69.32173	2.4
72.08155	13.4
73.04035	2.3
73.06554	12.5
77.03941	0.3
78.65823	0.2
79.05491	2.8
81.07065	0.4
85.07659	0.3
91.05504	0.2
95.04961	1.8
98.06056	0.3
98.97579	0.3
106.06551	100.0
107.06873	1.7
107.08553	0.3
109.10170	0.3
115.08698	2.7
116.07087	49.8
116.98595	0.3
117.07431	0.6
120.04444	0.3
121.10098	0.4
122.10488	0.2
130.29057	0.2
134.06000	1.3
134.08072	0.2
134.56926	0.2
157.13339	0.6
177.52795	0.2
177.99759	0.2
191.11746	0.4
192.07652	4.1
234.12360	14.6
235.80711	0.2
288.15875	0.2
306.17947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.54639	0.2
55.05506	2.2
58.06599	17.4
70.85690	0.7
72.08150	2.8
73.04025	2.1
73.06558	2.6
76.94778	0.2
77.03943	0.5
79.05070	0.3
79.05492	3.4
81.07046	0.3
85.02884	0.4
86.06077	0.5
95.04964	1.7
99.84298	0.2
102.09163	0.6
105.04505	0.3
106.06551	100.0
107.04928	0.2
107.06922	1.3
115.08687	2.2
116.07085	6.6
120.04486	0.3
121.08872	0.3
124.07587	0.2
126.98141	0.3
134.06010	17.9
149.07170	0.6
176.14346	0.9
183.06888	0.3
191.11784	8.6
192.07645	3.6
206.16615	0.3
217.27158	0.3
234.12361	11.3
266.09167	0.3
306.18076	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	306.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44024	0.3
53.03947	0.5
55.01854	0.4
55.05515	4.7
56.96574	0.4
57.03432	0.5
57.05791	0.4
57.09338	0.4
58.06601	14.9
67.05485	0.8
69.03439	0.5
69.07075	1.7
70.41784	1.5
71.04982	0.4
72.08157	7.6
73.04027	1.3
73.06554	6.9
77.03933	0.4
78.06411	0.3
79.05483	3.9
81.03447	0.3
81.07072	2.2
82.07392	0.6
85.02897	3.9
91.05500	0.8
93.07061	1.9
94.07375	0.6
95.04972	1.5
95.08604	1.6
97.02885	0.4
97.06538	0.7
97.10146	0.3
98.06038	0.4
98.20760	0.4
105.07023	0.9
106.06555	100.0
107.04922	0.4
107.06878	1.5
107.08599	1.6
108.08991	0.8
109.10154	0.7
115.08687	2.2
116.07092	29.8
117.07448	0.4
118.06546	2.2
120.04465	0.4
121.10145	1.0
122.10468	0.6
123.11710	0.5
125.02086	0.3
127.25477	0.4
130.05035	0.5
130.61243	0.4
132.08073	0.5
132.08937	0.4
133.10095	0.5
134.06017	8.4
134.06992	0.6
136.12027	0.5
149.13245	1.0
150.13586	1.1
160.05116	0.6
167.03391	1.4
175.04015	0.4
176.14326	9.5
177.03253	0.8
191.11795	5.2
192.07681	2.9
234.12390	11.1
234.14717	0.7
239.42749	0.4
269.16418	0.4
302.64557	0.4
306.17041	10.9
306.25156	1.1
308.43240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.1
51.02388	0.1
53.03951	0.5
55.01859	0.1
55.05510	8.7
56.96585	0.2
57.05819	0.3
58.06598	21.4
59.06929	0.2
64.00043	0.1
67.05507	0.2
68.85154	0.1
69.03436	0.2
69.07069	0.3
71.58582	0.1
71.58964	0.2
72.08153	14.8
73.04041	2.0
73.06554	12.3
73.07152	0.2
74.09711	0.1
77.03928	0.3
78.04701	0.3
79.05490	2.8
79.35126	0.1
81.07050	0.4
82.07413	0.2
83.08640	0.2
85.07671	0.5
86.06071	0.3
91.05452	0.3
93.07059	0.4
95.04979	1.5
95.08611	0.3
96.08150	0.2
96.08890	0.1
98.06033	0.3
98.97570	0.2
104.04888	0.1
105.04514	0.4
105.07050	0.1
106.06552	100.0
107.06877	1.2
107.08552	0.3
109.10155	0.2
115.08686	2.6
116.07088	50.1
116.98615	0.3
117.07433	0.6
119.08562	0.2
120.04467	0.4
121.10130	0.3
123.08028	0.2
133.10086	0.1
134.06013	1.1
134.08102	0.2
134.99657	0.2
135.11740	0.2
149.07097	0.2
157.13298	0.6
173.89937	0.1
177.03244	0.2
191.11691	0.6
192.07674	4.2
196.32898	0.1
215.49287	0.1
234.12367	13.6
235.12794	0.4
294.33304	0.1
306.18103	0.9
306.25064	0.2
307.18707	0.2
311.64734	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	306.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	100.0
57.49854	1.2
59.99105	9.9
70.72876	2.4
70.73214	2.0
85.07674	1.8
86.06059	16.9
101.69151	1.2
102.03761	2.3
102.99672	1.4
106.06552	56.6
116.05316	47.8
145.04306	12.9
201.08676	2.5
201.10562	51.0
208.05354	2.8
245.69020	1.3
250.10081	3.3
306.16354	2.1
307.22461	1.7
318.23102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03939	4.4
55.05267	2.8
55.05511	37.8
57.03417	4.0
57.07063	4.7
58.27207	1.7
65.03961	2.0
67.05175	2.9
67.05503	35.2
69.03418	3.8
69.07066	40.7
71.04994	10.2
71.08655	2.9
72.24546	1.8
77.03904	1.9
79.05490	35.9
79.82932	1.8
81.07059	100.0
83.04967	8.7
83.08614	13.5
85.06536	4.3
86.14044	1.9
91.05477	25.3
93.07043	86.7
94.07350	2.1
95.04964	11.5
95.08607	75.4
97.06535	10.5
97.10172	23.0
98.21536	3.8
98.97554	2.9
99.04462	2.1
105.07021	33.9
107.08592	83.8
109.06507	10.5
109.10154	42.5
111.08077	8.2
111.11707	5.5
116.98606	2.6
117.07007	6.6
119.08582	28.3
121.06573	2.4
121.10139	57.4
123.08036	7.7
123.11707	20.1
123.73605	1.9
125.09596	10.7
127.07520	3.4
127.11159	4.5
129.06987	2.5
129.09138	1.9
131.08554	7.0
133.10121	20.7
135.04378	2.1
135.11687	41.8
137.09615	6.1
137.13258	5.0
139.11198	3.3
143.08546	3.1
145.10129	7.1
147.11670	23.7
149.05998	3.0
149.13257	77.9
150.13579	2.5
151.11163	13.4
153.12733	5.5
156.75018	2.1
157.10086	3.2
159.11641	9.1
161.13257	12.7
163.11148	4.7
163.14836	18.2
165.12665	2.4
171.11713	2.0
173.13290	5.4
175.14818	7.5
177.12794	4.1
177.16356	7.0
179.14236	2.8
187.14824	3.4
188.94348	2.1
189.16406	8.5
191.14304	2.9
191.17902	1.9
193.15756	3.6
201.16418	3.3
209.15401	2.1
213.16362	1.9
245.15419	2.3
259.24231	2.6
269.22549	5.6
269.84976	2.1
277.25256	3.7
287.23694	10.1
305.17575	2.2
305.21252	4.6
305.24698	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03934	4.4
55.01860	3.3
55.05306	3.4
55.05510	37.0
55.60727	3.3
56.96559	7.5
57.03426	5.3
57.07063	10.4
58.07401	3.3
59.05010	3.3
61.02915	3.2
67.05506	44.3
69.03437	7.5
69.07073	44.3
70.06583	8.5
71.04993	7.4
71.59551	5.6
78.31314	2.8
79.05493	34.0
81.03393	4.1
81.07057	94.7
81.99646	3.6
83.04963	13.5
83.08615	15.5
85.06512	7.7
86.00740	3.1
88.07634	10.3
89.07977	3.9
91.05476	34.3
93.06470	6.9
93.07039	100.0
95.04965	15.5
95.08607	77.3
97.02857	5.8
97.06525	12.0
97.10188	18.7
98.97586	3.9
102.09190	7.4
105.07027	43.5
107.04939	5.1
107.08600	90.8
109.06525	11.4
109.10150	45.0
110.02244	3.6
111.08089	10.0
111.11742	6.6
114.11472	3.6
116.98615	6.0
117.07020	5.4
119.08570	32.0
121.06478	4.1
121.10149	63.9
123.04507	3.8
123.08043	6.0
123.11690	25.4
125.09599	11.5
129.07013	3.8
131.08548	4.1
133.06447	6.0
133.10141	24.3
135.08073	3.8
135.11691	42.9
135.12616	5.6
137.05962	3.8
137.09564	3.8
137.13216	4.1
139.03844	3.0
139.11110	3.8
145.10127	7.1
147.11700	30.7
149.01231	8.8
149.09677	3.7
149.13263	94.3
150.13620	5.2
151.11139	7.3
151.92264	3.4
152.06041	3.2
156.03590	5.2
159.11722	9.2
161.13261	14.3
163.07449	3.2
163.11237	4.0
163.14812	20.5
165.12811	3.7
171.11658	3.7
173.13309	5.9
175.14874	8.6
177.12775	3.4
177.16364	5.2
187.06227	4.4
187.14946	3.9
189.16367	7.5
191.14299	5.1
224.08096	32.2
224.58252	7.8
229.07507	6.2
243.25180	25.6
269.22665	5.0
285.33945	3.1
287.16440	3.4
287.20544	3.7
287.23663	10.7
305.17557	3.9
305.24741	45.6
305.28769	57.8
306.25058	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	305.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
54.47086	1.1
55.01868	7.7
55.05513	15.2
56.45678	1.2
57.03425	4.6
65.03931	4.3
67.05502	58.4
69.03431	3.0
69.07058	6.7
69.87627	3.9
69.88040	2.8
71.04984	1.1
79.05064	2.4
79.05492	30.1
81.03418	3.5
81.07053	28.4
83.04967	9.0
83.08605	2.7
85.06528	3.5
91.05477	24.7
93.07037	21.3
95.04963	100.0
95.08607	12.8
97.06536	4.1
97.10184	1.5
98.20795	1.4
103.05453	1.8
105.07021	16.7
107.04939	14.5
107.08581	13.9
109.06512	26.1
109.10172	2.7
111.08093	3.3
116.06232	1.8
117.07016	7.6
119.08559	8.2
121.06470	8.0
121.10168	6.6
123.08018	5.6
125.09670	1.1
128.06230	1.4
129.07014	5.0
130.07799	1.9
131.08563	13.8
133.06505	6.1
133.10091	5.6
135.08055	19.3
135.11652	5.9
137.05962	4.5
137.09618	2.6
143.08537	6.4
145.06503	1.5
145.10130	10.4
147.08058	7.1
147.11671	2.7
149.09590	6.0
149.13281	3.6
157.10115	3.9
159.11694	3.7
161.09575	5.5
163.07419	1.3
163.11183	3.0
169.10136	2.5
171.11763	2.0
175.11198	2.1
177.12827	2.9
183.11710	1.3
185.13269	2.0
187.11110	3.1
195.11789	1.5
199.14728	1.4
202.16490	1.2
205.12213	1.5
217.15897	4.3
227.17984	2.1
245.18999	1.8
255.17520	1.8
273.18466	23.0
305.21094	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	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96312	1.3
53.03935	5.4
55.01871	13.6
55.05512	29.4
57.03437	19.7
57.07063	4.7
58.06586	1.8
58.88167	1.4
59.04998	1.9
65.03938	8.1
67.05506	74.2
67.37554	1.4
69.03428	7.6
69.06731	1.7
69.07072	20.7
71.04974	2.8
79.05495	67.4
81.03411	7.7
81.07058	52.4
83.04980	13.9
83.08179	1.7
83.08617	11.1
85.06536	9.1
91.05482	61.2
92.05817	2.7
93.06472	3.3
93.07043	53.9
95.04972	100.0
95.08607	28.8
97.06530	9.6
97.10161	5.8
98.06048	1.8
103.05451	4.5
105.07031	44.7
107.04945	23.6
107.08601	35.7
109.06519	42.9
109.10175	10.6
111.08070	6.0
113.79288	1.5
115.05449	6.7
116.06240	3.0
117.07024	27.3
119.04896	2.2
119.08578	30.0
121.06497	13.2
121.10138	18.7
123.04371	2.0
123.08061	6.2
123.11674	1.9
125.09622	5.8
127.03907	11.7
128.06239	4.2
129.07008	15.8
130.07802	2.6
131.07591	2.2
131.08563	34.4
131.55814	1.6
133.06525	11.4
133.10143	19.7
134.66730	1.7
135.08057	63.6
135.11693	11.1
137.05975	6.5
137.09644	4.4
139.03870	2.3
141.06993	3.1
142.07767	4.2
143.08569	20.0
144.09300	2.1
145.06544	2.5
145.10121	29.3
147.08034	19.5
147.11699	8.7
149.05975	1.7
149.09619	18.7
149.13254	6.9
151.03914	4.3
151.11206	3.2
155.08572	3.3
157.10126	18.5
159.08070	4.1
159.11697	16.2
161.09618	20.8
161.13263	2.7
163.07603	3.5
163.11211	7.4
169.10107	3.4
171.11667	9.2
173.09631	2.4
173.13203	3.3
175.11198	5.1
177.12770	3.6
179.03386	4.9
181.10109	2.8
183.11716	4.1
185.09595	1.7
185.13260	5.4
187.11224	4.2
189.12793	5.5
194.11795	3.6
195.11681	4.4
199.11176	3.4
199.14856	4.4
201.12772	3.1
205.12186	1.9
205.96725	1.5
217.15852	16.0
224.84973	1.6
227.17880	4.5
229.15883	1.6
230.09607	1.6
237.16397	5.7
245.19005	9.8
250.18031	3.5
255.17529	9.1
273.18503	77.1
277.21716	1.8
287.16751	1.6
287.20029	5.4
305.06625	2.3
305.21103	49.6
305.24521	2.0
305.30508	3.8
306.27905	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	305.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18216	0.3
53.03921	0.3
55.05510	0.9
56.05055	0.4
56.96558	0.8
57.03437	0.9
59.12832	0.3
59.28177	0.3
59.86912	0.3
62.50759	0.3
65.87172	0.3
67.05508	2.0
69.03407	1.6
69.07072	1.6
70.40866	0.7
70.41267	1.0
79.05486	1.2
81.03398	0.5
81.07047	3.2
83.04955	0.7
83.08603	0.4
84.04044	0.6
84.04506	8.5
84.08142	0.4
85.02905	15.3
86.06055	0.6
87.04466	0.5
91.05466	1.4
91.95780	0.4
93.07024	1.7
95.01339	1.6
95.04954	1.1
95.08624	2.2
97.02914	0.6
97.06534	0.7
98.97579	0.8
102.05544	6.0
105.07017	1.4
107.04928	0.5
107.08592	1.9
109.06544	0.5
109.10173	1.9
111.04469	0.4
112.03983	0.8
113.02356	1.5
114.05515	0.5
116.98605	0.7
117.07033	0.7
118.06545	9.0
119.08566	1.2
121.06499	0.6
121.10149	1.3
123.08028	0.4
123.11727	0.7
124.26230	0.3
130.05003	41.1
131.08514	0.4
132.08107	3.3
133.06548	0.4
133.08870	1.3
133.10120	1.2
135.11694	0.8
136.07613	0.7
137.05966	1.0
137.09628	0.5
139.03917	1.8
139.11116	0.4
141.07088	0.3
143.08534	0.6
144.08105	1.6
145.10138	0.9
146.09601	2.7
147.04373	1.2
147.11676	0.8
149.09586	0.5
149.13341	0.4
151.07629	0.3
156.03621	0.4
158.06038	0.4
159.11708	0.6
161.09634	0.4
163.03932	0.4
163.14771	0.3
164.07108	0.6
167.03383	0.7
176.14346	100.0
177.14680	1.6
177.16124	0.3
189.12723	0.5
202.15889	1.0
216.13748	0.5
224.08015	1.1
224.11533	0.3
226.19775	0.3
228.38615	0.4
259.17130	0.4
268.24310	0.3
287.13776	0.8
288.15964	5.0
305.14795	1.1
305.18558	17.2
305.24487	1.0
306.18652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1017
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.17162	0.7
55.01864	1.9
65.03941	0.7
68.99786	1.2
70.83990	1.3
70.84364	1.3
79.05476	0.8
83.04968	0.9
91.05475	1.8
95.04965	2.0
97.02868	0.8
105.07056	0.8
111.04421	3.3
115.05459	0.9
119.04947	4.9
122.03621	2.8
123.04452	0.7
133.06467	1.4
137.05975	56.0
138.06299	1.2
139.03900	100.0
140.04240	1.6
143.04878	1.6
147.04408	22.3
153.05472	1.4
158.05984	1.3
161.06010	1.7
175.07552	3.8
179.07030	5.3
181.04863	1.3
193.08578	2.2
203.06897	0.8
221.08067	3.2
242.92450	0.8
304.90463	0.8
305.10272	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1018
Annotation	4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
50.60181	0.3
51.98374	0.3
54.78122	0.4
55.01871	1.7
55.02082	0.3
55.05508	0.4
55.81569	0.3
56.02909	0.3
57.89396	0.4
63.37602	0.3
65.03937	1.0
67.05491	1.0
68.99784	1.9
69.03403	0.8
70.06579	0.5
70.13810	1.5
79.05472	0.7
81.03389	0.4
81.07038	0.5
83.04982	1.1
85.02884	0.6
91.05473	2.0
93.03397	1.1
93.07106	0.4
94.04197	0.9
94.42269	0.3
95.04966	2.4
95.08625	0.4
97.02878	1.0
105.07005	1.2
105.26936	0.3
107.04964	1.1
111.04435	3.8
111.05139	0.5
115.05435	0.7
119.04947	4.9
122.03661	3.1
123.04410	1.0
127.03927	1.3
128.24065	0.3
129.21324	0.3
130.05032	0.4
131.04865	0.4
133.06483	1.2
135.04437	0.5
137.05977	58.9
138.06299	1.2
139.03900	100.0
140.04262	2.2
143.04907	1.8
147.04407	22.6
148.04732	0.5
149.02371	0.7
149.05962	0.4
151.03909	1.1
151.07529	0.5
153.01830	0.7
153.05466	0.9
160.05202	0.9
161.06013	2.7
162.05473	0.8
163.03922	1.2
165.09033	0.5
167.03464	0.4
175.07550	4.4
177.03297	0.7
177.05486	0.6
179.07039	4.0
181.04945	1.4
189.05487	0.5
190.05049	0.4
193.08629	2.0
203.07022	0.9
219.10234	0.4
221.08070	3.8
225.94980	0.4
259.05914	0.6
263.09204	1.0
270.11264	0.5
287.09265	0.5
305.10202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02370	1.0
51.38364	0.8
52.39479	1.1
53.03942	0.9
55.01867	2.1
55.05515	1.1
56.96550	1.9
60.53754	0.8
62.24078	0.8
64.49975	0.8
65.03931	4.7
67.01864	3.0
67.05495	4.1
68.99799	5.5
69.03428	4.9
69.07055	3.0
70.75074	3.0
74.97946	0.8
77.03921	1.4
77.14090	0.8
79.05508	1.5
80.19498	0.8
81.03416	1.5
81.07063	2.0
83.01327	0.9
83.04975	0.8
91.05460	1.8
93.07011	1.6
95.04955	4.8
95.08588	2.3
97.02891	3.1
98.97586	5.9
103.05444	1.0
105.03419	2.2
105.07014	2.0
107.04955	1.9
109.02827	1.3
109.06541	1.1
109.10146	1.6
111.04433	8.6
115.05396	1.1
116.98598	5.1
119.04949	1.5
121.02863	14.6
121.10050	0.8
122.03655	1.3
123.04423	66.1
124.07570	1.3
127.03928	3.6
129.06970	2.9
131.00116	1.1
131.08502	0.9
133.02847	3.4
133.06479	1.2
134.99641	3.1
135.04391	4.0
136.07564	1.2
137.02345	1.7
137.05968	26.6
139.03894	50.0
140.07045	2.9
145.06459	1.0
146.05972	1.2
147.04398	13.0
148.07619	1.4
149.01285	2.8
149.02330	71.8
150.03073	2.4
151.03868	3.4
153.01822	100.0
157.06503	4.4
158.05960	1.1
158.99664	1.4
161.02322	7.1
161.05983	1.5
162.85762	0.8
163.03880	2.9
164.07074	3.0
164.10828	1.2
167.02124	1.7
167.03406	13.2
171.02840	1.7
175.03844	1.1
175.07530	3.2
177.00728	2.8
179.03394	3.7
179.07086	2.2
180.43384	1.0
181.05009	1.6
184.07452	0.9
185.05992	8.5
191.02217	1.6
192.10226	2.8
193.08658	1.6
195.02892	14.9
202.98682	1.5
203.03456	1.4
203.07008	1.3
213.05460	13.8
224.07982	4.5
224.58229	1.0
231.06511	53.8
241.04942	5.8
242.11838	1.0
245.12912	1.0
258.05197	2.1
259.06000	52.5
260.12946	1.2
261.08615	0.9
263.10132	1.2
269.04285	1.0
270.11151	1.9
287.05530	12.9
287.10196	2.5
287.13895	3.7
305.06671	6.5
305.11172	6.2
305.14890	5.2
305.17978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.00307	1.0
53.03950	2.1
55.01873	1.3
65.03933	2.8
66.52122	0.8
67.01871	6.1
67.05508	2.1
68.99792	10.4
69.03432	1.7
69.07054	0.9
69.86559	2.5
69.86974	2.0
77.03920	1.0
79.05448	0.8
80.53004	0.8
81.03410	3.3
81.07058	1.2
84.27171	0.8
85.02885	1.6
91.05479	1.8
93.03398	1.1
95.04955	3.5
97.02882	2.7
105.03378	2.6
107.04967	2.5
109.02885	3.4
109.77084	0.7
111.04452	5.2
113.02356	1.1
114.75950	0.8
115.05461	1.4
118.04185	1.4
119.04962	2.0
121.02876	3.0
121.10178	1.2
122.06030	1.4
123.04423	70.3
124.05257	1.2
125.02340	5.3
126.01057	2.2
127.03898	4.5
129.07031	1.4
131.04910	1.3
133.02846	2.5
135.04411	12.6
136.07590	1.2
137.02374	6.6
137.05965	6.9
138.03131	1.9
138.05502	1.0
139.03896	40.9
141.01852	2.4
142.02663	0.9
143.03401	2.8
147.04414	5.6
149.02335	5.0
149.05974	1.3
150.03105	1.5
151.03882	4.5
153.01819	3.1
153.04204	1.2
153.05489	1.6
154.04988	7.7
155.03383	100.0
156.03728	0.9
157.06450	1.1
161.05984	1.5
163.03893	15.8
163.07626	0.9
164.04614	1.7
164.07097	1.0
165.05478	3.1
167.03371	7.6
169.05214	1.0
171.04376	2.0
175.03902	2.4
179.03421	3.8
185.05972	2.9
187.11148	1.2
188.11806	4.1
189.05501	1.9
194.04774	1.3
195.02869	1.0
199.03920	1.9
201.05408	0.9
203.03525	1.4
213.05406	6.5
217.05003	2.6
219.06490	0.9
222.07687	0.9
223.08707	5.6
231.06482	3.0
241.04829	4.7
243.06471	1.2
245.04446	1.0
245.08150	1.4
259.06009	7.5
261.03922	1.8
269.04443	3.7
277.07043	2.3
287.05457	7.8
287.13922	1.4
305.06473	10.5
305.14835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02378	0.7
53.03934	0.9
54.50163	0.6
55.01860	1.8
56.96548	1.0
57.71381	0.6
65.03934	3.9
67.01884	1.6
67.05507	3.3
68.99787	4.7
69.03414	2.8
69.07058	1.5
71.10271	1.7
72.65421	0.6
75.36565	0.6
76.24129	0.7
79.05479	1.2
81.03403	1.0
81.07057	1.1
85.02886	1.5
89.03941	0.8
91.05486	1.2
93.03404	1.5
95.04956	5.5
97.02859	2.3
98.97575	1.0
105.03403	1.9
105.07033	0.8
107.04950	1.1
109.02905	1.7
109.10098	0.8
111.00780	0.9
111.04440	8.1
115.05460	1.0
116.98621	1.2
117.07044	0.7
119.04933	1.7
121.02863	13.8
121.06431	0.8
122.06034	1.5
123.04425	70.4
124.04773	1.0
127.03949	2.2
129.06993	1.4
130.06480	0.9
133.02820	3.6
135.04440	4.5
136.64287	0.7
137.02342	2.0
137.05966	11.0
139.03902	23.1
139.05458	1.5
140.07050	2.0
145.06517	0.9
147.04417	5.7
149.02336	75.4
150.03088	1.9
151.03926	4.6
153.01819	100.0
154.02438	1.0
157.06483	5.5
160.05182	1.3
161.02354	6.4
161.05975	2.0
163.03941	1.9
164.07111	1.3
167.03395	11.9
167.04816	0.8
171.02855	1.1
175.03844	0.9
175.07549	3.6
179.03412	2.9
185.05943	9.8
185.07431	0.8
189.05516	1.0
190.83070	0.7
195.02881	18.3
203.03445	2.2
203.06995	1.3
213.05437	17.4
215.09207	0.7
217.04724	0.9
221.08054	0.9
224.08067	2.1
231.06511	57.8
232.06808	1.6
241.04987	8.1
242.05731	0.7
242.11745	1.1
258.05228	2.4
259.06000	54.0
260.06372	1.0
287.03018	0.5
287.05515	14.3
287.13870	3.2
305.06607	6.5
305.09756	1.2
305.14798	2.4
305.22073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03928	0.8
55.01870	1.7
56.96566	1.6
65.03936	3.2
67.01856	2.4
67.05495	2.6
68.99786	4.9
69.03415	2.8
69.03762	0.8
69.07069	1.1
69.82287	2.4
69.82705	2.1
71.04961	0.8
78.41259	0.7
79.05486	1.5
81.07063	1.5
83.01325	0.8
84.04508	0.8
84.09634	0.7
85.02912	0.9
85.06511	0.9
88.62498	0.7
89.03900	0.8
91.05475	2.1
93.07011	1.7
95.04961	3.8
95.08600	2.4
97.02915	1.1
98.97577	5.3
105.03381	1.2
105.07036	1.7
106.78554	0.8
107.04948	2.4
107.08597	2.0
107.78313	0.9
109.02867	0.9
109.10149	1.3
111.04440	5.0
115.05458	1.2
116.98639	5.3
117.06979	1.1
119.04910	0.8
119.08569	0.9
121.02856	8.8
121.10153	1.5
122.06047	1.1
123.04432	40.2
125.04716	0.8
127.03930	2.7
128.06258	1.2
129.07005	2.5
130.06532	5.1
131.00206	1.3
131.58209	0.7
133.02872	1.7
133.10150	1.4
134.99640	2.1
135.04431	4.4
137.02330	2.2
137.05968	2.2
138.05482	1.3
139.02890	1.2
139.03899	8.0
139.04997	0.8
139.05429	1.1
141.06949	0.9
145.06447	1.0
146.06053	4.1
146.09587	0.8
146.99681	1.0
147.04417	1.8
147.11676	0.8
149.01297	2.1
149.02339	46.6
150.05540	0.9
151.03870	2.1
153.01830	100.0
154.02275	1.0
156.04436	1.9
157.06526	4.4
158.06018	8.9
158.09676	0.8
161.02362	4.2
161.05989	1.8
163.03819	0.8
164.07021	1.0
167.03430	11.4
171.02948	1.7
173.01210	1.1
173.07118	5.7
174.05504	2.6
175.07571	1.6
177.00737	2.1
179.03409	1.7
185.05984	4.8
189.05487	1.3
190.12430	0.9
191.02272	1.8
194.11977	0.9
195.02925	11.1
202.05023	1.5
202.98671	1.4
203.03415	1.5
213.05466	11.0
213.10158	0.8
214.08665	1.6
217.09660	1.2
231.06508	32.6
241.04903	3.9
241.09753	0.8
242.08134	0.9
245.09274	2.8
258.05258	1.8
259.06027	31.6
259.10757	2.7
260.06421	0.9
287.05539	9.0
287.10263	12.0
287.13614	1.6
305.06485	4.2
305.11502	1.5
305.14896	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29499	0.5
53.03937	0.7
61.02911	1.0
68.05039	0.7
69.03432	2.4
69.07059	0.7
69.29446	3.0
69.29878	2.1
70.06589	0.7
73.02946	0.6
79.05486	6.8
80.05013	1.5
81.03420	0.7
81.05799	4.4
81.07056	5.1
82.02922	0.6
85.02902	4.4
86.06069	0.9
86.09685	0.8
87.04464	0.8
91.90888	0.6
94.06543	1.0
95.04977	0.8
96.04491	1.7
96.08134	11.3
97.02880	1.3
97.06535	0.7
106.06538	0.8
108.21822	0.5
109.02868	0.5
109.05242	0.9
112.07594	1.3
114.05549	0.6
116.95042	0.4
124.07587	100.0
125.07944	1.4
127.03906	1.2
142.08632	14.0
142.09753	0.8
185.09305	0.7
248.04593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01853	5.9
55.05511	2.5
56.96557	4.8
57.03432	5.9
60.04520	10.0
61.02917	3.8
66.96848	2.0
68.99777	3.3
69.03424	22.3
69.07060	52.0
69.79074	14.0
71.08624	17.4
72.01120	2.3
72.08151	2.2
73.02900	4.1
78.15582	2.2
79.05486	5.0
81.03419	16.3
84.04483	4.8
85.02899	81.1
86.02420	9.4
86.09701	3.1
91.05470	2.9
94.06600	2.0
95.04939	3.6
96.08140	13.5
97.02888	48.0
97.06522	7.9
98.97572	6.0
99.04436	6.0
103.03923	5.0
107.04991	2.9
109.02887	13.1
110.77581	2.2
111.00856	2.4
111.04416	5.5
114.09180	15.0
116.98598	4.7
120.05270	2.7
121.02868	3.2
122.06010	6.3
123.03564	3.7
123.04417	52.0
124.04742	6.0
124.07581	37.4
125.02348	3.2
125.05980	2.6
126.09117	2.4
127.03931	16.2
130.06529	4.4
134.99644	2.4
135.04413	6.2
137.02333	3.6
137.05978	12.2
138.05588	2.3
138.09129	6.6
139.03896	38.4
142.08626	100.0
145.04933	5.2
146.05887	2.8
147.04381	11.1
148.04752	4.0
149.01254	2.8
149.02341	9.3
151.03868	18.1
152.04236	12.9
153.01747	4.3
154.04938	4.0
155.03391	41.4
163.03853	9.9
165.06865	3.7
167.03317	2.7
175.03905	3.0
179.03494	3.0
183.07938	2.9
184.09689	84.1
191.02109	2.2
194.07207	2.5
203.03462	2.8
208.09727	18.0
211.07431	4.2
213.05457	5.1
220.09685	3.2
223.07492	14.2
231.02702	2.1
231.06506	5.2
238.10791	2.3
241.05014	3.9
242.09261	3.0
250.10730	9.4
253.25157	2.3
259.06009	10.7
268.09631	5.9
269.04443	2.3
280.34842	2.4
287.05466	6.9
287.13828	2.9
304.08835	11.2
304.13699	4.8
305.06512	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1954
Annotation	Nocarasin C
Peak:m/z	Relative Intensity
51.00694	1.5
53.03964	2.5
55.01874	10.5
55.05512	77.5
57.03432	2.1
57.11596	1.4
59.04989	3.0
64.53603	1.9
67.05502	26.4
69.03416	5.8
69.07059	10.7
69.99398	8.1
71.04964	1.8
79.05061	3.2
79.05493	41.2
81.07056	29.8
83.04975	7.0
83.08617	22.3
91.05488	20.8
93.07041	15.6
95.04967	2.2
95.08605	5.7
96.37141	1.8
97.10172	48.2
98.21426	2.3
105.07030	7.9
107.04942	1.8
107.08595	32.1
109.06500	3.0
109.10154	5.7
109.36711	1.6
111.08057	3.7
115.05454	21.6
117.07021	91.6
119.08581	17.2
121.10205	2.4
123.08079	3.2
125.09637	46.9
128.06212	3.4
129.07014	7.1
131.08577	11.0
133.10110	2.2
135.08069	15.1
141.06995	1.9
142.07787	2.4
143.08556	15.5
145.06483	93.6
145.10144	5.8
146.06801	2.5
147.07993	3.3
153.09096	11.7
155.08560	4.7
157.10110	12.6
157.12248	5.4
159.08098	6.3
159.11694	2.4
161.09579	2.3
169.10156	6.5
171.10182	3.3
171.11726	3.0
173.11755	1.8
183.11678	3.6
185.09637	1.8
185.13283	2.0
196.64784	1.5
203.12766	22.1
211.11267	2.3
211.15010	2.3
225.16412	9.4
235.14853	2.4
243.17418	6.1
253.15875	7.9
271.16925	100.0
272.17313	6.2
283.97290	1.9
303.04929	4.2
303.19556	13.8
303.22760	2.3
303.26712	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	303.1953
Annotation	Trigoheteric acid methyl ester
Peak:m/z	Relative Intensity
55.01874	9.7
55.05510	60.1
56.10351	1.7
57.03432	11.4
57.07077	4.3
64.49325	1.9
67.05507	21.1
69.03432	13.3
69.07068	13.3
69.86558	11.0
70.06578	8.3
70.28096	1.6
71.05001	1.9
79.05493	32.3
79.62608	1.7
81.07055	24.7
83.04980	4.9
83.08616	23.6
88.07616	9.1
88.61561	1.7
89.07973	2.5
91.05476	22.8
93.07037	14.9
95.04987	2.7
95.08589	5.3
97.10160	49.0
102.09180	2.4
105.07030	11.6
106.08680	5.9
107.04958	4.6
107.08585	26.3
109.06523	3.8
109.10133	5.9
115.05456	12.7
116.06280	3.1
117.07014	66.0
119.08589	21.9
123.08078	2.3
125.09626	48.8
128.06221	7.4
129.06979	7.7
131.08527	13.0
133.06471	6.5
133.10117	6.8
135.08058	15.4
142.07748	2.4
143.08572	14.3
145.06477	100.0
145.10124	7.9
146.06851	2.3
147.08047	14.3
149.09567	2.1
153.09108	12.2
155.08545	7.1
157.10114	12.7
157.12231	3.9
159.08084	13.6
160.08806	3.2
161.09647	15.1
169.10100	5.5
171.10176	3.2
171.11624	2.6
173.09630	9.6
175.11092	2.7
183.11646	3.9
187.11200	3.9
191.71465	2.2
197.13179	4.2
203.12772	36.8
211.14690	2.4
215.14336	10.8
225.16339	6.1
235.14795	3.6
243.17416	10.0
251.53467	1.9
253.15855	8.2
271.16916	99.0
272.17337	4.4
285.29816	3.5
303.19556	61.2
303.30844	79.2
304.19882	2.7
324.34915	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	303.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60309	0.2
56.96577	0.4
57.03418	0.4
58.06601	2.0
61.02915	0.5
64.80135	0.2
69.03413	0.8
71.58025	0.4
73.02922	0.4
73.09342	0.2
81.03419	0.4
81.04544	4.0
82.04296	0.2
82.04871	1.9
84.08129	2.0
85.02906	0.7
88.07632	1.6
91.81969	0.2
94.06563	0.3
97.02896	0.5
98.97579	0.3
99.04424	0.3
99.95191	0.2
102.05539	0.4
115.59939	0.3
116.04739	5.4
116.98648	0.2
119.01777	0.5
122.07164	1.6
123.07511	1.2
128.02406	0.3
140.08191	5.6
140.81821	0.2
141.01144	0.3
141.06847	0.3
141.08582	5.4
142.09792	0.3
144.10196	100.0
145.10571	1.7
158.48006	0.2
160.03709	7.6
160.09691	18.1
161.10062	0.5
166.08397	4.4
185.09195	0.3
189.00699	0.3
213.03418	0.5
230.94005	0.2
242.72478	0.3
251.70831	0.2
303.10483	0.7
303.13739	7.9
303.19089	0.5
304.07935	0.4
304.14203	0.5
310.40884	0.2
327.27588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97862	0.4
55.05505	0.4
57.29171	0.3
65.03926	1.1
67.05491	1.0
68.99781	0.5
69.03421	0.6
69.07067	1.9
70.12115	0.7
70.12479	1.6
76.67104	0.3
79.05475	1.9
81.07047	1.7
82.06585	0.7
89.03912	1.0
91.05468	1.2
92.04999	1.1
93.07035	1.0
94.06567	2.3
95.04959	0.8
95.08591	0.5
96.04492	0.5
97.02896	0.3
97.06509	0.4
103.05497	0.4
105.07039	0.9
106.06579	2.0
107.04939	1.1
107.07331	0.4
107.08533	0.5
109.06546	0.6
109.10145	0.4
110.06041	7.5
112.07583	0.5
116.04979	1.3
117.05772	0.6
120.04465	12.0
121.05275	0.4
122.06025	3.6
123.04375	0.6
123.06828	0.6
124.07590	4.6
130.06573	0.7
133.10114	0.4
134.06026	4.1
135.04395	0.7
136.07574	0.5
138.05489	0.8
139.03821	0.6
140.07062	6.3
141.07863	5.3
142.08630	14.4
144.04463	1.0
146.06097	0.5
151.03880	0.6
154.08623	1.4
158.06050	0.7
159.11630	0.6
162.05502	100.0
163.05893	2.0
163.11182	0.5
164.07045	0.8
180.06454	0.4
216.10233	1.6
217.13316	0.9
229.46941	0.3
230.08064	0.9
240.10182	0.6
243.11253	1.6
244.09744	1.2
258.11230	2.5
261.12338	5.9
279.13364	2.7
285.12296	1.4
286.10751	2.5
303.04977	0.5
303.13394	7.5
303.23193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.3
55.01865	0.5
56.96558	0.2
59.05030	0.2
60.14268	0.2
65.03926	1.3
67.05489	0.7
68.99796	0.4
69.03392	0.3
69.07063	1.6
69.89937	1.1
70.06592	0.4
71.04983	0.3
77.03931	0.2
79.05495	1.7
81.03431	0.4
81.07056	1.0
82.06568	0.8
84.08132	0.2
84.54705	0.3
85.02925	0.3
89.03390	0.2
89.03910	0.7
91.05479	1.5
92.05003	1.6
93.05807	0.4
93.07037	0.4
94.06548	1.9
95.04965	0.9
96.04496	0.3
96.08131	0.6
97.02892	0.3
98.06064	0.5
98.97545	0.3
103.05486	0.3
105.07066	0.4
106.06568	1.5
107.04922	1.1
107.07324	0.7
109.06519	0.6
110.06039	6.6
112.07573	0.5
116.04970	1.0
117.05753	0.6
118.06516	0.3
120.04465	12.4
120.08077	0.3
121.05251	0.8
121.06525	0.3
121.63552	0.3
122.06026	3.4
123.04437	1.3
123.06795	0.3
124.07593	4.5
129.06990	0.2
132.33279	0.2
134.06017	4.2
135.04407	0.9
135.08072	0.3
136.07549	0.5
137.05949	0.3
138.05504	0.8
139.03938	1.1
140.07057	6.9
141.06773	0.3
141.07858	5.7
142.08632	15.6
144.04417	1.2
146.05969	0.3
147.04401	0.7
147.08009	0.3
149.05974	0.3
151.03870	1.2
153.05476	0.3
154.08626	1.5
155.08578	0.2
160.07669	0.3
160.20558	0.2
162.05501	100.0
163.03903	0.5
163.06068	1.8
164.07054	1.0
165.06921	0.3
173.05942	0.2
178.05017	0.3
183.08173	0.3
187.07515	0.3
187.12193	0.3
191.03392	0.3
193.04863	0.4
198.09085	0.3
211.07536	0.4
214.08543	0.4
216.06673	0.5
216.10214	1.7
217.13391	0.7
219.06541	0.8
226.08569	0.2
229.04958	0.3
230.08170	1.2
240.10167	0.3
243.06451	0.3
243.11407	1.5
244.09637	1.4
257.04565	0.3
257.08612	0.2
258.11249	3.2
261.12323	5.2
268.09787	0.5
275.09488	0.3
279.13361	2.6
285.12323	2.5
286.10574	2.9
303.05005	1.4
303.08755	0.6
303.13428	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	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03938	0.6
55.01862	0.3
55.05491	0.4
65.03934	0.9
67.05496	0.7
68.04972	0.2
68.99773	0.6
69.03423	0.4
69.07067	1.8
70.06583	0.3
70.23965	0.2
71.04975	0.3
71.58834	0.4
72.08143	0.4
77.74834	0.2
79.05478	1.9
80.02361	0.2
80.05007	0.3
81.03413	0.3
81.07043	0.9
82.06570	0.7
85.02881	0.5
89.03909	0.9
89.86009	0.2
91.05476	1.5
92.05006	1.6
93.05762	0.5
93.07024	0.5
94.06548	2.2
95.04955	0.9
96.04491	0.5
96.08115	0.3
97.02868	0.4
97.06516	0.3
98.06039	0.5
98.97562	0.4
99.04457	0.3
99.08064	0.3
105.07060	0.3
106.06540	2.1
107.04938	0.9
107.07298	0.6
107.08566	0.3
107.92728	0.2
108.04460	0.3
109.06498	0.3
110.06042	6.9
111.04464	0.3
112.07603	0.9
116.04964	1.0
117.05740	0.5
118.06535	0.5
119.04850	0.2
119.08580	0.4
120.04460	12.1
122.06023	4.3
123.04437	1.7
124.07572	4.3
130.06523	0.4
131.08566	0.3
132.08057	0.3
134.06029	3.9
135.04393	0.6
136.07619	0.4
137.05997	0.4
138.05513	0.7
139.03934	1.1
140.07060	6.9
141.07846	6.2
142.08630	16.1
144.04440	1.2
146.06032	0.3
147.04408	0.7
151.03909	1.5
154.08629	2.2
155.08482	0.2
155.37604	0.2
158.06087	0.3
160.09601	0.4
162.05495	100.0
163.03876	0.5
163.06055	2.0
164.07051	1.1
165.05534	0.3
168.74809	0.2
178.04984	0.3
183.08136	0.3
188.03491	0.3
188.10686	0.4
191.03468	0.3
198.09186	0.3
211.07408	0.3
216.06656	0.4
216.10167	1.8
217.13388	0.9
219.06471	0.5
230.08127	1.0
240.10307	0.6
243.06610	0.3
243.11475	1.4
244.09705	1.4
257.04572	0.3
257.12808	0.5
258.11279	3.6
259.17319	0.3
261.12314	5.4
261.14853	0.4
268.09717	0.7
279.13409	3.0
285.07501	0.3
285.12289	2.7
286.10638	2.7
303.04996	0.9
303.08759	0.7
303.13400	8.5
303.23239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01863	1.4
55.05517	6.2
56.96567	1.4
57.07083	1.8
62.74334	0.9
65.03934	1.0
67.05509	7.6
69.03424	3.6
69.07080	6.5
69.97974	2.1
69.98387	3.0
71.04990	3.5
71.38319	0.9
77.03899	0.8
77.58688	0.8
79.05497	8.6
81.03405	1.6
81.07053	18.9
83.04960	1.9
83.08616	2.0
85.02911	1.1
85.06552	1.2
88.50472	1.0
91.05484	13.9
93.07036	15.1
95.04964	5.5
95.08602	11.0
97.02284	1.7
97.02892	28.1
97.06521	2.7
97.10165	2.7
98.94676	0.9
98.97639	0.9
99.04449	1.0
99.08127	1.6
101.06096	1.2
102.04704	1.5
103.05448	4.8
105.07034	17.1
107.04955	3.8
107.08595	11.9
109.02885	1.0
109.06521	2.9
109.10159	9.0
111.04449	0.9
111.08118	1.0
115.05435	4.7
117.07019	3.9
119.04945	3.5
119.08588	15.0
121.06474	2.4
121.10146	8.6
123.04442	8.8
123.07222	1.0
123.08066	3.5
123.11710	3.6
125.09560	1.9
127.11179	2.6
128.06248	1.0
129.06958	1.2
130.04164	1.8
131.04941	3.9
131.08565	4.2
133.06490	1.7
133.10136	11.0
135.04361	1.3
135.08067	2.6
135.11713	5.3
137.02347	1.0
137.05965	2.4
137.09685	2.1
139.03918	3.3
141.06993	1.5
143.04900	1.4
143.08568	1.8
144.05699	1.4
145.06462	4.5
145.10100	7.3
146.03618	1.8
146.90190	1.0
147.04417	11.1
147.08127	1.1
147.11682	11.5
148.05151	1.7
149.05934	2.0
149.09624	2.6
149.13252	3.2
151.03906	14.3
151.07538	9.4
151.11197	1.4
153.01793	1.5
153.05481	2.5
153.06964	2.5
155.08560	2.4
157.10155	2.8
158.03677	3.0
159.04359	1.4
159.11671	6.6
160.05214	0.9
161.05989	3.1
161.09608	2.2
161.13260	6.2
163.03944	1.9
163.07512	1.7
163.11206	3.7
165.05479	2.7
165.07021	4.7
165.09158	1.2
165.12724	1.0
168.05708	1.9
169.06488	1.8
173.05998	6.6
173.13245	2.8
175.03908	1.7
175.11171	2.5
175.14703	1.6
176.04674	5.5
177.05504	1.9
177.09103	2.0
177.12712	1.2
181.05023	1.6
183.08080	4.2
183.11586	1.2
185.05891	1.6
185.09395	1.1
187.07686	1.0
187.14763	2.1
189.09099	2.2
189.16338	1.7
190.06244	1.8
191.07065	5.9
191.10664	5.9
193.05028	1.2
196.05252	1.2
197.06013	2.3
197.13286	1.2
199.07625	1.1
199.14818	3.3
200.04726	1.0
201.05493	5.3
201.16435	1.5
204.04144	4.3
205.08640	1.9
205.15842	1.4
207.04544	1.2
207.06453	0.9
211.07582	5.6
213.05469	1.1
215.07010	2.1
217.15831	2.2
219.06531	100.0
220.06966	2.0
227.06984	1.2
229.16019	1.5
229.19473	1.8
233.08061	1.1
234.76768	0.9
242.05656	1.1
243.06587	1.8
243.10222	3.5
245.07939	1.2
247.09634	1.3
257.08176	1.2
267.21057	1.9
271.09674	5.1
285.07550	3.0
285.22113	4.3
288.09772	1.3
303.05072	3.5
303.08548	22.3
303.11804	1.7
303.19891	1.8
303.23154	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	303.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
55.05514	4.6
55.15727	0.6
56.96558	0.9
57.03435	0.9
57.07071	0.6
64.19346	0.6
65.03931	0.8
67.05506	5.9
69.03431	3.5
69.07068	4.1
70.19930	0.5
70.45625	2.1
71.04991	1.1
79.05493	5.7
79.29787	0.5
81.03422	0.7
81.07060	10.5
83.04963	1.0
83.08614	1.1
85.06549	1.0
87.75156	0.5
91.05479	8.1
93.07042	11.5
95.04973	3.7
95.08607	7.9
97.02892	28.9
97.06528	2.0
97.10165	2.5
99.08095	0.6
102.04709	0.9
103.05470	4.2
105.03540	0.5
105.07036	13.2
105.75751	0.6
107.04945	1.9
107.08591	8.5
109.06526	2.1
109.10152	6.0
111.04472	1.1
111.08087	1.1
115.03952	0.9
115.05444	5.3
117.07028	2.5
118.04160	0.7
119.04945	1.8
119.08585	8.1
121.06522	1.4
121.10158	5.1
123.04429	6.6
123.08069	2.7
123.11700	2.4
125.09622	1.6
127.03960	0.6
127.11191	1.7
128.06245	0.6
129.07011	1.0
130.04135	1.9
131.04930	3.7
131.08549	3.2
132.05682	0.7
133.06534	0.7
133.10129	7.8
135.04408	0.8
135.08023	3.0
135.11687	2.8
137.02354	0.8
137.06006	1.5
137.09566	0.9
137.13260	0.7
139.03897	2.7
139.11198	0.8
141.06996	0.8
143.08591	1.4
144.05698	1.6
144.09581	0.5
145.06496	3.6
145.09106	0.7
145.10109	4.8
146.03651	1.7
147.04411	6.0
147.11696	8.9
148.05161	2.1
149.05994	1.4
149.09630	1.4
149.13235	2.4
151.03915	9.5
151.07521	5.5
151.11122	1.1
152.06169	0.6
153.01825	0.9
153.05455	1.3
153.06946	1.5
153.96266	0.5
155.08592	1.2
157.06544	1.0
157.10109	2.1
158.03644	3.0
158.07318	0.8
159.04422	1.2
159.08041	0.8
159.11699	4.2
161.05977	2.0
161.09637	1.6
161.13264	4.8
163.03922	0.9
163.07526	2.3
163.11183	2.2
165.05635	1.0
165.07051	2.1
165.09143	0.7
165.12767	0.8
168.05678	0.8
169.06456	0.8
169.10133	0.8
171.04448	0.9
171.11746	0.9
172.05128	1.0
173.05971	5.2
173.09598	0.8
173.13278	2.0
175.03853	1.4
175.11226	1.7
175.14844	1.7
176.04665	6.4
177.05444	0.9
177.09126	0.9
177.12775	1.2
179.07011	0.5
181.04999	1.3
181.06499	1.0
183.08070	1.9
185.05948	1.3
187.07446	0.7
187.14803	1.8
189.05452	1.3
189.09149	0.9
189.16400	1.2
190.06140	0.9
191.07025	5.3
191.10655	4.2
196.05186	0.9
197.05946	1.0
199.14882	2.5
200.04619	0.7
201.05464	4.5
201.09084	0.5
201.16325	1.2
203.10663	1.0
203.14320	0.6
204.04208	4.8
205.08621	1.4
205.15924	0.6
207.06575	0.6
210.06851	0.6
211.07526	2.5
213.05574	1.1
214.06297	1.1
215.17899	0.5
217.04907	0.9
217.15862	1.2
219.06523	100.0
220.06876	2.8
229.15907	0.6
229.19481	1.0
231.06577	1.1
239.06972	0.9
242.05667	0.9
243.10156	1.7
245.08121	1.0
247.09677	1.4
257.08044	0.6
267.21030	0.9
271.06033	0.9
271.09616	3.2
275.09109	1.3
285.07632	1.5
285.12268	0.6
285.18842	1.1
285.22128	3.8
288.06213	1.2
288.09711	1.0
303.05084	2.3
303.08609	22.8
303.12106	1.6
303.20410	0.6
303.23184	14.6
304.08981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00654	0.8
53.03939	1.4
54.72559	0.9
55.01853	2.9
56.05014	1.1
56.96566	22.0
57.03441	12.3
58.06599	3.2
61.02923	22.2
69.03427	20.5
69.47498	7.9
70.06571	1.6
70.98132	1.7
71.04987	1.8
73.02917	14.4
74.97612	1.0
81.03429	5.3
81.04528	2.4
82.04872	1.6
84.04480	1.1
84.08149	3.5
84.96044	1.3
85.02905	34.9
86.03223	1.1
87.04462	2.8
88.07626	1.9
88.99179	1.5
91.03960	1.7
96.01537	1.4
97.02892	14.7
98.01328	1.1
98.97578	29.6
99.04448	4.9
101.02377	1.5
101.52779	1.1
102.01514	0.9
104.01287	1.4
109.02904	2.7
110.01288	4.9
110.97572	4.0
114.05520	3.0
116.98617	22.7
119.01804	11.8
119.51933	1.5
122.01254	1.1
123.04477	1.3
124.95506	1.9
125.01778	1.7
127.03907	10.8
128.02310	16.8
128.98607	8.6
131.01839	2.2
133.01552	1.9
134.02350	1.1
134.99661	11.1
137.02835	7.8
137.05949	1.1
139.03935	1.2
140.02304	2.2
140.08179	2.3
141.08575	1.6
142.96553	3.7
143.00151	2.2
144.10196	100.0
144.98058	1.2
145.01636	1.1
145.04967	4.0
146.02275	1.2
146.99648	9.2
149.01169	1.3
149.02869	2.2
151.03893	1.8
152.02370	1.5
153.01277	3.4
154.03828	0.9
155.00128	1.3
155.02803	2.7
156.98044	1.0
158.99702	6.5
160.09698	19.6
160.10971	2.0
160.97617	3.2
161.01239	3.4
161.02847	3.6
162.01802	3.7
162.99214	1.5
165.00731	4.2
168.01927	1.8
169.02606	3.5
170.99657	3.3
171.02324	3.7
172.29697	1.0
172.97597	1.2
173.01320	2.1
173.02870	2.6
174.01787	2.3
174.99187	4.4
177.00722	9.6
177.02359	3.1
178.03105	1.3
181.02562	1.2
182.03372	4.4
183.02313	9.3
184.97627	3.2
185.09195	4.9
186.99187	2.5
188.97064	7.0
189.00705	9.4
190.03183	1.0
190.98618	1.8
191.03859	7.2
192.02817	8.6
192.53006	1.0
193.00269	5.4
194.53195	1.5
197.07082	1.4
200.04384	4.5
201.00769	3.9
202.98593	6.0
203.05260	2.5
203.53656	1.1
204.02846	10.4
204.53029	1.2
205.00160	5.6
206.98103	4.8
207.01811	6.0
208.99675	1.0
209.04944	1.5
210.95526	1.0
212.96928	1.0
213.03389	20.5
213.05334	2.0
213.53564	2.1
217.00253	2.9
219.01778	6.2
220.02089	1.0
220.99744	2.1
222.03853	9.0
222.05629	1.1
223.01353	1.7
224.54317	1.7
225.04443	1.0
229.00302	1.3
230.98105	6.7
232.99698	1.9
233.54675	2.0
235.01315	3.7
237.02823	5.9
239.08153	3.0
244.99712	2.5
247.01234	4.5
248.99167	3.4
261.02777	2.5
263.00732	6.2
265.02048	1.5
267.07419	1.2
275.00745	3.2
279.03821	1.3
281.01797	3.1
286.14032	2.0
293.01819	2.1
294.06134	1.2
303.10208	8.8
303.13736	3.8
305.01880	2.6
323.02988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01852	0.4
57.53545	0.1
65.03929	0.7
67.01854	0.5
67.05487	0.4
68.99786	3.1
69.03412	0.4
70.06565	0.2
70.90812	0.3
79.05492	0.2
81.03405	0.7
81.07082	0.2
91.05460	0.3
93.03417	0.9
95.04976	1.1
97.02870	0.4
97.47992	0.1
103.05455	0.2
105.03376	0.3
105.07059	0.3
107.04970	0.3
107.08566	0.3
109.02865	1.0
111.00807	2.6
111.04399	0.4
115.05428	0.3
117.07014	0.5
118.06600	0.2
121.02867	2.5
123.04422	1.0
123.36438	0.2
127.03906	0.7
129.07019	0.2
130.61142	0.2
131.04903	0.6
133.06421	0.2
135.04367	0.5
137.02342	9.1
137.03384	0.6
139.03882	0.3
143.04893	0.2
145.06485	1.2
146.06020	0.3
147.04379	0.2
149.02351	0.9
151.03914	0.3
153.01823	12.6
154.02205	0.2
155.04904	1.5
159.04373	0.3
161.05998	0.9
163.03920	1.9
165.01833	4.4
166.02567	0.6
171.03008	0.2
173.06012	1.6
177.01668	0.2
177.05420	0.2
179.03413	0.6
183.02879	2.0
183.04428	1.2
187.03865	1.0
188.07027	0.2
191.03510	0.2
191.07001	0.3
195.02855	0.5
200.04597	0.2
201.05460	5.6
202.05882	0.2
203.03415	0.3
205.04930	0.6
207.02966	0.4
211.03922	0.6
213.05446	0.4
219.03017	0.3
219.06555	1.2
228.04173	0.7
229.04955	11.0
230.05399	0.4
232.03847	0.2
239.03397	0.5
245.04440	0.3
247.05917	1.8
257.04459	6.2
258.04880	0.3
259.14487	0.4
274.04718	1.7
275.05396	0.3
285.03931	3.1
286.04547	0.3
303.04980	100.0
304.05338	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	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19800	1.3
53.98202	1.5
56.96572	1.9
67.49545	1.4
69.71288	6.5
69.71709	4.1
94.19707	1.6
98.97575	2.1
116.98617	4.3
119.01926	9.7
127.50863	1.7
134.99654	2.2
137.02972	4.8
153.00943	1.7
177.00946	20.5
178.01067	4.2
179.00703	3.4
217.04073	2.5
218.03893	2.3
219.02005	34.6
219.03967	2.6
220.02133	9.3
221.01755	14.0
222.01965	2.2
225.00934	1.9
243.02043	5.4
261.03055	100.0
262.03143	34.7
263.02753	7.9
279.00641	2.9
282.99945	1.9
284.04672	3.3
284.99689	2.1
285.05176	1.8
301.01083	4.0
302.97922	1.8
303.01059	6.8
303.05609	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	302.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.8
56.96568	3.7
57.03428	2.1
59.05000	3.4
67.05505	4.9
69.07076	5.1
69.58202	10.0
69.58610	2.1
71.07260	1.8
73.02904	1.8
79.05473	2.9
81.07047	6.3
83.04988	2.3
83.34646	1.7
85.02914	2.1
91.05487	2.6
93.07080	2.4
95.08646	2.1
97.02878	2.0
97.10221	1.7
97.49100	1.5
105.07021	2.1
107.04948	1.7
107.08581	4.0
109.10194	1.8
143.00015	1.5
149.01312	1.5
163.11180	1.5
165.24654	1.3
167.02122	2.1
167.03410	35.5
167.07242	1.6
184.07605	2.2
185.08368	100.0
195.66519	1.7
200.10707	87.5
201.11081	3.8
211.06375	6.9
219.06511	2.8
226.08655	6.5
302.11060	4.5
302.17053	1.8
303.05099	2.8
303.08548	1.6
309.47281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01905	0.3
53.03932	0.2
54.03474	1.6
55.01859	0.3
56.96564	0.3
57.03430	1.1
61.02929	1.5
63.22987	0.2
69.03429	4.2
70.06577	0.3
71.05013	0.4
71.57336	0.2
71.57716	0.3
73.02924	1.4
81.03526	1.3
81.04536	42.1
82.04852	0.3
83.29875	0.2
84.08141	0.2
85.02904	4.5
87.04462	0.9
91.03944	0.4
94.06569	0.6
95.06095	0.2
97.02880	2.4
98.97556	0.5
99.04452	0.4
106.06556	0.2
108.36890	0.2
109.02880	0.5
110.07184	0.3
115.03935	0.2
116.07114	0.3
116.98625	0.2
117.03835	0.2
121.06519	0.2
122.06145	1.2
122.07147	28.4
123.07526	0.5
124.08725	1.1
127.03076	0.2
127.03902	1.0
140.07144	5.3
140.08176	100.0
141.08537	1.6
145.04977	0.3
163.02759	0.2
163.04343	0.3
164.08232	0.2
170.05206	0.2
177.04253	0.2
182.09323	0.3
184.04889	0.2
218.06706	0.2
237.02908	0.4
266.11392	0.2
284.12329	0.3
295.07077	0.2
302.13455	66.3
303.10587	0.4
303.13763	2.7
307.06638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06916	0.2
51.23784	0.3
53.03942	0.3
54.03468	1.6
56.96571	0.8
57.03445	1.3
61.02927	2.4
69.03078	0.3
69.03432	5.1
70.28818	0.4
70.29238	0.8
73.02923	1.6
81.03539	1.2
81.04540	46.0
82.04872	0.4
85.02908	5.3
85.97099	0.3
87.04472	1.0
91.03954	0.3
97.02917	2.2
98.97600	1.3
99.04474	0.3
103.05276	0.2
109.02850	0.7
113.57960	0.3
116.98626	0.8
119.01810	0.5
122.07155	29.2
124.08725	0.7
127.03918	1.1
128.02283	0.7
128.98549	0.4
134.99664	0.4
140.08188	100.0
141.08673	1.3
142.96562	0.3
144.10226	2.6
145.04964	0.4
146.99657	0.5
152.07037	0.6
158.99609	0.3
162.01884	0.3
177.00647	0.3
182.09268	0.5
183.02357	0.5
189.00775	0.5
191.03752	0.3
192.02878	0.6
204.02760	0.6
207.01869	0.3
213.03403	0.9
222.03932	0.7
263.00833	0.4
265.02548	0.2
271.20709	0.3
273.09146	0.3
284.12418	0.4
302.13467	67.1
303.10403	0.3
303.13785	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03454	1.2
55.01861	0.8
56.29126	0.5
57.03433	1.0
58.50601	0.5
61.02913	1.7
69.03430	5.8
69.85995	0.6
70.06567	0.7
71.57323	1.2
73.02914	2.0
75.88559	0.6
76.17159	0.6
81.03465	1.4
81.04540	47.5
85.02913	5.7
87.04438	0.8
97.02883	2.3
97.44138	0.6
98.97565	1.3
109.02898	0.9
116.98619	0.7
119.01885	0.7
122.07151	32.2
124.08723	1.1
127.03905	1.8
131.01889	0.9
140.08185	100.0
141.08583	1.2
144.10208	6.6
160.09683	1.4
173.03049	0.7
184.90096	0.5
204.03036	0.6
222.06746	0.7
261.08276	0.7
279.09387	1.3
302.13504	72.9
303.10513	1.3
303.13696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
53.86390	1.6
55.01867	16.9
55.05507	5.2
56.05035	3.0
56.96568	4.3
57.03429	5.0
61.01588	1.6
61.02925	4.6
65.03938	3.3
67.05506	18.0
69.03429	27.0
69.07068	17.2
70.06591	7.4
71.04991	2.9
71.57708	2.9
72.08161	3.8
72.11509	1.6
73.02923	3.1
79.05481	8.8
81.03412	5.2
81.04544	6.3
81.07046	4.9
84.04491	3.0
84.08157	6.5
85.02892	14.0
86.09728	1.9
87.04453	1.6
91.05466	5.5
93.07036	4.2
94.02939	8.3
94.06577	8.3
95.04964	13.8
95.08601	3.7
96.04490	7.0
96.08133	2.7
97.02912	9.1
97.06531	82.9
98.06064	1.9
98.06732	2.0
99.04459	1.6
102.09182	2.0
105.07043	2.7
107.04925	1.8
109.02878	2.1
109.06493	3.6
110.06062	3.0
110.07217	1.8
111.08086	25.9
112.03970	2.4
112.07600	22.7
116.07104	2.9
121.06535	2.1
122.02875	1.5
122.06030	61.9
122.07054	4.2
123.04437	4.9
123.08073	11.8
124.07605	17.1
125.09600	2.1
127.03924	8.0
128.42012	1.6
129.00699	1.7
133.05324	1.9
134.06001	8.4
134.99710	2.6
135.04468	2.3
135.06790	6.6
136.07585	2.4
137.05934	3.9
139.02103	4.4
139.03889	2.8
140.07080	100.0
140.08176	15.4
141.05418	2.2
141.69701	1.7
147.02596	4.3
149.05946	1.6
151.02141	7.1
151.07466	1.6
152.07063	7.8
154.04999	3.4
154.08600	2.4
158.08167	9.8
161.07271	1.6
164.07074	2.7
165.03775	3.1
166.03236	2.7
168.06552	19.5
175.02155	3.2
177.00677	2.4
177.16061	1.7
179.01611	4.7
182.08076	8.6
193.03201	5.5
194.08220	5.0
197.02762	3.1
198.07730	2.5
199.01697	8.1
205.08731	1.7
225.82069	1.7
239.03687	4.9
239.94736	1.6
248.09142	3.2
256.06348	15.2
273.09073	3.7
285.04349	3.4
302.06976	4.6
302.12183	11.1
303.10229	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03408	1.8
61.76776	1.7
64.25196	1.7
65.03923	3.8
67.05503	48.7
69.03425	21.7
69.07062	11.4
69.94387	10.7
81.03395	9.0
81.07044	2.0
84.08142	4.0
85.02905	48.1
86.09715	1.8
94.06558	2.6
95.04367	4.0
95.04965	70.4
97.02294	3.0
97.02895	47.9
98.97579	2.1
103.03954	3.7
104.02777	1.5
109.02856	9.3
112.06827	2.5
112.07605	39.7
113.05976	5.1
122.06006	2.5
123.04378	4.3
124.07571	5.0
127.03896	10.2
136.07573	2.9
139.03905	3.1
140.07063	100.0
145.04962	2.7
154.08601	10.9
156.26842	1.9
178.08597	3.9
182.08130	70.3
199.01735	3.8
206.08110	14.8
206.57152	1.8
218.08049	2.4
236.09001	3.2
248.09160	9.3
267.11279	3.5
303.05084	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	5.0
53.80715	3.7
55.01868	3.7
56.05041	3.9
56.96571	5.1
57.03434	9.1
61.02929	7.3
65.03945	6.2
67.05505	26.0
68.41373	4.1
69.03417	19.5
69.07040	4.2
70.06596	7.6
71.10577	5.0
71.10940	10.0
73.02937	4.0
79.05496	9.4
79.70100	3.3
81.03420	15.5
81.07055	14.4
85.02903	100.0
86.06118	3.7
86.09676	4.4
87.04517	4.2
89.46894	3.6
91.05519	9.4
93.05809	4.7
93.07049	3.8
94.06555	6.3
95.04973	16.0
97.02891	57.1
97.06524	5.6
98.06029	4.1
99.08077	4.2
103.03969	5.9
108.08124	21.0
109.02878	17.8
109.06525	4.7
109.10195	4.6
110.06024	8.3
118.06560	4.5
119.04954	3.9
119.08615	4.4
120.04477	9.0
121.06569	4.7
122.06052	18.2
123.04420	14.7
124.07631	7.6
125.05956	8.4
126.05515	6.7
126.09190	4.9
127.03925	23.0
131.22667	4.0
134.06010	7.4
136.07576	27.0
137.06015	6.3
137.09587	7.4
139.03954	7.7
140.07068	64.0
141.07838	4.5
142.08649	8.4
145.04984	11.5
150.06387	5.2
150.09142	6.9
151.03883	11.2
152.07065	23.6
154.08644	12.6
162.05505	88.2
164.07056	30.1
165.05499	4.7
178.05898	4.5
178.08600	24.1
182.06615	7.4
182.08142	95.9
191.93263	4.3
202.44554	3.7
206.08124	39.9
218.08168	4.5
248.09106	11.1
258.17035	19.4
302.11328	9.5
303.05060	5.8
303.13358	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47451	1.6
57.03429	1.7
61.02925	4.1
61.37413	1.4
63.29438	1.7
65.03925	2.1
67.05503	39.8
67.85767	1.6
68.21938	1.4
69.03431	19.5
69.07064	8.6
70.04084	7.2
81.03412	7.3
84.08106	2.3
84.10355	1.7
85.02901	48.9
94.06545	2.8
95.04968	68.1
95.22904	1.6
97.02890	39.3
98.21503	1.8
103.03934	5.3
109.02860	9.6
112.07596	39.9
113.06039	2.9
122.05996	2.1
123.04427	2.4
124.07585	2.8
127.03932	8.2
136.07570	3.0
139.03905	3.9
140.07063	100.0
141.07455	2.7
141.99474	1.7
145.04948	2.7
151.03876	3.3
152.04242	2.0
154.08635	9.2
164.07054	1.8
178.08643	4.7
182.08130	73.2
199.01714	12.0
206.08090	14.9
218.08080	2.1
227.01292	3.3
236.09097	2.7
245.02223	2.6
248.09157	12.1
256.03653	2.0
267.11093	1.8
302.12350	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
54.90296	1.2
55.01861	5.1
55.05520	8.5
57.03433	12.1
67.05503	34.2
69.03419	4.0
69.07086	9.0
69.29376	1.5
69.29707	15.4
71.04604	1.9
71.04990	30.2
72.01251	1.3
79.05490	23.1
81.03434	1.5
81.07053	44.5
83.04976	3.5
83.08598	5.5
85.06541	3.9
89.65377	1.3
91.05482	26.5
93.07041	27.1
95.04955	6.9
95.08602	10.3
97.06517	6.0
97.10152	1.9
98.21555	2.8
102.81484	1.3
103.05478	1.8
104.06609	1.2
105.07024	32.0
106.07341	2.0
107.04951	100.0
107.08591	14.2
108.05266	2.5
109.06507	5.0
109.10158	11.1
111.08072	3.0
117.07004	5.5
119.08573	3.2
121.06454	1.6
121.10142	5.1
123.04407	1.7
123.08060	1.9
123.11707	6.7
125.09616	2.1
131.08536	6.4
133.06491	73.0
133.10123	20.1
135.11682	5.1
136.88240	1.5
145.06425	1.6
145.10149	2.8
147.11719	1.6
149.05904	1.8
149.13251	7.9
151.11169	33.2
153.06934	2.9
157.06480	3.5
157.10077	1.6
159.11655	8.5
163.11189	2.6
165.05507	6.7
165.09116	1.6
167.08429	1.4
170.07323	1.3
177.12755	9.0
181.04959	11.4
181.06403	2.6
183.08040	1.5
183.13783	5.9
187.13300	6.5
189.12819	1.5
191.07004	1.4
193.35538	1.4
195.07986	1.5
195.13864	1.9
197.06059	1.5
201.14705	2.4
209.09604	5.0
209.28081	1.3
211.07570	1.6
213.09294	1.6
223.07462	1.8
223.11160	1.8
241.08536	2.5
257.17477	10.9
265.15833	3.4
269.17426	5.5
283.16901	14.7
301.07413	1.3
301.10754	7.1
301.14651	1.4
301.17609	4.4
301.20569	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	301.1797
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
55.01867	1.5
55.05495	1.1
57.03389	0.8
67.05506	5.3
69.07065	2.1
70.25526	3.7
71.04968	2.4
79.05490	5.0
81.07056	6.2
83.04976	1.0
91.05473	4.8
93.07040	10.1
95.04972	3.7
95.08609	1.7
103.05499	1.1
105.07035	18.0
107.04955	100.0
107.08588	3.2
108.05243	1.4
109.06520	3.4
109.10152	3.5
119.08581	1.7
120.88718	0.7
121.06470	1.7
121.10179	1.2
123.08060	1.5
123.11708	0.9
129.07005	1.0
131.08583	2.1
133.06496	72.3
133.10133	11.1
134.06842	1.2
137.09566	1.9
145.10178	1.4
147.08087	1.7
151.09976	1.1
151.11185	22.6
154.18513	0.7
157.06512	3.1
159.11673	1.8
171.11670	1.4
177.12749	4.4
183.08189	0.9
189.12889	1.4
194.07057	0.8
209.09671	4.4
223.11183	0.9
225.12714	1.2
227.10704	1.9
265.15851	4.9
267.07050	0.7
283.16934	17.6
301.17914	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1797
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
53.03937	4.2
53.87452	1.4
54.79721	1.6
55.01867	5.4
55.05514	9.1
56.96561	2.3
57.03437	11.4
65.03909	1.6
67.05508	31.6
67.05872	1.9
69.03423	9.2
69.07069	9.7
69.87263	3.2
69.87677	5.7
71.04993	18.3
79.05492	23.2
81.03408	3.4
81.07062	34.1
83.05000	7.4
83.08622	5.2
84.04513	7.2
84.08102	1.4
85.02906	2.0
85.04850	2.2
85.06541	3.3
91.05485	26.8
91.06018	2.6
93.07047	32.2
95.04964	9.5
95.08606	8.7
97.02905	1.9
97.06510	6.7
97.10165	2.2
99.04469	1.7
103.05504	2.0
105.07037	32.8
107.04958	100.0
107.08593	15.7
109.06541	3.8
109.10156	10.4
110.22747	1.6
111.04469	5.1
111.08100	3.1
115.05447	2.8
117.07045	5.4
119.04940	2.5
119.08579	8.0
121.06528	6.3
121.10128	11.0
123.04469	2.6
123.08067	2.6
123.11700	3.1
125.05995	2.0
125.09633	2.5
127.03928	1.7
129.07016	4.6
130.07788	1.6
131.04924	2.6
131.08583	10.1
133.06491	77.3
133.10147	18.4
135.04442	2.5
135.08086	2.8
135.11702	7.3
137.05965	3.2
137.09639	2.3
139.03868	2.0
141.06998	1.9
143.08582	3.0
145.06523	2.1
145.10156	12.9
147.04482	1.6
147.08058	3.5
147.11676	2.4
149.05989	3.4
149.09621	3.6
149.13254	4.3
151.03917	2.6
151.11183	24.1
152.06265	3.1
153.05478	2.5
153.07013	6.1
153.12759	2.9
157.06543	3.2
159.08118	2.4
159.11659	7.9
161.05963	3.4
163.03853	2.3
163.11226	10.6
165.05490	7.2
165.07042	3.8
169.06512	2.1
170.07146	1.7
171.11696	3.4
173.09668	5.3
173.13243	2.1
177.12772	6.5
181.04984	12.3
181.06546	8.8
181.12274	2.5
183.07997	1.7
183.13872	2.2
185.13541	1.4
187.13275	3.2
189.12732	3.6
191.03418	1.9
191.06981	1.9
191.10721	2.6
195.08150	2.9
195.13718	1.7
197.06041	2.9
198.06717	3.2
199.11179	1.6
208.05302	2.4
209.06047	3.0
209.09567	2.7
211.07526	2.7
213.09116	4.1
215.07109	1.3
215.94316	1.6
223.11290	1.7
225.05519	2.3
226.06288	5.2
227.06905	1.6
227.10696	2.9
227.12775	2.1
239.28329	1.4
241.08508	6.6
255.11121	2.1
257.17563	4.2
265.15878	4.6
269.08044	2.3
269.17532	2.6
283.16980	14.9
301.07257	2.1
301.10727	29.0
301.17926	2.5
301.21402	4.2
301.25302	2.3
302.11313	3.3
304.94470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1796
Annotation	(3R,5R)-1-(4-Hydroxyphenyl)-7-phenyl-3,5-heptanediol
Peak:m/z	Relative Intensity
50.66957	0.6
53.03946	1.4
54.26031	0.7
55.01867	2.0
55.05501	2.0
58.70901	0.7
62.05548	0.7
63.42225	0.7
67.05496	2.6
69.07062	2.0
69.48561	2.0
69.48987	4.3
75.86440	0.6
79.05502	4.9
81.07056	3.5
91.05471	3.6
93.07051	10.3
95.04970	3.6
95.08598	1.3
97.10133	0.8
103.05481	1.8
105.06335	0.7
105.07032	24.0
107.04956	100.0
107.08574	3.2
108.05296	0.9
109.06513	2.9
109.10184	2.0
117.07055	0.8
119.08563	2.2
121.06525	1.1
121.10129	1.4
123.08087	1.4
125.09647	0.8
131.08580	2.0
133.06496	85.7
133.10121	14.4
134.06850	1.5
137.09685	0.7
145.10141	2.3
147.08014	0.8
151.11183	27.8
152.11475	1.0
157.06520	1.7
159.11711	1.8
165.05446	1.9
171.11699	1.3
177.12773	3.1
189.12752	3.5
209.09630	2.6
225.12761	0.7
227.10698	2.4
265.15851	4.3
283.16965	21.1
301.18155	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01870	13.3
55.05510	100.0
56.96556	3.1
57.03437	34.2
59.04982	3.6
67.05499	51.7
69.03417	7.4
69.07069	19.3
69.55499	17.5
71.01341	4.7
71.04984	4.5
75.04470	7.4
79.05492	49.0
81.03409	8.3
81.07051	36.2
83.04981	15.4
83.08617	24.2
85.02431	2.6
85.02903	31.5
85.06534	4.7
87.04476	14.1
91.05470	14.2
93.07044	12.0
95.04965	6.5
95.08595	14.4
97.06528	5.7
97.10167	64.2
103.03941	18.3
105.07014	10.2
106.35185	1.9
107.04942	12.5
107.08591	35.6
109.06488	2.9
109.10165	15.2
111.04405	6.8
111.08060	3.7
117.07007	5.4
119.08552	6.0
121.10133	6.8
123.08035	4.8
125.09619	55.9
131.08549	5.7
133.06444	5.5
133.10101	5.4
135.08006	2.2
135.11688	10.3
136.52788	2.1
137.09671	2.2
139.11140	2.0
143.10641	6.1
145.10106	7.4
151.11177	2.2
153.12704	3.4
163.11172	14.5
165.05464	6.6
178.78899	2.3
179.37096	2.5
181.12254	6.1
182.87199	2.0
189.11232	4.6
191.10638	5.3
199.13332	5.4
209.11739	6.6
217.14357	2.6
227.12735	9.2
257.13757	8.6
283.15503	3.5
301.10553	3.0
301.13467	2.0
301.16431	30.1
301.21594	3.8
301.24799	2.3
301.29239	3.2
302.17136	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
54.77052	0.4
55.01868	4.2
55.05511	22.6
57.03435	7.8
57.07067	0.4
59.04992	0.7
65.03935	0.5
65.93835	0.4
67.05506	14.6
69.03432	1.6
69.07063	4.9
70.06604	0.6
71.01372	1.0
71.04984	1.3
71.59304	0.5
75.04476	1.5
77.03934	0.6
79.05492	12.9
81.03420	1.2
81.07056	11.8
83.04974	3.8
83.08623	4.7
85.02905	5.8
85.06550	0.7
87.04469	2.3
91.05478	6.0
93.07044	12.2
95.04965	5.5
95.08600	4.7
97.02964	0.5
97.06528	1.7
97.10172	13.4
103.03958	3.6
103.05482	1.5
105.07030	24.9
107.04953	100.0
107.08592	7.8
108.05254	0.8
109.06532	3.0
109.10165	5.8
111.04443	0.7
115.05447	0.6
117.07020	1.5
119.08586	3.0
121.06482	2.1
121.10107	2.4
123.04466	0.6
123.08105	2.1
123.11690	0.8
125.09624	11.6
129.05479	0.5
129.07030	0.8
131.04948	0.7
131.08569	2.7
133.06491	72.2
133.10117	9.8
134.06856	0.9
135.04387	0.7
135.08087	1.0
135.11685	1.9
137.09612	2.0
139.11191	0.6
143.08539	0.8
143.10663	1.3
145.06491	1.4
145.10109	2.8
147.04485	0.4
147.08031	1.7
149.09648	0.8
149.13239	0.6
151.11180	20.1
152.06210	0.5
153.12704	1.1
155.08516	0.7
157.06476	3.6
159.08046	0.7
159.11679	2.1
161.05954	0.8
163.11186	3.6
165.05507	2.5
165.06810	0.7
167.08556	0.6
171.08055	0.9
171.11736	1.1
173.09547	0.7
177.12761	4.6
181.12225	1.3
183.08032	0.5
185.09575	0.5
189.11192	0.9
189.12790	1.5
191.07008	1.0
191.10663	0.6
194.07294	0.5
195.08104	0.8
199.07527	0.6
199.13376	1.0
209.09625	4.6
209.11743	1.7
213.09172	0.4
217.14577	0.5
219.07428	0.4
223.09164	0.4
223.11240	1.0
225.12776	1.3
227.10634	1.8
227.12811	1.8
229.07466	0.4
240.23280	0.7
242.28981	0.4
257.13834	1.2
265.15900	4.1
269.12891	0.6
283.16959	14.3
301.07239	0.6
301.10745	1.2
301.16870	4.9
301.17474	4.8
301.29178	2.0
317.12878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Dendronobilin M
Peak:m/z	Relative Intensity
55.01871	9.2
55.05501	20.2
56.96576	6.1
57.03437	14.7
59.05005	3.2
63.10478	3.4
65.03944	3.0
66.92806	3.3
67.05161	6.0
67.05505	53.2
69.03429	18.1
69.07076	16.3
71.04993	43.4
71.59258	4.2
79.05499	38.9
81.07053	64.5
83.04979	14.2
83.08617	10.7
84.04486	8.1
85.02905	5.4
85.06533	6.1
86.44427	3.7
91.05476	47.9
91.06374	3.9
93.07047	46.3
95.04951	17.8
95.08604	28.3
97.06534	11.8
97.10180	4.0
103.05428	5.8
105.07021	48.2
107.04950	63.0
107.08592	36.5
109.02757	3.1
109.06523	16.6
109.10175	11.0
111.04463	3.6
115.05505	3.1
117.07024	15.0
119.04930	10.4
119.08611	19.5
121.06520	20.5
121.10142	15.4
121.82706	3.3
123.04443	9.5
123.08082	3.7
123.11724	9.2
124.05253	4.0
125.09636	4.0
129.06984	7.8
131.04961	8.2
131.08585	14.8
133.06488	100.0
133.10136	27.2
135.04451	5.3
135.08087	5.9
135.11694	16.3
137.06018	9.0
137.09615	5.6
139.03880	8.6
143.08563	8.1
145.06508	6.0
145.10130	23.6
147.04424	14.4
147.08096	5.7
147.11737	6.6
149.01245	3.8
149.06039	6.5
149.09659	5.9
149.13271	11.4
151.03952	9.1
151.11169	15.8
152.06126	4.8
153.05443	5.8
153.06990	17.2
155.07088	4.0
155.08546	6.1
157.10161	9.1
158.07259	4.8
159.11736	21.5
161.05997	6.0
163.03908	13.3
163.11133	16.2
165.05510	14.7
165.07021	15.5
165.09091	6.2
167.08554	4.0
169.06529	6.3
170.07243	4.6
171.07906	4.0
171.11749	6.4
175.11217	4.1
177.05505	4.9
177.12769	6.8
181.04964	6.3
181.06442	28.5
181.12260	11.5
182.07236	5.7
183.08104	7.3
185.13354	4.4
187.07588	5.9
187.13310	4.2
189.12714	3.7
191.03381	9.9
191.07062	6.8
191.10701	5.1
195.08054	9.4
195.13800	4.2
197.05995	7.7
197.09607	3.9
198.06796	15.1
199.07393	5.5
199.14836	4.1
203.14357	3.9
205.12315	4.1
209.06015	7.6
211.07596	5.2
213.09036	11.7
213.12791	3.5
215.07050	4.0
223.07558	7.1
225.05414	4.5
226.06233	13.2
227.06973	5.8
227.12778	10.0
241.08531	21.3
243.06609	7.3
254.05836	3.9
255.11192	4.5
257.17416	6.6
258.08795	3.7
259.06009	4.3
265.15982	3.8
269.08167	14.8
269.17545	7.4
273.11279	4.1
283.17023	9.7
283.20490	6.5
286.08334	3.6
301.07242	6.2
301.10709	91.3
301.14481	6.0
301.18024	12.3
301.21536	28.1
302.11096	7.7
313.59167	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.7
55.01867	20.6
55.05513	26.8
55.80431	2.2
56.96557	4.2
57.03438	36.8
57.12590	2.3
65.03941	6.8
67.05508	82.5
68.99801	3.3
69.03429	57.4
69.07069	24.0
70.06593	2.5
70.54748	2.6
70.55101	8.5
71.01360	3.3
71.04987	9.0
79.05495	100.0
81.03421	20.1
81.06585	4.1
81.07059	65.5
83.04977	36.4
83.08618	7.6
85.02901	8.3
85.06542	9.2
86.09722	2.3
87.04472	3.1
91.05482	50.6
93.07043	87.3
95.04971	28.0
95.08603	38.7
97.02898	9.6
97.06522	23.6
97.10165	5.2
98.97556	12.3
99.04442	10.2
99.08063	2.6
103.03957	2.8
103.05471	5.2
105.07034	22.9
107.04961	56.5
107.08593	40.4
109.02892	4.1
109.06505	9.5
109.10166	11.7
111.04445	41.9
111.08067	9.3
111.11749	5.8
113.06030	4.1
115.05471	4.0
116.98621	10.2
117.07009	24.3
119.04944	5.7
119.08582	31.2
121.06529	10.2
121.10145	90.0
121.11030	4.5
123.04443	8.1
123.08066	8.5
123.11680	2.5
125.05980	7.4
125.09657	7.6
128.06200	2.5
129.05513	3.4
129.07030	6.7
130.07832	6.0
131.04915	5.6
131.08565	21.9
133.10126	9.5
134.99652	4.8
135.04416	8.1
135.08052	7.2
135.11703	51.4
137.02394	4.7
137.05974	24.5
137.09613	3.6
139.03885	13.3
139.07581	3.9
139.11186	18.2
141.06993	2.8
143.08589	6.8
145.06508	11.9
145.09035	4.9
145.10124	63.1
147.04434	3.0
147.08051	6.3
147.11659	3.6
149.05995	9.2
149.09619	14.0
151.03908	12.1
151.11140	3.2
152.06245	6.4
153.05658	2.2
153.06967	9.8
153.12712	15.5
155.08563	10.7
158.99655	3.2
159.11694	5.1
161.13289	2.1
163.03897	14.3
163.11188	68.9
165.05502	7.5
165.07031	7.1
166.92169	3.1
167.08586	4.0
167.10582	3.9
169.06419	3.3
170.07251	5.2
171.11716	2.6
173.09648	29.9
173.13203	3.0
175.07478	3.1
177.00705	3.5
177.05475	8.0
178.05023	4.9
181.05025	4.6
181.06497	10.7
181.12224	25.6
185.11740	8.2
185.13242	2.5
191.03407	20.6
191.10654	26.1
195.08075	4.3
195.92407	3.3
196.05313	2.4
197.06061	5.6
197.13321	3.0
198.06755	8.0
203.12726	2.9
204.90121	6.0
205.04950	2.9
209.05956	5.6
209.11702	21.2
211.07404	3.1
212.88300	5.3
213.05489	4.0
213.09033	4.6
217.05089	3.6
226.06183	6.7
227.07019	3.2
227.12781	26.9
240.87590	26.3
241.04849	5.4
241.08670	5.6
245.08188	3.6
245.13867	32.5
247.90712	13.0
255.06517	3.3
255.11368	6.9
255.21075	2.5
259.05975	4.8
269.08078	3.6
273.07663	4.1
283.05914	3.4
283.15451	6.1
283.20755	2.5
283.88336	52.3
284.88950	5.0
286.04874	4.0
287.05286	2.8
290.09143	3.6
294.42728	2.5
300.90997	24.0
301.07068	12.6
301.10742	35.1
301.16376	56.3
301.21765	10.5
302.10797	2.8
302.16815	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.2
54.90030	2.7
54.95586	2.7
55.01876	14.3
55.05510	29.8
56.96565	6.1
57.03446	22.0
57.07077	3.9
57.96698	2.9
64.57735	2.8
65.03947	5.7
67.05508	55.2
68.99802	3.3
69.03426	60.6
69.07069	23.9
69.40038	6.0
69.40438	25.0
71.01337	3.0
71.04993	10.6
76.88170	3.1
79.05493	74.6
81.03425	14.1
81.07050	65.1
81.56917	2.9
83.04967	19.5
83.08621	8.8
85.02913	5.9
85.06554	8.1
86.09659	2.6
91.05480	54.8
91.20877	2.7
93.03413	3.5
93.07050	71.7
95.04980	30.9
95.08602	31.2
97.02896	13.9
97.06522	18.0
97.10190	9.9
98.20731	5.6
99.04462	11.8
103.05481	11.7
105.07029	39.9
107.04961	61.7
107.08606	40.1
109.02863	3.2
109.06509	8.3
109.10170	15.4
111.04445	23.3
111.08099	9.5
111.11653	2.9
115.05458	8.8
115.97668	2.8
117.07030	18.2
118.07402	3.0
119.04954	11.5
119.08563	38.0
121.06512	23.8
121.10140	65.3
122.03713	3.1
123.04456	10.8
123.08058	7.5
125.09642	7.4
128.06252	5.0
129.07022	7.3
130.06602	3.4
130.07837	7.1
131.04935	23.7
131.07329	5.0
131.08575	27.0
133.06509	33.4
133.10086	16.7
135.04514	14.6
135.08066	8.7
135.11670	43.8
137.02347	17.1
137.05984	60.9
137.09669	6.1
139.03935	16.9
139.11180	11.7
141.07037	4.4
142.07755	4.0
143.08592	11.8
145.04951	5.9
145.06479	16.1
145.10126	55.7
147.04395	7.4
147.08061	6.4
147.11671	10.8
149.06018	13.8
149.09631	15.6
151.03943	17.6
151.07527	28.0
151.11104	5.2
152.06192	7.3
153.05685	3.1
153.07014	15.9
153.12755	9.1
155.08580	11.6
157.06570	6.4
157.08878	3.1
157.10138	11.3
159.11687	18.1
161.05992	6.3
161.09616	7.5
163.03906	15.3
163.07571	16.6
163.11201	53.3
165.05510	15.1
165.06993	13.4
165.09154	4.7
167.08546	4.6
169.06485	9.2
171.11754	4.2
173.05951	4.4
173.09633	25.5
173.13280	6.8
175.11105	6.2
177.05507	10.3
177.09120	60.3
177.12669	3.2
181.04968	6.4
181.06374	21.5
181.12250	26.8
183.07991	6.2
185.11760	6.0
185.13315	4.6
186.12744	4.7
187.11218	4.8
187.14842	4.3
189.05475	5.1
189.12759	5.7
191.03433	35.5
191.07306	3.7
191.10635	20.3
195.08099	5.2
197.06001	8.6
198.06754	12.5
199.14914	5.4
201.12720	4.9
205.08698	3.2
206.08923	7.8
207.07550	4.5
207.09346	6.7
209.05936	5.8
209.11812	19.0
211.05203	5.3
211.07390	6.8
213.09152	7.4
214.12213	10.0
215.06888	6.9
215.14218	3.4
226.06343	9.3
227.06847	3.0
227.12885	14.7
240.10201	4.6
241.06258	6.0
241.08765	13.3
243.06528	4.1
245.04231	3.8
245.13800	15.5
251.07004	4.6
255.11264	20.5
255.20836	3.9
258.11307	8.9
259.06009	9.3
259.10889	5.0
269.08154	10.2
270.10043	5.3
272.07877	38.8
273.12265	5.6
283.10477	12.2
283.15604	5.4
283.20673	8.6
286.07947	9.4
301.07126	6.6
301.11203	100.0
301.16675	24.7
301.21561	45.7
302.11655	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.3
57.03413	3.5
67.05492	5.8
68.69585	2.7
69.79957	19.0
72.50051	2.9
75.90187	2.5
78.60833	3.1
79.05487	4.7
81.07056	7.0
83.04998	3.0
85.02924	4.5
88.07633	6.1
90.66622	3.1
93.07056	3.7
97.10171	7.0
100.96427	3.1
103.03888	2.9
104.36806	3.5
107.08612	4.4
117.06998	3.8
123.59714	3.3
125.09547	4.7
128.06218	5.8
141.06946	3.8
143.08537	6.3
146.96971	2.8
152.06233	11.0
153.07008	24.6
156.08115	4.4
162.89313	2.8
167.07327	6.6
168.08159	6.6
169.08890	10.0
170.09657	100.0
179.26099	2.8
183.09117	7.8
184.07602	10.7
197.07990	6.1
198.09137	63.9
199.09958	10.5
200.09381	5.8
215.11755	15.6
226.12338	11.9
236.18651	3.1
240.13901	5.3
241.14696	8.5
259.10300	4.3
302.30536	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1067
Annotation	3',4'-Dimethoxy-3'-hydroxy-4,5-methylenedioxystilbene
Peak:m/z	Relative Intensity
53.03942	1.1
55.01860	1.2
55.05495	0.8
65.03941	1.1
65.40222	0.6
67.01854	5.8
67.05491	1.9
68.56403	0.5
68.99773	1.6
69.03415	1.4
69.86404	3.6
73.79852	0.5
79.05493	11.0
81.07064	2.6
83.01345	1.6
91.05466	2.8
92.06255	1.2
93.03413	2.9
94.04108	0.6
95.04970	2.4
103.05503	2.6
105.07022	6.3
107.04948	7.6
107.08587	0.9
109.06503	0.9
110.03670	0.9
115.05455	2.3
117.07002	1.6
119.04909	1.3
120.05742	2.9
121.02810	0.7
121.06461	0.7
123.04428	7.8
128.06221	0.8
129.07033	0.7
131.04875	1.3
133.06485	10.3
135.04417	12.0
135.08052	1.2
137.05960	2.7
145.06476	1.6
147.04387	7.6
148.05243	3.6
149.05977	1.4
157.06502	0.8
159.04453	0.9
160.05212	0.6
161.05977	21.0
163.07545	5.2
165.05478	100.0
166.05832	1.3
167.07071	1.5
167.08537	1.7
170.07201	0.8
171.07988	0.8
173.05989	1.9
176.04692	9.9
177.05423	1.8
177.06946	0.7
179.08525	0.6
179.10722	0.6
181.06477	1.3
182.07266	0.6
184.05243	0.6
185.05940	1.3
191.07033	33.0
192.07686	1.8
195.08041	2.3
197.05971	1.0
198.06775	2.1
199.07631	3.6
201.05440	1.1
210.06645	0.7
213.05547	0.6
213.09111	2.8
223.07584	2.5
224.08293	0.8
225.09152	0.6
226.06252	3.3
227.07014	1.1
240.07803	2.0
241.08609	6.7
244.36090	0.6
251.07056	2.6
253.04948	1.2
253.08562	0.9
254.05815	1.2
268.07178	0.6
269.08109	17.9
270.08563	0.7
286.08401	1.5
301.10699	38.7
302.10721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01868	4.1
57.03429	0.7
65.03940	0.8
67.01846	0.8
67.05502	2.8
68.99786	2.5
69.03434	4.1
71.04986	1.3
79.05489	6.9
81.03404	1.9
81.07068	2.6
89.03912	0.8
91.05475	3.7
93.03391	0.8
93.07040	1.7
95.04969	5.0
95.08604	0.7
103.05456	0.6
105.07008	1.7
107.04284	0.8
107.04956	8.8
107.08521	1.0
109.02893	1.2
109.10184	0.7
117.06992	0.6
118.04088	0.6
119.04929	0.8
119.08565	1.0
121.02869	0.9
121.10150	0.6
121.46739	0.6
123.04443	1.2
127.03912	0.9
129.06944	1.2
131.04924	2.1
131.08609	0.9
133.06517	1.2
133.10086	1.2
134.03581	0.6
135.04404	15.1
137.02342	26.1
137.03392	1.9
138.02696	0.6
139.03899	1.1
141.01811	0.8
145.02823	2.4
145.06448	0.7
145.10086	1.2
149.05981	1.4
151.03937	1.1
151.11171	0.6
152.06125	0.6
153.07016	0.9
157.06471	1.2
159.04442	0.6
159.11656	0.9
161.06012	1.3
163.03905	25.5
165.01836	2.7
165.05482	18.7
165.06842	1.0
167.04854	0.5
169.06476	0.8
171.04489	0.6
173.13342	0.8
177.05403	0.6
181.06488	1.9
183.02919	2.9
183.04274	0.6
185.05951	2.4
187.03920	3.2
189.05428	0.8
191.03391	100.0
192.03780	2.9
195.04314	0.9
197.05960	0.8
198.06683	0.9
199.03801	0.6
209.06050	0.6
213.05458	3.8
213.09004	0.7
217.04962	3.7
226.06233	0.8
241.04997	2.3
241.08545	1.0
242.09207	0.6
259.06027	18.3
301.07022	9.4
301.10706	5.8
301.14435	0.7
301.21655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Peltochalcone
Peak:m/z	Relative Intensity
51.02386	0.4
51.50404	0.5
53.03934	2.1
55.01865	5.0
55.05507	2.9
57.03432	2.4
57.65969	0.5
65.03937	0.8
66.02267	0.5
67.05183	0.4
67.05506	7.2
68.99788	3.7
69.03424	4.9
69.07066	2.4
69.76939	3.4
71.04987	1.0
73.02914	0.6
77.03905	0.6
79.05489	13.4
81.03410	3.7
81.07058	7.0
83.01390	0.6
83.04966	1.6
83.08619	1.0
85.06502	0.5
89.03895	1.0
91.05478	5.6
93.03382	1.7
93.07043	8.0
95.04971	7.3
95.08608	5.5
97.06508	1.5
103.05451	1.6
105.07027	5.0
107.01291	0.6
107.04954	15.4
107.08574	5.3
108.05170	0.5
109.02870	2.1
109.06503	1.0
109.10146	1.8
111.04442	0.8
115.05425	0.7
117.03385	1.4
117.07009	2.6
119.04959	0.7
119.08588	4.1
121.02843	1.4
121.06493	1.7
121.10132	3.9
123.04430	2.2
123.07967	0.5
125.09703	0.6
127.03864	1.3
128.06239	0.9
129.06987	2.0
130.07791	0.7
131.04924	3.3
131.08554	2.5
133.06483	5.0
133.10127	1.7
135.04414	17.3
135.08051	0.6
135.11687	5.1
137.02347	31.9
137.03389	2.2
137.06003	0.8
139.03889	0.8
139.05464	0.8
141.01871	0.9
141.06982	0.6
142.07748	0.7
143.04843	0.5
143.08554	1.1
145.02834	2.7
145.06451	1.6
145.10123	8.2
147.04451	0.6
147.08040	0.7
147.11716	1.0
149.05974	1.3
151.03819	0.8
152.06236	1.0
153.07007	1.9
155.08539	1.5
157.06474	1.1
157.10123	0.8
159.11714	2.7
161.05975	0.9
161.09612	1.1
163.03905	33.7
163.11179	7.9
164.04239	0.8
165.01863	2.4
165.05473	15.6
165.06873	0.9
171.04413	1.2
171.11646	0.9
173.05931	0.8
173.09607	3.4
173.13260	0.5
175.11194	0.7
181.06433	1.1
181.12242	1.6
183.02925	2.5
183.04305	0.5
184.18333	0.5
185.01176	0.8
185.05957	2.1
185.13219	0.9
187.03888	3.6
189.05527	0.8
191.03392	100.0
191.10686	2.1
192.03687	2.8
198.06729	0.6
199.03886	0.7
199.14853	0.8
203.06877	0.7
203.14545	0.6
207.56468	0.5
209.11711	0.8
211.07663	0.6
213.05475	4.8
213.08968	0.5
217.05005	4.1
220.55171	0.6
226.06198	0.8
227.06821	0.5
227.12711	4.9
227.17941	0.7
241.04947	2.8
241.08624	0.9
259.06021	20.4
260.06412	0.7
283.15436	0.5
301.07065	10.3
301.10693	4.2
301.16519	3.2
301.21567	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	301.0705
Annotation	Peltochalcone
Peak:m/z	Relative Intensity
53.03930	1.4
55.01868	4.1
57.03429	0.7
65.03940	0.8
67.01846	0.8
67.05502	2.8
68.99786	2.5
69.03434	4.1
71.04986	1.3
79.05489	6.9
81.03404	1.9
81.07068	2.6
89.03912	0.8
91.05475	3.7
93.03391	0.8
93.07040	1.7
95.04969	5.0
95.08604	0.7
103.05456	0.6
105.07008	1.7
107.04284	0.8
107.04956	8.8
107.08521	1.0
109.02893	1.2
109.10184	0.7
117.06992	0.6
118.04088	0.6
119.04929	0.8
119.08565	1.0
121.02869	0.9
121.10150	0.6
121.46739	0.6
123.04443	1.2
127.03912	0.9
129.06944	1.2
131.04924	2.1
131.08609	0.9
133.06517	1.2
133.10086	1.2
134.03581	0.6
135.04404	15.1
137.02342	26.1
137.03392	1.9
138.02696	0.6
139.03899	1.1
141.01811	0.8
145.02823	2.4
145.06448	0.7
145.10086	1.2
149.05981	1.4
151.03937	1.1
151.11171	0.6
152.06125	0.6
153.07016	0.9
157.06471	1.2
159.04442	0.6
159.11656	0.9
161.06012	1.3
163.03905	25.5
165.01836	2.7
165.05482	18.7
165.06842	1.0
167.04854	0.5
169.06476	0.8
171.04489	0.6
173.13342	0.8
177.05403	0.6
181.06488	1.9
183.02919	2.9
183.04274	0.6
185.05951	2.4
187.03920	3.2
189.05428	0.8
191.03391	100.0
192.03780	2.9
195.04314	0.9
197.05960	0.8
198.06683	0.9
199.03801	0.6
209.06050	0.6
213.05458	3.8
213.09004	0.7
217.04962	3.7
226.06233	0.8
241.04997	2.3
241.08545	1.0
242.09207	0.6
259.06027	18.3
301.07022	9.4
301.10706	5.8
301.14435	0.7
301.21655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01865	22.7
55.05513	67.1
55.85536	4.8
57.03434	17.9
57.53081	5.5
59.05008	6.0
60.04527	100.0
65.03958	5.2
67.05507	47.2
69.03432	8.3
69.07066	16.2
71.05005	7.0
71.59412	6.5
73.69466	4.5
74.02091	4.6
74.86668	4.6
76.04000	10.3
79.05496	48.8
81.03419	21.1
81.07061	38.6
83.04996	25.4
83.08637	24.2
85.02921	36.5
87.19006	5.0
88.04002	7.9
91.05477	23.8
93.07041	40.5
95.04988	15.4
95.08591	18.5
97.06535	19.3
97.10168	39.1
105.07001	16.5
107.04958	30.3
107.08590	31.6
109.06508	6.6
111.04425	15.1
111.08105	7.3
117.07022	10.6
119.08597	12.6
121.10153	20.8
125.09653	22.8
131.08517	12.9
135.08029	7.7
135.11684	13.6
145.10156	19.5
147.08063	7.1
153.12727	6.2
163.11200	13.8
166.68785	5.1
173.09669	7.1
181.12267	5.9
188.92546	10.5
191.10672	14.7
193.12271	7.0
227.12947	6.1
291.51245	5.5
300.15375	6.1
300.18100	75.6
310.42557	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	15.8
53.03942	6.9
55.01875	9.1
55.05512	61.7
57.03435	42.3
57.63187	3.3
59.04993	9.6
67.05502	43.5
67.05831	3.8
69.03430	5.3
69.07047	7.4
71.01357	12.8
71.04989	5.4
71.59557	4.4
73.02930	3.6
74.44479	3.0
75.81484	3.8
78.93687	2.8
79.05490	35.1
81.03407	15.6
81.07054	61.4
83.04987	9.8
83.08610	38.4
91.05482	60.4
92.46727	3.1
93.07040	47.0
95.04971	18.6
95.08609	26.5
97.02898	18.2
97.06540	11.3
97.10152	4.9
99.00819	74.5
99.01454	4.4
99.04457	4.2
101.04104	3.2
103.05461	4.5
105.07033	54.5
107.04950	13.2
107.08580	30.2
109.02875	24.1
109.06519	7.9
109.10164	23.0
111.08093	15.0
113.06036	4.1
114.12418	3.9
115.03961	7.1
117.07058	7.1
119.08567	27.7
119.32957	2.7
121.06511	21.2
121.10139	3.4
123.04383	5.0
123.11684	9.7
127.03946	13.4
128.06219	4.5
131.08560	7.7
133.06494	7.1
133.10136	100.0
135.08046	6.2
135.11684	5.9
137.02338	4.3
137.05942	4.0
137.09636	4.1
139.07547	4.7
143.08546	14.7
147.08095	5.9
147.11679	3.7
148.17073	3.3
149.13287	4.5
151.11185	36.5
157.02383	3.1
161.09616	60.5
161.13275	5.3
161.23393	2.9
170.46120	3.4
171.08070	10.0
179.10651	35.6
189.09137	29.1
197.11800	10.8
207.10167	14.5
225.11203	42.6
243.12373	5.6
299.14853	60.3
299.17908	5.3
299.27332	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	299.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.5
56.96551	6.4
57.07049	2.8
67.05502	5.6
69.07038	2.2
71.59179	2.4
71.70228	2.5
79.05482	6.7
81.03424	5.1
81.07050	6.2
85.02923	2.3
91.05479	5.9
93.07024	5.4
95.04967	2.5
95.08609	5.2
105.07027	4.8
107.04947	4.9
107.08598	4.8
119.04907	2.5
119.08556	4.6
121.10172	2.4
123.11722	3.0
125.82135	2.5
133.10155	2.9
134.99635	3.1
135.04420	10.2
137.05911	2.5
146.50343	3.0
146.53430	2.3
167.08553	3.0
191.10733	4.5
209.09488	4.8
209.11490	100.0
214.08556	4.5
223.83472	2.5
238.06155	2.4
267.09113	3.3
285.07278	3.4
285.10107	5.8
299.05765	2.7
299.09122	6.7
299.14819	6.2
299.20065	5.5
300.09750	4.2
300.15842	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66862	2.9
53.49560	2.7
58.27378	2.5
65.05083	2.6
67.05500	5.5
69.07092	2.7
70.84382	6.5
70.84718	2.9
79.05495	2.9
81.07063	3.9
86.06310	2.6
91.05479	5.6
93.07031	5.5
95.04937	4.5
95.08538	3.1
105.07040	3.8
107.08585	4.0
110.42041	2.7
115.05455	6.8
119.08605	4.9
128.06227	5.2
129.06984	6.1
141.07001	6.8
141.54016	2.8
152.06198	49.3
153.06999	80.7
153.19206	2.6
154.07695	4.5
155.08553	89.4
156.08046	48.7
165.07033	8.7
168.05678	4.5
169.06516	19.8
170.07262	9.1
170.09608	4.6
171.07997	7.5
181.07626	12.7
183.08044	43.8
184.07547	34.6
184.08902	15.0
196.05850	5.7
196.07579	87.3
197.08354	65.1
197.10207	1.9
210.47517	3.2
211.08643	15.5
213.10233	100.0
214.10426	3.6
241.19920	2.9
257.09131	5.3
276.91467	3.2
299.20068	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	299.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01867	1.1
55.05502	1.6
57.03440	0.8
61.28398	0.4
65.03949	0.7
67.05502	1.9
69.03443	2.8
69.07064	0.8
70.63419	0.4
71.33036	0.5
71.59428	1.1
79.05504	2.4
81.03420	1.3
81.07060	2.2
83.04995	0.7
83.08607	0.9
85.02898	0.7
90.34450	0.4
91.05483	8.7
93.03412	1.3
93.07023	2.2
95.04953	1.6
95.08595	1.6
97.02902	0.8
98.98484	0.6
103.05473	1.0
105.03382	1.5
105.07030	4.5
105.58870	0.5
107.04958	11.8
107.08592	1.8
109.02896	0.5
109.06452	0.8
109.10147	1.3
115.05461	11.0
116.06233	0.8
117.07021	30.4
119.04946	2.7
119.08591	2.3
121.06500	2.1
121.10220	0.6
123.04409	0.9
123.08084	0.7
129.06992	0.8
131.04922	1.1
131.08586	1.3
133.06502	9.6
133.10121	2.2
134.07260	0.7
135.08051	0.7
137.05960	1.1
137.09601	0.6
143.08609	0.9
144.05653	1.0
145.06493	46.3
145.10181	0.9
146.06947	0.5
147.04442	4.3
147.08055	2.4
149.05830	0.5
149.09641	2.1
151.11218	0.5
155.06047	0.6
155.08466	0.5
157.06497	1.1
157.10068	0.5
157.19893	0.4
159.08116	1.0
161.05980	1.5
161.09645	0.9
163.03961	0.5
163.07602	1.0
172.05199	0.8
173.05994	10.6
173.13348	0.6
175.07542	5.7
175.11082	0.5
177.09140	0.6
179.07048	11.0
179.10698	0.6
181.06519	0.6
185.05885	0.5
187.11246	0.7
189.05487	2.6
190.06259	14.7
191.07007	0.7
205.08609	100.0
206.08987	1.3
211.07545	0.6
225.09126	0.6
225.11148	0.8
255.13844	1.1
267.06598	0.8
267.12177	4.9
284.10458	7.1
299.09061	0.6
299.12686	9.0
299.15088	4.3
299.20059	1.6
299.23447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.03429	0.2
61.01146	5.4
63.21980	0.2
69.03422	0.6
69.07059	0.4
70.06602	0.2
71.15383	0.4
72.08137	0.2
75.02700	2.7
81.03411	0.3
85.02882	0.2
86.09733	0.2
91.05444	0.2
94.04059	0.4
95.04980	0.2
97.02883	1.5
103.02185	0.3
108.04472	0.2
119.03550	1.1
123.04414	0.3
124.95174	0.2
136.06177	100.0
137.04565	0.6
137.05591	0.2
137.06534	0.7
145.03201	1.1
154.05008	1.1
157.07631	0.2
163.04230	1.1
239.11417	0.3
254.13680	0.2
298.09555	2.3
298.16586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03933	4.5
55.01869	9.6
55.05512	79.2
56.62844	3.0
57.07065	13.6
59.56693	3.4
67.05503	98.3
69.03417	8.0
69.07067	72.8
69.41858	26.4
69.42276	6.4
70.64565	3.3
71.04977	7.7
71.08618	12.5
71.79066	3.5
72.77991	2.7
79.05067	4.1
79.05492	50.1
81.06579	6.2
81.07053	100.0
83.04976	7.4
83.08616	45.8
83.60084	3.3
85.06527	9.7
91.05483	15.7
93.07045	50.0
95.08610	87.8
97.06536	7.5
97.10172	56.6
97.70925	3.3
99.08072	8.8
105.07014	12.7
107.08586	43.2
109.06511	3.9
109.10147	51.8
111.08083	7.9
111.11711	4.1
111.14777	3.1
113.09583	3.1
117.07018	6.8
119.08586	12.5
121.10127	17.5
123.08060	4.1
123.11679	17.8
125.09637	35.8
128.78793	3.1
131.08585	9.0
133.10170	8.8
135.08081	5.5
135.11678	38.1
137.13245	9.6
145.10095	11.4
147.11649	15.3
149.13261	8.8
151.07539	5.8
153.12762	9.8
159.11699	13.5
161.13264	10.0
163.14844	7.2
165.12849	5.5
173.11696	9.0
173.13292	12.3
175.14825	4.8
177.12772	3.2
183.13808	9.7
184.75992	3.2
187.14825	11.0
189.11223	16.1
189.16290	4.6
202.38824	3.7
220.04694	3.4
233.22685	4.1
235.10811	7.8
236.07867	13.6
241.19313	4.3
243.21173	7.4
251.10309	15.4
251.23659	5.2
261.22131	25.1
266.12582	31.9
279.23178	61.8
297.26065	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	297.2424
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03942	4.5
55.01869	7.8
55.05507	79.1
57.03437	7.2
57.07072	15.2
61.09188	3.0
67.05502	92.3
68.57564	3.6
69.07069	72.7
70.55806	6.2
70.56185	11.1
71.05003	5.6
71.08628	11.5
77.63430	3.2
79.05489	46.0
81.07054	100.0
83.04967	10.1
83.08618	39.7
85.06522	4.7
91.05482	12.7
93.07047	48.2
95.08606	67.5
97.06558	9.4
97.10164	53.0
99.08099	5.9
105.07011	15.5
107.08594	46.8
109.06491	4.4
109.10148	50.7
111.11749	3.9
117.07038	3.5
119.08575	9.5
121.10152	18.4
123.11694	17.1
125.09644	36.0
131.08534	8.6
133.10127	11.6
135.08089	7.8
135.11694	28.2
137.13271	8.2
145.10147	10.6
147.11679	10.1
149.13275	7.9
151.14836	5.5
153.12733	10.3
159.11670	8.0
161.13258	11.1
163.14833	6.3
173.11818	6.7
173.13252	8.4
174.36363	3.2
179.89076	3.2
183.13776	12.9
187.14774	5.5
189.11194	16.2
201.16319	6.9
209.15340	6.3
213.18538	3.5
218.74525	3.2
219.07605	3.8
235.10794	11.2
236.07916	12.7
243.21109	10.7
251.10277	12.9
261.22116	26.0
265.12213	4.1
266.12561	28.2
268.83878	3.3
279.23227	45.4
297.25662	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	297.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25887	0.8
60.53431	0.7
67.05485	0.8
70.25591	3.5
81.07062	1.1
85.16628	0.6
93.07074	0.9
95.08630	0.9
98.21506	0.9
119.29237	0.7
133.78918	0.8
188.71588	0.9
206.17459	0.7
235.10793	1.3
236.07780	1.1
251.10295	1.0
266.12650	3.2
297.16727	100.0
298.17120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2008
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
53.03941	2.2
55.01857	0.6
55.05503	0.4
57.07064	0.8
62.84106	0.2
65.03942	0.3
67.05508	0.6
69.07062	1.7
70.84626	0.8
76.07974	0.2
77.00503	0.2
77.03913	0.6
79.05497	0.5
81.03384	0.3
81.07055	0.6
84.96091	0.3
91.04898	0.6
91.05477	13.1
93.07040	20.3
94.07368	0.4
95.04965	5.6
96.15397	0.3
103.05464	15.6
104.05806	0.4
105.04513	1.5
114.05511	0.8
118.06535	5.1
121.06499	100.0
122.06854	1.5
124.81180	0.3
132.08075	1.9
133.08867	1.2
134.09698	0.4
146.09630	1.6
176.14345	69.4
177.14677	1.0
179.08534	0.3
193.10054	0.3
199.07008	0.7
203.08528	0.7
205.10063	0.3
207.08049	0.5
218.07347	0.4
219.08028	0.5
221.09669	0.4
231.91667	0.3
233.09496	0.4
234.10370	3.0
235.07532	2.4
236.08223	0.4
237.09155	0.3
250.09895	4.2
265.09268	0.3
265.12207	7.2
296.20071	73.0
297.17123	0.4
297.20410	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1855
Annotation	Serratanidine
Peak:m/z	Relative Intensity
51.29478	0.6
52.04461	0.6
53.03943	0.6
55.01871	1.2
55.05512	9.0
60.01900	0.5
67.05491	1.0
68.05026	4.1
69.03424	2.7
69.07067	3.4
79.05502	1.2
80.04568	1.0
80.05016	17.6
81.07047	2.1
82.07355	0.6
83.04955	0.6
83.08610	1.9
85.40979	0.6
87.03936	0.8
87.04469	16.2
91.05469	0.6
93.07052	1.0
95.08593	0.6
97.10112	0.8
98.20716	1.3
105.03466	0.6
106.06577	1.1
107.04982	0.7
107.08572	0.8
108.08108	0.9
118.06556	3.2
120.08102	2.8
124.03959	1.1
136.07574	15.0
148.07570	100.0
149.07950	2.0
154.08597	1.4
161.02361	1.5
162.02678	2.5
162.09070	2.8
166.08641	8.9
174.09171	0.7
174.12852	1.3
176.10826	0.6
178.05449	0.5
179.08504	1.0
188.10680	1.0
191.08543	0.9
192.13802	2.8
199.06982	0.7
200.10797	0.7
203.08504	0.8
207.08138	0.6
210.14919	1.7
219.08047	0.8
232.16968	1.1
234.10379	4.2
235.07504	4.2
241.08600	2.1
242.15364	4.3
250.09898	5.6
260.16464	46.9
261.16699	1.3
265.12231	12.8
278.17560	7.4
279.17981	0.6
296.06470	1.7
296.18607	66.1
297.07672	0.6
297.15015	1.6
297.18964	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1337
Annotation	2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
53.03931	2.5
55.01870	9.8
55.05521	3.2
56.05030	4.3
56.96562	5.1
57.03436	9.6
57.07065	2.9
60.04520	1.9
61.02919	8.5
64.15960	1.4
69.03428	26.8
69.07053	6.5
70.06584	6.6
70.07853	1.4
71.04987	15.7
71.57477	2.3
73.02921	8.9
81.03426	7.8
82.06571	1.8
84.04515	1.5
84.08145	23.3
84.96015	1.8
85.02905	54.5
87.04482	3.1
88.61459	1.3
91.03962	3.1
94.88227	1.5
97.02901	26.0
98.05418	2.4
98.06052	39.4
98.97591	14.4
99.04446	14.2
100.32348	1.2
103.03938	1.6
104.01251	2.3
109.02876	6.3
110.01265	2.9
110.05997	2.1
110.97611	1.9
111.02051	1.7
111.32604	1.3
112.07658	2.2
116.07091	22.5
116.98638	15.3
117.05464	4.9
119.01810	4.6
125.01759	2.6
127.03908	11.0
128.02328	2.5
128.07082	2.1
128.98611	6.6
130.08670	5.0
131.00742	1.7
131.01785	1.5
134.02313	4.6
134.08131	100.0
134.99623	7.9
136.07623	1.7
138.05495	11.9
140.00240	1.5
140.02306	2.6
140.07051	5.4
143.02852	4.1
145.04988	5.8
146.99654	8.2
149.01273	1.8
149.18584	1.5
151.89874	1.5
152.02350	2.4
153.03008	1.7
155.02814	3.8
158.08109	3.7
158.99669	7.6
161.01317	3.5
161.02858	6.4
165.00781	2.1
167.02788	2.8
170.03339	8.4
170.99669	3.8
175.51378	1.6
176.03416	2.6
176.09149	3.4
177.00732	17.9
179.08600	1.5
182.99615	1.5
185.03943	2.1
188.03346	2.1
189.00694	9.5
191.03844	2.4
191.08543	2.5
195.01805	2.2
197.03896	7.6
199.06929	3.5
200.02357	2.9
201.00677	2.7
203.08597	3.2
205.00266	1.6
206.04413	23.6
206.54607	2.6
207.01866	2.9
207.08067	2.3
215.04921	17.7
215.55151	3.6
218.07306	1.8
219.01729	11.5
219.07977	3.9
221.05971	2.7
222.81094	1.8
224.09149	2.6
226.55830	1.9
231.01714	3.3
233.09570	2.8
234.10408	12.1
235.07529	12.7
236.08299	2.8
237.02858	2.6
249.02786	5.5
250.09935	18.6
260.11230	6.3
261.02798	1.7
265.12228	40.2
278.12354	13.4
296.13348	15.3
296.16385	6.7
309.04889	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	296.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.6
56.96558	8.0
57.03429	1.8
57.07069	5.0
58.65857	1.8
62.00367	3.9
62.00674	64.7
63.14416	1.9
67.05504	4.0
68.80379	2.0
69.03424	4.5
69.07074	10.8
69.28820	2.4
69.29147	22.2
77.11774	1.9
79.05464	2.1
81.07041	6.8
81.32199	2.4
85.02910	3.7
87.98582	2.4
91.05460	6.0
93.07041	5.6
95.04942	2.4
95.08591	3.8
97.02859	2.3
98.20659	3.4
98.97583	6.5
103.05456	7.1
104.05077	1.9
104.05798	5.1
105.01212	35.9
105.07022	3.3
105.99613	2.2
106.07362	3.6
107.08578	3.1
108.08949	2.1
109.10181	2.0
116.98608	4.1
119.22501	1.8
121.06531	3.8
122.03645	2.7
122.05976	2.5
123.02245	12.5
131.04898	7.5
132.05247	6.7
133.06459	14.0
133.10138	2.8
134.06824	9.8
134.99658	4.9
135.08018	5.8
136.08418	3.9
137.05983	25.9
138.06300	4.5
145.06490	2.1
146.99669	2.4
151.07539	2.5
163.07544	14.3
164.07930	18.0
167.07069	3.4
172.05695	46.6
174.05260	100.0
189.06317	9.7
191.08456	6.5
192.06319	2.6
197.10063	3.0
199.07016	6.0
203.08412	2.6
206.10645	3.2
207.08029	4.5
215.04227	5.0
215.11172	4.9
218.07239	3.3
219.08070	6.9
221.05994	4.1
221.09567	6.5
232.06898	4.4
233.09752	3.7
234.10385	23.4
235.07576	28.4
236.08340	4.3
249.98997	2.2
250.09900	30.5
265.12228	72.3
286.63339	2.3
296.09763	2.3
296.13544	4.9
296.16434	9.9
311.08145	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	296.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.6
51.02382	0.5
53.03935	0.2
55.01859	0.7
57.07069	0.4
63.02351	0.2
65.03944	0.5
66.04730	0.3
67.05482	0.2
68.55931	0.1
69.07066	0.4
71.20457	0.4
75.02358	2.5
76.54495	0.1
77.03941	0.3
78.04690	0.2
79.01843	0.2
79.05493	0.2
81.03418	0.1
81.07050	0.4
83.04961	0.1
87.00032	1.7
89.03914	8.0
90.04712	1.1
91.04223	0.2
91.05466	1.1
92.05000	0.2
93.03399	0.3
94.04189	0.2
95.04971	0.9
95.08601	0.2
97.06528	0.3
99.00023	0.7
102.04692	0.5
104.04995	1.2
105.03365	0.3
105.04523	0.2
105.05759	0.3
106.06553	0.1
110.99966	1.2
111.04430	0.6
114.03398	0.5
114.99488	0.2
115.04194	0.5
116.04977	19.9
117.05760	28.5
118.06631	1.0
123.99518	0.7
125.01530	0.2
126.01077	1.0
128.04961	16.6
129.01028	5.1
129.04492	0.5
129.05731	3.8
130.04004	0.2
130.06610	0.2
131.03709	0.2
131.06041	1.5
132.04446	5.6
133.05217	0.2
134.06018	3.1
137.00233	0.6
138.01050	8.0
138.99469	0.3
139.00558	4.7
139.98988	0.4
141.04451	1.1
142.05261	2.3
143.06049	2.6
144.04448	8.9
145.05170	0.5
146.06001	52.5
147.06351	0.9
151.00568	2.2
153.02135	0.5
154.00574	0.1
156.02158	0.1
156.04466	1.3
157.03937	0.2
157.07567	0.2
158.04774	0.3
159.05554	0.9
161.04720	3.5
163.83713	0.1
167.00084	0.7
168.00792	0.1
169.07610	0.2
174.05501	7.9
175.05949	0.2
176.06245	0.2
178.07878	0.2
179.00075	3.9
180.00543	0.1
180.36304	0.1
181.82558	0.1
185.05869	0.9
187.05093	0.1
190.06462	1.4
191.07207	0.8
192.06731	0.3
192.08211	0.1
193.05226	0.2
199.07112	0.1
203.07280	0.2
204.08073	10.5
205.08972	3.4
206.08328	0.8
215.06023	0.5
216.06699	1.6
217.07614	1.5
218.08388	29.5
219.09175	10.6
219.10976	0.1
220.09384	0.4
221.09608	0.1
224.02716	0.3
226.04179	0.3
227.04945	0.4
231.07973	0.2
232.08661	4.2
233.09612	7.5
234.07863	3.0
234.10291	1.1
235.07544	1.0
237.03416	0.3
238.04126	0.5
240.05818	1.5
242.07141	0.9
243.07910	23.9
244.08347	0.8
249.09203	0.2
250.04295	0.2
250.09866	1.5
251.05138	2.2
252.04428	1.2
253.05266	42.9
254.05878	2.3
260.08160	1.5
261.08966	28.6
262.09320	1.1
264.20490	0.2
265.12219	2.7
266.04846	2.4
267.05579	6.3
268.06372	4.7
269.04596	0.3
278.04776	0.9
295.04871	0.2
296.05835	100.0
297.06195	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	295.2268
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03939	11.3
55.05510	24.0
56.31271	9.0
57.03431	10.8
57.07070	11.5
59.52662	7.6
67.05504	72.5
69.03438	10.6
69.07066	37.8
71.05058	15.7
71.08633	27.5
77.94282	8.2
79.05493	30.2
79.37617	10.3
81.03417	33.5
81.07059	55.4
83.05000	22.7
83.08668	9.9
91.05482	24.5
93.07038	62.5
94.74526	7.7
95.04957	26.1
95.08590	47.2
97.06541	11.8
97.10163	11.1
97.60999	7.8
99.08086	21.3
105.07014	23.4
107.08609	17.1
109.10168	30.7
119.08557	13.1
121.10104	10.8
133.10207	11.0
135.11696	14.8
137.09631	19.4
151.11185	36.7
233.09816	10.2
234.10390	23.4
235.07544	24.5
250.09926	33.0
252.07744	9.5
265.12231	50.9
277.21631	100.0
295.22665	88.3
295.28198	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	295.2267
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03941	10.3
55.01868	24.5
55.05264	3.1
55.05511	40.5
57.03415	3.7
57.07062	9.8
64.96538	2.3
65.03908	2.8
67.05504	80.5
67.07395	2.2
69.03414	9.3
69.06724	4.1
69.07068	49.6
71.04981	8.4
71.08634	20.7
73.04756	2.4
79.05496	45.9
81.03421	21.0
81.07052	60.0
83.04987	21.6
83.08605	12.7
91.05479	34.0
93.07039	62.0
95.04968	22.3
95.08604	73.3
97.06550	12.4
97.10159	12.9
99.08086	11.1
105.07033	19.1
107.08595	22.7
109.06514	6.5
109.10157	38.3
111.08060	5.7
111.11716	2.8
117.07001	4.1
119.08582	24.5
121.10134	28.3
123.08068	21.7
123.11710	5.7
125.09649	7.1
129.06984	3.0
131.06398	2.4
131.08554	6.2
133.10135	8.5
135.11688	14.5
137.09618	45.8
137.13254	3.6
139.11179	22.8
147.11693	9.8
149.13246	8.1
151.11192	20.9
153.12740	3.7
155.10651	3.2
159.11685	3.9
161.13263	5.6
163.11243	6.9
165.09186	4.0
165.12746	5.1
167.14363	6.3
167.98750	2.3
175.11244	2.8
175.14758	2.6
179.14282	8.2
181.12222	7.1
185.13242	3.1
189.11259	6.3
207.13821	2.6
221.15442	3.8
231.21017	4.0
233.09587	3.4
234.10429	6.9
235.07593	3.7
241.19691	3.1
244.03438	2.8
249.22130	15.6
250.09952	10.9
259.20566	8.1
265.12216	21.5
277.21616	95.1
295.22672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.59209	4.7
55.01875	40.1
55.05512	43.4
57.03435	5.6
57.07056	5.8
67.05506	85.1
69.03421	9.8
69.07069	57.1
70.72376	14.5
71.04987	8.4
71.08628	9.3
71.41026	5.7
79.05486	51.2
81.03407	22.3
81.07058	76.3
83.04974	22.5
83.08605	15.2
85.06573	5.7
86.03976	5.1
91.05467	34.0
93.07043	66.4
95.04980	17.2
95.08610	100.0
97.06535	14.0
97.10165	25.0
99.08121	5.7
105.07025	14.1
107.08632	28.7
109.06539	7.2
109.10169	38.2
117.06934	5.5
117.12070	4.8
119.08589	26.4
121.10116	30.4
121.54793	4.7
123.08078	46.8
123.45084	5.9
125.09668	12.5
128.76273	4.8
133.10126	13.4
135.11714	15.6
137.09621	33.4
139.11145	24.6
140.32553	5.0
147.11714	12.6
149.13219	8.0
151.07510	5.7
151.11127	13.7
153.12756	5.6
161.13263	6.7
165.12775	10.4
167.14180	6.2
168.91020	4.5
181.12204	9.2
231.21049	7.8
242.85016	5.0
249.22157	19.8
259.20499	5.8
277.21643	74.9
295.22678	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03941	14.3
55.01860	11.5
55.05513	54.3
57.07069	18.1
65.03947	4.2
67.05503	87.9
69.03430	6.2
69.07076	36.4
70.71946	5.3
70.72283	8.9
71.04993	5.7
71.08634	36.1
79.05492	59.7
81.03420	40.0
81.07063	72.7
83.04980	21.2
83.08623	24.9
85.10180	14.1
91.05487	36.7
93.07047	56.3
95.04966	38.2
95.08605	40.4
97.06538	11.3
97.10175	11.3
99.08082	25.5
105.03438	5.1
105.07032	27.4
107.04969	6.9
107.08576	36.5
109.06493	6.7
109.10149	32.8
111.08096	5.7
113.09609	14.8
117.06990	9.2
119.08586	19.0
121.10141	17.2
123.00832	4.7
123.08074	4.7
125.09630	21.2
129.06903	5.4
131.08600	5.3
133.10129	21.2
135.11700	23.2
137.97136	4.9
143.08577	4.8
145.10123	8.6
147.11674	14.6
149.13248	11.4
151.11168	44.1
161.13293	14.9
163.11171	7.7
165.12782	30.7
171.11711	6.3
179.14252	9.7
185.13202	6.0
189.11220	6.9
221.15517	4.9
241.19511	6.4
249.22145	5.8
253.26117	4.8
259.20529	9.7
277.21637	100.0
295.22690	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	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03941	5.2
53.29807	1.4
55.01857	5.5
55.05511	21.0
57.03430	3.6
57.07069	3.8
67.05505	50.6
67.42814	1.5
69.03419	3.5
69.07069	22.0
69.91325	7.9
71.04981	4.4
71.08632	24.4
73.72347	1.3
79.05497	24.1
81.03414	20.2
81.07056	32.3
83.04980	12.2
83.08617	7.3
85.06532	3.8
85.55517	1.3
91.05482	14.0
93.07041	28.1
95.04967	21.0
95.08611	24.5
97.06535	9.3
97.10158	7.2
98.21492	2.6
99.08102	17.1
105.07028	10.2
107.08586	13.6
109.06512	3.8
109.10157	15.1
117.07001	1.9
119.08576	7.5
121.10122	11.5
123.08096	3.0
123.11707	2.8
127.11206	1.7
131.08586	1.8
133.10088	5.7
135.11665	3.9
137.09628	12.6
139.11151	6.6
145.10123	3.9
147.11662	3.6
149.09523	1.4
149.13271	3.8
151.11201	22.9
153.12724	1.8
161.13246	4.8
163.11263	2.3
163.14810	1.8
165.12776	3.3
175.14806	2.2
179.14311	4.8
201.49158	1.6
203.12714	2.8
221.15387	6.2
231.21190	1.6
241.19720	1.9
249.22285	2.0
259.20581	2.3
277.21640	76.1
295.22684	100.0
296.22992	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	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03944	27.7
54.30078	3.9
55.01875	13.1
55.05512	40.9
57.03441	3.6
57.07077	17.6
67.05505	95.3
69.07071	67.5
69.33510	36.2
69.35088	3.4
71.08629	10.0
79.05492	60.7
81.03421	93.9
81.07056	76.6
83.04990	25.6
83.08622	15.7
91.05477	35.7
93.07041	57.2
95.04977	53.6
95.08614	36.5
97.06532	6.1
97.10179	12.7
99.08083	7.3
103.05494	3.8
105.07034	41.3
107.08607	37.2
109.06533	13.4
109.10163	27.9
111.08098	8.4
119.08609	19.0
119.09402	3.7
121.10133	23.4
121.68116	3.4
123.08115	7.2
123.11710	12.9
125.09655	14.8
129.06978	6.8
131.08560	7.0
133.06496	14.7
133.10162	28.4
134.07285	6.2
135.08051	25.9
135.11722	11.8
147.11662	18.0
149.09744	3.9
149.13266	10.0
151.07549	5.4
151.11192	72.4
157.10300	4.0
161.13220	18.5
163.14848	7.7
165.03706	7.4
165.12769	19.5
171.11703	5.2
175.14827	8.4
179.14326	12.4
182.43623	3.4
189.12773	5.6
193.12282	5.1
205.70625	3.7
207.13770	5.4
231.21089	17.0
235.07542	8.2
241.19485	6.2
249.22105	10.1
250.10014	10.2
259.20581	11.6
265.12231	18.8
275.44418	3.6
277.12988	3.6
277.21640	100.0
295.13254	3.5
295.22702	25.2
296.16330	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.56231	5.2
55.01875	7.2
55.05508	28.8
56.79107	6.6
67.05503	61.4
69.07065	19.3
69.34020	28.1
69.34453	24.9
71.08628	45.2
72.76373	5.7
73.55221	5.0
74.30535	5.8
74.82208	5.0
74.84405	5.7
79.05492	60.0
81.03407	13.3
81.07059	64.8
83.04964	12.2
83.08626	24.4
91.05469	27.7
93.07035	62.6
95.04955	16.1
95.08606	45.4
97.06512	12.9
97.10163	16.7
98.21539	12.2
99.08098	28.3
105.07027	18.8
105.76795	5.6
107.04981	8.7
107.08598	44.7
109.06535	5.8
109.10155	32.0
111.08089	5.8
119.08572	13.7
121.10149	41.5
125.09636	9.4
129.06953	6.4
133.10159	16.8
135.11670	52.1
147.11720	6.9
149.13277	11.1
149.47578	5.4
150.60553	5.6
151.11194	19.0
161.13243	10.3
163.11223	5.7
179.14302	100.0
179.15823	8.2
250.09883	6.4
265.12280	13.9
277.21613	41.6
281.72635	6.1
295.22394	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	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03940	8.9
55.01880	28.2
55.05513	53.4
57.03433	8.4
57.07068	14.6
65.03928	4.9
67.05505	100.0
69.03412	5.2
69.07065	51.2
70.72366	10.9
71.04974	5.6
71.08635	10.8
72.25452	4.0
79.05494	56.2
80.22770	5.1
81.03423	7.8
81.06580	6.1
81.07058	90.5
83.04971	30.1
83.08618	23.9
85.06532	10.0
85.10189	6.7
91.05489	37.0
93.07052	69.1
95.04987	29.7
95.08620	58.0
97.06528	16.8
97.10166	18.9
99.08096	6.7
100.79492	3.7
105.07024	21.6
107.08601	41.7
109.06524	9.7
109.10149	26.1
111.08086	17.6
111.11713	4.0
113.09641	4.3
117.07011	8.5
119.08575	24.6
119.18275	3.5
121.10155	26.9
122.46931	4.2
123.08094	6.3
123.11722	10.8
125.09625	7.8
131.08568	9.9
133.06499	5.3
133.10144	19.8
135.11685	16.9
137.09631	10.7
139.11169	17.8
143.08566	4.3
145.10095	7.0
147.11649	22.0
149.09648	5.3
149.13248	12.4
151.11185	15.3
153.12692	6.7
157.10110	5.9
161.13234	12.6
165.12766	10.3
171.11647	5.4
175.14798	8.8
179.14267	9.1
189.11232	7.0
220.48595	4.3
221.15329	6.6
231.21135	6.5
241.19521	7.8
249.22145	6.1
250.09805	4.8
259.20609	9.3
265.12274	12.3
277.21628	83.2
295.22653	79.5
296.22186	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	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03941	9.4
55.01856	14.3
55.05512	57.1
57.03421	9.7
57.07071	13.0
58.43559	4.2
65.03931	4.5
66.37185	4.2
67.05505	100.0
69.03419	5.6
69.07071	51.2
70.49639	13.8
71.04988	10.4
71.08630	16.5
79.05502	60.9
81.03416	13.3
81.07064	84.5
83.04979	19.9
83.08607	27.9
85.06538	5.8
91.05479	49.2
93.07047	64.1
95.04967	28.4
95.08607	69.3
97.06528	15.1
97.10175	19.8
98.21430	5.4
99.08096	19.1
105.07037	35.9
107.08594	30.2
109.06533	13.6
109.10180	30.9
111.08087	11.6
111.90140	4.5
117.07028	7.2
119.08582	23.7
121.10143	23.0
123.08086	17.7
123.11692	5.3
124.39867	4.1
125.09626	9.3
131.08580	8.7
133.06490	33.4
133.10156	20.8
135.11674	14.1
137.09674	9.3
139.11174	14.3
145.10107	5.2
147.11691	13.3
149.05983	20.5
149.13240	15.1
151.11200	12.9
159.11673	6.7
161.13252	8.0
165.12766	9.1
175.11143	4.9
175.14789	7.0
177.12709	4.3
179.14212	10.5
189.11188	10.8
221.15424	9.1
228.17276	4.1
231.21083	6.0
241.19478	5.5
249.22136	6.0
252.13820	16.7
259.20544	5.4
277.21606	72.1
295.14423	66.4
295.22583	54.2
296.14746	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03935	8.1
55.01629	2.7
55.01878	43.4
55.05264	3.6
55.05511	54.1
55.26629	3.2
55.72162	2.9
56.95864	3.3
56.96548	3.7
57.03419	9.6
57.07076	21.2
65.03934	4.5
67.05504	100.0
68.00458	2.7
69.03417	7.7
69.07067	76.8
69.90264	11.8
70.06568	2.6
71.04987	6.3
71.08635	22.1
72.08132	4.1
79.05059	5.0
79.05489	61.5
81.03421	30.3
81.06577	5.6
81.07054	89.5
82.07353	2.9
83.04979	23.9
83.08616	26.0
85.06525	6.7
85.10165	6.9
90.59990	2.6
91.05477	50.7
93.07040	71.4
95.04976	35.9
95.08600	74.6
97.06522	21.4
97.10165	24.0
98.20802	3.7
99.08105	19.3
103.05448	8.9
105.07034	83.7
106.07803	5.1
107.04926	7.0
107.08579	40.0
109.06506	12.0
109.10155	45.0
111.04437	3.4
111.08078	27.9
113.09615	6.7
115.07576	3.6
117.06982	7.5
119.08583	23.9
121.06492	4.2
121.10156	27.2
123.08061	24.0
123.11687	10.3
125.09586	11.9
129.06995	3.7
131.08566	10.3
133.06474	22.2
133.10167	23.4
134.07266	16.8
135.08058	59.9
135.11697	21.2
137.04176	3.0
137.09622	16.7
137.13287	3.5
139.11177	12.1
143.08667	4.8
145.10103	5.4
147.11670	23.1
149.09596	5.4
149.13237	12.7
151.07504	13.5
151.11162	26.5
153.12759	5.4
157.10168	4.9
159.11691	4.0
161.02388	3.6
161.13251	12.5
163.11171	7.3
163.14825	5.1
165.03706	23.3
165.12711	15.6
167.05276	6.1
171.11641	4.5
175.11140	4.5
175.14758	6.6
179.05278	6.0
179.14345	8.2
181.12239	5.5
185.13268	4.8
189.11179	4.5
193.15672	2.8
195.13826	5.0
199.06934	5.5
207.07953	3.1
219.08128	4.2
221.15399	4.7
222.93729	3.0
231.21031	3.7
234.10313	7.1
235.07466	14.1
241.19490	5.3
249.22134	11.3
250.09828	12.9
259.20526	10.6
265.12262	35.3
277.16208	8.3
277.21597	77.4
278.21796	3.0
295.06082	4.9
295.09854	9.7
295.17361	5.8
295.22696	60.2
296.16235	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	295.1327
Annotation	3-Isopentadienyl-3',4,5'-trihydroxystilbene
Peak:m/z	Relative Intensity
53.03950	0.6
54.76330	0.5
55.01888	2.0
55.05518	3.5
56.96568	0.7
57.03455	0.5
57.07076	0.8
65.03948	0.6
67.05499	5.2
68.19474	0.4
68.99812	0.6
69.07069	5.2
70.13651	2.3
71.08627	2.3
79.05470	3.2
81.03403	1.0
81.07058	4.8
83.05017	1.5
83.08643	1.6
85.06561	0.6
91.05479	2.8
92.58728	0.5
93.07036	3.5
95.05003	2.1
95.08604	3.7
97.06554	1.1
97.10202	1.4
98.21425	0.6
99.08125	1.4
105.03401	1.2
105.07056	2.1
107.08615	2.1
109.10178	0.9
111.08117	1.0
115.05509	0.5
119.08599	1.5
121.10176	1.9
123.08089	0.6
123.11675	0.6
125.09650	0.9
128.06274	0.8
129.07043	1.0
131.08621	1.0
133.06509	0.8
133.10153	1.2
135.04427	0.7
135.11737	1.0
137.06036	2.8
137.09666	1.3
139.11211	0.8
141.07031	1.5
143.08571	0.8
147.04440	2.1
147.08105	0.6
147.11684	1.4
151.11192	1.6
152.06252	0.9
153.07027	1.8
155.08591	1.1
161.02379	4.1
161.05908	0.5
165.06996	5.3
165.12854	0.8
168.05666	0.7
169.06505	1.7
171.04378	3.6
173.06024	1.2
175.14819	0.6
178.13107	0.6
181.06512	1.3
182.07256	0.7
183.08089	2.1
187.03822	0.6
189.11258	0.8
197.05980	10.2
198.06700	2.6
199.07339	0.8
201.05518	1.4
210.06758	2.1
211.07538	53.4
212.08012	1.5
223.07474	3.3
224.08195	1.0
225.05479	9.5
225.09009	1.1
226.06235	30.0
227.06981	6.8
228.07190	0.5
231.17743	0.6
234.10468	1.0
235.07573	1.8
237.09026	0.6
239.07024	100.0
240.07465	3.6
249.08934	0.6
249.22137	0.5
250.09846	1.0
253.08562	1.7
265.12146	2.5
267.13773	5.1
277.21664	5.7
294.54675	0.6
295.06125	1.7
295.09735	4.9
295.13248	57.1
295.22568	6.2
296.13596	1.8
300.57440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.27971	4.3
52.36341	4.5
52.54318	4.8
55.05497	13.3
56.75019	4.2
56.96552	6.6
57.03441	25.5
57.07074	5.9
67.05493	18.7
67.29586	4.9
69.03432	100.0
69.07072	28.7
69.82568	15.6
69.82978	13.3
70.17606	4.1
73.02910	7.3
75.04461	5.3
78.13349	4.1
79.05487	7.9
79.12684	5.0
81.03416	18.1
81.07056	25.6
81.15434	4.5
83.04986	7.6
83.13300	4.0
85.02911	47.1
87.04460	33.2
91.05488	14.8
93.07046	13.8
95.04973	6.9
95.08608	19.9
96.08952	6.4
97.02894	36.4
97.10161	4.2
99.04453	18.7
103.03950	6.7
105.07014	7.7
107.08570	12.6
109.02879	5.6
109.10162	16.0
115.03922	32.4
116.98603	6.4
119.08618	5.7
121.10133	5.7
127.03905	10.8
131.04912	8.7
133.04985	27.6
133.06516	8.4
134.99695	4.9
137.06013	4.7
145.04942	19.0
151.03929	7.6
163.07561	5.9
177.05467	6.0
205.04985	5.6
235.07660	5.6
252.07878	5.5
265.12216	7.0
277.09189	11.5
277.21417	7.5
295.06253	10.1
295.09579	8.2
295.15619	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	295.06
Annotation	Euplectin
Peak:m/z	Relative Intensity
51.02371	0.6
53.03928	0.2
55.01860	0.5
55.05512	0.4
56.96539	0.3
57.07083	0.3
65.03929	0.9
65.15413	0.2
67.05496	0.5
69.03400	0.2
69.07067	1.1
70.90642	0.6
77.03934	1.7
79.05474	0.4
81.07043	1.1
83.08614	0.3
91.05492	0.3
93.07050	0.4
95.04949	0.7
95.08608	0.6
101.37234	0.2
105.03390	27.6
105.07028	0.5
106.03716	0.3
107.08611	0.4
109.06458	0.3
109.10159	0.3
119.08537	0.4
120.02073	0.9
121.06512	0.3
121.10146	0.4
133.02853	13.4
134.03117	0.3
135.04414	2.2
138.92065	0.2
141.06972	0.7
149.02344	0.6
151.03900	4.8
161.02339	100.0
162.02730	2.0
165.06999	0.7
169.06494	0.3
179.03397	10.9
183.08031	0.3
197.05827	0.4
211.07489	0.2
221.05988	1.1
225.05449	2.8
239.07021	1.4
249.05501	0.6
253.04979	0.4
265.12067	0.3
271.40588	0.2
277.05307	0.3
295.06021	36.1
296.06357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01868	15.1
55.05513	28.8
56.05835	9.9
56.96557	9.3
57.03421	6.1
57.07065	18.7
58.07407	3.9
67.05175	4.0
67.05501	53.5
68.05835	15.5
69.03417	7.0
69.06728	2.7
69.07067	37.5
70.07377	7.9
70.84378	3.4
70.84732	6.8
71.04974	11.2
71.08630	34.9
72.05303	3.0
72.08954	12.3
79.05490	22.9
80.05817	11.7
81.03414	36.8
81.07057	32.8
82.03740	15.1
82.07372	13.0
83.04963	6.3
83.08610	11.4
84.08939	5.2
85.02908	6.1
85.06521	8.3
86.06876	2.9
91.05479	27.3
92.05813	13.5
93.07040	35.7
94.07352	19.0
95.04962	37.0
95.07986	3.5
95.08601	60.7
96.05298	15.4
96.08943	36.1
97.06522	7.4
97.10159	9.2
97.76120	2.7
98.06833	4.1
98.97556	4.6
99.08080	22.8
100.08406	9.3
105.06991	13.1
106.07386	5.4
107.04948	5.7
107.08603	16.1
108.08913	8.2
109.06513	6.9
109.10152	22.3
110.06851	5.3
110.10474	14.4
111.04439	5.1
111.67422	2.2
113.05988	3.7
115.07546	5.8
116.98598	6.0
117.07024	7.8
117.35710	2.5
118.07382	6.4
119.08574	15.5
120.08904	15.6
121.06494	5.4
121.10125	5.8
122.10469	6.0
123.08079	7.9
124.08380	5.0
126.09959	7.0
131.00215	2.9
131.08563	4.6
132.08873	9.7
133.10091	5.9
134.10471	10.6
135.08047	3.6
135.11708	4.5
136.08403	4.8
136.12062	3.5
137.09616	13.8
138.09935	10.9
139.11182	5.0
140.11479	4.7
141.00960	5.5
141.09061	6.4
142.09407	4.5
145.10089	3.3
146.10443	4.8
147.04390	3.1
147.11687	3.4
148.12035	5.4
149.01183	13.0
149.09653	3.7
151.11180	78.8
152.11507	91.3
155.10686	18.8
156.11008	18.8
159.11703	4.8
160.12036	5.9
161.09598	6.2
162.09906	7.7
165.12672	7.2
166.13091	11.0
167.02348	6.6
172.07498	2.9
174.05522	7.3
177.12749	11.2
178.13094	22.2
180.10947	4.3
189.11212	2.7
191.14288	4.6
192.14648	4.5
197.05766	3.3
197.07330	21.0
198.07500	2.5
215.96831	2.5
230.19714	4.2
237.08858	6.4
244.09651	4.9
248.20851	7.1
252.20462	3.1
258.19312	10.9
276.20416	35.6
285.13638	7.3
294.21432	100.0
295.22195	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	294.2063
Annotation	Pramoxine
Peak:m/z	Relative Intensity
53.48026	0.3
55.05513	1.9
56.96555	0.5
57.03401	0.4
57.07075	1.9
60.31704	0.3
64.60242	0.3
64.60595	0.3
67.05508	2.3
67.94282	0.3
69.03425	0.8
69.07072	4.4
69.07420	0.6
69.74895	0.9
69.75330	1.0
70.06594	3.4
71.04981	1.0
72.08160	6.7
79.05477	1.4
80.29120	0.3
81.07073	2.5
85.02924	0.3
85.78309	0.3
87.04469	27.8
93.07028	1.1
94.06571	0.7
95.04957	0.4
95.08615	3.2
96.08920	0.4
99.04436	0.3
100.59788	0.3
105.07027	0.7
106.06561	2.9
107.07314	0.7
107.08581	1.4
109.06552	0.5
109.10165	1.0
110.10561	0.4
114.05539	0.5
115.07561	0.8
116.06335	0.6
116.07090	4.1
118.06540	8.6
129.01024	0.6
132.08073	1.4
133.08879	0.6
134.09645	3.1
136.11237	0.6
138.13583	0.5
138.58408	0.3
141.01035	0.7
146.09647	1.9
147.04417	0.9
147.10432	0.5
148.11189	1.1
148.71443	0.3
149.13387	0.5
150.09137	4.5
151.14810	0.5
155.02637	0.4
161.13234	0.6
176.14349	52.0
177.14705	1.0
178.15897	2.4
179.11781	0.3
196.13316	1.5
197.07291	3.1
208.16971	17.8
209.17252	0.6
234.14825	0.5
236.12834	4.2
262.18011	4.3
294.20639	100.0
295.20883	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	294.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03941	1.7
55.05509	6.3
56.05840	0.4
56.96563	0.4
57.07076	2.4
58.20499	0.4
60.08169	3.1
61.04044	0.6
67.05496	4.1
69.03431	0.5
69.07068	10.0
70.06592	3.5
70.07377	0.6
71.04977	0.4
71.59110	0.7
72.08157	9.5
73.06171	0.6
73.06557	8.7
77.03917	0.5
79.05490	4.1
81.03413	1.3
81.07050	4.7
82.07374	1.2
83.08646	0.8
85.02953	0.4
86.06069	5.5
87.04473	2.9
88.12093	0.4
90.09199	6.3
91.05480	1.1
91.58086	0.4
92.04980	0.9
93.07034	2.5
94.06567	100.0
95.04974	3.2
95.06901	1.2
95.08611	6.7
96.08948	1.3
97.06526	0.6
97.10191	0.6
98.06039	0.5
103.08706	1.2
105.04507	0.5
105.07031	1.7
106.06564	0.4
107.08592	4.5
109.10159	2.2
110.10496	0.6
115.07555	2.0
116.07090	28.7
116.98598	0.5
118.06544	1.0
119.08589	1.5
120.04505	2.3
121.10154	1.0
123.08039	0.8
123.11696	0.9
124.12040	0.6
125.17767	0.4
126.09161	0.8
129.01044	1.1
133.10170	0.7
135.11674	0.8
137.07127	1.7
137.09608	0.5
137.13336	0.5
138.13576	0.8
139.39706	0.6
141.01048	1.4
149.13254	2.4
150.09109	1.1
150.12790	0.7
151.14830	1.1
155.02711	0.6
161.13258	1.8
175.14491	1.6
176.14336	4.9
178.04993	0.4
179.11794	35.6
179.14363	1.0
180.12149	1.0
196.13333	6.1
197.07301	4.6
208.16991	2.1
222.12334	6.7
222.14233	0.4
262.18265	0.6
276.20474	0.5
294.10223	1.0
294.17438	1.8
294.20642	11.8
294.24152	0.5
295.06509	0.5
295.09598	0.6
310.09787	0.4
313.40915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01860	0.9
55.05264	1.1
55.05510	15.5
56.96578	0.8
57.03413	2.2
57.07072	9.5
59.05006	1.0
65.03931	0.9
66.14193	0.8
67.05502	30.0
68.75573	0.7
69.03416	2.2
69.07066	25.5
69.36278	2.3
69.36700	5.9
69.62230	0.7
70.06580	1.9
71.04977	1.3
71.08613	2.2
71.65378	0.8
72.08134	1.1
79.05492	12.7
81.03400	1.1
81.07054	100.0
82.07420	0.9
83.04994	1.1
83.08607	5.5
85.06532	1.2
87.04455	4.3
91.05469	4.2
93.07039	13.2
95.04948	2.3
95.08602	82.9
97.02893	0.8
97.06512	3.3
97.10148	7.2
98.40095	0.8
98.97570	0.8
99.04430	1.0
99.08078	1.1
103.05423	1.2
105.07026	5.5
106.06523	0.9
107.04956	1.4
107.08589	12.5
109.06497	1.8
109.10153	34.1
111.08070	1.6
111.11701	2.4
113.05988	0.8
113.09599	1.4
115.07563	1.0
116.07097	1.8
116.43290	0.8
118.06496	1.1
118.76324	0.8
119.04948	0.8
119.08554	4.0
121.10130	8.5
123.04398	0.8
123.08035	2.0
123.11697	24.5
125.09650	2.0
125.13264	0.9
131.04906	1.6
131.08588	1.8
133.10124	4.5
134.09689	0.9
135.08051	1.3
135.11707	6.1
137.09589	2.1
137.13252	57.9
139.11145	2.7
141.00964	1.4
145.06427	1.2
145.10098	1.9
147.04416	1.1
147.11687	2.5
149.02316	1.0
149.09633	1.4
149.13232	4.7
150.09146	0.8
151.07515	1.2
151.11157	3.2
151.14838	2.5
153.12766	0.8
158.31540	0.8
159.11659	2.6
161.13251	2.3
163.11148	1.8
163.14818	2.1
169.12170	0.9
171.11694	0.9
173.13271	1.2
176.14308	8.8
177.12677	1.6
177.16342	1.5
179.14291	1.4
181.12303	1.0
182.45758	0.8
187.14827	1.2
191.14236	1.0
196.13316	3.5
197.07298	3.8
201.16379	1.3
208.16946	2.9
219.17291	1.1
219.97176	0.9
223.16891	2.3
236.12959	0.9
237.18509	3.1
239.18486	1.0
248.14867	0.8
257.22534	1.0
275.20065	1.9
275.23660	3.5
293.08197	1.5
293.11691	3.8
293.21201	2.4
293.24689	16.6
294.20605	17.9
307.76685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01873	4.2
55.05508	17.0
55.84301	1.3
57.03434	2.5
57.07069	5.1
65.03929	2.5
67.05504	91.7
69.03429	2.8
69.07066	28.0
69.28276	1.4
69.28622	16.7
70.07410	1.7
71.05003	2.3
71.08654	2.3
79.05491	31.4
81.03414	6.2
81.07056	100.0
82.07426	1.6
83.04977	13.6
83.08614	9.9
85.06546	4.0
87.79208	1.4
91.05471	16.5
93.07041	30.0
95.04966	25.9
95.08604	69.5
96.08945	2.2
97.06535	4.8
97.10184	6.6
98.20718	2.8
99.08086	2.6
105.07045	16.3
107.04968	6.3
107.08594	15.0
108.24677	1.3
109.06522	15.2
109.10158	32.9
111.08118	2.6
117.07016	6.0
119.08578	13.7
121.06525	1.4
121.10149	16.7
123.04478	2.9
123.08073	9.0
123.11696	13.1
125.09679	2.0
131.04924	3.8
131.08554	9.6
133.10117	9.5
135.08095	7.4
135.11707	8.8
137.09624	7.6
137.13275	7.1
139.11226	2.5
145.10136	6.1
147.11717	7.1
149.09666	5.3
149.13216	8.1
151.07553	6.5
151.11198	12.9
151.14804	1.8
159.11688	6.6
161.13263	2.6
163.11186	3.3
163.14827	2.3
165.12798	2.3
173.13286	5.9
177.12717	4.3
187.14842	2.2
191.14125	2.4
197.07214	1.4
201.16347	2.3
203.12756	1.8
207.13884	1.5
225.61621	1.4
233.19031	3.0
237.14870	5.4
243.21010	2.4
247.20543	1.8
261.18552	7.1
261.22153	4.1
275.20056	11.4
293.21182	30.6
293.24649	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	293.2108
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03941	0.4
55.01862	0.8
55.05510	3.3
56.96545	0.3
57.07056	0.9
65.03934	0.6
67.05502	3.9
69.07063	3.0
69.59940	2.1
71.08632	1.5
74.74043	0.2
79.05488	3.8
81.03417	1.4
81.07047	3.6
83.04980	0.8
83.08618	1.4
90.55961	0.2
91.05471	2.2
93.07040	2.4
95.04965	5.8
95.08598	2.5
97.06519	0.6
97.10165	0.8
98.21523	0.5
99.08097	1.0
105.07042	1.5
107.04949	3.4
107.08577	1.2
108.05773	1.7
109.06522	1.8
109.10189	0.4
115.93636	0.3
117.07005	1.0
118.97064	0.2
119.08578	1.0
121.06498	9.9
121.10126	1.0
123.08130	0.4
125.09599	0.6
125.79713	0.3
131.04936	0.8
131.08569	0.7
133.10152	0.6
135.08044	1.3
135.11617	0.3
145.10103	0.6
147.11636	0.4
149.09628	0.4
151.11162	3.0
159.11633	0.4
162.76500	0.3
163.11096	0.3
164.11969	1.5
165.12796	1.5
167.10739	0.3
177.12727	1.5
233.72006	0.2
237.14822	1.5
247.20688	0.3
275.20004	1.7
293.21088	100.0
294.21475	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03935	2.5
55.01877	9.9
55.05510	89.5
57.03438	7.6
59.04997	2.8
62.80428	0.8
67.05505	30.9
69.03424	10.4
69.07063	16.1
70.49638	3.8
71.04993	3.0
79.05492	41.4
81.03408	1.6
81.07056	31.8
83.04993	8.9
83.08614	54.9
85.06520	3.5
91.05481	19.5
93.07042	21.7
95.04961	4.3
95.08617	9.8
97.06533	2.4
97.10168	100.0
98.10505	1.8
98.21506	1.4
101.09682	2.2
105.07032	15.1
107.04957	2.2
107.08593	38.0
108.14984	1.0
109.06504	5.3
109.10162	8.6
111.08071	3.8
117.07008	9.2
119.08578	6.5
121.10141	10.8
123.08090	2.7
125.09630	89.9
126.09950	1.4
129.07039	2.3
131.08562	14.6
133.10117	9.0
135.08063	10.4
135.11639	5.2
137.09619	1.7
139.11226	1.3
141.06978	1.6
143.08549	1.2
143.10677	6.2
145.10133	4.4
147.11678	3.6
149.09642	5.8
153.09091	6.2
153.12738	2.5
157.34094	1.1
159.11687	1.5
163.11198	2.3
171.10204	3.3
171.11647	1.7
173.11758	2.5
173.13237	2.2
181.12285	4.0
183.11649	1.5
189.11218	66.1
190.11539	1.0
201.16428	1.8
203.12691	1.1
203.62157	1.0
207.13754	1.1
219.17468	1.1
221.15370	1.2
229.19652	1.7
239.18105	1.3
257.18954	3.5
275.20041	28.6
293.21149	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03926	5.5
54.25078	2.3
55.01877	7.7
55.05516	30.2
58.71764	2.9
65.03951	4.0
65.08229	2.3
67.05511	54.5
68.82831	2.1
69.07070	30.6
70.15917	14.5
71.04996	6.1
79.05499	48.7
81.03426	9.4
81.06580	5.2
81.07059	100.0
83.04991	6.3
83.08630	15.9
91.05484	36.1
93.07056	33.9
95.04968	28.1
95.08604	32.0
95.51452	2.6
97.06534	7.1
97.10176	3.4
98.20871	3.1
99.08106	4.7
105.07034	41.7
107.04967	8.4
107.08599	23.4
109.06524	27.6
109.10146	15.0
111.08096	7.9
117.07015	10.9
119.08575	31.9
121.06475	5.7
121.10158	18.9
123.08088	15.9
123.11744	6.9
125.09644	4.1
131.08572	14.1
133.10146	21.7
135.08089	4.7
135.11751	4.3
137.05986	4.0
137.09654	10.9
145.10130	11.5
147.11670	19.7
149.09627	11.2
151.11171	5.7
155.08647	2.5
157.10121	5.1
159.11710	9.4
161.13287	5.7
163.11224	9.4
165.12724	4.1
171.11687	3.3
173.13278	7.2
175.11272	4.1
177.12720	4.9
183.11589	2.4
229.19623	3.8
239.17912	4.0
247.20560	5.0
257.19040	9.0
275.20068	65.3
293.21121	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	12.8
55.01871	30.6
55.05512	43.6
57.07073	14.7
67.05505	59.0
69.03406	5.4
69.07076	29.9
71.03812	8.7
73.57880	4.4
79.05498	70.0
81.03412	11.3
81.07063	54.3
83.04962	14.2
83.08625	22.5
91.05486	47.5
93.07047	35.5
95.04979	37.5
95.08598	36.3
97.06514	27.8
97.10172	25.0
105.07048	44.8
107.04977	20.3
107.08599	89.7
109.06538	15.5
109.10180	16.9
117.07030	13.8
119.08565	24.2
121.06506	4.8
121.10141	19.6
121.41460	4.5
123.08082	9.2
123.11713	6.9
125.09641	20.6
131.08572	22.6
133.10143	26.4
135.08005	9.4
135.11696	13.5
137.06017	12.1
137.09618	8.6
145.10132	21.3
147.11700	14.0
149.09619	32.3
151.11195	19.7
159.11714	17.3
161.09673	6.5
161.13237	8.3
163.11183	10.6
165.09129	12.0
171.11676	7.6
173.13318	9.0
177.12775	6.3
185.02461	5.0
187.11166	6.6
189.11261	9.0
191.10713	9.5
209.11813	6.6
225.93456	4.8
229.19630	6.0
237.11238	21.5
239.18019	8.0
247.20569	9.0
257.19119	13.8
275.20068	100.0
293.21179	34.3
312.75708	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	4.2
55.01871	2.9
55.05307	2.5
55.05515	28.2
57.03433	7.7
67.05504	28.7
69.07078	17.0
70.65453	7.6
78.49431	2.1
79.05059	4.3
79.05491	50.7
81.07056	31.7
83.04967	3.3
83.08624	12.6
91.05488	39.2
93.07059	33.6
95.04951	10.0
95.08609	17.6
96.50815	2.5
97.06525	5.4
97.10204	13.7
105.07040	42.1
107.04952	6.0
107.07868	5.1
107.08597	100.0
109.06493	12.1
109.10173	10.1
111.08053	4.6
117.07042	8.4
119.08585	25.9
121.10146	14.6
125.09631	12.1
129.35065	2.6
131.08565	12.7
133.10132	21.0
135.08061	4.7
135.11711	3.5
137.71436	2.6
143.08601	3.3
145.10153	21.2
147.11665	18.3
149.09647	11.7
150.21391	2.4
156.03564	3.2
159.11700	12.1
161.13231	5.1
163.11124	3.9
168.92482	2.4
171.11685	3.1
173.13327	7.1
174.05028	2.6
175.14755	2.8
183.11678	3.3
185.13257	10.6
189.11241	9.7
197.13373	3.8
201.16486	4.2
203.14388	6.2
219.17468	14.9
221.15361	6.4
229.19598	3.0
239.17911	6.2
257.18973	10.0
275.20050	85.0
276.20828	4.0
293.21060	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	8.8
55.01873	17.4
55.05512	40.0
57.03419	3.5
57.07061	3.0
59.05001	3.2
65.03946	4.2
67.05503	75.1
69.03424	4.2
69.07072	37.9
69.72186	18.5
71.04980	6.1
79.05059	4.7
79.05491	60.5
81.03414	15.0
81.06580	5.5
81.07054	100.0
83.04964	12.6
83.08624	22.2
85.06533	4.7
91.05481	40.3
93.07038	55.0
95.04967	32.1
95.08611	54.2
97.06532	15.3
97.10168	16.7
98.20833	4.3
105.07025	42.2
107.04957	17.2
107.08587	54.1
109.06509	16.0
109.10146	27.8
111.08082	8.1
117.07047	13.5
119.08571	33.3
121.06487	12.3
121.10120	22.8
123.08035	10.5
123.11724	6.2
125.09622	12.1
127.11299	3.0
131.04921	3.7
131.08571	22.3
133.06433	2.7
133.10130	29.8
135.08023	11.4
135.11682	11.3
137.09584	11.2
139.11220	4.1
145.10104	17.0
147.11676	22.8
149.09636	25.6
149.13257	6.1
151.11165	16.4
151.54218	2.4
152.48270	2.6
157.10144	5.2
159.11700	12.9
161.09578	5.5
161.13252	3.7
163.11198	16.5
165.09134	4.7
169.10057	3.1
171.08064	2.8
171.11627	3.6
173.09648	3.4
173.13300	8.0
177.12656	5.5
183.11678	5.0
189.11241	8.5
191.14096	3.1
201.12686	2.8
219.20029	2.7
222.33847	2.7
229.19467	6.1
239.17958	4.6
247.20599	8.3
257.19006	9.3
275.20065	92.0
293.21069	36.1
293.27930	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	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03933	3.6
54.77590	1.3
55.01860	4.8
55.05510	48.9
56.20338	1.2
57.03432	4.6
57.07061	6.1
59.05004	1.9
62.20872	1.2
65.03952	2.5
67.05172	2.3
67.05504	33.4
69.03413	4.8
69.07066	41.7
70.06564	3.1
70.07436	1.6
71.04976	6.2
71.08638	2.0
71.58808	2.2
79.05493	21.0
81.03413	5.8
81.07057	62.1
83.04984	5.2
83.08629	8.3
83.66104	1.1
85.06536	5.2
87.08128	1.5
91.05476	17.0
93.07040	34.1
93.28297	1.4
94.06560	3.7
95.04965	16.9
95.08605	58.0
96.08934	1.4
97.06510	6.8
97.09536	2.7
97.10169	47.0
99.08061	2.2
101.06017	2.0
103.05458	1.7
105.07038	22.6
107.04950	4.9
107.07874	1.9
107.08595	32.1
109.06522	25.9
109.10149	31.5
111.08076	4.8
115.07574	1.9
116.07118	4.7
117.07016	5.1
119.08562	15.2
121.06491	8.2
121.10149	22.2
123.04433	4.3
123.08076	9.7
123.11697	15.1
125.06003	2.7
125.09631	14.2
129.00999	2.1
130.07730	1.6
130.76468	1.4
131.08556	11.6
133.06494	2.2
133.10106	14.8
135.08086	5.7
135.11685	13.3
137.06027	1.9
137.09605	3.1
137.13246	12.3
139.11180	3.4
141.01003	1.4
141.09087	2.2
143.08575	2.3
143.10690	5.0
145.10103	10.0
147.04346	1.9
147.08005	2.5
147.11678	7.5
149.09613	26.0
149.13229	9.4
151.11188	16.4
153.09125	2.9
153.12772	1.9
159.11690	14.1
161.09608	1.7
161.13274	4.4
163.11165	10.2
163.14818	3.4
165.12798	2.4
171.11755	1.9
173.13275	10.9
175.14886	2.5
177.12718	10.8
177.16394	1.8
179.10632	2.6
183.11642	2.3
187.11247	2.3
187.14803	3.3
189.16643	1.5
191.14336	5.3
193.12260	4.6
196.13339	2.4
197.07295	5.5
199.66136	1.4
201.12772	2.8
201.16377	2.1
205.06496	1.3
215.18088	2.4
219.13864	5.2
223.13228	7.3
229.19536	6.0
233.18864	2.9
237.14886	17.1
239.17993	2.9
242.39421	1.4
247.20485	7.4
257.18997	5.7
275.20047	26.4
290.69852	1.6
293.08252	2.1
293.21130	100.0
293.24649	6.3
294.09937	1.8
294.21109	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	293.2108
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03955	4.5
55.01879	15.8
55.05505	31.7
57.03416	3.6
57.07079	7.9
67.05501	88.7
69.07068	87.7
70.55412	12.0
71.05000	6.8
71.08628	5.2
79.05490	68.3
79.07122	3.3
81.03408	17.9
81.07053	83.5
83.04977	6.5
83.08627	8.5
85.06581	4.6
91.05476	31.1
93.07047	63.6
95.04967	100.0
95.08598	60.9
97.06548	14.0
97.10181	9.1
105.07038	26.7
107.04940	29.3
107.08595	33.3
109.06519	11.8
109.10159	26.2
117.07026	10.4
119.08571	25.2
121.06531	4.6
121.10149	30.6
123.08015	4.2
123.11724	12.3
131.04950	11.6
131.08548	18.2
133.10127	21.5
135.08054	36.3
135.11722	10.0
137.09631	5.6
137.13283	4.1
139.11192	16.6
145.10129	13.9
147.11703	11.3
149.09610	12.1
149.13235	6.2
151.11171	19.9
157.10118	4.5
159.11725	9.0
161.09627	4.0
161.13332	4.1
163.11128	6.5
173.13261	5.4
177.12782	13.1
187.15021	3.6
191.14374	4.9
197.07298	6.0
201.12671	7.9
203.12805	9.6
207.13870	4.0
237.14859	23.6
247.20511	5.7
257.19031	6.4
275.20056	57.0
293.21140	53.8
293.24481	4.1
297.49460	3.3
313.01447	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	3.3
55.01865	12.5
55.05270	3.8
55.05512	57.8
59.00774	2.7
61.68518	2.5
64.09828	2.7
67.05505	43.0
69.03405	3.7
69.07062	11.1
70.04601	14.9
71.04988	4.9
71.72767	2.7
79.05061	5.2
79.05498	83.0
81.07051	26.1
83.04987	6.9
83.08630	22.4
91.05492	29.9
93.07049	35.0
95.04957	10.8
95.08589	14.7
97.06525	6.0
97.10176	27.2
105.07041	25.4
107.04960	48.9
107.08598	59.4
109.10135	18.0
111.08096	5.4
117.07021	7.7
119.08598	19.7
120.04740	2.7
121.06451	3.5
121.10151	18.5
123.11683	5.4
125.09619	31.3
126.42340	2.9
130.68953	2.7
131.08540	7.4
133.10106	20.5
135.08032	12.3
135.11647	4.5
145.10123	9.5
147.11678	12.2
148.15512	2.9
149.09622	100.0
151.11110	3.9
153.09091	4.0
159.11702	8.3
161.13216	3.4
163.11163	3.5
169.12190	4.0
171.10153	5.3
173.11723	4.2
173.13176	3.9
189.11208	23.4
229.19518	8.7
239.17903	3.3
243.11113	2.9
247.20612	3.5
257.18991	19.5
275.20078	73.0
291.36374	2.9
293.21146	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	11.8
54.91461	2.4
55.01878	16.2
55.05511	46.5
57.03429	8.9
57.07080	13.1
65.03942	4.3
67.05503	57.9
69.03423	5.8
69.07065	66.7
70.65903	8.8
71.04990	8.4
71.08645	6.7
78.62622	2.3
79.05495	85.0
80.01340	2.6
81.03411	18.4
81.07052	61.0
83.04972	16.8
83.08611	22.2
85.02901	3.4
85.06554	6.7
91.05484	43.5
93.07044	70.2
95.04976	41.4
95.08610	49.2
97.06516	13.3
97.10155	10.6
99.08083	3.3
103.05459	7.4
105.07026	48.0
107.04950	73.9
107.08590	40.8
109.06506	10.4
109.10154	17.1
110.33615	2.9
111.08070	5.1
115.07577	5.1
117.06998	17.7
119.08593	39.9
121.06511	8.0
121.10151	37.4
123.08025	6.4
123.11701	5.6
125.09637	10.7
129.01007	3.6
129.07028	3.5
131.04921	14.9
131.08574	20.0
133.10126	40.2
135.08051	46.9
135.11703	4.4
137.09625	8.5
139.11177	7.6
140.74416	2.4
143.08559	2.8
145.10098	16.7
147.11671	17.6
149.09590	17.9
151.11197	27.7
155.08620	3.0
157.10187	3.7
159.11693	13.2
161.09558	4.4
161.13329	7.2
163.11208	10.7
173.13239	4.9
175.11148	4.3
177.12711	7.7
183.11705	2.8
183.13826	4.3
195.13335	3.3
197.07309	10.7
201.16437	3.0
203.12767	5.5
209.11748	3.8
219.13747	4.1
219.17368	3.9
227.42343	2.7
229.19501	3.9
237.11143	3.5
237.14871	5.1
239.18008	4.1
247.20599	11.1
257.19028	12.8
268.58453	3.3
275.20071	100.0
276.20270	3.7
288.21094	3.1
293.21097	74.0
293.24207	2.9
294.14914	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.78642	2.0
53.03937	3.7
55.01867	4.2
55.05507	16.8
57.07077	3.6
67.05503	32.8
69.03437	3.1
69.07064	25.6
70.31103	8.3
71.04978	3.0
79.05494	20.4
81.07053	33.3
83.04962	7.9
83.08617	4.8
87.05366	2.1
91.05473	18.8
93.07039	25.5
95.04979	13.1
95.08596	22.3
97.06523	4.7
97.10157	5.2
105.07032	25.7
107.04950	6.7
107.08595	14.6
109.06489	10.8
109.10155	10.8
117.07001	6.5
119.08578	11.7
121.06496	10.0
121.10127	9.5
123.08076	5.3
123.11710	4.8
129.06982	3.0
131.08569	15.7
133.06502	2.5
133.10141	18.9
135.08044	3.5
135.11670	3.9
137.09630	3.6
143.08560	2.7
145.10152	11.0
147.07971	2.2
147.11687	12.5
149.09564	5.5
149.13300	2.8
151.11163	10.0
157.10028	2.6
159.11702	9.1
161.09660	2.5
161.13290	3.4
173.13263	6.2
191.14351	2.5
201.12680	3.3
207.13727	3.8
219.13773	5.1
229.19504	2.5
231.17450	2.9
239.17775	3.3
247.20564	5.0
257.18961	13.4
274.81372	2.2
275.20071	100.0
293.21112	26.0
294.78284	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.38959	3.1
53.03948	6.1
55.01870	15.6
55.05267	4.6
55.05514	76.5
56.96553	3.9
57.03436	7.8
65.03948	4.2
67.05508	67.3
69.03425	5.0
69.07073	35.4
69.85624	22.6
71.05003	4.2
79.05501	69.7
81.03419	11.2
81.07062	46.0
83.04977	14.3
83.08616	35.3
87.78771	3.5
91.05482	45.1
93.07053	45.6
95.04964	27.0
95.08613	38.3
97.06526	14.1
97.10163	24.3
105.07047	48.6
107.04980	11.0
107.08601	100.0
109.06529	9.7
109.10165	26.3
111.08081	6.9
117.07013	12.2
119.08567	32.1
121.10131	22.2
123.08022	6.8
123.11716	8.0
125.09639	25.8
128.75475	3.4
131.08592	17.2
133.10144	28.8
135.08041	14.8
135.11703	6.3
137.09624	26.8
139.11183	15.8
143.08559	3.6
144.28288	3.5
145.10118	18.7
147.11674	15.9
149.09633	28.2
151.11183	10.1
157.10208	6.5
159.11667	11.6
161.13245	5.7
163.11208	8.8
167.10706	4.4
171.11621	5.6
173.11853	3.7
173.13245	7.6
175.11266	3.4
177.12723	3.4
189.11189	15.0
223.13190	5.1
229.19472	4.0
237.14886	4.0
239.17990	8.8
257.19046	19.9
275.20081	92.0
275.22714	3.7
293.21121	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	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.79679	2.3
55.01866	11.3
55.05506	20.3
57.03435	2.6
58.06715	1.9
59.38731	2.2
66.28152	2.1
67.05505	28.9
69.07069	65.9
69.92793	11.1
71.04993	4.6
79.05495	26.5
79.60130	2.1
81.03424	13.0
81.07063	24.6
83.04989	3.6
83.08631	3.7
85.02886	3.5
91.05495	16.7
93.07040	31.4
95.04970	100.0
95.08603	19.8
97.06539	9.4
97.10163	3.7
99.08016	2.5
101.72961	2.5
105.07018	15.5
107.04977	12.8
107.08578	17.9
109.06533	8.5
109.10170	6.8
117.07021	7.7
119.08590	10.7
121.06502	7.6
121.10159	12.1
123.08064	5.7
130.74940	2.2
131.08553	12.0
133.10097	14.2
135.08061	24.5
135.11646	4.7
137.09642	2.9
139.11160	7.5
145.10146	7.1
147.11708	6.0
149.09624	6.8
151.11195	7.1
157.10123	4.7
159.11690	6.6
161.09628	5.1
161.13286	2.6
173.13292	3.6
177.12781	8.4
201.12848	2.5
203.12863	2.8
207.13818	8.2
219.13940	3.8
223.17039	2.5
225.14839	4.2
237.14862	28.3
247.20595	3.5
257.18997	2.6
260.58203	2.2
275.20071	35.3
293.21112	53.1
294.21255	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01857	6.2
55.05505	25.8
56.96556	13.0
57.03413	7.6
57.07063	4.4
67.05506	25.7
69.03407	4.4
69.07064	28.0
70.03720	12.3
70.04131	5.1
71.04992	2.8
79.05493	49.4
81.03424	4.6
81.07053	29.8
83.04963	4.9
83.08617	13.0
85.06541	5.4
91.05482	36.9
93.07050	35.5
95.04960	13.0
95.08620	25.7
97.06498	4.2
97.10159	13.5
98.97575	8.9
105.07026	41.4
107.04961	6.2
107.07869	5.3
107.08595	100.0
109.06480	13.9
109.10130	7.9
112.99246	3.2
116.36491	2.5
117.07022	9.0
119.08572	26.8
120.33544	2.8
120.59374	2.8
121.10163	14.3
121.77169	2.8
123.08092	6.1
123.11646	3.5
125.09621	14.7
128.76704	3.1
129.06998	5.1
131.00157	3.6
131.08582	13.7
133.10127	20.9
135.11682	5.3
137.09624	6.7
145.10155	18.8
147.11716	18.8
149.01256	13.8
149.09558	15.5
151.11200	3.3
157.10181	4.2
159.11688	12.8
161.13333	6.3
163.11142	6.1
166.14897	3.2
167.02306	4.1
171.11661	3.1
173.13231	7.1
175.11218	3.5
183.11647	4.5
185.13264	9.2
189.11200	10.3
197.13341	4.4
202.59477	3.0
203.10144	3.1
203.14345	6.2
219.17409	19.0
221.15329	7.9
237.08873	3.7
239.17960	8.5
257.18912	14.4
275.20065	84.4
284.12747	3.2
293.13327	3.8
293.21158	24.6
309.95810	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36185	5.9
71.11591	14.4
72.77934	5.0
113.34572	5.2
145.90347	5.5
184.06007	4.8
204.03246	5.3
221.97520	6.5
293.06305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	3.7
55.01873	8.8
55.05510	26.1
56.96554	13.1
57.03421	3.7
57.07062	1.9
59.54786	1.6
62.49817	1.7
67.05506	27.7
69.03422	3.5
69.07072	16.7
70.71935	2.3
70.72278	3.2
71.04993	3.6
71.08623	3.6
73.16186	1.6
79.05067	2.5
79.05493	35.9
80.05843	1.7
81.03431	8.7
81.07051	23.0
83.04958	6.4
83.08628	12.0
85.02901	2.4
85.06506	2.1
87.19241	1.7
91.05476	21.7
93.07043	20.8
95.04973	11.6
95.08611	27.7
97.02898	5.2
97.06538	4.7
97.10175	11.8
98.97578	7.4
99.08100	2.9
99.55640	1.9
105.07021	21.2
107.04930	8.8
107.08594	46.6
108.05743	3.6
109.06520	7.3
109.10167	8.7
112.99072	2.2
116.98612	4.7
117.07024	5.2
119.08559	13.5
121.06525	9.9
121.10143	6.2
123.08058	3.6
123.11732	2.3
125.09660	10.2
128.02344	1.7
131.00163	4.1
131.08615	7.3
133.10101	11.0
135.08049	2.6
135.11664	4.7
137.09642	4.1
139.11180	2.4
145.10103	8.5
147.11697	6.6
149.01236	8.0
149.09633	12.6
151.11189	14.6
156.03590	4.1
159.11719	6.3
161.13200	3.5
163.11147	2.4
165.12851	2.2
167.02298	4.2
171.10185	1.8
171.11647	3.7
177.00699	4.0
177.12807	4.9
189.11249	6.6
192.79605	1.9
197.13252	3.1
209.03264	1.8
209.07509	2.2
212.10605	5.2
221.11153	8.3
229.19519	2.1
232.61932	2.4
239.17921	3.0
247.20662	1.9
251.08771	3.5
257.19037	5.5
275.20032	34.0
285.10034	2.9
293.13589	9.9
293.21109	100.0
294.21561	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	292.1903
Annotation	Dendroxine
Peak:m/z	Relative Intensity
55.05502	1.5
56.96541	0.9
58.49807	0.6
61.11734	0.6
65.20683	0.6
67.05471	1.7
69.07048	1.1
69.50066	0.7
69.51809	5.4
71.04994	22.6
78.86684	0.6
79.05460	1.0
81.07059	1.6
91.05476	2.2
92.05047	1.4
93.07012	1.0
95.08600	1.2
99.04461	6.0
100.11259	0.9
105.07001	0.7
106.06588	1.1
116.98602	0.8
117.05550	0.9
117.06953	0.7
118.06547	22.2
120.08102	1.2
123.04392	2.3
124.04755	2.3
130.06512	1.4
131.04860	0.6
132.08080	7.1
133.08870	2.5
133.09972	0.6
134.09601	1.0
139.03902	3.2
140.04219	2.4
144.08015	0.9
146.09639	4.8
147.04465	0.8
147.10356	0.7
160.11162	0.9
162.09171	5.9
163.09880	1.4
166.05760	0.9
176.14348	76.3
177.14627	0.8
202.15901	2.6
230.15378	8.7
246.14880	1.2
249.08699	0.8
292.15576	7.6
292.19037	100.0
293.19418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1906
Annotation	Dendroxine
Peak:m/z	Relative Intensity
50.43246	0.3
51.84501	0.4
55.01862	1.2
55.05502	0.9
58.38046	0.4
59.64076	0.4
61.96829	0.4
67.05502	0.6
71.04991	30.3
81.07037	1.3
91.05455	0.5
93.07054	0.4
95.04935	0.5
95.08588	0.9
99.04446	7.3
100.98226	0.4
106.06569	0.4
109.10107	0.5
117.05501	1.1
118.02545	0.4
118.06535	22.6
119.07318	1.0
120.08053	0.4
123.04429	1.0
123.11710	0.8
124.04738	1.2
124.12009	0.6
132.08080	3.3
133.08870	1.8
134.09631	1.0
139.03886	1.5
140.04176	1.3
140.62120	0.4
141.83946	0.3
146.09637	5.5
147.10410	0.4
149.02364	0.6
160.11188	0.4
161.11938	0.4
166.05864	0.4
176.14342	100.0
177.14653	1.6
264.84470	0.4
292.19061	93.1
293.19293	2.2
293.22177	0.5
303.92621	0.3
308.13626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1541
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
55.01857	1.1
56.05020	0.3
67.05502	0.5
70.47990	1.2
71.01366	0.5
73.02908	1.3
79.05482	0.5
81.07032	0.5
91.05430	0.3
93.97382	0.3
95.04977	0.3
95.08588	0.4
99.00826	0.7
105.06992	0.4
110.75662	0.3
115.05499	0.3
116.98640	0.4
117.05771	0.6
118.06545	7.7
123.04436	0.7
124.04686	0.4
130.06548	0.8
131.07327	0.4
132.08092	3.7
133.08778	0.6
134.09662	0.4
135.11778	0.3
139.03914	1.4
140.04236	0.7
144.08086	3.6
146.09613	3.0
156.74249	0.3
158.09683	1.1
159.10455	0.5
160.11230	1.5
172.11169	0.8
176.14348	15.5
177.14655	1.0
188.07039	2.9
190.08632	9.6
192.63617	0.4
202.08620	1.5
202.15904	13.7
203.16222	0.9
204.10213	4.9
205.10915	0.7
216.06665	0.4
216.10237	1.1
218.11757	3.4
233.13988	0.5
234.07608	6.0
246.14897	14.5
247.15240	0.6
248.09161	5.2
248.16431	6.9
248.18872	0.3
249.09940	1.1
262.10721	3.0
273.19113	0.3
274.14450	1.9
275.14777	0.4
276.12433	0.4
292.15411	100.0
293.15839	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	292.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01877	4.7
55.05505	3.0
56.96554	3.8
57.03436	4.1
65.98067	0.8
67.05508	4.7
68.05833	1.0
69.03423	6.4
69.07080	5.3
69.81444	3.8
69.81877	2.3
70.07404	0.9
70.77304	0.9
75.21013	0.8
79.05486	8.0
80.05828	1.4
81.03409	1.8
81.07017	4.1
82.40201	0.9
83.04981	1.6
83.08617	0.9
85.06580	0.8
86.06075	5.9
87.04464	1.3
91.05478	3.8
92.05811	1.6
93.07027	4.1
94.06499	1.0
95.04974	2.6
95.08612	4.2
96.05298	0.9
96.08959	1.5
98.06016	1.2
98.20880	1.7
98.97633	0.9
103.05464	0.9
105.07034	16.5
106.07362	1.2
107.04952	5.7
107.08585	3.2
108.05294	2.8
109.06534	1.6
109.10133	1.4
110.44373	0.9
111.04427	2.3
115.05415	1.4
116.98590	1.0
117.07016	1.7
119.08579	2.2
120.08134	1.3
120.08939	0.9
121.06506	1.4
122.09628	1.7
123.04523	0.9
129.07008	1.0
130.06538	0.8
131.08522	1.1
132.08994	0.9
133.05611	1.2
133.06508	11.7
133.10197	0.9
135.08044	1.3
138.05353	0.9
139.03922	1.3
143.08566	0.9
148.07552	5.2
149.01239	1.1
149.09595	2.3
150.09071	2.1
150.10139	1.2
156.03653	1.2
157.08890	1.0
161.01268	0.8
161.09677	1.6
162.09094	4.2
165.09198	1.3
172.11191	1.7
176.07027	1.6
176.10649	0.9
177.07835	0.9
189.09161	1.3
190.12259	8.7
200.10707	8.1
209.07295	1.0
218.11765	100.0
219.12038	2.1
221.79298	0.9
236.12767	11.4
251.08620	1.1
274.14389	1.1
274.18842	2.2
292.19922	6.8
293.21118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75167	0.3
52.44995	0.2
53.03935	0.3
55.01859	0.9
55.05506	0.9
56.05006	0.5
56.96551	0.4
57.03424	0.7
58.02957	0.5
58.06586	0.5
61.02915	0.7
63.37775	0.3
69.03434	2.7
69.85036	1.5
70.06586	1.0
70.76667	0.3
71.04997	2.0
72.08140	0.6
73.02902	0.5
81.03397	1.2
84.08141	3.1
84.76818	0.3
85.02908	4.9
85.54116	0.3
86.06076	0.4
87.04465	0.4
89.31116	0.3
91.03948	0.3
97.02913	1.6
98.97575	0.3
99.04446	0.6
109.02869	0.5
112.07608	7.0
116.42805	0.3
116.98644	0.4
123.04416	0.7
127.03912	1.3
130.08640	100.0
131.08983	1.6
139.03911	0.6
140.04222	0.5
145.04948	0.6
147.04414	0.6
163.03906	0.3
212.98459	0.6
243.93256	0.3
251.00035	0.7
292.13931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03941	5.1
55.05515	20.7
56.45226	2.6
67.05504	33.8
69.07068	20.3
70.66068	9.0
79.05497	58.2
81.07056	44.2
83.04961	2.9
83.08628	7.3
85.06549	3.4
91.05476	33.1
93.07044	100.0
95.04958	8.5
95.08617	32.5
97.06567	4.9
97.10207	3.3
100.19647	2.9
105.04479	3.2
105.07018	20.7
107.04979	12.6
107.08592	57.9
109.06502	3.4
109.10146	16.1
117.06991	3.6
119.08609	17.2
121.10139	50.5
123.04392	4.0
123.11686	5.2
129.06963	2.7
130.23061	3.0
131.08580	6.6
133.10139	11.5
135.11693	55.4
139.03929	4.3
145.10196	4.6
145.24272	2.5
147.11693	11.8
149.09615	8.1
149.13243	30.5
159.11748	4.5
161.13289	11.4
163.11185	6.6
163.14822	7.7
171.11655	4.4
175.14822	5.9
185.13321	3.8
190.13341	3.5
199.14870	3.1
241.19427	5.9
249.18549	4.0
259.20599	10.5
274.10150	2.7
276.10226	9.7
277.07428	4.5
291.12695	4.7
291.19638	13.6
291.23132	71.4
292.09738	7.5
292.23767	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03940	5.4
55.05509	21.5
57.07060	1.7
62.01520	1.5
62.74726	1.4
67.05173	2.4
67.05505	37.7
69.07066	18.8
69.55253	10.8
77.03912	1.5
79.05492	77.1
81.07058	51.6
83.04956	2.3
83.08616	9.3
85.06537	2.2
89.46420	1.8
91.05484	31.9
93.07040	100.0
94.07391	1.5
95.04969	8.3
95.08607	31.3
97.06509	3.6
97.10164	4.1
105.07021	20.1
107.07870	2.9
107.08595	57.9
109.10170	13.5
117.07031	3.8
119.08570	15.8
120.51886	1.5
121.10138	41.9
123.08096	1.9
123.11721	3.4
129.06993	2.8
131.08530	4.9
133.10112	11.1
135.08102	2.2
135.11685	58.2
143.08524	2.8
145.10091	5.4
147.11664	9.1
149.09541	2.1
149.12051	2.1
149.13252	39.9
157.10101	3.5
159.11737	5.4
161.13286	6.0
163.11153	3.5
163.14825	9.4
171.11754	2.7
173.13266	2.0
175.14839	5.0
177.12730	4.6
185.13269	2.6
189.12729	1.8
190.47729	1.9
194.90431	1.5
195.13759	1.8
209.15445	1.6
213.16412	2.7
215.18178	1.8
217.19467	1.7
221.15247	2.7
235.16852	2.0
241.19525	3.3
249.18462	2.0
259.20581	9.4
291.23172	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	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01860	3.8
55.05511	23.2
57.03414	1.3
57.07059	3.2
59.05003	1.3
65.03936	2.2
67.05505	46.5
69.07061	18.3
69.46239	11.0
73.06554	1.2
79.05490	79.0
81.03391	2.8
81.07053	57.6
83.04985	3.2
83.08601	9.5
85.06546	3.5
88.43474	1.0
91.05477	36.0
93.07040	100.0
94.07358	2.1
95.04975	10.6
95.08605	36.6
97.06516	4.0
97.10155	4.9
98.20789	1.2
99.08094	1.6
104.40287	1.1
105.04503	1.2
105.07028	21.1
107.04953	12.5
107.08589	60.0
109.06531	5.4
109.10158	16.4
110.92739	1.3
111.08071	1.9
117.07010	6.0
119.08578	20.4
121.06486	1.9
121.10140	47.1
123.04430	2.7
123.08067	3.5
123.11686	3.4
125.09638	1.3
129.07011	3.7
130.66115	1.1
131.08557	8.8
133.06483	2.8
133.10130	15.4
135.08057	5.2
135.11688	56.4
137.09589	3.6
139.03903	4.2
143.08557	4.8
145.10117	8.2
147.08020	2.2
147.11690	10.4
149.09610	9.6
149.13260	32.7
157.10092	4.4
159.11649	6.2
161.09642	3.0
161.13272	7.2
163.11169	3.4
163.14813	10.2
165.12825	1.5
171.11720	3.4
173.13249	2.6
175.11211	2.6
175.14835	4.4
177.12704	3.1
177.16362	2.6
179.14282	1.5
185.13264	3.2
189.12784	2.6
199.14813	1.7
201.81514	1.0
203.14325	2.8
213.16508	2.1
217.19438	2.0
221.15408	1.5
231.17522	1.7
231.68126	1.3
235.16914	2.1
241.19521	5.4
249.18466	2.8
259.20590	6.2
273.18451	4.9
291.19565	32.6
291.23169	48.3
292.19635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01866	4.5
55.05272	1.4
55.05514	21.6
57.03426	1.2
57.07067	2.4
65.03951	1.8
67.05503	41.0
69.03412	1.3
69.06721	1.7
69.07069	25.2
71.04975	4.7
71.59299	1.1
72.89290	1.2
73.06552	2.5
79.05494	59.8
81.03416	7.0
81.07056	48.8
83.04963	4.7
83.08630	9.1
85.06499	2.9
91.05477	32.0
93.07043	89.4
95.04951	12.6
95.08606	33.1
97.06519	4.9
97.10172	7.9
101.05991	1.6
105.04518	1.6
105.07027	26.0
107.04958	37.5
107.08593	52.7
109.06532	6.0
109.10145	12.5
111.08076	1.6
115.05441	2.0
117.07034	8.8
119.04916	1.8
119.08589	17.7
121.06476	4.5
121.10146	38.2
123.04397	1.7
123.08060	3.1
123.11699	3.0
125.09660	2.7
128.06224	1.6
129.06981	3.9
131.08559	12.4
133.06490	4.0
133.10129	15.5
135.08054	4.1
135.11696	38.8
135.12723	2.5
137.09607	3.5
139.03915	3.4
139.11200	1.3
143.08553	3.6
145.10072	7.5
147.04419	1.3
147.08032	5.4
147.11690	11.8
149.08429	1.3
149.09624	20.8
149.13258	25.6
151.11174	1.2
151.14819	1.3
157.10109	4.4
159.11671	4.7
161.09605	4.6
161.13304	7.6
163.11179	4.6
163.14857	8.9
171.11694	4.2
173.13222	3.1
175.11177	3.8
175.14793	6.0
177.12718	2.8
177.16397	1.9
185.13214	3.2
189.12775	3.0
195.13666	1.2
199.14873	1.6
203.14192	1.7
213.16409	1.3
217.15880	1.2
217.19444	1.9
221.05392	5.0
221.15332	2.1
223.13264	2.0
223.84334	1.2
241.19513	5.8
245.18944	1.3
249.14876	3.2
249.18523	2.8
259.20569	5.0
264.05994	1.8
273.18503	8.6
287.07614	3.4
291.19540	100.0
291.23148	38.8
292.19934	3.3
292.23715	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02387	2.0
52.23447	1.6
53.03933	5.4
55.01861	14.9
55.05262	2.9
55.05510	36.8
57.03424	4.2
57.07055	7.6
59.04988	1.8
60.17142	1.7
62.73369	1.7
65.03927	5.7
67.05504	68.5
69.03412	5.1
69.07066	32.9
71.04970	5.4
73.06532	1.9
77.03896	2.5
79.05490	78.9
81.03408	11.6
81.07053	74.1
83.01355	2.7
83.04962	8.3
83.08626	14.7
85.06524	6.7
91.05474	56.8
93.07038	92.1
93.07630	4.4
95.04979	22.3
95.08604	48.4
97.06521	9.5
97.10154	6.0
98.21632	2.4
99.08107	1.9
102.74410	1.6
103.05444	2.6
105.04498	3.2
105.07023	46.7
107.04951	36.2
107.08587	59.2
109.06512	15.1
109.10144	26.6
110.09100	2.1
111.04424	4.1
111.08074	9.7
117.06987	11.3
119.04945	2.9
119.08569	28.9
121.06521	19.5
121.09316	3.0
121.10139	41.4
121.11013	2.1
123.04408	7.7
123.08048	9.3
123.11689	5.5
125.05976	4.8
125.09615	3.4
128.06224	3.0
129.06979	12.4
131.08563	21.7
133.06480	14.1
133.10124	30.4
135.08038	12.6
135.11688	39.1
137.05952	2.5
137.09583	6.8
139.03885	3.0
139.07578	8.7
142.07729	2.3
143.08511	11.6
145.06450	2.8
145.10112	17.3
147.04411	5.5
147.08072	13.7
147.11665	17.2
149.09618	28.9
149.13242	19.9
151.11182	7.1
157.10104	8.1
159.07982	2.8
159.11699	9.6
161.09605	16.9
161.13234	11.5
163.11148	7.3
163.14818	6.7
165.09122	3.9
165.12695	2.2
169.10144	2.4
171.11763	9.8
173.09532	2.4
173.13176	2.6
175.11209	10.2
175.14812	4.8
177.09010	2.3
177.12741	4.9
179.07047	2.4
179.10617	1.9
179.14253	2.3
181.12289	3.4
185.09680	1.9
185.13248	7.2
187.14760	2.0
189.12686	8.6
196.35013	1.7
199.11237	3.3
199.14868	2.8
203.10649	6.7
203.14209	4.5
207.13802	3.2
213.12892	1.9
213.16403	2.7
217.12210	4.6
217.19576	1.9
219.23451	1.8
223.13318	1.8
227.17882	5.5
231.17438	2.9
235.13281	4.7
235.16942	3.0
237.16408	3.0
245.19025	16.8
249.18483	4.4
255.17461	6.3
259.20349	4.3
263.20053	15.3
273.18503	50.4
279.63748	1.9
291.19522	100.0
291.23135	27.0
292.19727	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03931	7.7
53.42294	2.2
55.01858	11.7
55.05511	26.1
57.03426	5.3
57.07067	4.4
60.78706	2.3
64.14240	3.1
64.17683	2.6
65.03934	3.5
67.05173	3.3
67.05502	38.6
69.03416	7.0
69.07063	25.9
69.47744	14.3
69.48149	6.0
71.04984	5.6
79.05487	50.8
81.03422	12.9
81.07054	64.0
83.04949	9.7
83.08611	8.8
91.05476	46.0
93.07035	44.1
95.04952	18.2
95.08607	25.7
97.06500	6.6
97.10188	3.6
105.07023	41.4
107.04951	20.5
107.08604	31.2
109.02912	3.2
109.06513	11.7
109.10141	16.7
111.04434	2.7
111.08070	5.2
112.64763	2.4
114.75791	2.3
116.06319	2.7
117.06989	15.2
119.04898	3.8
119.08582	23.7
121.06487	22.0
121.10156	16.9
123.04444	3.6
123.08062	8.0
123.11681	2.6
125.09637	2.8
129.06989	10.0
131.08560	19.9
133.06485	15.0
133.10126	25.9
135.08049	18.8
135.11691	8.1
137.09605	4.5
139.07556	6.2
139.11247	2.7
141.06960	2.9
143.08559	9.0
145.10118	15.7
147.08029	10.3
147.11671	9.9
149.09608	18.9
151.11165	8.2
157.10115	6.4
159.08095	5.7
159.11684	7.9
161.09612	16.4
161.13280	4.9
163.11174	4.5
165.12704	3.6
171.11710	10.7
175.11171	9.1
177.09119	8.6
177.12720	3.3
185.09683	2.7
185.13216	3.1
189.12726	5.0
199.11201	4.0
201.16490	3.3
203.10672	4.7
217.12263	4.4
217.15787	3.9
227.17934	6.3
233.15392	21.5
245.19095	16.8
249.18495	80.7
255.17529	6.3
263.20105	11.0
273.18491	65.7
291.19537	100.0
297.53464	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.77503	1.4
55.01865	4.0
55.05504	5.5
57.03446	2.0
57.07069	2.2
59.04991	3.5
62.53202	1.6
67.05498	6.4
69.03429	2.9
69.07066	3.7
70.65289	4.2
71.04978	3.4
72.15450	1.5
79.05502	8.2
81.03399	2.5
81.07079	9.7
83.04983	2.9
83.08633	3.7
91.05476	7.8
93.07041	10.9
95.04966	7.2
95.08612	12.7
97.06528	4.1
97.66187	1.7
102.00603	1.7
105.07038	11.4
107.04965	9.0
107.08595	7.4
109.06543	6.1
109.10175	5.1
111.08076	22.6
117.07068	2.3
119.08559	11.4
121.06513	3.8
121.10152	5.6
122.07314	2.2
123.04482	1.9
123.08063	39.2
125.09599	2.1
131.08580	6.8
133.06522	6.1
133.10126	7.0
135.08067	6.1
135.11729	4.2
137.09613	3.2
139.03889	3.7
143.08554	2.6
145.10138	9.3
147.08032	4.0
147.11699	2.7
149.09602	8.1
151.07542	100.0
157.10156	3.5
159.08029	2.1
159.11789	2.1
161.09583	3.5
163.11192	5.0
171.11653	2.0
173.13283	3.0
175.11201	4.3
177.09196	2.1
178.50558	1.5
179.10689	4.6
187.11127	2.1
189.12752	26.5
191.14339	3.4
192.11465	5.6
197.11708	12.3
203.14404	2.3
207.13800	63.5
213.16461	1.9
215.14424	2.5
216.41153	1.6
217.12303	3.1
233.15367	7.8
235.13397	2.5
255.17393	3.6
273.18524	7.4
291.19547	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	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03943	1.2
53.27882	0.4
54.36831	0.5
55.01865	2.3
55.05270	0.7
55.05510	10.0
55.05767	0.4
56.96605	0.4
57.07057	0.7
59.05005	0.5
61.75373	0.5
63.68704	0.5
65.03940	0.8
67.05500	7.8
69.03425	1.5
69.07073	5.0
70.20837	1.1
70.21229	0.9
71.04984	1.0
71.36367	0.5
79.05066	0.9
79.05493	11.3
81.03394	1.1
81.07059	8.7
82.69336	0.5
83.04967	2.3
83.08607	3.9
85.06532	0.8
91.05482	8.0
93.07047	11.2
94.04158	0.8
95.04967	4.3
95.08605	4.7
97.06490	0.6
97.10178	4.5
97.34939	0.6
98.19532	0.5
101.28414	0.5
105.04520	0.6
105.07031	9.4
107.04956	3.9
107.08597	6.1
108.05727	0.7
109.06508	1.1
109.10136	1.0
115.05400	0.7
117.07017	2.9
119.04925	1.9
119.08575	8.5
120.05721	0.9
121.06516	2.0
121.10146	2.6
123.08054	0.6
125.09602	1.5
128.06180	0.6
129.07001	1.9
130.07822	0.9
131.08543	3.1
133.06473	4.2
133.10118	2.3
134.07277	1.1
135.08051	1.3
135.11674	1.3
143.08559	1.4
145.10133	3.3
147.08064	4.8
147.11673	1.4
149.09595	1.5
149.13251	0.9
157.10120	1.1
157.96480	0.5
159.11755	0.8
161.09602	1.5
161.13245	1.2
162.10394	1.8
163.11179	1.1
163.14769	0.9
165.09148	0.5
168.30737	0.5
171.11687	0.7
175.11192	1.6
175.14838	0.8
185.13266	0.9
189.12636	0.7
200.14276	0.6
217.19545	1.0
223.13210	0.6
241.19368	0.6
249.14833	2.9
255.17436	0.5
262.15692	0.6
268.65390	0.5
273.18509	2.2
291.19547	100.0
292.19928	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03929	0.9
55.01869	2.9
55.05262	0.7
55.05508	9.6
57.03433	1.0
57.07054	0.7
65.03934	1.0
67.05499	8.6
69.03426	1.1
69.07066	5.1
70.02492	1.9
70.02901	1.0
71.04976	1.1
79.05012	0.6
79.05488	11.8
81.03397	1.2
81.06580	0.8
81.07049	9.7
83.04976	1.5
83.08611	4.0
85.06522	0.7
91.05477	9.8
93.07036	11.2
94.04159	0.7
95.04955	3.9
95.08597	4.9
97.06519	1.3
97.10162	3.8
103.05445	0.6
105.07021	9.8
107.04955	4.1
107.08606	5.2
109.06503	1.6
109.10125	1.8
111.89459	0.5
116.06200	0.7
117.07002	3.0
119.04935	1.8
119.08574	6.5
120.05711	0.5
121.06496	2.2
121.10135	2.3
123.04471	0.6
123.08049	1.9
125.09626	1.4
128.06226	0.6
129.07005	1.8
130.07794	0.5
131.08574	3.5
133.06511	4.0
133.10103	2.2
134.07248	1.6
135.08047	2.2
135.11676	1.7
137.09601	0.8
139.03870	0.6
143.08543	1.4
145.06583	0.7
145.10115	3.4
147.08043	5.3
147.11667	1.7
149.09633	1.4
149.13239	1.3
157.10095	1.1
159.11687	1.0
161.09589	1.7
161.13219	1.0
162.10420	1.3
163.11220	1.4
163.14764	0.8
165.09135	0.7
167.44972	0.5
171.11661	1.3
173.13158	0.5
173.45638	0.5
175.11150	1.2
175.14883	0.9
185.13274	1.2
189.12772	0.5
217.19513	0.6
223.13293	1.5
241.19690	0.8
249.14900	2.0
249.18294	0.9
259.20490	0.8
261.14880	0.8
263.16208	0.6
273.18488	3.5
291.19537	100.0
291.47424	0.5
292.19901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03949	3.3
55.01873	24.5
55.05508	12.1
56.30336	1.2
57.03438	20.0
64.21265	1.5
65.03933	1.7
67.05507	20.1
68.30717	1.4
69.03442	3.5
69.07060	6.7
69.94950	4.5
69.95390	4.6
71.05010	2.1
79.05494	41.0
81.03416	4.1
81.07059	17.5
83.04987	2.1
83.08612	3.9
85.06553	4.1
91.05480	32.5
91.06017	3.0
93.07044	21.5
95.04965	8.5
95.08626	10.2
97.06551	3.9
97.10236	1.4
98.20780	1.4
99.04416	1.8
105.07033	21.9
107.04960	23.7
107.08602	24.5
109.06521	61.9
109.10146	3.9
115.05491	3.6
117.07020	13.8
119.08600	11.0
121.06506	7.1
121.10139	4.1
123.08080	2.3
128.06187	1.7
129.06979	7.7
131.08577	13.9
133.06454	2.3
133.10136	6.9
135.08057	100.0
135.11668	3.6
139.03923	2.5
143.08568	6.8
145.10168	7.8
147.08058	5.6
147.11696	4.1
149.09654	10.9
157.10104	6.5
159.11719	5.3
161.09595	9.5
163.11192	2.7
171.11703	3.2
175.11249	3.4
177.12695	1.4
183.11691	2.6
185.13312	2.3
195.11787	2.0
199.14790	4.2
217.15851	16.4
245.19014	2.7
249.72377	1.6
255.17441	3.0
273.18457	15.1
291.19537	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	7.2
55.01873	24.4
55.05512	26.1
57.03439	16.1
57.07084	4.3
65.03945	5.0
67.05502	70.2
69.03416	5.2
69.07059	11.8
70.01898	13.2
71.04987	4.7
79.05063	4.8
79.05495	70.9
79.68727	2.5
81.03402	9.2
81.07059	66.5
83.04978	8.3
83.08624	7.8
85.06541	2.8
91.05485	52.4
93.07039	41.3
93.86122	2.3
95.04970	85.8
95.08595	22.3
97.06522	6.5
97.10163	4.9
105.07031	38.3
107.04964	45.0
107.08588	31.0
109.06515	84.2
109.07265	5.0
109.10179	6.0
109.72916	2.6
111.08056	5.3
115.05444	6.1
116.06222	2.6
117.07024	26.5
118.61713	2.5
119.04969	3.7
119.08585	23.5
121.06522	15.4
121.10133	10.3
123.04421	12.6
123.08096	8.8
125.09622	4.9
128.06223	4.6
129.06992	10.8
131.08572	26.0
132.09273	2.5
133.06487	7.5
133.10182	12.9
135.08054	100.0
135.11702	9.0
135.63382	2.5
137.09621	6.0
137.10666	3.2
139.03889	15.0
143.08546	12.2
145.10109	17.0
147.08054	14.0
147.11685	4.1
149.09593	14.3
149.13293	4.8
151.07562	4.3
157.10150	9.0
157.32834	2.7
159.11682	8.1
161.09639	12.7
163.11163	9.0
169.10236	3.1
171.11731	4.1
175.11308	3.5
177.12721	4.1
180.10133	4.4
185.13225	3.8
189.11258	3.2
189.12860	3.1
197.48405	2.5
199.14850	5.3
204.75632	2.8
217.15967	13.4
245.18982	3.9
249.23236	4.3
255.17336	4.8
270.22177	3.0
273.18488	38.3
282.33423	2.5
291.19577	57.6
291.22885	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	291.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
56.38839	1.1
68.99799	1.5
71.04247	3.5
84.04509	2.3
87.00815	2.6
88.19135	1.2
91.05473	1.9
93.69020	1.3
95.04918	1.9
98.97631	1.5
103.05480	1.3
104.03485	1.4
105.07013	1.4
111.04457	1.5
115.05452	7.7
117.05787	1.7
118.06538	16.0
123.04443	13.9
129.06992	1.7
130.06531	100.0
131.06920	2.2
132.08089	38.8
139.03911	18.2
142.06500	13.8
143.07259	2.3
144.08087	6.4
146.06006	18.2
147.04433	2.8
154.06541	1.7
156.08075	4.1
157.07690	6.0
158.05974	3.1
158.08376	6.0
159.09181	88.1
160.06381	1.4
160.07559	7.8
160.09456	1.8
161.06001	2.9
165.05511	2.8
167.06071	2.2
169.07613	3.1
170.06009	37.8
172.07591	1.9
181.07553	1.9
182.06058	1.9
183.09190	6.5
184.07610	16.2
185.05457	1.3
185.07115	43.8
187.08698	4.0
188.07077	45.2
199.08759	2.6
200.07076	10.5
201.10272	11.9
207.06583	1.9
227.08151	44.6
229.09755	3.2
231.07687	2.4
245.09230	70.8
246.09537	1.9
255.07663	2.9
273.08762	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02367	1.1
53.03933	4.0
55.01868	21.9
55.05269	0.9
55.05510	13.4
57.03434	2.4
57.07062	1.0
58.84922	0.9
61.81287	0.9
65.03926	1.9
67.05502	27.2
69.03410	4.0
69.07065	20.8
70.34473	2.5
70.34881	1.3
71.04998	4.4
71.08604	1.2
79.05065	1.9
79.05492	23.6
81.03407	15.0
81.07055	17.7
83.04980	17.5
83.08606	3.3
91.05474	24.8
93.07039	24.5
95.04963	19.9
95.08610	29.0
97.06526	21.1
97.10166	2.5
98.21383	1.1
99.04453	9.4
105.04459	0.9
105.07031	17.1
107.04950	100.0
107.08579	12.2
109.06509	14.3
109.10165	7.2
111.04438	42.8
111.08085	2.7
113.05994	1.2
115.05418	1.1
117.07007	8.3
119.04955	1.2
119.08570	15.1
120.05708	1.0
121.06505	12.1
121.10154	7.8
123.04430	3.5
123.08049	6.7
125.09600	4.0
128.06265	1.0
129.06999	6.0
130.07816	1.4
131.08556	9.2
133.06488	7.9
133.10123	8.5
134.07291	1.2
135.08055	11.9
135.11679	1.6
137.09612	8.5
139.03848	4.8
139.11197	1.7
143.08528	3.9
145.06448	1.1
145.10130	6.1
147.08043	5.6
147.11699	3.5
149.09613	41.9
151.07536	1.5
151.11203	2.7
153.09093	12.2
153.19717	0.9
157.10144	4.4
159.07993	1.2
159.11697	3.5
161.09612	10.7
161.13300	1.4
162.10413	1.0
163.11154	5.9
165.06947	0.9
165.09151	1.9
165.12749	1.9
167.10684	0.9
169.09991	1.2
171.11661	2.8
173.09584	1.2
175.11186	7.4
177.12709	2.7
179.10658	3.5
185.09557	1.8
185.13277	1.0
189.12720	2.8
193.12230	6.6
195.11726	0.9
199.11209	1.9
203.10909	1.1
213.16254	1.2
217.12358	1.4
218.11732	3.3
221.11758	4.4
227.18010	1.9
229.23558	1.7
235.13268	6.0
245.19031	3.6
249.14824	2.4
249.18648	2.2
255.17389	2.9
263.20001	1.7
273.18488	18.5
289.80673	1.0
291.19525	85.5
291.26755	4.7
292.19778	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
50.28920	2.2
65.57808	2.0
67.05463	2.2
68.99799	2.1
70.17709	7.6
74.68874	2.4
82.79034	2.1
88.03965	2.3
93.19073	1.8
99.69172	2.0
115.05465	3.9
118.06546	13.2
123.04411	19.2
130.06526	100.0
132.08084	42.1
135.04274	2.3
139.03903	31.1
142.06549	11.6
143.07281	4.0
144.08083	6.3
146.05984	19.2
147.04404	6.4
156.08109	2.6
157.07626	6.4
158.06007	3.5
158.08380	7.4
159.09177	85.6
160.07550	6.7
161.05949	2.6
165.05466	2.4
169.07635	2.6
170.06013	35.5
180.08817	2.1
183.09192	6.3
184.07588	12.3
185.07106	41.5
187.08707	4.6
188.07083	39.3
199.08600	3.8
200.07051	9.2
201.10245	14.2
227.08159	43.3
228.08516	2.2
229.09656	3.0
231.07686	2.7
245.09196	69.6
255.07706	3.4
273.08691	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	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01865	2.4
65.03939	1.3
67.05497	1.4
68.99780	2.6
69.03435	0.7
70.22514	2.9
77.03918	0.6
83.04971	1.5
83.45148	0.6
91.05480	2.5
93.03409	1.3
95.04967	3.0
97.02892	1.1
99.05118	0.5
109.02846	0.6
111.04453	4.0
115.05441	1.3
119.04930	8.9
123.04427	68.1
127.03918	1.2
127.13371	0.6
135.04381	0.6
137.02328	1.6
137.05943	0.9
139.03897	100.0
140.04245	1.4
143.04904	3.6
147.03217	1.2
147.04402	23.4
148.04787	0.7
151.03912	2.5
161.05972	8.7
163.03906	2.1
165.05479	14.1
169.05003	1.4
177.05469	1.1
179.07018	2.7
181.04915	1.4
189.05495	2.0
207.06537	6.5
242.95586	0.7
249.07803	1.4
273.07623	1.7
291.08676	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07362	0.4
50.40597	0.4
51.02384	0.5
55.01865	1.7
65.03928	0.9
67.05518	0.9
68.99773	2.2
71.28659	0.4
71.34159	0.9
83.04966	1.5
91.05470	1.5
93.03410	1.1
95.04956	3.0
105.03377	0.7
105.07012	0.7
108.70451	0.4
109.02852	0.5
111.04431	3.3
115.05444	1.2
119.04945	5.6
123.04424	66.4
124.04747	1.2
127.03922	1.2
131.04904	0.5
133.06483	0.9
135.04407	0.6
137.02324	0.9
137.05984	1.1
139.03899	100.0
140.04245	1.7
143.04939	2.5
147.04407	22.2
151.03874	2.6
153.05447	0.6
161.05977	7.7
163.03917	1.9
165.05473	14.9
169.04990	1.2
171.20131	0.5
177.05521	0.7
179.07072	2.5
181.04924	1.0
183.06653	0.4
189.05499	2.0
201.61128	0.4
201.82285	0.5
205.08629	0.6
207.06532	6.3
236.29720	0.5
237.10774	0.4
249.07603	1.2
273.07599	1.3
291.08609	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02379	0.4
53.03945	0.4
55.01863	1.4
60.97477	0.4
63.46752	0.4
65.03937	1.2
65.45982	0.3
67.05498	1.2
68.99785	2.0
69.03423	0.5
69.65974	0.6
69.66382	2.2
77.03926	0.6
81.03425	0.5
83.04964	1.6
91.05489	2.2
93.03386	0.9
95.04975	2.6
97.02911	0.4
105.03397	0.6
105.07033	0.8
107.04919	0.7
111.04441	3.4
115.05451	1.7
116.60301	0.4
119.04942	7.0
122.65207	0.4
123.04427	64.6
124.04755	1.2
127.03904	1.0
131.04967	0.5
133.06480	1.0
135.04430	0.6
137.02324	0.8
137.05994	0.9
139.03900	100.0
140.04224	1.7
143.04926	2.5
145.06403	0.4
147.04407	21.0
148.04723	0.6
151.03906	1.9
153.05437	0.8
161.05994	8.1
163.03911	1.7
163.07478	0.4
165.05482	14.1
169.04999	1.8
177.05530	0.8
179.07011	2.7
179.21251	0.4
181.04985	0.9
184.68184	0.4
189.05481	1.8
190.12317	0.4
205.08635	1.1
207.06525	6.3
214.05994	0.4
244.48067	0.4
249.07635	1.4
273.07626	1.6
291.08582	3.6
304.54523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.35491	0.5
65.03957	0.9
67.05499	1.1
68.99792	1.8
69.03436	0.4
69.87457	2.7
77.33528	0.4
83.04987	1.1
85.02934	0.6
91.05460	2.4
93.03394	0.8
95.04983	2.7
96.00485	0.5
97.02876	0.7
98.21468	1.0
105.03381	0.6
105.07021	0.6
111.04449	3.3
115.05457	1.4
119.04935	6.0
123.04427	65.5
124.04763	1.3
127.03944	1.1
131.04929	0.7
133.06477	1.3
135.04367	0.7
137.02336	1.3
137.06013	1.0
139.03900	100.0
140.04268	1.2
143.04938	2.7
147.04407	22.3
151.03929	2.9
151.07475	0.8
153.05450	0.7
161.05989	8.1
163.03926	1.9
165.05473	15.5
169.04965	1.2
177.05493	0.9
179.07079	2.6
181.05000	0.8
189.05475	1.6
207.06512	7.8
231.06459	0.9
249.07620	1.1
273.07587	1.4
291.08548	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	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03916	1.9
55.05510	22.2
59.04976	1.5
61.25045	1.6
62.05542	1.4
62.38477	1.2
62.48051	1.2
67.05508	20.4
69.03441	1.3
69.07069	17.0
69.96223	6.8
73.06567	1.7
79.05494	22.6
81.07059	28.2
83.08607	7.3
85.06536	4.1
91.05480	60.2
93.07038	20.5
95.04955	3.2
95.08604	22.3
97.06520	2.5
97.10136	1.8
100.51454	1.4
103.05451	4.7
105.07030	96.7
106.07315	2.2
107.08587	13.3
109.06487	1.6
109.10155	8.5
117.07007	19.3
119.08581	63.0
121.10131	7.3
123.08056	1.8
129.06990	5.0
131.08568	24.8
133.10127	68.1
134.10460	1.8
135.08012	2.7
135.11702	3.6
137.09644	1.7
141.06996	2.3
142.07709	1.7
143.08542	4.7
145.10121	23.3
147.11684	31.5
155.08488	2.6
157.10089	5.0
159.11711	13.0
161.09624	1.5
161.13260	16.3
163.11140	1.9
169.10179	3.3
171.11662	5.2
173.13292	15.9
175.14787	3.0
183.11650	3.6
185.13249	1.8
187.11235	2.0
187.14799	3.0
197.13287	4.1
201.12727	3.1
211.14845	3.3
215.14365	3.1
215.17924	3.7
229.19510	1.9
236.25893	1.4
239.18066	8.0
246.25848	1.4
247.16852	1.6
257.19012	14.5
289.21609	100.0
290.21997	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	289.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01867	2.7
55.05511	22.2
57.07064	1.7
59.04984	2.1
59.88891	1.3
67.05499	21.3
67.98960	1.5
68.91817	1.4
69.07060	13.5
69.84232	3.7
69.84646	4.9
73.06545	1.7
79.05486	18.8
81.06583	1.6
81.07053	22.2
83.05003	2.4
83.08607	8.9
84.11765	1.4
85.06528	3.3
91.05479	58.8
93.07043	19.0
95.04952	2.0
95.08607	15.0
97.10169	6.5
97.74342	1.4
98.21416	2.3
103.05429	1.9
105.07030	100.0
106.07397	1.5
107.08585	14.3
109.10150	4.5
115.58218	1.3
117.07021	13.3
119.08577	50.3
121.10123	6.2
125.09601	3.6
129.06982	4.1
130.07753	2.8
131.08557	24.6
133.10127	58.2
134.30623	1.3
135.11687	2.9
143.08531	6.1
145.10118	39.5
147.11687	44.1
149.09570	1.7
150.93008	1.6
153.12595	1.6
155.08617	1.8
157.10141	4.5
159.11713	13.9
161.09634	1.4
161.13254	7.4
163.11060	1.8
169.10144	3.3
171.11682	7.0
173.13242	8.9
175.14789	2.1
183.11662	4.0
185.13333	1.6
187.11203	1.6
187.14825	1.7
197.13295	5.7
201.12741	2.9
211.15054	1.3
215.17969	5.0
239.17918	12.3
252.43715	1.4
252.56664	1.5
257.19019	29.5
289.21600	81.1
290.21881	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	289.2161
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03918	2.9
55.05513	11.8
57.07061	4.2
58.34634	1.6
67.05503	16.8
68.97657	1.6
69.07074	13.0
71.59707	2.4
71.60063	1.9
73.06534	3.0
79.05490	17.6
81.07050	18.5
83.04955	2.0
83.08617	4.5
85.06525	3.8
91.05481	50.9
93.07040	13.7
95.08617	12.5
97.06526	1.7
103.05427	2.3
105.07028	61.8
107.08603	11.1
109.10144	8.5
117.07014	16.8
119.08578	48.0
121.06544	1.8
121.10133	5.2
123.08091	1.6
124.24500	1.5
129.06972	3.9
131.08562	21.1
133.00772	1.5
133.10123	36.4
133.51289	1.6
135.04369	2.8
135.08133	2.2
141.06967	2.8
143.08545	2.4
145.10124	15.1
147.11685	18.0
155.08531	1.8
157.10176	3.4
159.11717	12.6
161.13264	12.0
169.10110	2.7
171.11676	5.2
173.13258	15.4
175.14835	3.2
183.11722	3.9
187.14825	2.7
189.16422	1.8
197.13228	4.1
200.20721	1.7
215.14413	2.1
215.18016	2.1
221.27693	1.7
229.19402	3.4
239.18040	3.9
257.19101	8.2
289.18372	4.2
289.21603	100.0
290.21985	3.5
306.76660	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03933	2.5
55.05502	11.3
67.05505	19.2
69.07080	16.6
69.63565	15.9
79.05486	23.0
81.07049	25.3
83.04943	3.3
83.08597	4.9
85.06522	5.8
91.05474	50.2
93.07031	17.7
95.04975	2.7
95.08609	14.0
103.05416	4.2
105.07030	62.4
107.08582	11.9
109.10150	8.7
117.06999	25.2
119.07794	3.7
119.08585	43.7
119.09424	1.4
121.10142	6.8
123.04359	3.3
123.11691	2.9
129.06995	6.6
130.07594	2.1
131.08560	31.8
133.10130	23.2
135.04387	2.3
135.08089	2.6
135.11615	2.4
137.05956	2.8
137.09615	2.4
143.08549	6.5
145.10147	22.1
147.07993	3.0
147.11684	20.7
149.09624	2.7
151.31961	2.0
155.08516	5.6
157.10150	5.7
159.11691	17.9
161.13223	12.4
169.10074	3.9
171.11687	6.3
173.09564	3.6
173.13220	14.8
175.14845	6.0
183.11723	3.9
187.11183	5.4
187.14769	2.6
197.13297	2.5
201.12749	5.2
213.16356	2.6
215.14267	2.3
215.17928	12.5
229.19490	3.4
239.17981	6.9
243.20930	2.2
257.18991	14.3
289.18317	3.4
289.21600	100.0
290.22021	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.02397	1.0
51.26447	1.0
53.03935	2.0
55.01876	1.9
55.02152	1.0
55.05256	1.6
55.05508	17.8
59.04992	1.8
66.63144	1.0
67.05181	1.4
67.05507	22.3
67.98508	1.0
69.07070	16.4
69.88979	4.8
71.04993	2.3
73.06538	2.1
79.05061	1.5
79.05491	21.0
79.81238	0.9
81.07061	26.1
83.04980	1.3
83.08615	8.9
85.06535	4.3
87.08121	1.1
87.21723	1.0
91.05482	55.8
93.07040	19.7
95.04955	4.0
95.08607	17.3
97.06522	1.8
97.10164	1.8
98.20805	1.2
99.08074	1.5
101.06010	1.1
103.05473	3.1
103.95831	1.0
105.07032	75.2
107.08593	11.8
109.06508	2.2
109.10155	7.0
111.08084	2.0
115.05432	1.5
117.07010	16.9
119.08583	56.6
121.10153	5.9
123.08078	1.2
123.11698	2.1
129.07011	4.8
131.08574	22.7
133.10130	42.3
135.04442	1.1
135.08078	1.6
135.11682	3.9
141.06960	2.7
143.08549	5.1
145.10127	23.3
147.11690	29.5
149.09622	2.2
151.96776	0.9
155.08559	2.1
157.10092	6.0
159.11681	19.0
161.09674	1.8
161.13251	14.4
163.11122	1.7
169.10138	3.9
171.11673	6.6
173.13272	13.9
175.11163	1.9
175.14856	2.2
181.73782	1.1
183.11754	5.5
183.39923	1.0
185.13330	1.7
187.11230	2.0
187.14828	2.1
189.12778	1.4
197.13255	4.0
201.12744	2.0
211.14908	2.0
213.16368	1.8
215.14328	1.5
215.17918	5.1
229.15878	1.3
229.19533	2.9
233.07043	1.3
233.15379	1.3
239.17972	7.1
246.07991	1.4
257.19000	15.0
260.08231	1.2
281.64169	1.0
288.07678	17.8
289.08105	2.8
289.18546	3.4
289.21613	100.0
290.08167	1.5
290.21945	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	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23017	0.9
53.03948	2.3
53.85594	1.0
55.01875	4.6
55.05261	1.7
55.05511	22.7
57.03435	8.4
63.21457	0.8
64.57175	0.9
65.03937	1.6
67.05170	1.5
67.05506	19.4
69.07066	10.0
71.04972	2.2
79.05495	21.6
81.03423	2.6
81.07056	19.3
83.04978	4.2
83.08614	9.2
85.06533	2.5
85.59266	0.9
89.26917	1.2
91.05482	46.7
93.07047	15.6
95.04971	4.3
95.08608	9.9
97.06551	1.1
97.10152	7.6
97.96021	0.9
98.20795	2.6
103.05493	2.1
105.07032	66.9
106.07355	1.4
107.04955	4.1
107.08585	9.6
109.02887	1.7
109.06557	2.6
109.10158	6.5
111.04454	2.4
115.05431	2.2
117.07028	13.7
119.04933	1.4
119.08583	48.7
121.06499	4.5
121.10155	3.9
123.04414	4.8
123.08090	2.4
125.09646	3.6
128.06233	2.2
129.07008	3.4
129.17841	0.9
131.04944	2.2
131.08568	16.4
132.05688	2.0
133.06473	3.0
133.10130	33.9
135.04440	9.7
135.08055	8.7
135.11691	2.4
139.03876	3.9
141.07001	2.7
143.08549	5.1
145.06505	7.4
145.07478	1.0
145.10123	31.3
146.10585	1.3
147.08044	6.4
147.11688	31.9
149.09557	2.4
151.03964	2.0
151.07584	3.3
153.09230	1.2
155.08563	3.0
157.10114	4.7
159.08080	16.1
159.11688	12.0
160.08807	5.4
161.09663	4.8
161.13263	5.9
163.07501	1.8
163.11250	2.1
169.10162	4.6
171.11627	5.0
173.09631	4.0
173.13269	4.2
175.11208	1.4
177.09113	3.9
183.11746	4.1
189.12714	1.1
197.13248	3.3
211.14799	1.7
215.14368	1.9
215.17978	1.8
233.15211	2.4
239.17914	6.4
243.17416	2.5
253.15968	2.6
257.18991	20.0
261.18610	2.9
271.16922	10.3
289.17996	100.0
289.21594	46.6
290.18286	5.4
290.21640	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	289.1796
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03950	3.3
55.01878	15.0
55.05513	32.7
57.03435	29.4
61.38042	1.9
65.03912	2.8
65.79100	1.8
67.05137	2.2
67.05502	43.1
69.03413	4.9
69.07062	18.9
69.46504	8.9
69.46943	7.5
71.04972	2.0
73.06576	2.0
77.07287	2.0
79.05062	3.8
79.05492	43.6
81.03426	4.2
81.07058	41.8
83.04984	49.3
83.08612	8.9
85.06538	3.3
91.05483	65.7
91.41814	1.8
93.07040	43.2
95.04980	15.6
95.08616	29.0
97.06521	7.8
97.09351	2.3
97.10130	4.3
99.04449	11.4
103.05495	3.3
105.07028	62.5
107.04956	34.1
107.08604	22.5
109.06519	22.6
109.10134	11.0
111.04448	17.6
111.08111	4.8
113.06028	3.0
115.05434	4.8
115.51846	2.4
117.07015	26.2
119.08573	41.5
121.06505	12.3
121.10143	8.4
123.04421	8.1
123.08064	6.6
125.05984	10.5
125.09640	2.5
127.07515	2.3
128.06224	8.1
129.07008	14.5
131.04926	4.1
131.08574	25.0
132.05766	2.7
133.06490	17.4
133.10135	29.7
135.04443	14.9
135.08057	19.8
135.11668	5.9
137.05977	4.7
137.09633	5.4
139.03917	3.9
141.06963	6.4
143.08559	8.4
145.06499	12.1
145.10127	23.4
147.08063	17.5
147.11679	14.9
149.05966	8.2
149.09610	7.6
149.13252	5.7
151.03976	2.7
151.07535	5.9
151.11206	3.8
153.09174	2.7
155.08568	8.1
157.10071	9.4
159.08046	23.2
159.11679	14.1
160.08835	3.5
161.06010	3.2
161.09624	18.5
161.13266	9.1
163.07545	8.1
163.11188	5.2
169.10138	7.6
171.11731	9.3
173.09621	8.8
173.13246	10.3
175.07483	2.5
175.11208	7.2
177.09091	4.9
177.12772	8.9
177.39334	2.0
183.11714	5.2
185.09697	2.8
187.11159	6.8
187.14786	6.8
189.12717	3.4
191.10669	3.1
197.13304	6.7
199.11232	3.0
201.12767	2.8
205.15939	8.6
215.14372	10.4
215.17937	4.0
217.12155	2.7
225.16370	3.9
233.15364	18.7
237.61308	2.0
239.17783	2.0
243.17453	11.4
253.15898	4.9
257.19019	5.2
261.18549	18.4
271.16962	22.6
289.17984	100.0
289.21567	24.1
289.24832	2.6
289.40073	2.0
290.18173	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	289.1797
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
51.45457	3.2
53.03941	4.3
55.01866	12.9
55.05265	4.9
55.05515	80.0
57.03235	2.4
57.03437	26.2
57.07061	2.8
65.03928	8.0
65.35547	2.9
67.05510	46.4
69.03410	10.1
69.07064	23.2
69.81489	14.4
69.81896	7.0
70.30225	3.2
79.05495	65.5
81.03401	10.5
81.07061	52.1
83.04977	6.7
83.08618	30.2
85.06538	4.8
89.03922	4.8
91.05482	81.8
93.07043	30.9
95.04955	19.9
95.08613	23.2
97.06539	6.8
97.10175	36.2
103.05424	5.1
105.07033	100.0
107.04955	21.6
107.08598	39.0
109.02841	2.9
109.06516	7.5
109.10148	16.7
111.04465	24.1
111.08065	5.8
113.06099	2.7
115.05445	17.9
117.07015	76.2
119.08582	88.0
121.06494	18.7
121.10152	8.5
123.04420	32.6
123.08057	4.5
125.09631	24.9
127.03910	11.8
128.06230	4.6
129.06978	7.3
131.04919	6.5
131.08563	32.9
132.34261	3.0
133.06506	8.4
133.10123	45.3
135.04417	74.2
135.08052	26.0
135.11722	6.8
137.02286	5.1
137.09502	3.7
139.03888	24.3
142.07808	4.0
143.08569	12.5
145.06490	86.4
145.10133	42.3
147.08020	19.5
147.11682	43.4
149.02301	4.9
149.05971	9.5
149.09604	7.5
151.03938	21.7
155.08549	7.9
157.10123	13.2
159.04355	3.4
159.08070	46.8
159.11690	17.3
161.09593	11.2
161.13246	8.3
163.03932	8.1
163.07532	5.8
169.10147	8.9
171.11705	15.8
173.09671	8.2
173.13287	9.2
177.09184	5.3
183.11752	5.3
189.11230	11.6
189.12744	3.4
197.13232	5.1
225.16420	7.2
231.06549	4.5
233.15421	12.4
239.18100	7.5
243.17525	15.0
253.15938	9.0
257.19083	18.6
261.07739	3.9
271.06021	5.1
271.16953	95.2
284.14398	4.0
289.07346	3.3
289.18008	87.1
289.21609	71.8
289.24829	2.4
302.73145	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
51.76457	1.1
53.03965	2.0
65.03935	7.5
67.01870	1.6
68.77460	1.0
68.99777	6.0
69.03429	1.7
69.42362	10.5
79.05479	2.5
81.03410	1.9
84.04514	4.1
89.03922	3.3
91.05480	1.8
93.03374	6.3
93.16414	1.1
95.04959	6.0
101.44674	1.0
103.78558	1.2
107.04949	71.6
109.02893	1.6
111.04437	28.5
113.45100	1.0
117.03365	2.6
118.45954	1.2
119.04960	3.6
120.00514	1.2
121.02856	12.3
123.04417	37.3
124.58322	1.6
125.73825	1.1
126.24524	1.3
127.03896	13.7
131.04955	2.5
131.08633	1.6
132.04424	1.6
135.04411	100.0
136.04773	1.3
137.02351	3.9
139.03897	37.1
141.06976	3.8
145.06526	1.3
147.04330	2.3
147.08067	2.5
149.02338	75.4
151.03903	20.1
153.01819	87.9
157.06494	1.2
157.07605	2.0
158.06017	2.5
159.04404	2.7
159.08052	1.6
161.06004	2.1
163.03891	14.6
167.03387	8.9
169.06479	5.8
173.06006	1.8
177.05560	2.3
179.03429	3.7
180.75693	1.3
185.05997	1.6
187.07587	1.6
195.02837	9.2
197.05989	7.8
213.05368	1.7
215.07019	62.3
231.06505	5.4
242.05751	2.4
243.06528	54.8
244.06801	2.1
251.96104	1.3
259.06076	6.9
261.07532	6.7
271.05978	18.4
289.06985	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	289.0706
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
51.02373	1.0
52.76819	1.1
53.03933	1.0
55.01868	1.2
65.03937	6.0
65.37514	1.0
67.05504	3.3
68.99787	4.0
69.03426	2.1
69.29583	1.0
70.01414	2.4
70.01830	2.7
75.82539	1.0
77.03929	1.5
79.05499	2.3
80.53237	1.0
81.03419	1.3
83.01365	1.3
83.04984	1.2
85.02887	2.1
87.04448	1.1
89.03922	3.9
90.32652	0.8
91.05470	1.9
93.03403	5.0
93.07060	1.0
95.04978	4.7
97.02874	1.1
98.20834	1.8
98.97549	1.1
103.05479	1.8
105.03378	2.1
107.04945	10.6
111.04455	18.3
117.03382	4.0
121.02873	3.2
123.04428	100.0
124.04755	1.6
127.03906	13.6
131.00079	1.2
131.04915	3.9
133.06573	0.9
133.10063	1.0
135.04411	72.8
136.04768	1.1
137.02367	1.2
139.03905	36.6
141.06961	1.3
143.05026	0.9
145.02863	3.6
149.02350	16.4
149.05994	2.2
151.03912	16.2
153.01741	5.6
159.04401	2.5
161.05945	1.6
162.49185	1.0
163.03914	31.9
167.03409	1.0
169.06477	3.3
173.05991	1.2
177.05486	1.7
179.03461	1.8
185.05942	2.6
187.03885	4.5
197.06026	5.2
201.05550	2.3
203.06941	1.4
205.04999	4.0
215.07013	15.1
217.04962	1.2
225.05525	1.9
229.04985	1.7
231.06552	2.9
243.06566	23.2
245.04478	2.4
253.05060	2.2
259.06039	6.8
261.07581	5.2
271.06021	13.8
289.07111	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
65.03938	9.6
67.01850	1.8
68.99791	5.7
70.23960	3.3
70.24354	3.1
75.28023	1.4
79.05496	1.8
89.03914	4.0
91.05479	3.5
93.03410	4.7
95.04940	3.0
107.04965	17.2
111.00775	1.8
111.04433	23.9
117.03374	4.0
119.05030	1.7
121.02830	7.5
123.04426	41.1
126.11542	1.5
127.03909	17.2
130.49954	1.5
131.04939	5.1
135.04411	100.0
137.02280	4.0
139.03905	33.2
141.06996	4.4
146.52811	1.6
147.04362	1.4
149.02335	39.4
149.05989	3.0
150.03001	1.3
151.03886	17.6
153.01849	9.9
159.04430	2.0
163.03906	13.2
169.06496	3.7
171.02936	2.2
173.05974	1.9
177.05531	1.9
179.03400	2.6
182.70787	1.3
185.06021	1.5
187.07639	1.7
197.06001	6.7
213.68471	1.5
215.07037	33.3
231.06551	4.8
243.06532	44.5
246.03261	1.8
259.06009	6.0
261.07587	7.3
271.06027	19.7
289.06967	7.8
310.45071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
55.01857	3.3
56.96559	5.9
57.03431	3.4
57.30920	1.5
58.99535	1.2
61.02901	4.3
61.19256	1.1
65.03925	5.8
65.46059	1.4
67.05497	2.5
68.99772	2.2
69.03432	9.5
69.71944	6.9
70.06590	3.5
73.02895	3.5
81.03410	3.2
83.04977	1.3
84.96030	1.4
85.02903	13.0
86.03259	2.2
87.04472	1.5
89.03918	5.1
93.03396	3.7
95.04960	3.4
97.02904	7.9
98.97587	8.9
99.04454	2.6
101.00870	2.1
104.01285	1.7
107.04950	7.0
109.02869	4.5
111.04436	29.1
115.05482	1.3
116.98611	6.4
117.03369	3.4
119.01911	13.6
123.04427	42.4
127.03925	31.9
127.04929	3.2
128.98584	2.9
131.01883	2.7
131.04944	2.6
133.03497	3.1
134.99625	3.2
135.04416	100.0
137.02269	2.2
139.03911	45.5
143.00185	2.5
144.10191	3.5
145.04987	1.3
146.99564	2.5
149.02322	6.9
149.05959	2.3
150.99046	1.3
151.03882	18.0
154.08261	1.5
158.99741	1.4
161.02904	6.8
163.03873	15.3
168.03702	1.5
168.68703	1.4
173.02902	2.3
173.06006	2.1
177.00708	3.0
177.05460	3.3
185.03928	1.6
186.02193	11.5
186.04147	4.4
187.00897	3.3
187.04027	2.8
189.00719	1.9
189.02463	2.1
191.53923	1.9
197.05814	3.7
198.04675	1.7
198.19145	1.3
198.54837	3.6
203.05310	1.6
205.04974	1.6
207.05211	3.2
207.55385	3.2
215.00266	2.4
215.07033	2.2
219.01743	1.8
231.06544	4.7
234.99007	1.9
241.05048	1.4
243.04311	4.9
243.06442	7.4
251.04454	2.9
259.06049	7.6
261.07620	8.4
271.05969	5.7
285.01273	1.7
289.06995	5.3
289.12405	8.1
293.05423	3.2
294.05826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.0
58.99552	0.8
65.03941	0.6
67.05483	1.6
67.65707	0.5
68.05016	0.8
68.99780	1.2
69.03397	0.9
69.56611	4.6
70.99567	1.8
79.05493	0.6
84.08131	0.7
85.02879	1.2
85.06529	0.7
87.00840	0.6
89.03894	0.9
91.05430	0.6
95.04945	1.2
96.04466	0.9
97.01129	0.9
97.02883	0.7
98.21411	1.2
98.30914	0.7
107.04949	1.3
109.02821	0.7
111.04427	4.5
112.02183	1.0
113.00568	2.4
114.00111	1.3
117.03341	0.8
123.04432	10.8
124.02197	1.0
127.00838	0.9
127.03909	4.8
130.06525	11.2
131.04884	0.7
132.04431	1.6
132.08022	0.7
135.04414	13.7
139.03917	7.4
140.01639	1.2
142.04947	1.1
149.02316	0.7
151.03928	3.4
157.07608	18.2
158.06024	8.0
158.07997	0.7
159.09172	2.5
163.03899	4.9
168.01099	1.6
169.07677	0.7
175.08766	1.2
177.05466	1.0
179.03355	0.8
185.07091	2.3
186.02203	100.0
187.02542	1.0
197.03812	12.5
197.07358	0.9
199.08702	1.3
203.08148	12.4
208.47591	0.6
214.01695	11.1
225.03244	1.6
225.06619	0.8
227.08263	1.3
231.06581	1.5
232.02649	1.0
243.04353	45.2
245.04555	0.8
245.09200	2.2
252.68228	0.6
259.06036	1.2
261.07675	0.8
266.15536	0.6
271.03754	1.1
271.06949	4.4
289.04807	3.7
289.07605	2.1
289.12592	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	288.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05351	0.2
55.05259	0.5
55.05509	5.5
55.25578	0.3
56.05035	49.9
57.05369	0.3
57.07072	1.0
58.06593	1.0
58.24619	0.2
67.05505	2.2
68.90788	0.2
69.05814	0.5
69.68213	1.5
71.09708	0.3
82.06579	1.7
84.04500	3.1
84.08141	34.7
85.08485	0.3
86.09708	4.3
95.08639	0.3
95.89805	0.2
97.07649	0.4
98.06065	0.7
106.06547	4.5
111.04429	0.6
112.11263	0.5
115.90449	0.2
123.04421	0.9
127.08675	100.0
128.09010	0.9
135.04424	2.1
139.03893	0.4
139.87399	0.2
141.06578	0.9
150.67339	0.3
151.03882	0.4
163.03899	0.4
169.13359	43.1
170.13658	0.5
180.61603	0.2
246.12383	43.2
247.12740	1.3
247.15001	0.3
288.17053	39.2
289.17477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01867	0.9
56.05032	10.6
56.96562	4.1
57.03420	1.4
59.04990	0.6
60.05651	2.3
61.02921	1.2
62.73399	0.4
67.04242	2.1
68.05029	2.6
69.03425	4.3
69.99360	1.6
69.99786	0.7
70.06590	11.5
71.04985	1.2
72.08158	1.0
73.02895	1.9
77.85322	0.4
80.04997	0.8
81.03408	1.3
81.04533	0.5
81.07052	0.5
83.06077	1.1
84.08134	1.3
85.02441	0.5
85.02907	6.4
86.06095	0.5
86.09701	4.0
87.04462	1.2
91.02322	0.6
91.03955	0.4
95.06102	2.4
95.06593	0.5
96.04469	0.5
97.01105	1.4
97.02351	0.5
97.02881	4.1
98.00671	0.8
98.03217	0.5
98.06068	0.9
98.20853	0.5
98.97593	3.6
99.01412	1.3
99.04436	0.6
100.99109	0.4
103.02357	0.4
105.04504	2.2
106.02829	1.3
106.05273	1.0
108.04464	1.5
108.05581	0.5
109.02851	1.1
110.01260	0.6
110.06030	1.0
110.07194	0.6
110.97550	0.8
111.39262	0.4
111.98539	0.8
112.02171	1.7
112.08737	1.1
112.99120	1.8
113.01689	0.6
114.05534	0.4
116.07109	2.2
116.98608	2.5
118.02811	0.8
119.01871	1.7
122.00581	1.0
124.02148	1.9
124.07582	0.6
125.03519	0.6
126.04551	0.7
126.05515	15.1
126.06587	1.3
127.03890	1.6
128.02335	0.5
128.98618	0.7
129.99596	2.9
130.09732	0.8
131.00180	2.7
133.03375	1.0
134.99620	0.8
139.03249	25.1
140.02354	0.7
141.01169	2.8
141.06592	0.4
143.76389	0.4
145.01714	0.8
145.03397	0.4
145.04922	0.8
146.99660	0.6
148.03851	1.0
149.01190	1.6
149.02838	0.4
150.00081	6.6
150.58084	0.4
154.03812	0.8
156.07713	0.6
156.11345	0.6
157.04344	1.1
158.09235	1.0
158.99661	0.5
161.01233	0.5
161.02838	0.5
163.02782	2.4
163.04411	3.3
167.02745	4.3
168.01134	2.9
169.00751	0.6
169.04411	3.0
170.05183	0.8
170.55354	0.4
175.02751	1.0
175.11923	5.0
177.00725	1.0
177.54327	0.7
178.04933	12.8
178.06465	0.8
178.55125	1.1
179.02704	1.7
181.03926	0.5
182.03346	0.7
182.53508	0.4
185.03798	60.3
186.02251	0.9
186.04250	0.7
187.01730	0.6
189.00749	0.6
189.55704	1.5
191.03821	0.5
193.03783	0.8
196.00629	12.6
196.05409	13.4
198.04675	0.4
201.00670	0.4
207.05281	0.7
207.06995	3.6
211.04910	1.0
213.03267	0.9
219.01794	0.9
224.04985	0.7
225.03287	8.2
231.04288	0.4
235.06653	0.5
237.02812	2.7
242.05939	100.0
243.06203	1.4
250.07109	1.2
271.03842	3.9
271.17569	1.1
277.05914	0.6
288.06454	8.0
288.10196	4.5
288.20288	10.0
288.22897	0.4
295.07077	2.0
296.07343	0.4
307.06985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
57.73599	0.2
58.06593	1.9
61.88441	0.2
62.72400	0.2
62.88839	0.2
66.48829	0.2
69.03403	0.3
69.92472	0.2
70.06041	1.1
70.06576	0.2
72.53329	0.2
84.08141	1.9
85.02896	0.6
97.26765	0.2
98.20782	0.2
98.97572	0.3
99.04482	0.2
102.05528	0.4
119.01830	0.4
125.65723	0.2
131.01831	0.3
139.03255	0.3
144.10191	100.0
145.10530	1.3
150.74808	0.3
198.04665	0.4
214.61006	0.3
242.05806	0.2
287.19687	0.7
288.10602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07850	1.3
55.01854	1.4
55.05516	2.5
57.26381	1.4
60.18122	1.3
67.05498	4.1
68.13828	1.3
68.83372	1.3
68.99796	1.7
69.07068	75.5
71.12772	3.4
79.05464	4.0
81.03389	1.7
81.07051	3.6
82.01530	1.2
91.05487	4.9
93.07025	1.6
94.06556	5.3
95.04939	3.9
95.93669	1.6
97.06525	3.3
98.97546	2.0
104.04988	1.7
105.07024	2.0
106.06533	1.8
107.04933	1.6
107.07311	1.6
107.08610	1.9
111.43210	1.4
112.07608	1.9
117.07004	1.7
118.06543	16.2
119.04924	1.4
119.07308	2.9
120.08081	5.9
121.06525	5.2
122.06008	5.9
124.07580	2.4
134.05981	1.6
135.04381	1.4
136.06168	1.2
137.05925	1.6
140.07063	100.0
144.08112	4.6
146.05995	9.8
147.06798	6.9
148.07573	45.0
149.02348	6.5
153.01752	1.7
156.08107	1.9
157.08842	1.8
158.09660	3.2
163.03857	2.0
164.07068	3.5
168.07965	2.1
171.10388	3.3
172.07561	1.7
174.05531	4.0
174.09134	3.9
177.00761	2.5
181.08965	1.9
184.07556	1.6
186.09123	5.2
188.10667	4.3
189.11505	5.5
196.11157	2.2
198.09172	3.3
199.09956	8.3
213.05444	1.6
214.08673	2.3
214.12251	14.4
216.13811	2.7
223.08537	1.7
224.10660	3.3
226.12296	7.3
227.09366	2.2
230.05670	1.5
231.06555	3.7
232.14226	1.5
241.13333	2.6
242.11749	47.4
243.12436	2.5
243.14922	43.6
252.10080	1.6
259.06015	4.1
269.12860	14.8
270.11221	57.8
287.05521	23.5
287.10724	2.4
287.13876	28.6
287.16815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	1.4
57.78621	0.9
61.02941	1.1
63.00049	1.6
64.99733	1.3
69.03426	1.5
69.71098	4.8
69.71504	2.2
70.06583	4.4
72.08167	1.6
79.05520	1.0
84.08144	1.3
85.02902	2.9
86.09717	1.1
91.05473	1.4
96.06875	3.0
97.02876	1.4
98.98435	1.2
101.48443	0.9
102.81491	0.9
107.04931	1.1
107.06077	1.3
112.07637	1.9
117.03378	1.2
119.73344	1.1
121.06555	5.8
125.07113	14.6
135.04449	1.1
140.07092	1.6
145.02916	1.1
149.02322	1.3
156.01147	3.0
163.03920	6.2
166.74323	1.0
171.07666	5.4
184.00664	5.0
206.80486	1.0
222.91205	1.0
231.06364	1.3
241.02821	4.5
242.05896	1.8
269.14981	3.4
287.05594	7.2
287.11017	100.0
287.15585	7.0
288.11414	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	287.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34848	1.0
55.05507	1.5
55.30373	0.9
65.03943	2.0
65.15855	1.0
66.47495	0.9
67.05505	5.0
68.05037	1.4
69.03430	2.0
69.07067	14.7
69.50365	4.1
69.50802	3.8
71.04979	1.1
79.05505	2.3
80.05035	2.5
81.07040	1.9
84.04477	0.9
84.08146	1.4
86.09700	1.2
89.95714	1.0
91.05495	8.7
93.05783	4.2
93.07082	2.6
94.06572	18.9
95.04972	5.1
96.04465	1.2
97.06522	3.6
103.05478	1.5
104.04990	4.5
105.07056	1.8
106.06542	1.9
107.04952	1.3
107.07354	1.3
108.04416	1.0
109.06509	1.6
110.06033	4.1
112.07629	3.1
115.05434	1.3
116.04987	2.7
117.05753	2.1
118.06548	100.0
119.04971	1.2
119.07352	15.5
120.08125	8.9
121.06503	2.9
122.03643	1.5
122.06036	32.6
123.04415	1.3
124.07601	2.9
124.58884	0.9
128.06230	1.2
130.06520	1.9
131.08546	1.0
132.08058	1.5
136.07559	1.5
137.05977	10.3
140.07072	33.5
141.06976	1.4
142.08624	2.4
144.08150	1.9
145.10065	1.3
146.06023	31.7
146.09679	1.7
147.04396	1.3
147.05603	1.3
147.06796	29.0
148.07582	53.1
149.02271	1.2
154.06477	1.6
154.07718	1.6
157.08920	1.4
158.09692	3.5
161.05914	1.1
164.07068	5.1
168.08096	1.5
169.10149	1.3
170.09656	2.5
171.10483	3.6
172.07582	1.9
174.05446	1.0
174.09180	1.9
177.05330	1.0
180.08057	1.6
181.07584	4.2
181.08978	2.0
182.09673	1.7
183.10448	2.5
185.03755	1.2
185.08284	1.1
186.09169	3.0
186.12762	1.0
188.07211	1.2
188.10722	3.2
189.11464	7.2
195.09181	7.1
196.07426	1.2
196.11220	1.8
198.09268	1.5
198.12912	2.0
199.09952	4.7
200.10735	1.6
203.03497	1.4
205.16718	1.1
210.09216	1.4
210.11455	1.3
213.13763	1.1
214.08662	1.5
214.12302	12.7
216.13815	3.3
223.08682	13.2
224.10751	3.1
226.12430	6.8
227.09360	1.4
231.06438	1.2
241.09714	2.0
241.13303	5.3
242.11778	42.5
243.12396	2.2
243.14943	43.5
251.08118	1.1
254.10469	1.8
259.14432	3.2
269.09476	3.1
269.12848	26.0
270.11227	45.1
271.11551	1.4
287.05646	6.5
287.10242	14.6
287.13916	24.4
305.14923	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	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
56.05024	1.1
56.96566	1.2
57.03420	0.9
57.15701	0.6
59.04987	1.8
60.59638	0.6
61.02929	5.9
68.05016	1.4
70.06589	13.3
71.04989	5.1
71.13892	1.2
79.05499	2.5
81.04565	1.5
81.07063	12.2
82.05325	2.0
83.06104	12.5
87.08113	1.1
89.83910	0.6
93.04523	8.1
95.05504	1.3
95.06088	17.8
95.83107	0.6
98.97591	1.0
99.35352	0.7
107.06078	2.9
110.07166	100.0
111.05579	1.6
111.07516	0.9
112.07616	8.1
112.08712	2.5
119.06081	1.1
120.05576	0.7
121.07614	2.6
122.06020	1.1
127.04846	0.6
127.22485	0.6
133.77379	0.6
138.68007	0.6
140.07076	4.3
156.07687	13.1
163.03931	0.8
163.12308	50.8
164.12706	0.9
164.36153	0.6
166.06134	2.0
171.00758	0.7
174.50780	0.8
181.13278	0.6
185.09250	1.9
190.13376	7.5
193.13399	0.8
208.14426	10.0
209.12883	0.7
210.16014	1.1
212.15149	1.0
216.25945	0.6
219.11279	1.2
236.13892	5.8
240.10129	0.7
240.17091	7.9
242.18608	0.9
244.20763	0.6
254.15007	19.2
268.16476	1.0
286.17618	49.3
287.10892	1.4
287.17819	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1847
Annotation	Hexestrol monomethyl ether
Peak:m/z	Relative Intensity
53.03953	1.1
55.01870	0.8
55.05513	3.2
60.41477	0.5
65.03937	0.6
67.05506	5.9
67.44431	0.4
69.07072	4.2
70.42054	1.8
71.05002	1.0
77.03884	0.5
79.05049	0.9
79.05492	8.7
81.07059	9.4
91.05485	8.2
93.07047	10.4
95.04977	2.8
95.08614	8.7
97.06527	1.3
97.10178	0.6
98.20875	0.6
103.05453	1.8
105.07034	32.4
106.07364	0.6
107.04957	66.6
107.07864	1.1
107.08595	21.3
108.05319	1.0
109.06513	4.8
109.10154	2.9
115.05487	0.7
117.07027	2.3
119.08577	5.4
121.06513	11.0
121.10168	4.3
123.08060	4.5
123.11674	1.0
128.30118	0.5
131.08562	6.5
133.06494	100.0
133.10106	5.6
134.06851	1.9
135.08043	2.4
135.11713	1.8
137.09628	1.0
137.13258	0.9
143.08514	0.7
145.06519	2.7
145.10124	1.8
147.08067	5.0
147.11690	17.2
149.09619	2.6
149.13225	0.9
151.11208	2.6
153.12773	1.6
157.06483	2.5
159.08125	3.1
159.11653	0.8
161.13234	0.9
163.07504	0.9
163.11166	0.8
163.14812	1.6
165.12747	2.6
171.08055	1.4
173.09628	2.1
173.13280	2.2
183.08069	1.4
185.09590	0.8
187.11235	0.8
191.14290	6.5
197.09593	1.1
199.11224	1.2
201.12674	0.7
211.11229	2.8
225.12733	0.8
227.14317	1.2
229.12305	2.4
239.14218	0.7
267.17404	6.9
285.18497	68.9
286.18777	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	285.1848
Annotation	Hexestrol monomethyl ether
Peak:m/z	Relative Intensity
53.03938	2.0
53.21436	0.6
55.01851	1.5
55.05512	5.1
55.77380	0.6
56.96557	1.4
57.03423	2.3
57.07074	1.4
63.00040	0.9
67.05505	9.8
69.03432	1.3
69.07073	5.8
69.38184	1.1
69.38581	5.4
71.04990	1.3
71.32078	0.6
79.05493	12.5
81.03431	4.0
81.07059	15.3
83.04987	1.9
83.08611	2.6
85.02909	1.8
91.05476	12.6
92.19989	0.6
93.07043	12.6
95.04977	5.3
95.08604	10.6
97.06545	1.4
98.97602	1.2
98.98434	0.7
99.08105	0.6
103.05460	2.5
105.07032	31.9
107.04956	65.3
107.08595	21.7
108.05303	1.2
109.06523	6.0
109.10147	4.4
111.08061	1.5
115.05441	1.1
116.98631	1.9
117.07014	2.9
119.08582	7.4
121.02854	0.7
121.06505	10.0
121.10152	5.5
123.08054	6.1
123.11715	1.4
129.07027	1.4
131.04935	1.0
131.08569	5.7
133.06493	100.0
133.10138	6.1
134.06821	1.9
134.99649	1.4
135.08060	2.4
135.11693	1.7
137.05966	1.2
137.09621	1.6
137.10625	0.6
143.08569	0.7
144.05676	0.6
144.85399	0.7
145.06467	2.9
145.10146	2.7
147.08055	4.3
147.11693	20.8
149.09627	2.7
149.13231	0.8
151.11183	2.2
153.06999	0.7
153.12735	1.7
157.06535	1.7
157.10098	1.1
159.08052	3.3
161.05960	1.9
161.09712	1.0
161.13324	0.9
163.07565	1.3
163.11160	1.5
163.14835	2.0
165.12819	3.3
171.08099	1.4
173.09628	1.6
173.13287	1.8
175.07530	0.9
175.11241	1.0
183.08051	0.9
185.09637	1.4
187.11050	0.9
191.14317	7.0
193.12241	1.8
197.09618	1.8
197.13245	0.7
211.11147	2.9
225.09135	0.9
225.12720	1.6
227.14302	1.2
229.12288	2.4
253.08665	1.9
267.17450	6.0
285.04388	0.9
285.07565	2.9
285.18521	67.6
286.18942	4.0
303.11270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.01859	1.9
55.05271	1.2
55.05512	15.4
57.03434	20.0
57.07053	1.5
58.71476	1.0
63.00013	2.1
65.03920	1.7
67.05504	36.0
69.03409	2.3
69.06734	1.4
69.07063	19.2
69.27450	5.0
69.27885	4.7
71.04984	6.1
79.05067	1.3
79.05489	21.1
81.03432	5.3
81.07054	100.0
83.04971	7.9
83.08607	9.5
85.02881	3.5
85.06543	5.7
91.05475	27.0
93.07043	14.5
95.04968	6.2
95.08065	1.2
95.08609	19.7
97.06522	8.1
98.98431	1.5
99.04432	1.3
99.08118	4.7
101.06007	1.4
105.07030	39.7
107.04942	2.1
107.08598	14.3
107.56351	0.9
109.06510	7.7
109.10131	3.3
111.08102	1.9
117.06996	2.7
119.08576	30.0
121.06528	1.5
121.09322	1.3
121.10146	19.7
123.08064	4.9
123.11699	32.6
127.07523	2.4
128.06174	0.9
129.06973	2.8
131.08574	4.1
133.06459	3.0
133.10114	4.7
135.11690	0.9
137.05937	1.3
137.09552	0.9
137.13223	1.8
142.07773	2.1
143.08537	1.2
145.10104	3.5
146.03630	1.0
147.11685	76.0
148.12022	1.1
149.09512	1.0
151.03842	1.1
157.10130	5.6
159.11691	2.6
161.05952	3.9
165.06953	3.0
165.11397	1.8
165.12752	31.3
169.10037	1.2
171.11719	1.7
173.13222	1.0
175.11218	4.6
182.07172	2.4
183.11679	0.9
183.13747	3.5
187.14771	1.4
191.07027	1.3
193.06375	2.8
193.12248	5.3
199.14766	2.2
210.06705	3.1
211.13213	2.1
221.05933	2.9
225.09042	6.5
229.14264	4.3
253.06718	0.8
253.08662	9.2
267.15710	4.3
267.20966	1.3
285.07874	1.4
285.11227	7.4
285.16901	29.1
285.21729	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01874	5.4
55.05510	14.8
55.33726	1.5
57.03438	24.4
63.00045	2.2
66.81638	1.3
67.05499	22.8
67.35652	1.4
69.03440	4.5
69.07061	6.1
69.63629	12.0
71.04987	7.7
73.38528	1.5
79.05501	19.2
81.03418	100.0
81.07053	28.1
83.04982	9.8
83.08615	19.6
85.02905	31.4
85.06551	2.5
91.05482	21.8
93.07049	15.6
95.04962	33.2
95.08599	8.8
97.02870	3.9
97.06551	2.4
97.10136	1.8
105.07038	25.7
107.04958	10.5
107.08584	6.0
109.06516	5.2
109.10139	4.4
111.04417	3.7
111.08102	11.6
113.05981	3.2
117.07008	4.1
119.08588	17.0
121.06483	2.9
121.10106	9.3
123.08055	1.9
123.11665	2.1
129.07033	13.0
131.08574	12.1
133.06534	7.4
133.10175	8.1
135.08075	1.9
135.11705	2.6
137.06059	2.2
142.07803	2.9
143.08562	2.7
145.10120	2.9
147.08049	4.3
147.11685	16.9
149.09651	4.1
157.10150	16.1
159.11684	1.7
161.05934	7.3
165.05574	3.0
165.07045	3.8
165.12770	4.2
169.10139	1.6
175.11192	16.2
191.03487	1.9
191.07007	9.9
193.06477	2.0
193.12241	61.9
199.14722	3.4
210.06821	2.5
211.13264	25.1
221.05901	1.8
225.09044	4.7
253.08580	5.9
267.15903	6.9
285.07617	5.8
285.11209	8.7
285.16901	16.7
285.22092	6.0
307.00290	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56762	1.6
53.03953	4.1
53.78123	1.7
55.01870	2.5
55.05508	8.2
56.89764	1.5
57.03436	11.2
67.05507	16.0
69.03435	1.9
69.07079	5.2
69.60124	12.3
70.04176	1.5
71.04998	3.8
79.05493	14.4
81.03418	100.0
81.07066	17.0
83.04996	7.5
83.08622	23.9
85.02906	15.3
91.05487	19.0
92.77416	1.5
93.07037	12.7
95.04969	27.0
95.08614	5.8
97.02909	2.6
105.07025	15.6
107.04964	6.8
107.08590	4.3
109.06516	1.6
109.10183	3.1
111.08083	10.7
113.06030	2.5
115.05563	1.8
119.08591	11.8
121.06538	2.7
121.10169	5.3
123.08090	3.0
129.07024	6.1
131.08592	6.6
133.06502	2.6
133.10152	6.1
142.07806	3.5
146.75972	1.9
147.08075	2.1
147.11699	8.4
149.09634	4.2
157.10126	10.0
165.12842	2.4
175.11191	16.0
177.49263	1.8
193.12253	51.6
211.13275	10.8
267.15805	8.3
267.71854	1.6
285.16977	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01861	4.9
55.05509	27.7
56.96574	2.1
57.03435	50.8
59.04999	2.5
63.00041	2.1
64.75839	1.3
65.03931	2.1
67.05501	50.7
67.06323	1.4
69.03414	5.4
69.07064	14.3
70.93102	3.5
70.93453	2.0
71.04987	9.7
79.05491	45.7
81.03419	100.0
81.07056	55.7
81.07468	1.1
83.04978	19.8
83.08612	34.5
83.09108	2.0
84.04503	5.0
85.02904	68.9
85.06536	3.1
87.04456	2.4
91.05479	54.9
93.07043	29.5
95.04968	47.7
95.08606	21.7
97.02895	3.9
97.06535	9.8
97.10155	3.7
98.98497	1.6
99.08101	2.1
101.99344	1.5
103.05456	1.7
105.07037	37.3
106.06540	3.5
107.04955	10.0
107.08588	15.6
109.02812	1.7
109.06498	7.9
109.10135	9.2
111.04454	3.4
111.08086	19.0
113.06000	4.1
115.05421	3.2
117.06988	4.7
117.75089	1.3
119.04961	1.4
119.08587	32.9
121.06489	5.5
121.10133	15.4
121.98322	1.5
123.08041	4.3
123.11694	6.0
125.09591	3.0
129.06996	13.5
131.08585	17.8
133.06516	4.1
133.10147	16.7
135.08043	2.4
135.11703	3.0
137.05971	2.1
137.09619	3.2
142.07759	4.8
143.08559	1.9
145.10106	4.0
147.08098	4.3
147.11684	27.4
149.09633	7.2
151.11259	1.6
153.06767	1.6
157.10115	22.3
161.05981	4.9
163.11183	3.1
165.07011	6.7
165.12759	5.9
171.11696	1.9
173.13252	1.7
175.11182	24.6
193.06451	4.1
193.12250	69.3
194.12578	1.7
199.14897	3.3
210.06758	4.7
211.13290	35.4
221.06017	3.7
225.09093	12.0
253.08611	15.5
259.08710	1.9
261.18484	1.5
267.15884	4.5
285.04205	2.1
285.07846	2.7
285.11353	9.5
285.16910	33.1
285.22076	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	4.7
55.01851	5.8
55.05509	36.5
56.96553	7.2
57.03432	38.1
57.07082	4.3
63.00044	3.4
65.03929	5.8
67.05505	41.2
69.03429	7.0
69.07073	20.8
70.65965	6.1
71.04972	11.4
79.05491	44.8
81.03415	100.0
81.07060	59.2
82.03696	2.9
83.04977	25.2
83.08615	37.2
85.02901	54.7
85.06526	5.4
91.05477	52.4
93.07046	29.7
95.04975	48.6
95.08590	21.4
97.02891	9.8
97.06515	6.7
97.10191	4.1
98.21382	3.7
98.98459	4.0
105.07031	45.2
107.04955	36.5
107.08601	26.7
109.06518	14.7
109.10145	9.7
111.04465	3.7
111.08076	12.4
113.05973	3.6
116.98598	4.3
117.07030	4.8
119.08581	37.2
121.06503	6.8
121.10125	19.2
123.08076	4.7
123.11720	4.9
125.09576	3.9
126.70803	2.7
129.06998	15.3
131.08569	18.4
131.09406	2.7
133.03406	3.3
133.06482	49.6
133.10118	17.4
135.08076	3.6
135.11690	3.8
137.09586	5.5
145.10088	7.2
147.08043	6.6
147.11699	37.1
149.01164	4.0
149.09624	11.5
151.11101	4.0
157.10110	15.7
161.02879	3.3
163.11157	3.2
165.12798	5.3
175.11206	24.4
181.04988	4.9
193.12247	81.4
204.11815	3.3
211.13297	46.3
251.52998	3.1
267.15845	4.7
284.62915	6.1
285.07837	3.4
285.11255	5.7
285.17010	24.0
285.18365	20.1
285.26831	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01876	5.8
55.05508	25.9
57.03432	39.5
59.05029	1.7
63.00063	2.6
65.03947	2.6
67.05503	36.1
69.03429	7.0
69.07060	11.9
69.32821	6.1
69.33237	10.5
71.05003	10.9
71.36593	1.3
79.05496	31.6
81.03415	100.0
81.07058	47.1
83.04975	14.7
83.08617	37.3
85.02906	67.6
85.03427	2.1
85.06571	3.9
87.25728	1.4
91.05476	39.5
91.06009	2.7
93.07043	25.8
93.94777	1.5
95.04965	39.6
95.05546	2.3
95.08597	17.4
97.02914	6.0
97.06542	5.6
97.10184	4.5
105.07027	42.6
107.04955	32.8
107.05613	2.4
107.08591	17.8
109.06544	6.7
109.10185	5.0
111.04483	3.8
111.08084	20.7
113.06018	6.0
114.83535	1.6
115.05454	3.6
117.07069	2.5
119.08583	26.3
121.06540	6.1
121.10135	13.4
123.04391	2.2
123.08089	4.5
123.11735	5.8
125.06011	2.0
129.07022	11.6
131.08549	14.5
133.06499	40.4
133.07451	3.2
133.10123	14.2
137.06004	9.6
137.09624	2.8
137.13333	1.8
142.07816	3.8
145.10126	3.2
147.08076	6.5
147.11693	33.6
147.12808	3.0
149.09651	8.7
151.11217	2.4
157.10103	20.2
160.35748	1.8
161.06009	9.3
165.12778	9.5
175.11192	24.6
175.23392	1.5
193.12236	82.6
194.12509	1.6
211.11395	2.2
211.13275	56.6
211.15265	2.9
229.14275	3.7
253.08659	3.5
267.15778	3.6
285.07620	2.9
285.11349	1.9
285.17093	23.8
285.18314	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57498	0.7
53.03923	1.7
55.01871	2.2
55.05261	1.4
55.05511	17.0
56.96569	0.9
57.03438	21.9
57.07071	1.7
59.05002	0.9
65.03925	1.4
67.05503	32.4
69.07066	20.9
70.25835	2.4
71.04994	8.8
79.05496	21.1
79.05964	1.0
81.03413	3.1
81.07055	100.0
83.04984	9.4
83.08615	10.4
85.02890	1.4
85.06548	7.1
87.04462	1.3
91.05479	28.6
92.73259	0.7
93.07043	14.5
95.04974	4.7
95.08601	20.1
97.06526	7.5
97.10136	0.8
98.20886	0.8
99.08079	4.1
101.06012	2.0
105.07030	40.1
107.04940	2.1
107.08602	12.7
109.06516	6.8
109.10162	2.3
111.08081	2.0
112.01975	0.7
113.06016	1.5
114.72556	0.7
115.05395	0.8
115.86043	0.6
116.98592	1.2
117.06973	1.1
119.08578	27.2
121.06464	1.1
121.09318	1.3
121.10140	20.6
123.08071	5.5
123.11710	29.2
126.58496	0.8
127.07552	3.2
129.07021	2.3
131.08531	1.6
133.06444	2.0
133.10107	2.8
137.09557	0.8
137.13275	2.6
141.09108	1.6
142.07774	1.9
143.08508	1.1
145.10081	2.3
147.11682	71.2
149.09604	1.5
157.10133	3.7
159.11642	1.1
161.05980	3.3
165.06995	1.7
165.12753	31.5
173.13266	0.9
175.11177	3.1
183.13773	2.7
187.14745	0.9
191.06964	1.3
193.06496	1.4
193.12199	2.6
199.14873	1.0
210.06744	0.9
211.13171	1.0
221.05969	1.5
225.09076	2.7
229.14291	3.4
238.06363	1.0
253.08621	5.4
267.15857	2.8
285.11264	2.4
285.16907	24.4
285.22134	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01865	3.3
55.05515	18.5
57.03434	27.2
57.07068	1.3
60.28596	1.2
63.00008	1.5
65.03931	2.7
67.05507	38.8
69.03429	1.8
69.06722	1.7
69.07068	21.4
70.17482	2.4
70.17884	2.6
71.04994	7.6
79.05495	31.8
81.03413	9.8
81.07059	100.0
83.04977	10.8
83.08625	11.5
85.02887	5.1
85.06554	6.4
87.04440	1.8
91.05481	36.3
93.07048	19.4
95.04972	17.6
95.08607	25.4
97.02831	1.6
97.06532	8.5
97.10142	1.5
99.08086	5.4
101.06039	1.8
105.07033	40.8
107.04958	3.7
107.08607	17.1
109.06513	9.5
109.10141	5.0
111.04404	2.0
111.08099	3.0
113.05996	2.2
117.06985	2.6
119.08583	31.0
121.06503	1.2
121.10161	17.3
123.08048	6.9
123.11710	27.1
125.09589	2.1
127.07566	3.4
129.07007	5.8
131.08569	4.4
133.06503	3.5
133.10133	8.4
135.04422	1.2
135.08038	2.1
135.11725	1.9
137.09613	1.4
137.13229	3.9
140.59961	1.2
141.09120	1.4
145.10092	3.0
147.11690	70.4
149.09630	2.4
151.11206	2.3
157.10130	6.2
159.11688	1.8
161.05978	3.5
165.12756	33.0
173.83511	1.4
175.11200	7.5
183.13747	3.2
191.06952	2.9
193.12282	10.6
200.54860	1.2
210.06854	1.7
211.13263	4.1
224.34521	1.4
225.09129	4.0
229.14326	4.9
239.47644	1.3
241.26215	1.4
243.06430	1.3
253.08562	7.3
267.15891	3.5
267.20987	1.6
285.11313	5.9
285.16913	30.5
285.21887	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17382	1.5
53.03936	5.4
53.23897	1.7
55.01856	3.3
55.05513	13.1
57.03433	19.9
57.22927	1.7
60.51431	1.7
62.60741	1.7
67.05183	1.7
67.05506	25.7
69.03412	3.2
69.07056	6.3
70.14082	6.9
71.04978	3.8
79.05488	20.1
81.03416	100.0
81.07054	37.1
83.04964	7.7
83.08611	19.7
85.02908	21.7
89.16783	1.5
91.05476	28.5
93.07049	14.1
95.04959	32.0
95.08593	7.6
97.02906	2.9
97.06505	3.7
105.07024	24.0
107.04939	6.6
107.08585	7.2
109.06478	4.0
109.10184	2.3
111.04386	2.0
111.08102	11.2
113.06037	2.8
115.05470	1.8
119.08598	18.2
121.06481	1.8
121.10147	10.1
123.08047	3.5
123.11697	6.0
129.07001	13.1
131.08577	9.7
133.06528	5.2
133.10146	5.8
137.09624	2.4
145.10114	2.5
147.08034	4.0
147.11682	21.4
149.09619	4.4
157.10118	15.5
165.12753	7.7
175.11234	13.0
178.09749	1.7
187.46629	1.6
191.07182	2.0
193.12234	46.2
211.13289	14.4
213.57504	1.8
225.09027	1.8
229.14340	3.0
235.53979	1.5
267.15909	8.8
275.04132	1.8
285.11298	3.0
285.16928	13.7
285.22079	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08609	2.0
53.03940	5.8
53.04182	2.1
55.01858	4.2
55.05504	28.7
57.03435	51.9
58.77724	2.0
65.03947	2.8
67.05503	44.0
69.03429	5.2
69.07059	12.3
70.19819	5.2
70.20212	6.1
71.04999	15.1
71.18284	2.0
79.05494	46.1
81.03418	100.0
81.06581	3.9
81.07058	63.4
83.04982	19.5
83.08621	33.9
83.20052	2.5
84.04507	3.5
85.02905	82.8
85.06551	4.7
91.05482	59.2
93.07043	36.6
95.04974	48.2
95.08601	24.9
97.02924	6.0
97.06526	10.7
97.10117	2.8
98.20848	2.9
98.99050	2.2
99.08089	2.7
105.07032	47.2
107.04955	12.1
107.08598	13.3
108.52818	2.1
109.06501	12.1
109.10158	7.1
111.04466	4.1
111.08093	16.8
113.05997	5.9
115.05497	3.7
117.07057	3.6
118.45679	2.1
119.08592	40.5
121.10146	19.3
123.08098	5.3
123.11709	4.6
127.07538	2.9
128.06232	3.1
129.07005	16.3
131.08577	19.0
133.06503	9.3
133.10127	20.5
142.07762	4.9
145.10129	6.1
147.08038	3.6
147.11705	29.2
149.09641	9.2
151.11139	2.6
157.10129	26.0
161.05968	6.3
161.09691	3.1
165.06981	5.1
165.12738	8.9
169.10141	2.7
173.13176	3.2
175.11183	32.8
191.07098	3.0
193.06450	2.7
193.12248	79.5
197.27083	2.4
199.14847	4.5
210.06789	3.6
211.13275	48.6
211.15248	3.4
221.05933	2.7
225.09203	6.4
253.08620	10.2
267.15961	3.0
285.08044	3.3
285.11182	8.8
285.16913	41.6
285.22128	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06177	0.8
53.03936	2.5
55.01852	3.5
55.05506	10.0
56.96573	1.8
57.03436	16.4
63.00024	1.0
63.46124	0.9
65.03934	2.8
66.97769	0.8
67.01860	12.3
67.05166	1.4
67.05502	15.9
69.03415	3.5
69.07072	4.9
71.04988	5.3
73.08791	0.9
79.05489	18.0
81.03411	36.1
81.06577	1.4
81.07052	24.3
83.01360	1.1
83.04968	6.9
83.08208	1.0
83.08624	10.6
85.02905	27.9
85.06527	1.6
91.04905	1.0
91.05477	18.0
92.06251	2.9
93.03378	4.3
93.07043	9.8
95.04965	16.5
95.08596	7.4
97.02868	2.5
97.06524	3.6
97.10103	1.2
98.98471	1.7
99.08084	1.4
103.05457	3.1
105.07028	34.0
107.04954	24.9
107.08582	4.5
109.06501	3.4
109.10173	2.7
111.04418	1.2
111.08084	6.7
113.06020	2.2
115.05446	3.4
117.07010	3.0
119.04932	1.9
119.08585	10.9
120.05694	4.5
121.06468	1.6
121.10138	5.9
122.03615	2.0
123.08059	1.7
123.11686	3.2
125.09577	1.3
128.06239	1.1
129.07021	5.7
131.04916	2.1
131.08575	6.0
133.06487	33.5
133.10092	4.4
135.04410	3.8
135.08025	1.8
137.05917	4.8
145.06514	1.4
145.10094	1.7
147.04440	1.3
147.08070	1.2
147.11673	12.4
148.05194	1.5
149.09622	3.2
151.03859	1.3
157.06465	1.8
157.10120	8.1
159.08018	1.8
161.05977	87.6
162.06334	1.5
163.07497	2.9
165.05473	36.6
165.12737	3.7
175.11176	9.7
176.04707	4.5
179.08514	1.6
181.06424	2.0
182.07173	1.1
183.07893	1.4
191.07019	100.0
192.07330	1.2
193.12236	32.4
196.08847	1.3
211.11153	2.2
211.13237	19.5
224.08034	1.1
225.09084	1.3
234.37552	0.8
239.10551	1.2
253.08546	2.5
267.15732	1.9
269.08133	1.8
285.04361	1.1
285.07925	1.3
285.11191	34.3
285.16748	13.8
285.29678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	4.7
55.01851	5.8
55.05509	36.5
56.96553	7.2
57.03432	38.1
57.07082	4.3
63.00044	3.4
65.03929	5.8
67.05505	41.2
69.03429	7.0
69.07073	20.8
70.65965	6.1
71.04972	11.4
79.05491	44.8
81.03415	100.0
81.07060	59.2
82.03696	2.9
83.04977	25.2
83.08615	37.2
85.02901	54.7
85.06526	5.4
91.05477	52.4
93.07046	29.7
95.04975	48.6
95.08590	21.4
97.02891	9.8
97.06515	6.7
97.10191	4.1
98.21382	3.7
98.98459	4.0
105.07031	45.2
107.04955	36.5
107.08601	26.7
109.06518	14.7
109.10145	9.7
111.04465	3.7
111.08076	12.4
113.05973	3.6
116.98598	4.3
117.07030	4.8
119.08581	37.2
121.06503	6.8
121.10125	19.2
123.08076	4.7
123.11720	4.9
125.09576	3.9
126.70803	2.7
129.06998	15.3
131.08569	18.4
131.09406	2.7
133.03406	3.3
133.06482	49.6
133.10118	17.4
135.08076	3.6
135.11690	3.8
137.09586	5.5
145.10088	7.2
147.08043	6.6
147.11699	37.1
149.01164	4.0
149.09624	11.5
151.11101	4.0
157.10110	15.7
161.02879	3.3
163.11157	3.2
165.12798	5.3
175.11206	24.4
181.04988	4.9
193.12247	81.4
204.11815	3.3
211.13297	46.3
251.52998	3.1
267.15845	4.7
284.62915	6.1
285.07837	3.4
285.11255	5.7
285.17010	24.0
285.18365	20.1
285.26831	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	285.112
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.03942	2.3
55.01862	3.5
55.05502	3.6
56.96565	2.3
57.03431	2.8
57.07077	1.2
61.82158	0.9
63.00049	1.9
65.03939	2.9
67.01867	2.8
67.05502	8.9
69.03420	1.7
69.07072	5.9
71.04991	1.8
71.58694	1.2
79.05492	9.6
81.03410	8.3
81.07063	12.4
83.01350	1.6
83.04996	1.5
83.08630	2.8
85.02869	1.8
85.06587	1.1
91.05483	12.9
92.06277	3.5
93.03403	4.1
93.07035	4.9
94.04207	1.1
95.04974	8.1
95.08607	7.4
97.06541	1.9
98.97568	1.2
98.98436	1.4
103.05483	4.5
105.07030	27.9
107.04952	13.4
107.08606	5.9
109.06512	3.4
109.10158	2.2
109.30216	1.0
111.08073	1.5
115.05456	4.5
116.98645	1.4
117.07027	2.4
119.04929	1.5
119.08579	7.1
120.05726	3.8
121.10175	5.8
123.04475	1.1
123.11733	3.4
129.06996	2.2
131.04904	1.7
131.08540	2.4
133.06494	39.2
133.10132	2.9
135.04387	2.0
135.08057	1.9
135.11787	1.5
137.06010	2.3
137.09502	1.2
143.08548	4.1
145.06396	1.9
145.10130	3.3
146.03581	1.6
147.08148	1.2
147.11679	8.9
148.05202	2.6
155.08519	1.3
157.06494	2.0
157.10173	2.7
159.11731	2.6
160.97708	1.4
161.05980	82.3
163.07573	4.3
165.05501	8.4
165.07016	6.4
165.12726	2.2
173.05965	1.6
175.11154	2.8
176.04732	3.7
179.08618	1.7
181.06483	3.1
182.07304	2.6
183.07977	1.7
183.11658	1.1
185.06100	1.1
190.05157	1.1
191.07036	100.0
193.06544	3.1
193.12254	6.0
197.05948	1.4
199.14777	2.3
210.06740	5.1
211.07457	1.6
211.11380	2.0
221.06004	5.1
225.09079	9.7
229.14348	1.3
239.06947	1.5
239.10626	1.8
243.11101	1.3
252.36047	1.2
253.08623	13.4
254.09215	1.8
267.21146	1.3
269.08057	1.7
270.08749	1.4
284.29639	1.5
285.11240	38.3
285.17352	1.7
285.18805	2.1
285.21930	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	285.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58408	0.7
53.03942	1.0
55.05522	1.7
56.96547	0.8
57.03419	1.1
57.07037	0.8
61.59956	0.7
65.03925	2.8
67.05502	4.0
69.07062	2.2
69.30882	8.3
70.49677	0.8
79.05477	3.2
81.03401	0.8
81.07051	5.0
89.03893	0.8
91.05485	43.1
93.07040	3.7
95.04972	2.2
95.08597	2.6
105.07049	5.9
106.04168	0.8
107.04969	9.0
107.08587	3.2
107.65040	0.7
109.06514	1.1
109.10174	1.1
115.05405	0.8
119.04949	31.7
119.08573	2.0
120.05338	1.0
121.06508	2.2
121.10131	1.3
123.04440	3.9
123.08068	1.1
129.06996	0.9
131.08533	1.2
133.06494	17.4
145.06384	1.1
145.10190	0.8
147.04414	0.8
147.07959	0.8
147.11702	3.9
149.05984	100.0
150.06306	1.7
156.36003	0.7
157.10110	1.2
161.06001	1.6
163.07541	2.9
165.12782	1.2
191.14291	1.4
211.11211	1.1
223.57666	0.8
267.17459	1.1
285.11349	4.5
285.18567	11.5
285.29730	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	285.1119
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	1.4
55.05484	0.8
56.32047	0.4
56.96559	0.5
57.03421	1.4
65.03932	1.8
67.01866	8.4
67.05493	1.3
69.03421	1.0
69.83395	2.5
71.04970	0.7
79.05490	5.3
81.03423	3.2
81.07042	2.1
83.01331	1.2
83.04976	1.0
83.08643	0.6
85.02901	1.2
86.50416	0.5
91.05479	4.1
92.06258	2.0
93.03410	3.3
93.07033	0.9
95.04962	2.1
103.05453	2.6
105.03373	0.7
105.07026	18.3
107.04957	19.2
107.08630	0.7
109.06515	1.3
109.10130	0.5
115.05467	2.7
117.07008	1.1
117.68893	0.4
119.04927	1.2
119.08654	0.6
120.05727	3.4
121.02789	0.6
121.06482	0.8
122.03618	1.6
131.04926	1.3
133.06490	30.3
133.10075	0.5
135.04391	3.1
135.08014	1.0
137.05940	3.5
141.06961	0.6
143.04889	0.5
145.06506	1.2
147.11789	0.7
148.05183	1.7
148.56070	0.5
157.06488	1.7
157.10121	1.0
159.08006	0.5
161.05977	75.5
162.06299	1.3
163.07535	3.1
165.05473	30.8
165.12698	0.5
175.11244	0.6
176.04742	2.9
178.07841	1.0
179.08566	1.0
181.06459	1.4
182.07298	1.3
183.08051	0.6
185.51976	0.5
191.07025	100.0
192.07372	0.9
193.12267	2.6
196.08894	1.1
197.09546	0.6
210.06752	0.7
211.07570	0.7
211.11153	1.6
211.13242	1.2
217.76625	0.5
224.08327	0.7
225.09111	1.4
227.06906	0.5
239.10661	1.3
253.08577	1.9
267.10135	0.8
269.08066	0.8
285.11203	34.9
285.16440	0.9
286.11481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01862	3.5
55.05502	3.6
56.96565	2.3
57.03431	2.8
57.07077	1.2
61.82158	0.9
63.00049	1.9
65.03939	2.9
67.01867	2.8
67.05502	8.9
69.03420	1.7
69.07072	5.9
71.04991	1.8
71.58694	1.2
79.05492	9.6
81.03410	8.3
81.07063	12.4
83.01350	1.6
83.04996	1.5
83.08630	2.8
85.02869	1.8
85.06587	1.1
91.05483	12.9
92.06277	3.5
93.03403	4.1
93.07035	4.9
94.04207	1.1
95.04974	8.1
95.08607	7.4
97.06541	1.9
98.97568	1.2
98.98436	1.4
103.05483	4.5
105.07030	27.9
107.04952	13.4
107.08606	5.9
109.06512	3.4
109.10158	2.2
109.30216	1.0
111.08073	1.5
115.05456	4.5
116.98645	1.4
117.07027	2.4
119.04929	1.5
119.08579	7.1
120.05726	3.8
121.10175	5.8
123.04475	1.1
123.11733	3.4
129.06996	2.2
131.04904	1.7
131.08540	2.4
133.06494	39.2
133.10132	2.9
135.04387	2.0
135.08057	1.9
135.11787	1.5
137.06010	2.3
137.09502	1.2
143.08548	4.1
145.06396	1.9
145.10130	3.3
146.03581	1.6
147.08148	1.2
147.11679	8.9
148.05202	2.6
155.08519	1.3
157.06494	2.0
157.10173	2.7
159.11731	2.6
160.97708	1.4
161.05980	82.3
163.07573	4.3
165.05501	8.4
165.07016	6.4
165.12726	2.2
173.05965	1.6
175.11154	2.8
176.04732	3.7
179.08618	1.7
181.06483	3.1
182.07304	2.6
183.07977	1.7
183.11658	1.1
185.06100	1.1
190.05157	1.1
191.07036	100.0
193.06544	3.1
193.12254	6.0
197.05948	1.4
199.14777	2.3
210.06740	5.1
211.07457	1.6
211.11380	2.0
221.06004	5.1
225.09079	9.7
229.14348	1.3
239.06947	1.5
239.10626	1.8
243.11101	1.3
252.36047	1.2
253.08623	13.4
254.09215	1.8
267.21146	1.3
269.08057	1.7
270.08749	1.4
284.29639	1.5
285.11240	38.3
285.17352	1.7
285.18805	2.1
285.21930	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01860	2.3
55.05510	18.3
57.03431	8.5
57.07080	6.4
59.04995	7.9
63.00045	1.3
65.03935	1.7
67.05502	43.5
69.03420	8.8
69.07065	21.6
69.95732	7.1
71.04990	10.9
76.03999	4.2
79.05065	2.2
79.05493	29.3
81.03393	1.8
81.06585	2.4
81.07055	38.5
83.04974	4.7
83.08606	6.7
84.04497	1.9
85.02895	2.0
85.06512	2.9
86.05577	2.0
86.06063	27.1
87.04466	47.3
91.05475	13.6
93.07037	34.6
95.04956	5.9
95.08603	46.0
96.08912	2.0
97.02959	1.6
97.06525	4.5
97.10170	5.8
98.97615	1.8
98.98416	2.5
99.06994	1.1
104.07101	75.8
105.07017	7.9
107.04947	5.7
107.08593	41.1
108.05268	2.5
109.06458	1.7
109.10161	16.3
111.08040	4.3
117.07017	1.4
119.08570	2.4
121.06528	1.6
121.10142	16.3
122.06756	1.2
123.11691	6.6
125.09638	4.1
127.03955	1.6
131.08495	1.7
133.06480	5.6
134.06830	2.5
135.11676	3.9
137.13237	6.5
139.11177	6.3
144.28276	1.3
145.06500	1.2
147.11687	2.0
148.08456	1.6
159.78470	1.4
161.05893	3.4
163.14813	10.3
165.07027	3.4
181.15877	11.2
190.06213	1.6
191.02263	1.3
191.06992	1.4
197.06097	1.3
221.06053	1.6
225.09033	3.5
253.08517	5.7
284.06381	1.3
284.17508	3.2
284.22192	100.0
284.29065	7.1
285.03802	1.7
285.07608	3.4
285.11386	4.2
285.22400	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	284.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05512	1.7
57.03419	0.4
67.05515	1.6
69.03414	0.4
69.07066	1.6
69.65019	0.3
69.65367	2.3
70.02953	3.0
70.06569	0.9
71.75056	0.3
72.02702	0.3
72.04506	0.8
79.05487	3.5
80.81693	0.3
81.03407	1.2
81.07049	3.1
82.06556	1.2
83.08609	1.1
84.08156	0.5
86.09711	0.5
88.03977	0.8
88.07692	0.4
91.05450	1.3
93.07040	5.3
94.06555	1.0
95.04939	0.8
95.08604	3.0
96.08131	0.7
97.02863	0.5
98.06042	0.7
98.21483	0.5
105.07004	1.2
107.08597	3.7
108.08115	9.8
108.08855	0.5
109.02858	0.4
109.08904	0.8
109.10132	0.9
110.09687	1.2
112.07558	0.5
114.07375	0.3
116.03451	0.7
118.05025	0.7
119.08564	0.7
120.08070	0.4
121.10117	0.7
122.09665	9.0
123.10444	1.1
123.11658	0.5
124.11214	0.5
133.10095	0.4
134.09628	0.8
135.11681	4.3
136.11194	3.1
137.13185	0.5
139.07483	0.4
140.10716	1.0
148.11208	0.7
150.12775	12.3
151.13570	6.3
151.14749	0.3
152.10672	0.6
153.12714	0.6
156.06593	0.4
161.13242	0.4
163.11148	0.6
164.14369	1.9
166.12294	1.0
166.15842	1.2
168.06531	1.2
172.09662	0.6
176.14349	0.5
178.15915	4.8
180.10165	1.2
184.09680	0.4
186.11247	1.4
194.15392	3.3
196.09689	1.2
198.11226	0.7
208.13213	0.4
210.11172	2.4
210.14905	3.6
211.12068	0.5
212.16399	0.4
224.71173	0.3
238.14230	0.7
238.18019	0.4
240.15938	100.0
241.16290	1.4
242.17526	5.7
284.18549	43.0
284.29471	1.1
285.18738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
60.35302	0.4
63.91719	0.4
64.14056	0.4
66.31519	0.4
66.82148	0.4
67.05484	1.8
69.07047	1.4
69.77374	2.6
70.02938	2.3
78.32702	0.4
79.05480	2.9
80.05010	0.6
80.16348	0.5
81.03414	0.7
81.07053	2.5
82.06561	1.0
83.08636	0.7
84.08146	0.5
86.76014	0.4
88.03970	0.8
91.05473	0.7
93.07038	5.3
94.06564	0.6
95.08589	1.7
98.06030	0.4
105.07021	0.9
107.08622	3.0
108.08112	9.0
109.08885	1.0
109.10155	0.8
110.09666	1.9
111.08067	0.8
116.03419	0.6
118.04980	0.9
119.08554	0.9
121.10150	0.5
122.09664	9.0
123.10436	1.5
133.10095	0.5
134.09677	0.5
135.11707	4.2
136.11205	2.8
137.13220	0.8
140.10707	0.6
147.56671	0.4
150.11633	0.7
150.12791	11.5
151.13556	7.1
152.10663	0.6
153.15080	0.6
160.06024	0.4
164.14349	1.5
166.12289	1.4
166.15898	1.0
168.06578	1.0
176.14291	0.7
178.15895	4.6
180.10143	0.8
186.11237	1.6
194.15404	3.6
196.09720	1.1
198.11154	0.5
208.13402	0.5
210.11205	2.0
210.14882	2.7
222.14879	0.7
238.14366	0.8
240.15941	100.0
241.16293	1.8
242.17506	5.6
270.13846	0.4
284.06647	0.9
284.18558	48.1
285.18808	0.9
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	Crotonoside
Peak:m/z	Relative Intensity
50.93853	0.2
55.01865	0.3
56.96560	0.5
57.03431	0.3
68.18945	0.2
69.03421	0.5
70.06551	0.3
70.73789	0.6
70.74155	0.5
76.85896	0.2
77.28046	0.2
98.97617	0.3
102.65598	0.3
109.05138	0.6
110.03512	2.4
110.08214	0.2
124.19627	0.3
128.04576	1.5
130.66185	0.3
135.03030	3.7
135.57884	0.3
136.06143	0.9
145.44368	0.2
152.05670	100.0
153.04074	10.5
153.05411	0.3
153.06062	0.8
201.22684	0.2
207.43315	0.3
248.44998	0.3
284.29398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	all-trans-Dehydroretinal
Peak:m/z	Relative Intensity
53.03935	4.9
55.01865	10.4
55.05514	22.5
55.98741	2.8
56.15703	2.5
56.96561	6.4
57.03434	10.9
57.07077	6.9
63.17894	2.9
65.62471	2.4
67.05509	29.9
69.03423	9.5
69.07075	21.5
71.01360	6.5
71.04990	7.7
71.58662	2.9
79.05498	41.9
80.05862	2.7
81.03423	8.6
81.07059	39.8
83.05000	22.9
83.08611	14.2
85.02918	2.8
85.06535	3.2
91.05481	29.0
93.07052	60.9
95.04987	14.1
95.08611	33.6
97.02892	12.8
97.06525	12.5
97.10184	2.8
103.05478	5.4
105.07033	60.7
107.04959	29.1
107.08598	38.8
109.06517	14.7
109.10159	18.5
111.04447	11.5
111.08062	4.9
115.05444	3.3
117.07034	9.6
119.08589	42.0
121.06525	11.2
121.10144	100.0
123.08087	9.6
123.11716	6.0
125.09682	3.9
128.06259	4.3
129.07014	7.1
130.07823	3.9
131.08578	29.7
131.53947	2.9
133.06511	25.1
133.10141	20.3
135.08067	9.8
135.11693	30.5
138.81680	2.9
142.07857	4.0
143.08585	18.5
145.06410	3.2
145.10138	47.4
147.04402	9.6
147.08116	4.8
147.11697	11.3
149.09634	5.1
151.11198	3.7
153.12773	17.5
155.08553	6.6
157.10107	14.1
158.10886	6.7
159.08096	4.6
159.11696	17.9
161.09616	21.9
161.13289	5.4
163.11182	33.8
164.11794	2.5
169.10139	4.7
171.11713	11.8
173.09608	8.5
173.13257	39.4
175.11247	7.8
175.14867	5.1
177.12729	5.9
179.08627	5.7
181.10129	7.2
181.12300	14.4
183.11694	6.1
185.09654	2.8
185.13295	7.8
187.11191	3.9
187.14864	7.6
189.12726	4.4
191.10672	6.6
195.11717	6.8
197.13208	7.8
199.11292	3.6
199.14824	5.8
201.12837	3.0
201.16451	4.1
202.91737	2.8
208.12465	3.9
209.11670	7.7
209.13397	13.5
213.12854	3.9
213.16357	5.7
223.14848	5.4
225.16377	4.8
227.12631	21.8
227.14717	4.3
255.21098	6.1
265.19543	21.2
283.10001	3.5
283.15295	16.9
283.20493	84.2
283.23505	6.2
283.28320	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	283.169
Annotation	3,4'-Dihydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
53.03940	1.8
55.01880	3.1
55.02120	0.6
55.05513	3.4
56.96557	2.2
57.03428	1.7
65.03926	0.9
67.05505	6.5
69.03439	0.8
69.07068	4.0
69.07898	0.7
69.69355	1.5
69.69772	2.7
71.01334	1.6
73.15917	0.6
77.03876	0.7
79.05499	8.5
81.03409	2.7
81.07054	4.9
83.04984	3.0
83.08617	1.2
83.21232	0.6
85.38513	0.5
89.23338	0.5
91.05482	5.2
93.07041	7.3
94.91036	0.8
95.04996	3.1
95.08573	3.8
97.02874	3.4
97.06527	2.1
97.10166	0.7
98.97594	0.8
103.05450	1.6
105.07029	27.5
107.04954	100.0
107.08591	4.5
108.05321	1.1
109.10165	1.7
111.04424	2.0
115.05440	1.4
116.98639	0.8
117.07012	2.2
119.08598	3.6
121.06510	2.2
121.10146	2.4
123.08082	1.1
125.09679	1.0
129.07007	1.6
131.04922	0.9
131.08569	2.4
133.06493	93.8
133.10103	3.2
134.06795	0.8
135.11678	4.4
137.09633	1.4
143.08569	2.1
145.06462	1.8
145.10133	5.2
147.04433	1.3
147.08043	1.0
149.01257	0.8
149.09575	0.6
151.11179	5.3
153.12769	2.1
155.08632	0.7
157.06508	2.5
159.08003	1.1
159.11703	2.6
163.11206	5.2
167.03407	3.1
171.08060	1.4
171.11688	1.7
173.09628	1.5
177.12773	4.0
181.12245	2.0
189.12718	3.9
191.10680	1.3
192.72813	0.7
203.10118	0.6
209.09618	3.4
209.11734	2.9
214.95964	0.7
223.11174	0.8
225.12764	0.7
227.10680	2.5
227.12823	3.3
265.15842	4.5
283.17075	20.2
284.12686	1.5
284.17285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01867	6.4
55.05509	13.1
57.03435	14.2
57.67385	0.8
62.79815	0.7
66.94118	1.0
67.05506	25.1
69.03427	1.6
69.07065	9.0
69.95303	4.8
71.04982	2.8
73.02924	2.1
77.03910	1.0
79.05490	41.5
80.93566	0.9
81.03425	4.4
81.07056	28.0
83.04968	5.9
83.08615	11.2
85.06551	1.0
91.05482	14.7
93.07042	53.8
95.04964	13.2
95.08604	50.4
97.02896	5.3
97.06541	5.4
97.10191	1.3
99.04450	6.3
103.05507	2.0
105.07033	11.1
107.04955	16.8
107.07870	2.0
107.08594	37.3
109.06534	3.2
109.10154	4.0
111.04452	2.6
111.08108	1.3
115.05406	0.9
117.07014	12.8
119.08582	12.4
121.02845	1.2
121.06510	8.3
121.10144	18.0
125.05959	4.2
129.06960	1.1
130.07811	3.3
131.08551	1.1
132.60384	1.0
133.06496	1.5
133.10141	2.7
135.08070	2.7
135.11691	61.9
136.12042	1.4
139.07553	2.9
143.08594	1.6
145.06412	1.2
145.10121	38.4
153.12785	1.6
155.08559	1.2
161.90990	1.1
163.11180	83.7
164.11511	1.6
173.09546	1.3
181.12230	18.7
204.49529	0.9
207.73347	1.0
209.11662	1.1
227.12778	100.0
228.13133	2.1
283.15338	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
54.07454	0.7
55.01867	6.3
55.05505	15.4
57.03436	15.3
57.07066	1.8
57.51339	0.7
59.58622	0.9
65.03927	2.0
67.05501	24.4
69.03425	2.6
69.07069	9.1
71.04989	4.6
71.11259	1.9
73.02890	2.8
77.23740	0.7
79.05491	36.0
81.03413	3.9
81.07059	25.7
83.04985	5.7
83.08616	9.8
85.06530	1.5
91.04960	1.3
91.05476	13.0
93.07040	53.3
94.07372	0.9
95.04956	12.5
95.08604	52.2
97.02885	6.8
97.06532	5.8
99.04453	5.9
103.05462	1.3
105.07019	10.6
107.04961	14.0
107.08594	37.0
109.06509	3.4
109.10150	3.8
111.04438	3.7
111.08066	1.3
115.05436	1.1
115.07542	0.8
117.07028	14.4
119.08571	13.0
121.06505	7.7
121.09309	1.3
121.10133	16.7
125.05997	3.8
129.07004	1.3
130.07794	2.4
131.08571	1.5
133.10149	3.8
135.08058	3.7
135.11691	59.8
136.12030	1.2
139.07535	3.2
143.08553	1.3
145.06506	1.5
145.10123	37.1
146.10452	0.9
153.12668	0.9
155.08519	1.2
163.11180	82.6
163.48358	0.7
164.11494	2.1
173.09618	2.9
181.12228	19.6
191.10655	0.8
209.11647	1.5
227.12778	100.0
228.13155	1.8
283.09778	1.1
283.15402	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
54.08935	1.4
55.01876	8.6
55.05506	18.2
56.63853	1.5
57.03433	19.1
58.60887	1.5
59.49213	1.4
61.19896	1.4
65.03949	2.6
67.05503	30.6
69.03410	3.2
69.07071	11.3
70.28964	6.3
71.04975	3.3
73.02892	2.8
79.05491	45.1
81.03413	5.5
81.07047	33.0
83.04967	8.1
83.08610	12.1
85.02924	2.5
91.05477	18.6
93.07038	59.0
95.04962	14.8
95.08605	56.4
96.54631	1.7
97.02900	9.0
97.06518	7.4
97.10148	1.5
99.04436	4.5
103.05471	1.5
105.07030	11.8
107.04941	16.8
107.08588	38.9
108.08931	1.9
109.06516	3.9
109.10158	4.0
111.04424	9.5
113.05999	3.3
117.07016	13.4
119.08578	18.0
121.02824	3.1
121.06476	10.1
121.10131	18.5
130.07716	2.0
131.04845	1.6
131.08556	3.3
131.47643	1.5
133.10141	5.4
135.08046	2.4
135.11685	60.5
136.11986	2.1
137.09648	1.7
139.07504	3.3
145.09038	3.4
145.10115	43.3
149.02318	2.4
163.11171	82.4
164.11488	2.2
167.03365	4.8
173.09583	3.4
177.22578	1.5
181.12215	18.5
191.10677	3.0
198.07298	1.6
202.07864	1.5
209.11720	22.6
227.12776	100.0
233.99469	1.7
239.18301	2.6
283.09518	3.4
283.15372	23.8
283.20505	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
54.16146	1.2
55.01884	7.2
55.05510	18.3
56.17437	1.2
56.96551	1.6
57.03437	17.0
57.07074	1.5
65.03933	2.4
65.39799	1.2
65.80167	1.1
67.05171	2.5
67.05505	31.6
69.03415	3.8
69.07063	12.4
70.84625	3.6
71.05002	5.7
72.08163	2.1
73.02898	1.8
79.05495	42.9
81.03423	3.9
81.07060	29.8
83.04967	10.4
83.08624	11.7
85.06522	2.6
88.17813	1.2
91.05482	15.3
93.07043	59.7
95.04972	13.0
95.08607	56.6
95.09226	1.3
96.06838	1.1
97.02888	6.0
97.06542	7.2
97.10199	2.6
99.04454	7.0
99.08056	1.6
105.07034	13.2
107.04955	18.9
107.08593	42.7
109.06529	4.3
109.10149	9.8
111.04447	4.8
111.08084	4.9
113.06023	1.5
113.09586	1.8
117.07013	15.2
119.08576	16.6
121.02823	2.9
121.06532	8.5
121.10143	18.8
123.08046	1.3
123.09663	1.3
125.05981	4.2
129.07043	1.5
130.07784	4.5
131.04938	1.6
131.08603	3.5
133.06479	3.5
133.10112	5.3
134.19241	1.2
135.08070	3.2
135.11693	65.3
139.07550	4.7
143.08563	2.7
145.10121	38.6
147.11707	2.1
149.09656	2.3
149.13293	3.9
150.31805	1.3
153.07005	1.5
153.12700	2.0
155.08595	2.6
159.11644	1.7
163.11189	92.0
173.09608	3.9
177.16420	1.8
178.05006	3.5
181.12244	19.2
191.10730	2.3
195.07996	1.8
209.11652	1.4
214.69263	1.5
227.12781	100.0
228.13104	2.1
247.16985	1.8
266.13675	2.1
283.09769	4.9
283.15430	21.1
283.20306	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01862	5.7
55.05511	20.3
57.03439	16.5
57.07058	2.1
62.61418	1.7
67.05500	28.6
69.07057	10.6
71.04997	4.8
72.55316	1.4
73.97298	1.6
79.05495	36.8
79.05952	2.5
81.03403	3.7
81.07056	30.2
83.04983	7.4
83.08610	13.4
91.05477	13.7
93.03468	1.5
93.07042	53.4
93.07631	3.0
95.04958	10.7
95.08601	55.1
97.02890	6.0
97.06533	4.4
99.04447	6.3
101.97891	1.5
103.05485	1.8
105.07018	13.2
107.04964	12.5
107.08592	40.6
109.06512	4.0
109.10170	5.8
111.04432	4.4
111.08078	2.7
117.07021	17.9
119.08564	15.0
121.06481	7.7
121.10136	20.5
125.05978	4.0
130.07748	2.8
131.08513	2.2
133.10118	4.6
135.08093	3.3
135.11684	74.1
136.12056	2.3
139.07553	3.5
143.08591	1.7
145.10132	35.4
153.12741	1.7
163.11179	95.7
164.11595	3.0
173.09631	1.9
179.08766	2.0
181.12213	18.3
183.11623	1.6
183.88229	1.8
191.10689	2.9
209.11687	2.0
227.12784	100.0
228.13348	2.1
262.08017	1.6
271.31183	1.9
283.15366	20.2
283.20471	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01870	8.2
55.05512	16.3
55.71111	1.5
57.03436	16.7
57.07050	1.8
59.75507	1.4
65.65850	1.5
67.05503	30.2
69.07068	14.6
71.04979	3.6
71.59340	2.0
71.59772	2.3
73.02921	1.8
77.67974	1.4
79.05070	3.1
79.05492	46.1
81.03403	3.7
81.07056	31.4
83.04971	10.9
83.08613	14.0
91.05476	16.2
93.07044	55.8
95.04975	14.7
95.08611	53.0
97.02876	6.8
97.06512	5.6
97.10136	1.7
99.04449	6.4
105.07030	12.0
107.04962	13.8
107.08585	38.7
109.06520	4.0
109.10128	5.3
111.04470	8.1
111.08083	3.3
113.05982	1.5
115.05479	2.1
117.07011	15.9
119.08582	14.8
121.06516	8.8
121.10139	24.4
123.08067	2.2
125.05971	3.7
128.06166	1.5
129.07021	2.0
130.07794	4.8
131.08546	3.7
133.10104	3.0
135.08049	3.3
135.11688	66.8
145.10127	42.0
147.08072	1.8
153.12718	4.9
155.08582	2.5
158.15546	1.6
163.11177	77.8
164.11552	1.9
168.51695	1.4
173.09595	6.2
181.12230	21.3
191.10640	5.1
192.09009	1.5
195.11597	1.6
209.11693	4.7
214.01883	1.4
220.08270	1.6
227.12779	100.0
283.15250	23.1
283.20490	3.6
283.26480	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	6.1
55.05504	16.1
57.03437	15.7
57.07064	3.3
61.23339	1.9
67.05499	28.5
67.88463	1.8
69.03438	2.3
69.07072	13.4
71.04984	5.8
71.59818	2.8
79.05486	42.2
80.27187	1.7
81.03409	5.6
81.07053	29.7
83.04970	7.6
83.08618	12.0
85.06516	2.1
89.06020	1.6
91.05471	17.8
93.06473	3.6
93.07041	56.7
95.04975	11.1
95.08600	56.3
97.02916	9.2
97.06516	5.9
97.10155	2.1
99.04443	7.1
99.08131	1.9
105.07033	14.4
107.04948	14.0
107.08592	33.1
109.06483	3.7
109.10152	3.9
111.04409	5.6
111.08073	2.8
117.07011	15.6
119.08557	13.3
121.06496	5.4
121.10147	18.8
125.06000	5.2
129.06996	2.7
130.07750	3.1
131.08615	2.6
133.10136	5.7
135.08017	2.6
135.11687	58.9
136.12016	2.1
139.07576	4.5
140.46896	1.7
145.10129	41.5
150.04401	2.3
153.12720	2.0
155.08565	2.6
161.94133	1.7
163.11174	81.2
171.11534	1.8
173.09579	4.0
181.12204	17.8
191.10590	2.5
209.11824	4.9
220.08426	2.3
222.14673	1.7
227.12782	100.0
229.35678	2.1
252.10782	2.6
283.15390	20.1
283.20389	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01862	5.9
55.05299	1.5
55.05512	15.2
57.03436	13.6
58.25350	1.5
62.29862	1.4
65.03925	3.1
67.05508	25.4
69.03413	2.2
69.07069	8.7
71.04984	4.3
71.51111	2.4
71.51443	1.6
73.02919	1.5
79.05067	2.2
79.05494	36.9
81.03394	5.2
81.07060	30.1
83.04980	6.9
83.08627	12.0
89.06024	3.0
91.05490	14.2
91.19795	1.3
93.07047	54.0
95.04964	13.8
95.08607	52.6
95.09116	1.2
97.02903	6.7
97.06508	4.4
97.10150	2.1
99.04451	5.7
105.07044	11.7
107.04948	13.6
107.08598	44.3
109.06493	3.5
109.10135	4.4
111.04430	4.1
111.08071	2.2
115.05386	1.3
117.07001	15.6
119.08597	15.9
119.35253	1.5
120.13818	1.4
121.06507	8.2
121.10162	18.8
123.08006	1.7
124.52775	1.4
125.05985	4.2
128.76694	1.3
129.06975	2.2
130.07776	3.5
131.08559	2.1
133.10146	3.9
135.08051	4.1
135.11691	62.6
136.12013	2.0
137.09666	1.3
137.97484	1.3
139.07468	1.9
143.08563	2.7
145.10117	37.9
153.12743	2.6
155.08562	1.8
163.11183	95.2
164.11560	2.6
173.09599	3.6
181.12225	22.4
191.10672	3.6
209.11688	3.5
211.66354	1.4
216.86206	1.5
227.12781	100.0
228.13100	2.7
251.10069	1.3
283.15396	18.5
283.20554	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01871	7.4
55.05508	16.4
55.50026	1.4
57.03185	1.9
57.03437	19.7
64.14545	1.5
67.05503	27.1
69.03415	1.6
69.07066	11.8
69.38805	14.5
71.04995	4.3
73.02901	1.6
73.47891	1.5
76.56042	1.4
77.71611	1.2
79.05137	1.1
79.05492	40.3
81.03418	4.5
81.07054	31.8
83.04993	9.3
83.08621	11.4
89.06036	7.7
91.05479	18.6
93.07042	57.8
93.07631	3.0
95.04971	10.8
95.08605	57.8
97.02902	7.1
97.06516	9.4
99.04444	6.6
105.07034	15.0
107.04958	16.2
107.08597	43.5
109.06551	4.2
109.10155	3.7
110.01756	1.5
110.97610	1.6
111.04410	2.8
113.05991	1.5
115.05466	2.1
117.07021	14.8
119.08577	13.1
121.05736	1.5
121.06487	9.1
121.10128	21.2
125.05978	2.6
129.07036	2.0
130.07780	2.3
131.08647	2.9
133.08604	2.5
133.10136	3.7
134.27116	1.4
135.08072	3.9
135.11687	65.0
139.07552	2.6
140.47523	1.5
143.08591	2.1
145.06569	1.5
145.10126	44.0
153.12787	2.4
155.08614	1.6
163.11180	97.9
173.09641	3.7
181.12213	22.9
184.50009	1.6
191.10571	2.6
209.11841	4.2
220.08379	1.6
227.12776	100.0
228.13210	1.9
255.15831	1.7
283.15396	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
55.01868	21.7
55.05512	28.0
57.03438	22.6
57.07060	5.9
61.78794	2.7
65.03931	3.1
67.05502	34.8
69.07066	22.6
69.84794	19.8
71.01028	2.4
71.01359	22.5
79.05489	43.3
81.03407	27.7
81.07058	27.5
83.04977	36.3
83.08606	11.3
85.02891	7.1
85.06528	3.4
91.05466	30.2
92.17226	3.1
93.07040	47.3
95.04962	13.7
95.08620	19.4
97.02888	64.3
97.03509	4.2
97.06525	15.1
97.10152	6.8
99.04463	5.4
105.07008	13.0
107.04948	16.7
107.08572	25.1
109.06544	3.2
109.10131	5.3
111.04423	21.6
111.08054	5.3
117.06967	10.3
119.08595	15.9
121.06497	100.0
121.07370	4.9
121.10140	16.7
123.08038	3.4
125.09604	5.1
131.08540	12.4
133.06511	3.7
135.11684	30.7
143.08511	3.9
145.10132	28.7
147.08041	6.1
153.12732	43.2
157.10095	3.6
163.11176	66.3
168.53358	2.6
173.09605	9.4
179.08630	3.9
181.12259	19.8
188.96216	2.9
191.10614	19.8
209.11708	47.4
227.12737	21.6
260.76990	2.8
283.15372	33.4
283.20410	6.0
283.28241	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
54.49408	2.1
55.01870	7.1
55.05510	16.3
57.03435	16.5
61.74649	2.1
67.05500	26.4
69.03450	2.5
69.07072	13.2
70.12212	4.4
70.12621	6.7
71.04987	6.8
73.02913	2.1
73.41219	2.0
75.64423	2.2
79.05489	43.6
81.03429	4.5
81.07055	30.2
83.04980	5.5
83.08600	11.4
89.06019	10.2
91.05486	15.2
92.43604	2.2
93.07042	54.7
94.14503	2.1
95.04958	8.4
95.08603	53.2
96.01228	2.2
97.02908	5.6
97.06528	5.6
99.04465	6.0
105.07024	11.6
107.04936	15.6
107.08595	43.3
109.06564	2.6
109.10158	3.8
111.04462	2.9
117.07005	15.2
119.08604	13.4
121.06517	6.7
121.10141	16.1
125.05949	2.5
130.07748	3.5
133.08609	4.8
133.10100	3.0
135.08005	3.2
135.11693	64.6
143.08621	2.4
145.10127	33.4
163.11176	88.6
181.12227	16.9
227.12770	100.0
283.15335	23.2
283.20593	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	283.1517
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
55.01864	0.9
55.05502	3.3
57.03420	1.4
58.20966	0.7
67.05512	7.1
68.05833	1.4
69.03430	0.9
69.07055	2.2
70.63123	1.7
70.63522	2.4
71.04985	0.9
74.22492	0.9
76.75678	0.8
79.05495	4.6
80.05824	1.0
81.03432	1.5
81.07069	6.2
83.08649	1.0
86.06068	1.1
87.04436	1.5
91.05465	3.3
93.07036	5.2
94.07394	1.0
95.04959	2.0
95.08604	6.5
96.08939	2.6
104.07082	1.8
105.07012	3.8
106.07317	0.9
107.04955	4.0
107.08585	3.7
108.08957	1.1
109.10154	2.4
110.10494	1.7
111.04418	0.9
112.40173	0.9
114.36974	0.8
117.07045	1.1
119.08566	2.4
120.08917	1.1
121.02839	1.1
121.10188	1.3
131.08501	1.0
133.06468	4.0
133.10124	1.4
135.11655	1.5
145.10103	2.2
147.08076	1.4
147.11678	0.8
157.10097	1.2
163.11140	2.1
173.02353	2.0
180.14658	1.0
181.06496	1.7
185.13869	0.9
195.08095	1.1
209.05983	1.1
233.11523	3.6
236.11674	0.8
251.12566	1.9
255.06680	1.1
255.09929	1.4
265.14124	3.2
269.12405	4.8
283.06100	3.5
283.09833	3.4
283.15143	100.0
283.20862	7.8
284.15475	2.5
301.15012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59027	0.1
53.00299	0.7
55.01866	0.6
55.05494	0.4
55.31150	0.1
57.03433	0.2
57.07062	0.1
59.03016	0.1
59.87156	0.1
64.36046	0.1
65.03938	8.1
67.05486	0.3
69.07059	0.2
71.01325	0.2
71.04995	0.1
75.42728	0.1
79.05481	0.4
81.03412	0.3
81.07062	0.6
81.67184	0.1
83.01353	0.2
83.04978	0.4
83.08599	0.2
86.62222	0.1
88.97080	0.1
91.05473	0.4
93.03401	4.8
93.07050	0.7
95.01336	0.5
95.04963	0.3
95.08587	0.3
97.02878	0.4
97.06487	0.2
98.20745	0.2
103.01808	0.4
105.07002	0.4
107.04947	0.3
107.08598	0.5
109.10148	0.3
111.04429	0.9
111.08062	0.1
116.07722	0.1
117.07029	0.2
119.08568	0.4
121.02863	4.3
121.06474	0.1
121.10177	0.6
121.78715	0.1
123.11734	0.2
131.01283	7.4
131.08563	0.4
133.10110	0.3
135.04416	0.2
135.08003	0.1
135.11668	0.3
143.08546	0.2
145.06523	0.1
145.10143	0.6
147.04419	0.2
149.02335	14.8
149.09373	0.1
150.02672	0.1
153.12730	0.4
157.10117	0.3
161.09628	0.1
163.07590	0.1
163.11209	0.6
167.03394	100.0
168.03732	0.9
169.03758	0.1
171.11623	0.1
173.13277	0.6
181.12166	0.2
185.13272	0.2
191.10658	0.2
209.11682	0.2
209.13390	0.1
223.14854	0.2
226.68585	0.1
227.12563	0.2
265.19611	0.4
282.27841	0.2
283.05984	1.2
283.09094	0.2
283.15524	0.3
283.20486	1.1
296.84262	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01860	3.3
55.05512	14.5
57.03439	9.5
57.07056	4.1
59.04985	2.5
65.03955	2.0
67.05506	80.8
69.03437	7.7
69.03729	1.4
69.07076	10.8
69.33564	14.6
71.04976	4.5
71.08623	1.6
74.09940	1.4
79.05064	2.5
79.05495	36.1
81.03407	4.6
81.06585	2.6
81.07059	50.4
83.04966	4.9
83.08609	4.6
84.25617	1.4
85.06483	1.5
86.06068	18.0
87.04466	25.7
91.05479	18.4
93.06474	2.3
93.07047	39.6
95.04978	15.2
95.08609	100.0
97.02853	2.0
97.06505	1.8
103.05470	2.3
104.07101	34.6
105.07036	22.3
107.04959	6.7
107.08597	26.2
109.06501	6.2
109.10155	44.8
110.10458	1.8
111.04456	1.9
111.08090	2.6
115.03866	1.5
117.06996	3.8
119.08577	29.2
120.04532	1.8
121.06512	2.7
121.10171	11.4
123.08054	4.8
125.05946	1.8
132.54468	1.6
133.06441	3.7
133.10143	6.4
135.11702	17.7
136.60658	1.3
137.09630	11.1
137.13234	2.0
138.56863	1.4
145.10112	6.4
148.37645	1.3
149.13237	5.5
151.14804	16.5
161.13281	9.6
163.11180	14.9
170.44476	1.5
179.14331	14.1
180.14580	1.7
181.12325	2.9
184.13306	2.5
203.22279	1.5
212.12845	2.4
227.12775	17.0
236.12810	1.5
251.10809	1.8
265.12256	3.0
265.15842	1.9
282.20639	77.2
283.15305	6.0
283.20816	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	282.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.3
56.42017	0.4
65.77677	0.5
66.36768	0.5
67.05482	0.6
68.05006	0.6
69.07060	0.6
76.70207	0.5
79.05472	1.2
80.05006	2.3
81.03391	0.7
81.07031	1.8
83.08604	0.5
84.08102	0.5
86.06028	1.4
87.04467	20.6
93.07040	3.5
94.06536	0.8
95.08579	1.4
95.47276	0.5
96.08087	1.1
98.06042	1.4
98.21496	1.2
99.66168	0.4
107.08568	1.4
108.08141	2.2
110.09647	1.8
119.08555	0.6
122.09635	2.0
123.10439	0.9
123.11659	0.9
124.07596	0.6
124.11204	0.7
135.11713	3.1
136.07542	0.7
136.11205	1.4
137.11990	0.4
142.70406	0.4
150.12762	3.4
152.13171	0.9
152.14343	14.1
166.08652	3.7
180.10114	1.3
181.10963	0.7
184.09738	1.5
184.13339	0.7
194.11743	3.0
195.12364	0.5
196.13297	0.7
203.83176	0.5
208.13332	4.7
209.14061	1.7
220.16953	0.5
236.16327	0.7
238.18004	100.0
239.18393	2.9
240.19571	1.1
282.20627	56.4
283.21072	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	282.0973
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
50.20961	0.6
53.03961	0.7
56.96577	1.0
59.05030	0.7
60.04528	11.2
65.69759	0.6
67.05489	0.7
69.03432	0.8
69.76552	3.9
70.02953	1.4
70.06626	0.7
79.05506	2.4
81.07039	1.2
84.08152	1.1
85.02904	0.9
87.04480	1.3
88.03994	64.0
93.07063	0.9
95.04966	1.1
98.72969	0.5
102.05545	97.1
103.05875	1.0
105.07018	0.9
107.04957	100.0
108.05292	1.6
108.08088	1.0
112.32520	0.6
113.02377	0.7
117.39322	0.5
120.04446	1.1
120.08102	2.6
121.02876	0.6
130.05022	1.9
131.72458	0.6
134.05980	0.9
134.09641	0.8
134.63287	0.6
145.02843	2.1
148.06052	54.6
149.06209	0.7
150.07726	0.7
155.19785	0.5
162.05493	1.6
166.12285	0.7
177.05463	3.9
184.13319	0.7
191.08427	1.9
219.07956	1.1
222.07520	1.8
226.04051	0.6
236.09262	3.2
236.28990	0.6
238.14461	1.1
250.07002	0.7
251.10585	1.3
264.08554	1.1
265.12158	1.7
282.17313	3.4
282.21906	1.3
300.06067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2473
Annotation	10Z,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	3.7
55.05511	70.5
57.03426	6.1
57.07074	27.9
61.69867	1.7
67.05505	53.4
69.07067	100.0
71.04977	5.6
71.08627	18.4
71.59029	3.3
79.05482	21.4
81.03421	2.6
81.07051	79.5
82.01187	1.9
83.04980	6.2
83.08618	62.3
85.06543	6.0
85.10178	7.4
91.05472	28.2
93.07040	38.8
95.04990	9.2
95.08606	70.4
97.06535	9.4
97.10168	52.3
99.08067	4.8
105.07029	31.3
107.08576	27.0
109.06476	2.5
109.10151	46.6
111.08083	5.5
111.11727	19.6
115.07561	3.4
119.08575	30.2
121.10136	24.2
123.08054	4.2
123.11703	20.4
124.17197	1.9
125.09653	6.1
125.13274	8.6
127.11206	2.0
129.07045	2.1
131.08574	3.6
133.10132	28.8
135.08072	3.9
135.11702	13.0
137.09589	6.9
137.13249	8.7
139.11183	2.9
141.12753	2.7
143.08430	2.4
145.10091	2.3
147.11668	24.2
149.13277	13.2
151.11185	9.3
151.14818	4.5
153.12746	4.2
155.10646	2.7
161.13214	15.3
163.14824	8.1
165.12747	8.1
165.16423	5.2
167.14368	3.7
171.11694	2.2
173.13324	3.1
173.72304	1.8
175.14812	11.2
177.16379	2.8
177.91208	1.9
179.14349	3.1
179.17990	2.4
189.16457	9.8
191.08633	3.5
193.15834	5.3
203.18036	3.0
207.17445	5.4
219.08006	3.1
219.21008	3.6
221.22701	10.0
245.22665	37.6
250.09753	2.2
251.10735	3.4
263.23718	21.9
267.69809	2.1
281.18631	10.1
281.21405	5.5
299.06091	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	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05501	56.9
57.07072	28.2
59.72331	16.6
67.05498	35.7
69.07065	83.2
70.02171	61.5
70.02590	23.9
71.08638	17.8
79.05483	20.6
81.07049	57.7
83.08614	53.7
85.92110	13.7
91.05443	17.5
93.07047	32.7
95.08612	59.5
97.10170	46.3
98.21415	19.5
104.81403	13.9
105.07030	23.8
107.08591	18.8
109.10164	36.8
119.08591	28.7
123.11671	24.9
133.10127	16.1
191.08473	29.6
197.13211	23.5
200.06781	15.1
213.12784	21.4
219.08160	32.1
228.82896	17.3
235.14795	24.2
245.22649	26.2
250.09746	24.5
251.10707	18.0
263.23779	37.9
281.18927	100.0
282.27896	23.3
299.06424	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37852	1.1
51.08985	1.4
53.03950	7.4
55.01858	3.9
55.05510	34.1
57.03436	32.9
57.07071	1.8
57.70337	1.2
65.03934	6.1
67.05502	90.0
69.03419	2.5
69.07065	14.1
70.04068	5.0
70.20901	1.5
71.04984	3.2
73.06543	2.2
79.05489	100.0
81.03415	10.4
81.07055	60.7
83.04977	30.4
83.08627	8.1
85.02912	1.6
85.06561	3.8
91.05474	67.6
93.07040	63.4
95.04965	27.6
95.08604	38.9
97.06553	6.3
97.10160	5.3
103.05445	2.7
105.04572	1.4
105.07026	49.9
107.04950	6.3
107.08581	16.9
109.06516	9.5
109.10126	5.7
111.08099	2.0
115.05372	2.2
117.07003	8.5
119.08573	31.4
121.06486	2.8
121.10136	6.5
123.08088	8.6
128.06232	2.7
129.07002	16.7
130.07745	1.6
131.08582	2.0
133.10107	12.2
135.11694	2.5
143.08566	12.0
144.72104	1.4
145.10112	10.2
147.08047	2.0
147.11676	42.9
161.09627	5.1
161.13232	12.8
171.11671	24.2
189.12709	10.2
207.13821	9.1
281.17484	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.3
55.01869	5.4
55.05515	32.8
56.96548	4.2
57.03437	24.8
57.07055	2.2
65.03943	5.7
67.05503	93.1
69.03429	4.4
69.07063	22.8
70.22224	2.2
71.04996	2.8
79.05490	100.0
81.03416	17.7
81.06584	4.3
81.07054	71.3
83.04980	33.4
83.08602	9.5
85.02886	3.5
85.06495	4.5
91.02669	2.2
91.05470	73.7
93.07043	69.9
95.04965	34.1
95.08603	43.4
97.02882	4.8
97.06525	7.8
97.10172	5.7
98.20754	3.4
105.04503	3.1
105.07032	53.0
106.18278	2.2
107.04951	15.0
107.08591	27.9
109.06517	10.7
109.10153	11.6
111.08087	2.7
117.07009	9.8
119.08580	34.4
121.06497	2.9
121.10152	5.0
123.08048	9.8
128.06238	3.4
129.07002	20.4
131.08568	4.0
133.06401	3.0
133.10130	13.4
135.11691	3.6
143.08559	11.6
145.10114	10.3
147.08063	3.2
147.11678	37.1
161.09601	5.4
161.13261	14.1
171.11685	30.2
189.12743	10.5
207.13786	10.5
219.08015	2.5
258.11798	2.3
281.14026	4.8
281.17474	25.3
283.03226	3.7
299.06116	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87980	1.5
53.03956	9.0
55.01873	5.9
55.05512	32.6
57.03188	2.6
57.03441	27.4
65.03938	3.4
67.05504	90.1
69.03414	2.1
69.07069	12.9
71.04720	3.5
73.06552	2.2
77.03954	2.3
79.05495	100.0
81.03426	12.4
81.06586	3.9
81.07062	62.1
83.04980	39.6
83.08617	8.1
85.06586	2.1
91.05482	78.8
91.92507	1.7
93.06473	4.2
93.07045	65.6
94.32621	1.9
95.04970	36.7
95.08051	2.9
95.08612	36.1
97.06502	5.3
97.10170	3.7
103.05473	2.4
105.04462	2.3
105.07033	50.3
107.04967	8.7
107.08593	22.7
109.06506	7.5
109.10162	6.6
117.07004	12.2
119.07791	2.6
119.08588	28.5
121.06474	2.1
121.10128	5.0
123.08073	8.9
128.06198	3.1
129.07002	15.3
131.08540	2.0
133.06532	2.5
133.10141	12.5
135.11734	2.6
143.08565	11.1
145.10141	13.0
147.08035	2.6
147.11691	41.0
161.09610	5.6
161.13261	14.8
163.11012	1.8
171.11716	28.9
189.12718	6.0
207.13878	9.4
207.15472	2.0
210.36946	2.2
235.52551	1.9
259.47217	2.2
281.17484	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01868	4.9
55.05511	40.5
55.11186	1.2
56.96559	4.0
57.03438	27.1
57.07067	3.2
58.06841	1.3
65.03922	4.9
66.36032	1.4
67.05505	84.8
68.05026	2.1
69.03429	3.6
69.07073	15.8
69.50791	13.4
70.06580	2.2
71.04978	4.5
72.08157	72.7
73.06533	2.0
79.05492	100.0
80.05018	19.8
81.03422	11.9
81.07058	70.2
82.07360	1.8
83.04980	28.6
83.08605	9.7
85.06548	3.3
91.05480	67.8
93.07043	66.6
94.06548	2.1
95.04967	29.3
95.08605	39.6
97.02887	2.4
97.06512	5.8
97.10146	6.0
103.05470	2.3
105.04511	1.6
105.07033	51.6
107.04958	23.0
107.08594	23.1
109.06551	7.6
109.10142	7.8
115.05418	1.7
117.07005	10.5
119.08587	29.9
120.08134	1.7
121.06518	4.7
121.10155	6.8
122.09670	15.8
123.08048	7.2
127.07592	3.0
127.57552	1.4
128.06218	3.2
129.07025	14.0
130.07768	1.7
131.08543	2.9
133.06467	3.7
133.10132	12.9
134.09663	10.7
135.11685	3.1
137.09637	1.8
143.08543	9.3
145.10132	10.3
147.08002	3.3
147.11684	39.3
156.09364	1.8
157.06541	1.6
161.09644	4.4
161.13248	13.0
163.11240	1.6
171.11697	25.3
174.12755	2.4
175.11148	2.2
189.12715	7.0
192.13858	6.4
207.13777	9.6
210.14914	17.1
246.18584	6.7
264.19595	32.8
266.99841	2.1
281.17822	18.7
281.22217	34.0
283.02756	1.5
299.06140	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86427	1.9
52.10881	1.8
53.03943	10.9
53.13783	1.8
55.01863	5.5
55.05268	2.4
55.05515	32.3
56.96556	1.9
57.03193	2.5
57.03443	30.3
60.57581	1.8
63.51158	1.8
65.03933	7.0
67.05510	92.4
69.07070	17.3
70.35330	6.5
70.35735	3.6
71.04998	4.4
74.50327	2.0
75.14636	2.1
79.05498	100.0
79.07231	1.8
81.03425	14.3
81.07065	66.9
83.04986	39.1
83.08630	11.9
85.06547	3.7
86.33946	1.8
87.04474	2.1
91.05479	75.8
93.07050	71.1
95.04978	34.1
95.08609	45.6
97.02911	1.7
97.06538	6.3
97.10172	6.2
103.05487	2.5
105.04541	2.4
105.07043	50.8
107.04955	10.6
107.08598	21.1
109.06519	8.9
109.10168	8.5
111.08064	3.2
115.17694	2.1
117.07019	12.4
119.08589	32.8
121.06515	3.3
121.10146	5.4
123.08083	9.6
126.58549	2.0
127.07523	2.2
129.07018	16.4
131.08562	5.8
133.06458	1.9
133.10136	15.8
133.98337	2.1
135.11705	3.2
143.08551	9.5
145.10118	12.2
147.08087	4.4
147.11700	39.0
161.09641	4.0
161.13234	15.6
167.36195	2.1
171.11713	29.4
189.12761	9.9
207.13840	8.6
266.99924	2.1
269.91074	2.2
281.17456	25.5
299.06363	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03940	13.6
54.41352	1.6
55.01871	4.2
55.05266	3.0
55.05512	37.5
57.03198	2.1
57.03440	27.7
57.07063	2.5
58.07138	1.7
63.27806	1.8
65.03938	3.4
67.05506	88.6
67.82431	2.1
69.03444	2.1
69.07074	17.9
70.41212	7.9
71.04990	3.2
79.05494	100.0
80.05833	1.9
81.03419	15.6
81.07059	65.0
83.04981	38.3
83.08627	10.3
85.06512	4.8
91.05482	73.2
93.07047	68.8
95.04971	32.5
95.08605	39.7
97.06501	5.2
97.10142	5.4
103.05489	2.1
105.07035	45.8
107.04933	9.7
107.08588	29.8
109.06510	8.2
109.10178	5.4
117.07034	11.3
119.08590	36.3
121.06535	2.7
121.10143	4.5
123.08074	7.7
127.07561	3.0
128.06230	2.2
129.06998	19.8
129.87852	1.9
131.08542	3.3
132.32234	1.9
133.10120	15.0
135.11737	3.1
143.08559	8.4
145.10133	11.5
147.08067	4.1
147.11687	38.6
161.09598	2.9
161.13251	13.9
171.11678	30.8
189.12733	8.4
207.13814	9.3
212.86812	2.0
251.21767	1.9
281.17447	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65409	0.3
55.01874	7.7
55.05511	3.6
55.94359	0.3
56.05035	2.9
57.03424	0.6
69.03425	0.5
70.04832	1.5
70.06593	8.7
71.04995	15.1
74.81769	0.4
76.72381	0.4
79.05482	0.9
91.05786	0.4
93.07042	1.3
93.27676	0.4
98.06060	19.0
99.04449	4.3
103.05477	4.7
107.04983	2.0
116.07093	24.1
117.10750	0.4
120.08106	100.0
121.08447	1.3
131.04929	2.9
134.08185	0.5
136.06190	5.3
138.51123	0.5
146.06017	1.3
148.46730	0.5
149.05991	2.3
152.14426	0.4
162.04141	2.5
166.08644	39.3
167.08951	0.7
169.29512	0.4
200.10811	2.3
218.11763	2.0
229.00198	0.4
246.11240	0.6
263.13971	0.8
264.12317	16.1
265.12784	0.6
267.00015	0.9
281.02014	1.2
281.14981	7.7
283.02988	0.8
299.06079	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0808
Annotation	Neodunol
Peak:m/z	Relative Intensity
51.45580	0.5
53.03933	1.3
55.01857	0.9
55.05505	2.2
56.96543	1.5
57.03434	1.6
63.51292	0.6
65.03934	1.5
67.05502	4.1
68.38315	0.5
69.03419	1.8
69.07059	1.8
69.95454	0.5
71.04993	0.9
71.58652	0.6
71.59093	1.1
77.03929	2.1
79.05495	4.2
81.03406	0.8
81.07060	4.0
83.04976	1.4
83.08606	1.6
85.02879	1.9
85.06588	0.6
91.05474	23.3
93.07032	2.7
95.04973	2.6
95.08602	3.2
97.02867	1.4
97.10166	0.6
105.03391	9.9
105.07011	3.6
107.04962	5.4
107.08578	1.9
109.02837	0.6
109.10159	1.2
119.04941	43.6
119.08553	2.1
120.02110	1.1
120.05294	1.1
121.06529	1.0
121.36861	0.7
123.04433	2.1
123.08099	0.9
123.11648	0.8
125.09679	0.6
127.03944	0.8
129.06978	0.8
131.04924	3.3
133.02850	14.7
133.06496	3.7
133.10143	1.6
134.99710	0.8
135.04420	2.1
145.10139	0.8
147.04404	100.0
147.11687	1.8
148.04742	1.4
151.03896	5.9
159.04497	0.6
159.08005	0.9
159.69371	0.5
161.02342	57.8
162.02686	1.2
171.11644	0.8
178.07747	2.0
179.03395	11.0
179.08556	4.5
181.06490	1.0
187.03961	4.4
189.07002	1.0
189.12770	0.8
206.07222	0.9
207.08075	4.6
218.07251	1.1
222.81738	0.6
234.06743	2.3
235.07507	4.2
261.05566	0.7
263.07031	36.1
263.14401	0.9
264.07370	1.2
266.05777	2.5
266.99860	1.3
281.08075	71.6
281.13181	2.1
282.08356	2.1
283.03101	1.1
299.06213	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1906
Annotation	Serratinine
Peak:m/z	Relative Intensity
51.81530	1.0
53.03959	1.0
55.01863	6.6
55.05508	5.9
57.03440	1.8
57.07064	1.6
58.67906	1.0
62.51644	0.9
67.05494	4.4
68.05040	1.3
69.03429	6.9
69.07066	5.4
70.06592	13.4
70.44828	1.0
71.58927	2.2
79.05499	16.2
79.50635	1.0
81.07056	5.4
84.04478	1.2
86.06067	58.4
87.04465	1.6
87.11864	1.1
91.05466	8.0
93.07045	48.4
93.07636	2.3
95.04971	3.4
95.08601	5.0
96.08923	1.2
97.06521	3.8
98.06052	52.9
105.07059	6.0
107.04961	5.2
107.08598	25.1
109.06502	1.9
112.07529	1.2
115.48067	1.0
117.07028	3.8
119.08616	1.9
120.08107	1.4
121.06516	7.1
121.10143	4.8
124.07580	1.3
129.07053	1.5
131.08574	7.0
133.10106	2.2
135.08064	11.6
135.11690	40.8
144.09319	1.9
148.07634	2.4
148.08765	1.3
149.02332	4.6
149.09619	16.1
149.13245	5.5
150.02728	3.3
152.14265	1.2
159.11700	10.5
162.12712	1.2
163.09932	1.5
164.10753	3.5
176.10750	2.3
177.12752	100.0
178.08524	1.4
178.13113	2.1
178.15886	1.4
190.12285	19.5
191.12982	1.5
194.15456	3.1
206.15427	10.4
208.13321	1.4
220.13420	1.6
220.17014	7.0
226.49277	1.3
234.18521	4.8
238.18077	2.1
244.16988	18.0
249.09087	2.6
262.18027	58.0
267.00024	1.8
280.15887	2.3
280.19049	10.1
281.07779	1.2
299.06271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05516	8.4
57.62419	1.3
58.68542	1.2
65.03908	1.5
66.14971	1.3
67.05507	100.0
69.07081	7.7
79.05495	12.1
81.07060	90.8
82.07420	1.4
82.75272	1.4
83.08636	3.1
91.05482	3.2
93.07050	6.4
95.04988	1.2
95.08607	65.5
96.08952	1.3
97.10192	1.9
97.13154	1.1
103.18719	1.5
105.07010	2.4
107.08614	4.6
107.27508	1.2
109.10159	34.9
110.00381	1.5
119.08590	1.9
121.10139	4.3
123.11719	21.4
131.08585	2.7
133.10175	2.8
135.11670	3.3
137.13252	7.2
145.10132	1.4
149.02354	2.4
149.13196	1.8
151.14833	1.4
173.13297	2.2
177.12787	1.2
187.14841	1.7
195.13773	1.3
223.16777	1.6
229.30722	1.4
235.69478	1.3
243.21129	2.1
254.20795	1.2
279.23151	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	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03948	1.2
55.05507	9.8
57.07066	2.0
65.03931	3.5
67.05502	100.0
67.12456	0.7
68.05818	0.8
69.07064	8.2
69.91631	3.8
69.92035	1.8
71.04959	1.3
79.05489	15.1
81.07055	96.8
82.07368	1.2
83.04954	1.7
83.08618	4.2
85.06521	1.7
91.05474	3.5
93.07042	12.1
95.08604	78.9
96.08942	1.6
97.06561	1.0
97.10170	1.9
98.20757	0.9
105.07018	2.9
107.08582	9.6
109.06535	1.6
109.10159	24.8
111.11712	0.9
117.07013	2.1
119.08582	2.8
121.10122	6.5
123.08055	1.7
123.11703	12.4
127.07583	1.1
131.08568	4.5
133.10104	3.4
135.11713	5.6
137.13258	9.9
145.10088	2.9
147.11688	2.9
149.02370	0.9
149.09662	1.8
149.13242	3.3
151.14793	4.0
159.11676	3.2
161.13297	1.4
163.11147	1.5
163.14847	1.2
173.13278	6.9
177.12805	1.6
177.16379	1.6
179.14192	1.0
181.12155	1.1
187.14777	2.6
191.14314	2.2
195.13861	2.1
209.15349	2.5
223.16937	1.9
243.21162	1.4
261.22205	1.9
279.23163	15.7
279.25952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.29103	0.7
53.03933	1.1
55.01872	1.2
55.05516	9.1
57.03408	1.3
57.07057	3.4
60.95858	1.2
65.03928	2.5
67.05505	97.8
68.05830	1.2
69.07071	9.5
69.35731	3.3
69.36160	4.1
71.08620	0.8
79.05489	15.9
81.07056	100.0
83.04955	0.9
83.08617	5.0
85.06544	1.6
91.05474	6.0
93.07047	13.3
95.04981	1.2
95.08607	75.9
95.26074	0.9
96.08932	1.7
97.02842	0.8
97.06532	2.5
97.10147	2.9
105.07027	3.9
107.08585	10.0
109.10155	40.5
111.08091	0.8
111.11669	0.8
111.38586	0.8
117.07005	1.8
119.08555	4.2
121.10136	8.9
122.12193	0.8
123.08048	2.1
123.11710	21.6
126.57886	0.9
131.08586	4.5
133.10110	2.8
135.08078	0.9
135.11685	5.9
137.13261	8.8
145.10094	2.9
147.11671	1.9
149.02332	9.2
149.09636	1.8
149.13239	2.7
151.11148	1.7
151.14822	2.3
153.00517	1.3
158.03265	2.6
159.11684	2.0
161.13252	1.8
163.11185	1.5
163.14763	1.8
170.51169	0.7
173.13268	2.9
177.12755	1.8
177.16510	0.9
179.14281	0.8
187.14746	2.4
191.14305	1.3
195.13821	2.2
201.56223	0.8
205.15961	1.3
209.15361	2.0
219.21100	1.1
223.16885	2.3
237.18651	0.9
243.21106	2.4
261.22195	3.3
279.09665	1.0
279.20273	1.0
279.23184	24.8
280.23468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.03871	0.7
53.03945	1.3
55.01868	1.6
55.05508	10.4
57.03435	1.3
57.07073	6.5
64.78413	0.8
65.03938	3.7
67.05505	96.1
69.03448	1.0
69.07070	14.7
69.35645	8.8
70.88465	0.8
71.04987	2.6
71.08626	1.6
77.52216	0.7
79.05061	1.2
79.05495	17.3
81.07059	100.0
82.07389	2.3
83.04968	2.2
83.08614	6.0
85.06548	1.3
91.05470	7.0
93.07046	17.3
95.04967	2.7
95.08609	86.9
97.06516	2.3
97.10170	3.2
98.20645	0.9
105.07027	7.4
105.87012	0.9
107.08600	10.9
109.06548	1.6
109.10161	45.7
111.08074	1.7
111.11715	1.5
117.07035	1.3
119.08561	5.9
121.02872	1.5
121.10148	10.1
123.08062	2.0
123.11710	22.1
131.08580	5.8
133.10149	4.6
135.11755	4.3
137.09618	1.4
137.13248	7.0
145.10114	5.1
147.11691	4.3
149.02351	24.3
149.09616	1.8
149.13239	3.2
151.11237	2.1
151.14809	2.4
156.14645	0.8
159.11697	4.0
161.13284	2.5
163.11215	2.3
163.14838	2.7
165.12787	2.4
167.10640	1.4
173.13210	4.2
177.12756	1.2
177.16357	0.9
181.12248	2.1
187.14801	3.7
191.14279	1.7
195.13809	2.3
201.16458	1.4
205.15863	2.3
209.15352	2.4
219.05696	2.5
219.21118	1.5
223.16942	3.2
237.18474	1.0
243.21056	4.4
249.09120	1.7
261.22119	5.3
269.53036	0.9
278.05069	0.9
279.09329	1.6
279.16205	1.2
279.19672	3.2
279.23199	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	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03946	1.5
55.01857	1.0
55.05508	9.5
57.03437	1.1
57.07075	2.2
61.49279	0.8
63.91624	0.6
64.76123	0.6
65.03939	2.4
67.05504	99.3
69.07066	10.3
69.62463	5.0
71.04990	1.5
71.26610	0.5
74.49404	0.6
79.05490	15.5
81.07055	100.0
82.07391	0.8
82.54052	0.6
83.04984	0.8
83.08616	4.9
85.06573	1.5
91.05481	5.5
93.07045	13.9
95.04985	1.5
95.08604	80.0
96.08963	1.2
97.06506	1.4
97.10162	2.4
105.07026	4.0
105.40620	0.7
107.08593	8.2
109.06526	1.6
109.10153	44.2
111.08090	0.9
111.11723	0.9
117.07059	1.6
119.08562	3.8
121.06528	0.8
121.10135	7.7
123.08096	1.8
123.11705	23.9
124.12019	0.6
124.63786	0.6
127.07581	0.8
131.08568	4.3
133.10123	3.0
135.08067	0.9
135.11719	4.8
137.09593	1.4
137.13272	7.6
139.11169	0.8
144.95081	0.6
145.10110	3.6
147.11691	2.6
149.02319	4.9
149.09647	1.1
149.13249	2.4
151.11232	1.0
151.14838	2.3
159.11702	1.8
161.13239	1.5
163.11214	1.2
163.14816	1.5
165.12759	1.2
165.16357	0.6
167.10733	1.0
167.59561	0.6
167.92555	0.6
173.13258	2.8
177.12741	1.5
177.16393	1.1
181.12262	1.1
187.14877	3.4
191.14333	1.0
195.13817	1.7
201.16330	0.7
202.17903	0.7
205.15860	1.7
209.15347	2.4
215.23607	0.7
219.21010	0.8
223.14931	0.7
223.16971	2.8
237.18460	1.3
243.21054	2.7
261.22171	3.5
279.19751	2.3
279.23160	26.3
280.23230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
56.96560	1.5
57.07060	2.2
69.25996	2.2
69.26420	5.3
81.07061	1.5
85.02887	0.9
86.09708	100.0
87.10045	0.8
93.07040	1.3
93.88909	0.6
95.08603	1.0
98.97585	1.0
99.04446	0.7
103.05478	2.3
109.10177	0.6
116.98627	1.1
120.08104	40.5
121.02858	1.1
131.04947	0.7
143.77116	0.7
143.91707	0.6
149.02345	16.2
166.08647	9.5
177.00710	0.8
177.26666	0.6
193.96303	0.7
219.06514	2.1
229.13315	0.9
233.16537	1.1
261.12360	0.7
279.09689	1.3
279.16824	3.5
280.19193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1749
Annotation	8alpha-Hydroxylycothunine
Peak:m/z	Relative Intensity
55.05309	1.0
55.05510	10.7
56.96556	2.6
57.03432	8.9
57.07071	1.2
57.87592	1.0
67.05496	7.7
68.05820	1.7
69.03410	3.2
69.07044	2.0
69.68738	2.8
69.69154	4.4
79.05482	5.4
80.04998	2.0
80.05815	1.8
81.07043	5.6
82.06550	2.4
82.07357	1.5
83.08620	1.5
86.06059	1.5
87.04465	29.6
91.05466	5.1
91.05943	1.2
93.07037	6.8
94.06568	17.6
94.07359	2.2
95.04986	1.9
95.08589	4.6
96.08921	1.6
97.10162	2.2
98.20837	1.7
98.97627	1.2
105.07007	3.7
106.06544	2.9
106.07288	1.2
107.07332	1.6
107.08588	3.4
109.10119	1.3
116.98586	2.5
117.07007	2.9
118.06506	2.1
119.07430	1.2
119.08577	3.9
120.08115	10.4
120.08874	2.0
122.09673	9.3
122.10472	1.9
125.09665	1.1
132.08069	4.2
134.09647	10.5
134.99739	1.6
136.07585	3.7
136.11180	8.9
146.09601	2.9
148.07545	5.9
148.11163	1.9
149.01323	1.0
149.02361	7.8
149.08336	4.7
150.09142	12.5
158.09601	1.6
158.99641	1.2
160.07602	1.2
160.10072	1.2
160.11153	6.7
161.08325	3.3
162.09122	23.7
162.12657	1.3
166.08641	3.4
170.09621	1.4
173.13257	1.2
174.09145	2.7
174.12808	1.6
176.06961	1.2
176.10693	1.5
176.14342	1.4
177.00920	1.1
178.08681	1.5
180.10164	9.4
188.10645	11.8
189.11290	1.9
190.12254	28.5
192.10161	5.1
192.13834	3.6
200.10767	3.4
202.12289	1.8
204.13821	4.1
206.11765	42.0
207.12219	1.4
208.13339	8.0
214.15863	1.2
218.11761	34.4
220.13326	1.9
221.14014	1.9
222.14888	10.2
232.16917	1.8
236.12775	17.4
236.17017	2.4
242.15393	5.0
255.09044	1.8
260.13712	1.8
260.16449	34.7
273.10391	1.4
278.17514	100.0
278.21625	4.7
279.17822	3.1
289.95346	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1234
Annotation	Sachaloside V
Peak:m/z	Relative Intensity
55.01621	0.3
55.01870	3.4
55.05505	1.7
56.05022	0.5
56.96560	0.3
57.03421	0.6
61.00959	0.2
61.02927	1.1
69.03426	2.4
70.06587	3.9
71.05004	1.0
71.57797	0.4
71.67168	0.2
73.02901	0.4
81.03416	1.1
84.08155	0.3
85.02899	6.3
87.04462	0.6
91.03947	0.4
97.02879	2.2
98.06049	10.8
98.97575	0.8
99.04451	1.0
109.02875	0.5
112.07586	0.4
116.07084	100.0
116.98649	0.5
117.07404	1.3
127.03899	1.3
128.07080	0.6
128.98605	0.4
136.58586	0.2
138.02148	0.2
140.07056	0.5
145.04962	1.6
148.03848	0.3
157.04364	0.2
158.08092	1.5
158.99719	0.2
177.00702	0.3
182.08067	0.3
196.56525	0.6
205.56976	0.3
220.06087	0.5
237.02748	0.4
278.12354	0.9
295.07059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01873	3.7
55.05505	2.1
56.05031	0.9
56.96561	0.6
57.03434	1.4
61.02914	1.3
64.53117	0.3
69.03429	3.4
70.06599	3.7
70.93459	0.3
71.04996	1.5
71.07610	0.7
73.02917	0.4
81.03429	1.7
84.08125	0.5
85.02909	7.4
87.04473	0.4
91.03981	0.5
97.02889	2.5
98.06056	12.3
98.97593	3.6
99.04465	0.3
109.02868	0.9
110.97559	0.8
116.07092	100.0
116.98610	2.9
117.07435	1.0
119.01907	0.9
120.02034	0.9
127.03929	1.7
128.98630	1.2
134.99652	1.8
140.07045	1.0
145.04974	1.0
146.99644	1.2
158.08142	1.7
158.99687	1.2
161.02979	0.4
162.03072	0.7
162.65300	0.3
165.28122	0.3
174.03102	0.4
177.00717	3.1
182.08199	0.5
186.03108	0.5
189.00723	1.3
191.03961	0.4
207.01793	0.6
219.78116	0.4
237.02902	0.5
246.05179	0.6
278.09250	4.3
278.12274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.09589	2.5
53.03937	6.9
55.01873	5.7
55.05262	3.2
55.05510	38.9
56.62482	2.3
57.03425	3.7
57.07073	17.8
62.26268	2.6
65.03929	5.2
67.05170	4.4
67.05507	68.9
69.07069	33.5
69.61452	7.9
69.61878	11.3
71.04974	8.6
71.08628	17.0
79.05493	69.8
80.74545	2.4
81.03426	5.6
81.07061	85.8
83.04980	9.2
83.08605	13.3
85.06535	6.3
88.26033	3.0
91.05482	52.6
93.07045	100.0
95.04974	31.5
95.08608	55.6
95.80193	2.5
97.06521	10.9
97.10159	5.5
99.08096	17.1
105.07028	37.3
107.04939	7.2
107.08595	53.8
109.06516	11.3
109.10160	20.8
111.08080	8.2
114.59638	2.5
117.07036	9.6
119.08593	29.3
121.06489	6.1
121.10155	33.3
123.08085	8.8
123.11684	7.4
125.09678	2.8
129.07016	6.8
131.08577	6.7
133.10139	24.3
135.08063	2.8
135.11734	24.5
137.13176	2.9
139.59140	2.5
143.08511	3.9
145.10144	11.7
147.08136	3.2
147.11687	18.6
149.13242	17.9
149.45393	2.3
151.11200	11.5
157.10110	7.4
159.11649	4.7
161.09639	6.0
161.13272	22.6
163.11195	11.4
163.14796	8.8
165.12767	7.4
171.11656	6.4
173.13190	4.3
175.14795	8.7
179.10674	10.7
179.14293	5.0
185.13251	6.5
189.12764	5.5
193.15884	3.1
199.14703	4.2
207.13780	5.0
213.19954	3.1
217.19559	2.6
221.15364	5.9
231.21021	9.1
235.16925	28.5
241.19519	8.9
259.20566	13.9
277.18048	22.3
277.21631	99.7
294.50577	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02388	1.8
53.03941	7.8
55.01864	6.6
55.05510	32.8
56.32246	1.9
57.03420	3.5
57.07077	11.3
59.70039	2.0
65.03934	5.7
67.05503	88.8
69.07065	30.2
70.18143	6.1
71.04980	4.0
71.08591	2.9
77.84938	1.6
79.05489	69.1
80.77587	1.6
81.07056	92.9
81.94118	1.8
83.04980	3.1
83.08621	17.2
85.06525	3.7
86.36445	1.9
91.05479	65.1
93.07043	100.0
95.04982	17.0
95.08607	62.2
95.09117	1.3
97.06552	10.1
97.10175	5.1
98.20809	2.2
99.08089	3.8
103.05474	2.3
105.07030	43.5
107.04956	4.8
107.08588	46.0
109.06515	14.3
109.10151	22.7
110.20840	1.8
111.08091	7.7
117.07017	6.1
119.08572	30.1
121.06489	5.7
121.10133	24.0
123.08073	4.6
123.11719	9.1
129.06964	8.8
131.08553	10.5
133.06544	2.1
133.10147	20.9
133.81755	1.8
135.08025	2.8
135.11702	22.0
137.09601	4.1
137.13274	4.9
143.08546	6.4
145.10092	9.9
147.08044	3.8
147.11644	17.4
149.13269	17.9
151.11205	2.7
156.27600	1.8
157.10133	6.1
159.11688	3.5
161.09590	2.5
161.13229	18.7
163.14810	5.8
165.12785	5.0
171.11671	9.6
175.11159	3.5
175.14790	9.2
177.12636	2.3
179.14267	2.1
185.13271	5.2
189.12732	5.5
191.14290	3.0
199.14812	3.1
207.13733	2.1
221.15300	3.5
231.21082	9.2
235.16847	4.2
241.19560	8.3
249.22139	2.6
259.20605	11.1
277.18448	3.6
277.21616	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03928	3.4
55.01852	2.2
55.05261	1.8
55.05508	20.1
55.28963	1.1
57.03416	2.4
57.07055	4.2
58.42411	1.0
65.03918	2.3
67.05499	40.3
69.07065	16.0
69.42762	10.1
71.04974	2.9
71.08628	19.5
76.36507	1.0
79.05487	68.0
80.05837	1.3
81.03405	4.4
81.07053	52.2
83.04955	5.1
83.08605	10.2
85.06529	2.9
91.05478	29.9
93.07040	100.0
94.07396	1.1
95.04965	15.0
95.08604	38.2
97.06507	5.0
97.10142	3.8
99.08091	15.5
105.04433	1.8
105.07034	19.0
107.04935	4.7
107.08585	59.5
109.06505	5.0
109.10164	10.5
111.08052	1.4
117.06995	4.5
119.08586	12.4
121.06423	1.6
121.10136	45.2
123.08053	2.5
123.11687	2.2
129.07005	1.9
131.08545	4.6
133.10115	8.4
135.11684	61.7
135.86494	1.1
136.12076	1.1
137.09605	2.8
143.08546	3.2
145.10081	5.1
147.11673	8.3
149.09593	2.0
149.13257	17.6
151.11197	8.3
157.10060	1.4
159.11694	3.4
161.13246	7.4
163.11147	5.2
163.14807	3.3
165.12698	1.5
167.10609	2.4
169.93848	1.0
171.11722	1.6
173.13312	1.3
175.14827	1.8
177.12683	2.6
179.14296	19.2
189.12788	1.3
195.13821	2.4
203.14308	1.5
213.74376	1.6
221.15314	4.6
227.98938	1.1
234.37169	1.0
235.16910	3.7
241.19432	3.7
259.20541	7.0
266.92929	1.2
277.21616	72.5
298.08984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03928	5.6
55.01880	1.9
55.05510	18.0
57.07089	3.4
58.13394	1.7
67.05171	2.8
67.05505	42.0
69.07063	13.3
70.72494	6.2
71.04987	2.6
71.08633	16.0
76.01689	1.8
79.05490	63.4
81.03380	2.4
81.06585	3.1
81.07054	54.8
83.04981	3.9
83.08602	9.1
85.06529	1.9
91.05473	30.2
93.07040	100.0
95.04968	11.8
95.08046	3.1
95.08604	33.2
97.06533	3.1
97.10183	2.2
99.08082	10.8
105.04581	2.6
105.07017	17.8
107.04935	3.1
107.08599	60.1
107.75077	1.7
109.06490	2.6
109.10126	8.9
117.07003	4.5
119.08599	10.4
121.06507	2.3
121.09309	3.4
121.10139	41.3
123.08080	2.2
123.11692	2.4
129.07011	2.6
131.08568	6.4
133.10147	10.2
135.11679	53.2
137.09630	2.3
139.11130	1.6
145.10121	4.9
147.11682	6.5
149.13266	16.5
151.11163	8.1
159.11682	3.3
161.13229	5.1
163.11137	6.1
163.14859	4.2
167.10651	3.4
171.11693	2.8
177.12663	2.1
179.12965	1.8
179.14267	11.7
179.61469	1.7
190.13579	1.7
195.13829	3.5
207.13841	1.7
221.15326	5.7
241.19427	2.9
259.20612	5.3
277.21616	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03930	5.0
55.05510	19.4
55.33403	1.5
57.07056	3.0
65.03901	1.3
67.05505	33.9
69.07064	15.1
69.30547	7.8
69.30972	6.2
71.04987	1.8
77.03950	1.4
78.44373	1.5
79.05495	80.8
80.05794	1.3
81.07059	35.2
83.04968	3.1
83.08625	7.3
87.92805	1.4
91.05482	28.3
93.07047	100.0
94.07359	2.1
95.04980	10.8
95.08611	24.8
97.10177	4.8
102.42078	1.3
105.04490	1.5
105.07036	18.5
107.08598	56.4
109.06504	3.0
109.10167	12.2
117.07001	3.1
119.08572	11.5
121.10149	42.6
123.11694	2.9
129.07001	2.3
131.08562	4.9
133.10130	13.4
135.11696	50.6
137.09659	2.1
142.79453	1.2
145.10147	3.6
147.11682	6.9
149.09634	2.4
149.13249	24.2
157.10118	2.7
159.11731	2.3
161.13268	4.7
163.11232	2.0
163.14857	5.0
171.11674	1.5
173.13254	1.8
175.14801	2.2
177.12755	2.3
185.13336	1.8
189.12843	1.4
193.12184	1.5
195.13811	1.9
195.89462	1.3
199.14838	2.3
213.16330	2.4
221.15337	3.1
235.16939	3.6
241.19559	1.9
247.43575	1.2
259.20511	2.4
264.96036	1.9
277.21628	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.01068	1.1
51.02361	2.2
53.03933	3.9
53.20792	1.4
55.05510	20.0
57.07064	2.1
65.03953	1.5
67.05504	37.3
69.07064	15.1
71.04984	2.8
77.03915	1.4
79.05492	81.5
81.07060	42.4
83.04968	1.6
83.08608	7.4
83.86599	1.2
85.06539	2.5
91.05476	31.1
93.07042	100.0
95.04977	8.9
95.08051	2.3
95.08604	29.3
97.06506	1.5
97.10159	5.8
98.20733	4.0
100.47729	1.3
100.49147	1.2
105.04544	2.1
105.07031	17.9
107.08591	56.3
109.06462	2.0
109.10152	16.1
117.07012	1.7
119.08578	11.6
121.10145	45.5
123.08061	1.4
123.11690	4.1
129.06996	1.8
131.08545	5.7
133.10133	13.3
135.08041	1.8
135.11687	64.0
143.08530	2.6
145.10129	4.1
147.11694	8.0
149.09547	2.4
149.13269	31.9
157.10168	1.6
159.11667	3.3
161.09631	1.3
161.13281	5.1
163.11125	1.5
163.14760	7.6
171.11670	2.0
173.13237	2.3
175.14873	2.1
181.12279	1.6
185.13277	2.0
193.12259	1.8
195.13824	3.4
207.13818	3.2
209.15294	1.5
213.16344	2.3
217.15942	2.0
221.15329	4.1
229.37988	1.4
235.16881	3.9
241.19521	2.8
259.20621	2.3
261.64258	1.2
272.03586	1.4
277.21609	62.2
278.21927	1.4
295.73560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02369	2.1
53.03934	5.9
55.01856	4.4
55.05513	24.8
55.07359	1.4
57.03428	2.8
57.07074	13.5
65.03918	1.9
66.60696	1.6
67.05505	49.6
69.03413	1.7
69.06731	1.5
69.07067	21.8
70.40575	5.6
71.04989	8.7
71.08638	7.1
79.05493	56.9
81.02975	1.8
81.03423	17.8
81.06588	2.5
81.07058	50.4
83.04979	4.6
83.08608	7.0
85.06543	8.9
91.05481	32.3
93.07044	84.8
95.04970	77.9
95.08057	2.2
95.08609	29.8
97.04739	1.5
97.06519	5.9
97.10146	4.5
98.20703	1.2
99.08082	4.3
105.07037	21.5
107.04955	2.9
107.08593	31.6
109.06498	8.2
109.10145	11.9
111.08040	1.6
117.06990	5.3
119.08556	14.6
121.06495	4.0
121.10142	27.9
123.08048	6.0
123.11714	6.9
129.07021	3.4
131.08565	8.0
133.10123	15.2
135.08084	2.6
135.11693	23.0
137.09584	9.0
139.11191	1.6
143.08542	3.0
145.10133	5.6
147.08102	2.4
147.11674	9.2
149.09622	2.4
149.13295	13.7
151.11179	35.0
157.10086	2.5
159.11678	6.1
161.13266	7.9
162.53448	1.5
163.11176	5.2
163.14827	2.1
165.12724	2.6
171.11702	2.7
173.13287	2.9
175.11218	2.5
175.14836	2.2
177.12704	1.9
179.14380	1.9
185.13225	5.1
193.15900	2.9
195.13696	1.4
199.14871	1.8
207.13852	1.7
221.15361	15.4
235.17041	3.4
241.19501	3.8
249.22055	3.1
259.20529	7.4
277.21628	100.0
278.21954	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	6.6
55.01875	13.7
55.05514	39.0
57.03408	3.3
57.06835	2.0
57.07077	27.2
64.58582	2.0
65.03927	3.9
67.05507	63.0
69.03414	4.1
69.07065	26.1
71.04984	7.9
71.08277	3.2
71.08677	14.0
79.05492	70.5
80.05822	3.0
81.03399	6.2
81.06581	3.7
81.07056	59.9
81.49385	2.5
83.04963	4.3
83.08619	13.6
85.06533	4.9
85.10214	2.7
91.04971	3.4
91.05488	41.1
93.07043	93.5
93.07632	4.9
95.04974	23.7
95.08608	39.9
97.06512	8.8
97.10143	5.5
99.08102	10.4
105.07034	27.0
107.04943	7.3
107.08595	45.0
109.06517	6.5
109.10151	19.2
111.08069	10.6
113.09627	2.6
117.07020	8.1
119.08598	22.4
121.02868	8.3
121.06483	5.3
121.10146	28.6
123.08042	5.3
123.11689	6.9
125.09622	4.9
129.06984	7.5
131.08559	9.7
133.06482	3.9
133.10118	23.4
135.08060	7.1
135.11696	30.3
137.05962	2.5
137.09599	6.7
143.08594	6.3
145.10074	7.9
147.07970	2.5
147.11716	13.9
149.02341	100.0
149.09631	6.7
149.13246	14.4
151.11183	8.0
153.12743	3.2
157.10155	3.3
159.11650	6.0
161.05986	2.3
161.09589	4.4
161.13263	11.1
163.11195	10.8
163.14810	5.9
165.12743	4.8
171.11656	6.4
173.13289	4.4
175.07559	7.1
175.11151	3.4
175.14809	7.3
179.10757	4.6
179.14316	4.4
185.13300	6.1
189.12811	3.4
199.14731	3.1
203.07066	7.2
207.13762	2.3
213.08975	2.3
217.16014	3.3
217.19516	3.5
221.15358	5.2
231.21107	3.8
235.16899	15.0
241.19531	7.8
249.22038	4.3
255.14496	2.5
259.20609	14.1
277.08704	2.9
277.18130	10.8
277.21619	94.4
278.21906	2.2
289.19992	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	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03932	7.4
55.01874	10.5
55.05507	21.1
60.32016	2.3
67.05177	3.9
67.05504	47.3
67.55210	2.0
69.07066	21.1
69.60997	8.7
69.61426	9.1
71.04979	5.4
71.08609	6.8
79.05492	55.3
80.09040	2.1
81.03391	5.4
81.07058	54.1
83.04958	3.4
83.08617	11.2
85.06526	2.8
91.05476	29.7
93.07042	85.6
95.04975	12.9
95.08607	29.3
97.06520	5.1
97.10143	3.9
99.08078	5.4
103.79475	2.4
105.07023	21.7
107.04955	6.5
107.08591	45.4
109.06519	4.9
109.10143	13.7
111.08074	8.0
117.07003	6.1
119.08578	20.5
121.06483	3.6
121.10142	22.5
123.11660	3.3
125.09576	2.5
129.07028	2.5
131.08569	6.1
133.10104	14.8
134.86018	2.4
135.11710	22.2
137.09610	3.2
143.08565	3.6
145.10114	6.7
147.11717	12.8
148.99019	2.0
149.09621	3.9
149.13248	16.1
151.11229	5.0
157.10141	2.6
159.11699	4.3
160.06937	2.0
161.09601	2.7
161.13246	8.6
163.11185	10.0
163.14830	7.7
163.40511	2.3
165.12805	4.0
170.05602	2.1
171.11543	5.3
175.11118	3.0
175.14813	4.2
177.12628	3.4
179.14366	3.6
185.13321	4.9
189.12758	3.6
193.12137	3.0
199.14728	2.0
217.19574	3.1
221.15411	4.3
234.14381	2.0
235.16846	5.0
240.41692	2.1
241.19594	6.0
259.20593	10.8
275.04581	2.1
277.21619	100.0
278.21826	4.1
290.81540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	22.4
55.01865	8.2
55.05266	2.8
55.05511	35.7
57.03427	3.6
57.07077	10.4
60.87069	1.4
63.42795	1.6
63.88082	1.5
65.03932	5.0
67.05506	85.9
69.03435	2.4
69.07069	45.3
69.35932	16.6
71.04997	4.2
71.08634	16.5
79.05495	72.9
80.33294	1.7
81.03419	58.2
81.07058	77.4
83.04978	21.5
83.08624	13.4
85.06535	5.5
85.10152	3.2
91.05480	49.4
93.07046	86.4
95.04971	52.9
95.08609	36.0
97.06516	6.9
97.10172	8.5
99.08087	10.4
105.07029	37.4
107.04971	2.2
107.07864	2.9
107.08591	44.0
108.05811	1.8
109.06510	12.1
109.10154	21.3
111.08086	3.9
117.07013	5.3
119.08569	25.1
121.06493	5.0
121.10151	22.1
123.08088	5.3
123.11680	7.8
125.09638	7.2
129.07008	5.4
131.08594	8.3
133.06488	1.8
133.10124	29.2
135.08070	6.2
135.11705	22.2
137.09653	2.2
137.13203	2.0
143.08554	3.0
145.10109	5.4
147.08018	3.2
147.11694	19.3
149.09624	3.1
149.13255	12.9
151.11180	36.5
152.43114	1.7
153.09088	2.5
157.10205	3.8
159.11731	2.7
161.09576	2.9
161.13269	12.1
163.11258	2.9
163.14819	5.4
165.09109	1.6
165.12750	18.4
167.10666	2.0
171.11661	6.5
173.13165	2.5
175.11284	4.0
175.14815	7.1
177.12744	4.0
179.10713	2.7
179.14359	9.1
185.13248	2.6
189.12816	4.2
193.12317	4.5
199.14761	2.2
207.13777	5.7
217.19504	6.2
221.15367	2.8
231.21063	11.3
235.16899	8.9
241.19452	3.4
249.22131	5.1
259.20532	11.6
277.18375	4.9
277.21625	100.0
278.22189	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	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03934	1.4
55.01869	11.8
55.05513	7.2
56.96561	2.7
57.07077	4.7
67.05502	13.1
69.03402	1.0
69.06793	0.6
69.07070	7.8
70.10693	1.4
70.11107	3.1
71.04982	1.3
71.08621	1.6
75.27029	0.7
79.05489	19.2
79.39037	0.7
80.45638	0.8
80.82318	0.6
81.07057	46.5
82.07369	0.7
83.04967	2.1
83.08614	3.1
85.06535	0.9
91.05476	10.0
93.07047	17.9
95.04986	5.0
95.08600	9.3
97.06534	2.0
99.08092	1.6
105.07018	9.5
107.04980	1.3
107.08602	12.2
109.06509	15.2
109.10143	4.9
111.04435	12.3
111.08052	1.5
117.07010	1.6
119.08579	7.1
120.08829	0.7
121.06534	0.8
121.10142	8.4
123.08055	2.9
123.11707	2.1
125.05994	3.4
131.08569	2.5
133.10146	5.1
135.08076	3.0
135.11713	8.3
137.05975	100.0
137.13242	1.2
143.08545	2.2
145.10141	2.3
146.07242	0.8
147.08052	1.5
147.11679	4.8
149.09634	3.9
149.13278	4.2
151.07579	3.0
151.11165	1.7
157.10103	1.7
159.11632	0.8
161.09622	5.6
161.13257	2.9
163.11185	2.3
163.14806	1.5
165.09120	2.3
165.12813	1.2
171.11702	1.9
175.02831	2.7
175.11237	4.1
175.14809	1.6
177.12790	1.2
179.10670	2.1
185.13095	0.8
189.12773	1.3
193.03830	2.6
193.12236	1.5
195.13919	0.8
203.17906	3.4
207.13791	1.0
213.16414	1.7
221.15381	1.1
221.19037	1.1
223.14626	0.8
230.50403	0.7
231.17439	4.1
235.16904	4.4
241.15845	0.8
241.19499	0.9
249.18480	1.6
259.20285	1.0
268.63480	0.7
269.29401	0.7
277.17969	5.3
277.21472	11.9
288.78128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82512	0.5
57.65069	0.7
71.57663	1.1
90.91922	0.7
94.06571	0.7
101.00869	1.2
101.08323	0.7
108.42987	0.6
119.01925	4.8
131.01877	0.9
133.03503	1.1
138.05508	2.1
145.03450	1.6
151.04462	0.6
161.02968	2.7
171.83284	0.7
173.02992	1.0
185.02928	0.8
187.04434	0.9
229.87550	0.6
245.05132	0.9
277.08954	100.0
278.09189	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1795
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
52.46443	0.7
52.55642	0.6
53.03939	2.5
55.01865	11.1
55.05513	7.3
56.96550	3.0
57.07078	4.7
58.07402	1.3
65.19731	0.7
67.05510	13.3
67.27505	0.9
69.03424	1.2
69.07069	6.9
70.06575	2.9
71.04989	0.9
71.06919	1.0
71.08631	1.2
79.05489	21.3
80.05827	1.2
81.07056	49.7
81.66702	0.8
82.07361	1.2
83.04959	3.1
83.08607	2.9
85.06558	0.8
88.07627	1.9
89.07967	1.1
91.05485	9.5
92.05774	0.8
93.07043	20.5
95.04979	4.2
95.08615	11.2
97.06519	1.2
97.10176	1.0
97.70791	0.8
98.11388	0.7
98.97566	2.8
102.65141	0.7
105.07028	7.8
107.04915	1.0
107.08578	13.4
109.06520	15.5
109.09483	0.8
109.10152	5.4
111.04443	12.5
111.07993	1.2
116.98619	2.8
117.06989	2.5
119.08599	7.6
121.06474	1.0
121.09344	0.8
121.10146	10.6
123.08085	1.7
123.11673	1.6
125.06016	4.3
125.09605	1.4
129.06979	0.8
131.00197	0.9
131.08556	3.0
133.10098	5.8
134.10449	0.9
134.99681	1.9
135.08023	2.4
135.11694	10.1
137.05974	100.0
138.06303	2.2
143.08588	1.6
145.10126	3.1
147.08054	1.5
147.11653	6.4
149.01201	2.5
149.09602	3.4
149.13315	4.6
151.07539	2.9
151.11177	1.6
153.09055	0.9
157.10095	2.2
158.99580	1.0
159.11713	2.1
161.09651	5.4
161.13268	2.2
163.11150	2.6
163.14777	1.8
165.09128	1.9
171.11690	2.1
173.13300	1.5
175.11139	4.6
175.14792	1.8
177.00723	2.4
177.12779	1.3
178.01051	0.9
179.10684	2.7
185.13261	1.7
189.12740	1.5
193.12299	1.4
199.14885	1.3
203.17882	4.5
213.16380	2.2
221.19043	1.7
231.17535	4.5
235.16931	3.2
241.15833	1.6
249.18507	2.5
259.20282	0.8
259.27249	1.6
277.17975	6.2
277.21497	11.8
277.28278	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	0.8
57.07063	2.2
67.05464	0.9
69.34541	5.8
69.34946	1.2
73.76372	0.7
75.44450	0.8
77.05040	0.8
81.07065	0.9
84.04495	2.0
84.08131	2.6
85.02902	0.9
91.05477	0.8
97.02887	2.9
115.02320	0.6
115.03773	0.9
119.01895	2.5
121.01658	1.3
132.95865	0.7
133.03427	0.8
137.02951	1.0
139.02719	1.1
155.01894	0.8
161.02963	1.9
161.64839	0.6
173.02986	0.8
176.72736	0.7
211.40442	0.8
213.12564	0.7
235.16911	3.4
277.08942	100.0
277.17709	4.3
277.34952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50595	1.4
69.62607	11.0
98.20789	3.2
101.00905	5.2
119.01912	16.2
120.40144	1.5
131.01923	4.1
133.03506	2.4
137.02969	2.3
143.01883	3.2
145.03484	3.4
155.01880	2.9
157.03542	1.4
161.03000	10.2
173.02937	3.4
175.04550	2.7
185.02971	4.9
187.04570	3.5
197.03004	1.8
245.05148	5.0
277.09000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	13.7
57.07074	5.8
70.84761	12.5
81.07078	6.2
98.97581	78.9
101.00873	9.0
104.98627	4.8
106.72106	6.0
116.98620	98.2
119.01920	53.3
121.01680	6.5
124.53229	5.3
134.99646	71.6
137.02945	21.4
153.00766	15.1
157.03456	10.9
161.02934	22.3
163.03856	56.5
173.02995	7.3
175.04524	14.7
177.00850	26.3
179.00749	12.6
185.02989	7.6
189.04207	6.2
197.00505	6.4
199.53026	6.0
203.04239	8.6
210.95946	9.3
219.02042	37.9
221.01714	9.4
234.99883	5.1
235.16943	20.7
236.99684	6.7
252.97029	5.9
258.99673	45.6
261.03101	7.0
276.97055	15.5
277.00793	100.0
277.05176	8.2
277.07751	17.3
277.17868	13.0
294.98123	14.0
295.08963	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.29793	0.9
50.77900	1.1
53.03936	2.5
55.01867	4.0
55.05514	18.6
56.32496	1.1
57.03422	3.9
59.04985	1.0
65.03933	1.7
67.05502	27.9
69.03411	1.8
69.07068	12.9
69.93641	6.5
71.04980	3.3
79.05488	29.4
81.07053	34.2
81.49451	1.1
83.04969	3.0
83.08617	4.3
83.84921	1.0
85.06548	2.7
91.05476	44.6
93.06467	2.0
93.07038	26.7
95.04964	5.8
95.08602	17.7
97.06512	3.9
97.10149	2.2
103.05460	2.5
105.07029	54.4
106.07380	1.8
107.04953	8.8
107.08597	19.3
109.06506	6.3
109.10152	8.2
111.08083	1.7
116.06284	1.1
117.07010	14.4
118.80939	1.0
119.08578	47.4
121.06517	5.3
121.10147	11.8
123.08081	3.9
123.11675	1.8
125.09599	2.0
129.06975	4.9
131.08575	18.9
133.06496	2.8
133.10126	39.1
135.08067	7.5
135.11687	6.1
136.22331	1.3
137.09613	3.0
141.06924	1.7
143.08603	2.3
145.10120	14.7
147.08075	2.7
147.11693	21.7
149.09599	10.5
149.13281	1.5
151.11208	2.3
155.08551	2.0
157.10144	3.7
159.11693	10.8
161.09653	3.0
161.13257	7.7
163.11171	6.0
165.12729	1.7
169.10110	3.0
171.11656	2.0
173.13258	5.9
174.04390	1.3
175.11191	2.7
175.14812	2.0
177.12787	1.5
183.11659	2.5
185.13277	2.5
190.24179	1.1
197.13344	2.7
199.14687	1.8
201.12683	1.4
201.16380	1.5
213.16347	1.0
219.17499	1.7
229.19482	3.5
233.18983	1.4
239.17883	3.2
247.20587	6.7
257.19101	10.0
266.13406	1.1
275.20056	100.0
276.20441	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	2.3
55.01861	4.5
55.05266	1.4
55.05510	20.3
57.03198	1.3
57.03439	16.9
59.00873	0.9
65.03941	2.5
67.05505	36.2
69.03423	1.9
69.07065	11.4
70.33817	4.2
71.04973	3.3
79.05071	2.0
79.05495	33.9
81.03442	1.0
81.07053	26.3
81.69691	1.0
81.70188	1.0
83.04960	3.4
83.08630	7.3
85.02858	1.1
85.06535	2.9
90.38723	1.0
91.05479	63.1
91.24580	0.9
93.06482	1.8
93.07047	30.7
93.07628	2.1
95.04964	4.9
95.08608	15.9
97.06536	1.8
97.10148	4.6
103.05483	2.1
105.07028	59.6
107.04938	3.3
107.08599	17.8
109.06521	3.4
109.10153	12.3
111.08036	1.3
115.05453	2.3
117.07034	19.2
119.08582	31.0
120.44639	1.1
121.06485	2.0
121.10139	14.5
123.08065	1.4
123.11698	2.8
125.09624	2.3
129.06998	4.4
131.08575	27.1
133.10138	34.9
135.08043	6.5
135.11659	3.0
137.09589	1.6
141.06976	1.8
143.07617	1.0
143.08539	5.9
145.10114	15.9
147.08044	2.0
147.11681	20.0
149.09625	15.3
149.13339	1.3
155.08539	2.4
157.10092	4.2
159.11713	9.6
161.09653	1.6
161.13266	4.3
163.11263	5.2
169.10121	1.7
171.11668	3.5
173.11887	1.3
173.13298	3.8
175.11197	1.4
183.11711	3.7
185.13246	4.1
187.11092	1.4
197.13199	2.9
201.12900	1.0
201.16383	5.1
215.14253	1.0
219.17453	6.1
229.19531	2.3
239.17946	4.1
247.20555	1.9
257.19040	9.6
275.20062	100.0
276.20370	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	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01866	1.9
55.05259	1.5
55.05508	15.1
57.03424	1.4
57.07057	3.8
60.32483	1.3
65.03942	1.4
67.05499	16.0
67.63187	1.5
69.07063	8.3
69.94186	7.2
70.06579	4.4
71.04971	3.4
71.08628	3.1
79.05490	18.4
81.07053	19.9
83.04955	2.0
83.08610	7.3
85.06486	1.3
88.07623	5.5
91.05477	43.0
93.07043	15.6
95.04959	3.5
95.08613	12.4
97.06515	2.4
97.10159	2.6
98.20898	1.8
99.08075	2.3
103.05433	2.0
105.07030	73.2
106.08641	1.8
107.04933	3.1
107.08575	13.4
109.06521	3.2
109.10157	5.6
111.52441	1.1
117.07011	11.9
119.08578	36.9
121.06508	3.6
121.10179	6.0
123.08088	1.3
123.11698	2.3
125.09569	2.3
129.06969	2.5
130.79099	1.2
131.08551	12.0
133.09099	2.1
133.10123	42.8
135.08006	1.9
135.11679	3.6
143.08502	3.4
145.10117	23.2
147.11681	31.8
149.09605	3.8
149.13243	1.5
157.10106	3.1
159.10590	1.1
159.11723	7.7
161.13290	6.7
163.11191	2.6
171.11699	3.0
173.13194	2.4
175.11253	1.7
177.12648	1.5
181.72922	1.5
183.11716	2.4
185.13211	2.2
193.57974	1.4
197.13271	1.2
229.19450	1.8
239.17978	4.8
247.20598	2.0
257.18942	11.2
257.26715	2.7
275.20062	100.0
275.27734	39.0
276.20499	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	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01855	6.6
55.05513	21.8
57.03420	3.1
57.07071	2.1
57.36865	1.4
59.04967	1.7
65.03922	1.8
67.05176	2.4
67.05503	37.0
69.07063	17.9
69.36005	15.6
71.04985	4.1
79.05068	2.3
79.05489	35.3
81.03406	1.6
81.07055	39.3
83.04975	4.8
83.08596	4.9
85.06480	2.6
91.05479	58.2
93.07037	31.4
95.04949	7.9
95.08599	23.1
97.06514	5.5
97.10136	3.2
103.05407	1.6
105.07028	71.5
107.04961	9.6
107.08591	21.2
109.06509	7.7
109.10171	9.5
111.08056	2.8
115.05391	1.8
117.07019	16.1
119.08580	51.2
121.06485	8.4
121.10144	16.6
122.02083	1.5
123.08070	4.9
123.11681	3.2
123.48071	1.7
125.09620	1.6
128.06245	2.5
129.06990	3.2
131.08574	24.2
133.06461	3.0
133.10126	50.8
135.08031	12.2
135.11714	7.9
137.09595	5.8
143.08554	5.3
145.10120	19.2
147.08054	5.3
147.11674	20.9
149.09605	12.0
149.13263	2.3
151.11162	4.3
155.08488	2.3
157.10110	5.6
159.08057	2.1
159.11697	10.5
161.09599	5.4
161.13223	7.4
163.11162	8.8
169.10085	3.3
173.13217	8.0
175.11188	4.0
177.12704	1.8
177.43365	1.5
183.11713	1.9
185.13193	2.1
187.11131	2.1
187.14737	2.2
189.12762	2.7
191.14331	2.8
197.13280	3.3
201.16370	1.8
215.17763	1.6
229.19589	4.4
233.19057	1.9
239.17921	4.6
247.20523	10.0
257.18994	11.9
275.20047	100.0
276.20395	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	2.8
55.01862	2.9
55.05509	16.8
57.03435	1.5
57.07054	2.4
65.03920	1.9
67.05174	2.3
67.05505	31.1
67.74146	1.2
69.07065	11.1
69.66605	10.0
71.04975	2.5
79.05494	36.1
81.07053	22.2
83.04974	1.6
83.08604	4.8
85.06532	1.5
91.05478	58.2
92.05789	1.6
93.07045	25.1
94.45731	1.2
95.04955	4.6
95.08600	16.0
97.10152	1.8
98.21420	2.6
103.05453	2.0
105.07030	69.2
107.04945	3.9
107.08606	11.7
109.06499	4.2
109.10143	8.0
111.08081	1.5
112.94181	1.2
117.07008	19.5
119.08578	52.5
121.06536	5.7
121.07287	1.1
121.10146	10.4
123.08043	2.1
123.11647	2.3
128.06194	1.4
129.06998	3.2
131.08568	21.0
133.06525	1.5
133.10124	45.4
135.08055	3.5
135.11700	4.4
137.09557	2.9
143.08560	2.1
145.10115	11.3
147.08041	1.6
147.11682	26.1
149.09608	7.6
149.13322	1.4
151.11096	2.0
157.10139	3.1
159.11674	11.6
161.13240	9.1
163.11253	1.7
165.12830	1.5
165.54828	1.6
168.09329	1.3
169.10126	3.0
171.11761	2.4
173.13292	9.2
175.11136	2.0
175.14812	1.7
177.12752	2.0
187.11220	2.2
187.14748	2.1
197.13206	2.9
201.12750	1.6
229.19566	2.9
233.15474	1.4
239.17972	4.0
247.20578	4.0
257.19052	6.6
275.20053	100.0
276.20401	2.6
291.54242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.82045	1.3
53.03936	3.9
55.01666	1.2
55.01870	13.6
55.05511	25.9
57.03418	4.2
62.58826	1.4
65.03926	2.2
67.05500	31.6
69.07068	17.6
70.72919	2.6
70.73267	3.4
71.04974	3.4
79.05486	39.2
81.03422	2.2
81.06588	2.2
81.07055	40.7
83.04964	2.2
83.08596	6.5
85.06545	1.7
91.05477	62.0
93.07034	30.5
95.04962	7.3
95.08605	14.9
97.06522	15.9
97.10149	5.3
103.05467	2.7
105.07026	98.2
106.07368	2.0
107.04961	16.1
107.08591	26.3
109.06504	3.6
109.10164	10.8
111.07983	1.6
117.07011	16.7
119.08572	51.3
120.61040	1.5
121.06505	2.7
121.10126	10.5
123.08069	2.7
123.11693	2.5
125.09633	4.2
129.06995	2.9
131.08562	23.8
133.04019	1.4
133.06497	1.9
133.10126	59.1
135.08022	4.5
135.11665	4.7
137.09602	2.5
143.08568	3.1
145.06496	1.4
145.10117	19.3
147.11682	25.6
149.09604	19.5
151.11156	1.9
155.08536	2.3
157.10117	4.1
159.11668	10.7
161.09657	2.1
161.13239	5.3
163.11192	3.9
165.09149	1.6
169.10078	3.1
171.11644	3.0
173.11787	2.0
173.13245	4.4
183.11707	1.7
187.11188	2.1
197.13190	2.8
219.17430	6.9
229.19464	3.2
247.20512	2.2
257.18967	12.7
275.20053	100.0
276.20450	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	6.6
55.01876	15.1
55.05507	23.1
57.03439	2.8
57.07060	3.6
65.03934	2.1
67.05503	35.2
69.03433	4.0
69.07065	15.1
69.32761	2.0
69.33082	20.5
70.06580	2.1
71.04992	4.7
73.77191	1.8
79.05496	41.4
79.05951	2.2
81.03400	6.9
81.07056	36.4
83.04964	6.3
83.08611	8.4
85.06520	4.0
91.05478	63.1
93.07040	36.5
95.04981	15.0
95.08601	24.9
97.06516	8.2
97.10170	3.5
103.05452	4.3
105.07034	66.0
107.04945	15.6
107.08592	23.4
109.06522	12.4
109.10150	12.9
111.08018	3.9
115.05444	3.8
117.07011	19.0
119.08578	43.3
121.06509	12.8
121.10158	12.6
121.86109	1.9
123.08048	8.1
123.11685	2.3
125.09645	12.3
129.07013	4.3
131.08566	25.6
133.06476	3.1
133.10126	32.1
135.08047	13.7
135.11746	4.3
137.09616	13.3
141.06982	2.3
143.08534	3.2
145.06516	3.5
145.10124	22.7
147.08080	4.6
147.11688	21.2
149.09634	9.8
149.13271	3.3
151.11157	6.8
155.08592	2.8
157.10086	2.5
159.11684	12.5
161.09599	3.9
161.13268	5.7
163.11246	9.8
165.09079	3.2
165.12738	3.8
169.10086	4.0
171.11682	4.6
173.09613	2.5
173.13300	8.9
175.11211	4.5
177.12773	9.7
183.11685	5.4
187.11288	3.0
187.14842	3.5
191.14282	5.6
193.12201	3.5
197.13329	2.0
201.12744	5.3
215.14311	2.4
215.17987	3.6
219.13857	2.2
229.19504	7.5
239.17998	5.9
247.20563	4.7
257.19022	19.5
275.20068	100.0
275.27682	10.6
276.20502	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
54.78709	1.5
55.01868	10.6
55.05272	2.3
55.05509	33.4
57.03410	2.8
57.07073	2.0
65.03930	3.3
67.05177	2.6
67.05503	40.4
68.78548	1.4
69.07069	10.0
70.14036	6.4
71.04990	4.6
79.05489	58.7
79.62623	1.6
81.07054	31.8
83.04967	3.9
83.08607	8.8
85.06501	1.8
91.05475	55.2
93.07038	32.4
94.18534	1.8
95.04966	9.0
95.08591	15.0
97.06510	6.0
97.10180	4.3
105.07029	67.2
107.04945	28.9
107.08592	33.1
109.06480	3.2
109.10151	15.2
111.03646	1.8
111.08071	2.4
115.05408	2.3
117.07029	17.4
119.08574	45.1
121.06490	5.6
121.10139	13.0
123.11694	6.0
125.09608	7.1
129.07002	3.9
131.08575	21.6
132.18680	1.6
133.10126	44.6
135.08032	6.4
135.11690	4.0
137.09608	4.1
141.06973	3.7
143.08543	3.1
145.10130	14.4
147.11674	25.3
149.09613	46.5
151.11116	2.0
157.10049	1.7
159.11678	13.3
161.13272	9.5
163.11217	5.0
165.09167	1.6
169.10121	2.0
171.11612	2.2
173.11809	2.6
173.13246	6.0
183.11713	2.0
191.83211	1.9
197.13326	3.2
210.39645	2.0
215.17911	2.3
219.55441	2.0
229.19518	9.5
233.15463	1.7
239.17958	5.4
257.19064	12.9
270.29453	2.0
275.20041	100.0
276.20410	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02380	1.0
53.03934	3.5
55.01868	3.1
55.05513	12.0
57.03437	2.1
57.07069	1.5
65.03947	2.2
66.51508	1.0
67.05176	1.3
67.05502	20.2
69.07073	11.9
69.66477	4.7
69.66885	1.6
71.04993	2.2
71.08627	2.2
76.18047	1.0
79.05068	1.6
79.05495	24.3
81.07058	19.8
83.04976	3.6
83.08604	4.6
85.06540	1.4
91.05482	35.9
93.07043	22.5
95.04974	6.5
95.08610	14.7
95.09182	1.7
97.06527	3.4
97.10162	2.9
99.08112	1.9
103.05477	2.1
105.07029	43.9
107.04958	14.3
107.08589	14.7
109.06523	2.8
109.10142	5.3
111.08083	2.2
115.05438	1.7
117.07015	12.1
119.08575	31.4
121.06512	10.5
121.10120	6.5
123.08062	2.9
123.11659	1.2
125.09641	0.9
128.79007	1.2
129.07001	2.5
131.08554	13.5
133.06477	2.2
133.09114	1.8
133.10127	25.7
135.08054	9.6
135.11682	2.9
137.05933	0.9
137.09631	2.2
141.07005	1.4
143.08563	3.1
145.06514	2.7
145.10121	11.0
147.08087	2.4
147.11691	15.1
149.09619	7.4
149.13271	1.2
151.11200	2.0
155.08514	1.7
157.10129	2.4
159.11697	7.2
161.09610	2.4
161.13281	5.9
163.11189	4.4
171.11691	1.9
171.69405	1.0
173.09651	1.8
173.13283	3.4
175.11163	1.5
177.12737	5.6
183.11642	1.9
185.13289	2.3
187.11238	1.8
189.12776	1.4
191.14435	1.6
196.50130	1.1
197.13210	1.5
201.12851	1.6
211.14951	1.4
219.13974	1.5
219.17374	1.4
229.19495	2.2
239.17896	3.7
247.20578	2.8
248.95370	1.1
257.19049	12.3
260.12796	2.4
275.20062	100.0
275.27890	3.0
276.15967	10.7
276.20419	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03941	3.8
55.01857	4.5
55.05513	23.9
56.02073	1.2
57.03431	4.2
57.07055	2.1
59.28225	1.5
59.48210	1.2
59.93541	1.3
64.76391	1.3
65.03907	1.9
66.07219	1.1
67.05503	33.2
67.84683	1.3
69.03411	2.2
69.07064	12.4
69.74142	7.1
71.04974	3.5
73.06544	1.6
79.05499	27.1
81.03414	1.9
81.07057	37.7
83.04967	2.9
83.08620	6.4
91.05481	60.3
93.06475	2.3
93.07043	32.6
95.04989	9.2
95.08607	21.3
97.06527	2.7
97.10194	1.5
97.63286	1.4
103.05455	3.4
104.06235	1.6
105.07032	76.4
107.04987	7.7
107.08586	19.3
109.06532	8.3
109.10148	7.8
115.05392	1.5
117.06997	13.3
119.08579	47.6
121.06528	4.4
121.10137	7.9
123.08067	8.0
123.11685	2.4
129.07019	3.3
131.08577	20.2
133.10133	56.5
135.08086	9.2
135.11694	6.2
137.09583	4.5
141.07043	1.5
143.08554	2.7
145.10112	17.1
147.08073	2.3
147.11685	23.5
149.09642	8.0
149.13152	1.6
151.11218	2.1
155.08548	2.1
157.10085	2.5
159.11714	12.1
161.09680	2.2
161.13252	6.8
163.11177	5.0
165.12926	1.4
169.10092	2.5
171.11681	3.2
173.13284	5.4
177.12842	1.9
183.11736	2.0
185.13271	2.7
197.13235	3.4
201.12708	1.6
201.16335	2.5
203.14301	2.4
229.19482	3.3
239.17961	4.3
247.20670	6.5
257.19040	9.9
261.77380	1.3
275.20071	100.0
275.27844	3.7
276.20508	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	2.6
55.01867	2.5
55.05511	15.3
57.03421	3.8
57.07039	1.5
63.19826	1.0
65.03931	1.8
67.05500	20.6
69.07064	13.0
70.33221	2.2
70.33614	1.9
71.04993	2.8
79.05492	22.1
81.03433	1.1
81.07056	31.8
83.04975	3.3
83.08607	4.7
85.06529	2.8
91.05475	41.6
93.07041	25.1
95.04946	4.6
95.08604	14.0
97.06516	3.2
103.05448	2.4
105.07024	52.9
106.07359	1.6
107.04958	5.9
107.08601	16.2
109.06525	9.7
109.10135	7.0
111.08081	1.9
117.07015	9.9
119.08575	36.7
121.06494	4.0
121.10127	8.9
123.08054	4.4
123.11680	2.0
125.09589	1.6
129.07019	3.3
131.08553	16.2
133.10126	33.3
135.08049	5.3
135.11691	5.4
137.09619	3.6
139.38893	0.9
141.06972	2.0
143.08568	3.1
145.10112	15.9
147.11690	21.5
149.09628	6.3
149.13257	2.7
155.08429	1.1
157.10155	3.4
159.11681	10.2
161.09592	2.3
161.13211	6.7
163.11197	3.8
169.10101	2.5
171.11676	4.0
173.09741	1.2
173.13235	7.6
175.11186	3.4
175.14732	2.1
177.12756	2.2
183.11642	3.3
185.13260	4.1
193.12158	1.3
197.13268	2.0
201.12854	1.6
201.16505	1.2
203.14304	3.4
211.14819	1.5
215.17938	2.1
219.13663	1.8
229.19472	2.9
239.17918	4.5
247.20526	4.1
257.18997	10.6
275.20047	100.0
275.27838	4.9
276.20380	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.1
55.01840	1.5
55.05513	16.1
57.03429	1.0
65.03933	1.5
67.05506	16.1
68.05526	1.1
69.07069	9.8
71.04980	2.6
79.05067	1.4
79.05489	17.8
81.07055	17.1
83.04918	1.2
83.08621	6.3
91.05479	48.4
91.60246	1.0
93.07040	13.4
95.04943	3.3
95.08601	11.8
97.06504	2.2
97.10156	2.0
98.06608	1.0
103.05433	2.6
105.07027	69.3
107.04919	2.0
107.08595	11.5
109.06490	1.9
109.10139	3.6
113.32967	1.1
117.07021	10.4
119.08579	35.3
121.06509	1.9
121.10112	5.3
125.09666	1.7
131.08565	16.3
133.10129	39.3
135.08041	2.1
135.11646	3.6
143.08527	2.8
145.10120	18.0
147.08057	1.4
147.11703	26.4
147.12888	0.8
149.09583	4.0
149.13156	1.6
155.08502	1.4
157.10097	2.5
159.11720	8.0
161.09550	1.2
161.13203	5.7
171.11670	4.0
172.99132	1.3
173.13231	4.3
175.11191	1.4
175.14859	1.1
183.11719	2.6
197.13219	1.2
201.12706	1.1
229.13969	1.1
229.19461	1.5
233.15276	1.3
239.17885	3.2
257.19003	10.7
275.20047	100.0
276.20493	1.6
279.14438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03926	1.2
55.01862	3.6
55.05266	1.2
55.05511	16.6
57.07073	2.5
65.76363	0.8
65.84628	0.7
67.05180	1.3
67.05505	20.0
69.07069	10.1
70.06586	2.5
70.14145	3.5
71.04974	2.2
79.05493	21.7
81.07054	20.5
83.04978	2.4
83.08608	6.2
84.63425	0.8
85.06529	1.5
88.07629	3.3
89.07980	1.1
91.05478	45.1
93.07040	18.6
94.23574	1.0
95.04959	3.3
95.08606	13.2
97.06551	2.5
97.10152	3.5
103.05457	1.7
103.52030	0.9
105.07027	68.8
106.07372	1.1
107.04939	2.8
107.08578	16.7
109.06496	3.0
109.10132	5.1
111.08076	1.5
117.07014	11.8
117.32784	1.0
119.08582	37.7
121.06484	2.6
121.10139	6.8
123.08037	1.1
125.09666	1.6
129.07004	1.5
131.08562	14.7
133.06451	1.2
133.10132	41.4
135.08072	3.7
135.11684	4.5
137.09598	1.1
141.06987	1.1
143.08571	2.2
145.10110	17.4
147.08028	1.3
147.11678	27.6
149.09610	7.0
155.08556	1.0
156.15646	0.8
157.10129	2.5
159.11697	9.3
161.09587	1.4
161.13257	5.8
163.11168	3.8
163.12367	0.8
169.10149	1.7
171.11658	4.0
173.13199	3.9
175.11127	1.0
175.14867	1.2
177.12706	1.9
183.11693	1.3
185.13210	1.0
187.11194	1.1
197.13269	2.6
200.05910	0.8
201.12755	1.3
211.14857	1.0
229.19464	1.0
236.46500	0.8
239.17984	4.2
241.25362	0.8
247.20560	1.6
250.83611	0.8
257.18988	10.6
257.26712	2.1
275.20050	100.0
275.27734	22.2
276.20383	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.71643	1.3
53.03935	1.8
55.01862	2.8
55.05511	16.2
57.03435	3.4
57.07075	2.8
58.84864	1.1
60.33649	1.3
65.03956	1.6
67.05505	21.4
69.03457	1.3
69.07074	14.4
70.06583	5.3
70.84117	2.6
71.04983	2.4
72.64178	1.1
79.05062	2.4
79.05493	32.0
79.54805	1.1
80.28384	1.2
81.03419	1.5
81.07059	24.1
81.45258	1.1
83.04964	4.4
83.08611	3.4
85.06539	1.9
88.07624	5.0
91.05483	47.6
93.07049	28.9
95.04964	7.1
95.08607	16.0
96.86593	1.2
97.06551	3.6
103.05444	2.8
105.07032	61.7
106.08677	2.7
107.04958	13.8
107.08575	18.1
107.09203	1.9
109.06532	3.1
109.10160	5.2
114.20779	1.5
115.05459	2.4
116.06215	1.3
117.07027	15.3
119.08578	40.4
121.06535	3.2
121.10136	10.1
123.08069	1.8
123.11736	2.2
129.06990	3.6
131.08580	18.0
133.06520	1.9
133.10133	37.4
133.11098	2.6
135.08055	13.9
135.11702	2.2
137.09688	1.4
143.08629	2.3
145.10126	12.2
147.11702	18.1
149.09633	6.6
157.10155	3.3
159.11725	8.0
161.13271	4.8
173.13293	3.0
175.14830	2.3
183.11684	1.8
185.05318	1.3
197.13232	1.6
207.13824	1.7
229.19379	1.7
239.17987	2.8
247.20654	2.1
252.50641	1.4
257.18973	8.5
257.26682	2.3
275.20071	100.0
275.27765	38.7
276.20453	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	275.2004
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03941	1.7
55.01862	2.9
55.05514	12.5
57.03421	3.9
57.07067	2.5
63.16460	0.9
65.03924	1.5
67.05170	1.7
67.05505	19.3
69.07066	13.9
70.06570	3.3
71.04978	2.4
71.08621	1.4
79.05489	21.0
81.03413	2.4
81.07053	23.0
83.04969	3.0
83.08616	3.3
85.06520	1.6
88.07618	4.7
91.05486	37.9
93.07042	23.9
94.78053	1.2
95.04981	5.3
95.08607	16.7
97.06499	4.2
97.10136	1.4
105.07032	48.4
106.08678	3.1
107.04953	10.4
107.08582	16.4
109.06461	2.0
109.10153	5.3
117.07011	9.5
118.07717	1.1
119.04918	1.2
119.08575	35.7
121.06474	3.7
121.10144	10.0
123.08072	2.7
123.11671	1.4
129.06973	2.2
131.08577	12.5
133.10129	32.0
135.08052	14.1
135.11661	2.9
143.08557	1.4
145.10132	11.1
147.08083	1.1
147.11696	13.5
148.29268	1.2
149.09665	6.0
151.11206	1.6
157.10132	2.6
159.11688	6.7
161.13264	4.2
163.11143	2.7
169.10127	1.9
171.11635	2.1
173.13229	2.9
183.11620	2.5
207.13853	1.1
211.14787	1.1
225.12816	1.0
239.17830	3.0
241.05612	1.3
247.20503	2.1
257.18997	8.6
257.26663	1.4
275.20056	100.0
275.27731	38.8
276.20410	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.57945	1.1
55.01869	2.8
55.05267	1.7
55.05510	16.4
57.03429	2.5
65.03914	1.7
67.05500	12.8
69.07068	7.6
69.79822	7.0
74.00626	1.1
77.49834	1.2
79.05490	14.2
81.07059	12.5
83.04967	1.5
83.08612	7.7
85.06531	2.0
91.05480	43.2
93.07043	13.4
95.04974	2.8
95.08616	9.6
97.10185	1.6
103.05443	2.6
105.07030	68.0
107.08578	9.5
109.10120	4.1
109.22888	1.2
114.18243	1.4
117.07014	10.0
119.08582	40.6
121.10143	4.1
129.06978	2.4
130.07680	1.3
131.08565	12.4
132.09372	2.0
133.10127	40.0
135.11655	1.6
143.08598	1.5
144.29260	1.5
145.10124	17.5
147.11687	34.8
149.09610	2.3
155.08487	1.5
157.10129	2.8
159.11703	11.6
161.13263	8.0
163.11238	1.4
171.11691	2.0
173.13260	3.6
175.14757	1.5
183.11682	2.7
185.13271	4.4
197.13173	1.7
203.14304	4.7
227.72211	1.3
228.89716	1.2
239.17935	3.8
257.18954	7.9
275.20065	100.0
276.20404	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03947	1.0
55.01865	2.6
55.05517	13.9
57.03431	2.7
57.94564	1.0
58.16598	1.0
67.05505	13.5
69.07070	7.6
79.05495	14.6
81.07057	15.2
81.38225	1.0
83.04978	1.2
83.08601	5.7
85.06538	1.7
85.85233	1.0
86.29620	1.0
91.05485	44.6
92.02633	1.1
92.43266	1.0
93.07046	15.8
95.04950	1.8
95.08601	13.0
96.94624	1.0
97.06541	2.0
97.10189	2.0
103.05462	1.1
105.07033	67.9
106.07359	1.1
107.04972	1.5
107.08590	10.9
109.06496	2.2
109.10155	4.2
117.07014	11.8
119.08588	37.7
121.06524	2.6
121.10139	4.6
121.77663	1.1
123.11692	1.1
129.06978	3.8
130.07811	1.1
131.08571	12.8
133.10129	34.4
135.08107	1.6
135.11687	2.0
141.07016	1.3
143.08592	3.0
145.10124	16.3
146.10693	1.1
147.11691	38.6
149.09598	3.9
155.08527	1.5
157.10094	3.4
159.01109	1.1
159.11699	11.3
161.09644	1.9
161.13246	7.8
163.11301	1.3
169.10199	1.6
171.11739	3.7
173.13275	4.6
175.11169	1.6
175.14746	1.1
183.11659	3.1
185.13281	4.9
203.14328	4.4
211.14766	1.4
219.17560	1.8
239.17934	3.9
257.18982	10.0
275.20056	100.0
276.20462	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	275.1641
Annotation	[6]-Dehydroshogaol
Peak:m/z	Relative Intensity
53.03936	4.1
55.01864	3.4
55.05497	8.0
57.07067	2.5
57.86376	2.1
65.25170	2.1
67.05482	15.4
67.76213	2.4
69.03436	12.7
69.07062	11.2
70.51316	4.9
70.51714	7.0
71.04995	27.7
79.05490	19.0
81.07052	34.4
83.04974	4.8
85.06509	2.2
87.04481	3.3
91.05485	17.1
93.07056	21.7
95.04948	10.4
95.08603	21.8
96.40898	2.5
97.06509	9.7
103.05464	5.3
105.07017	32.1
107.04951	34.3
107.08598	13.7
109.02867	7.2
109.06491	17.9
109.10164	13.9
111.04483	2.9
115.05450	6.6
117.07018	10.7
119.04945	4.5
119.08598	13.0
121.06527	17.6
121.10135	17.2
123.04393	5.0
123.08088	13.0
123.11673	6.8
123.88897	2.8
125.05985	10.9
125.09640	6.6
127.11222	2.9
128.06236	16.8
129.06998	7.1
130.07733	3.3
131.04918	3.8
131.08545	12.0
132.08157	2.2
133.06459	6.7
133.10123	16.1
135.04428	2.8
135.11694	4.7
137.05974	100.0
139.03902	4.9
139.11172	19.1
141.07016	3.7
143.08549	20.6
145.06422	8.0
145.10104	9.6
146.07268	8.3
147.04430	5.1
147.08026	10.5
147.09071	2.6
147.11746	4.2
149.05997	23.4
149.09586	5.4
151.03882	3.0
151.07515	20.4
151.11147	18.4
153.05466	42.0
154.07744	5.4
157.10121	4.6
159.08060	8.5
159.11693	18.1
161.05951	10.3
161.09607	34.8
163.07553	7.2
163.11205	3.4
165.05510	5.1
165.12682	4.6
168.94264	2.5
169.10109	10.2
171.08034	30.0
172.08833	3.8
173.05930	3.5
174.06747	17.8
175.07498	7.5
175.11206	5.7
177.09091	15.3
185.09641	4.7
187.07545	38.1
187.11174	32.0
189.07384	4.4
189.09093	88.8
190.12273	2.8
193.08585	3.5
197.09558	3.4
197.13200	3.0
201.09079	12.3
203.10686	5.1
205.07030	2.3
205.08568	11.7
205.12233	66.1
211.14763	3.1
215.10641	14.6
215.14302	4.0
219.10156	4.1
239.14294	9.6
242.13011	7.0
245.26920	2.3
257.15353	44.9
275.13461	3.1
275.16428	44.2
275.19800	4.3
275.23596	3.9
276.16052	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	275.1642
Annotation	[6]-Dehydroshogaol
Peak:m/z	Relative Intensity
53.00287	2.4
53.03945	3.6
55.05504	6.7
56.96561	3.1
67.05502	16.1
69.03425	16.5
69.07058	6.4
69.50168	20.0
71.04996	26.9
73.47919	2.2
79.05498	18.8
81.07056	34.0
83.04958	3.5
85.06551	2.7
86.09747	2.3
91.05480	22.3
93.07039	17.1
95.04959	9.9
95.08611	14.9
97.06527	5.9
99.08092	3.7
103.05452	5.7
105.07031	27.9
107.04954	20.1
107.08582	9.8
109.02865	9.7
109.06503	16.7
109.10156	16.0
111.04434	2.8
115.05457	6.4
116.06168	2.4
117.07026	7.9
119.04928	5.7
119.08562	10.2
121.06499	21.6
121.10144	10.7
123.04440	6.5
123.08073	11.1
123.11684	6.0
125.05979	10.0
125.09629	5.5
127.11169	4.2
128.06212	16.3
129.07030	5.7
131.04973	5.8
131.08586	9.7
133.06448	5.5
133.10153	13.2
135.04445	3.6
136.06253	3.9
137.05972	100.0
139.03903	22.8
139.11201	17.9
141.06960	3.3
142.07759	3.8
143.08574	18.5
144.05695	2.4
145.06522	5.7
145.10159	8.2
146.07265	7.4
147.04358	3.8
147.08064	7.7
149.05972	14.1
149.09576	2.5
151.03914	2.6
151.07573	17.2
151.11174	20.4
153.05482	32.7
154.07771	5.5
155.07039	4.5
155.08495	5.4
157.10030	2.8
157.64549	3.0
158.07283	4.1
159.08044	6.0
159.09232	2.9
159.11716	13.9
161.05954	6.9
161.09631	34.0
163.07547	7.1
163.11108	3.2
165.01840	3.9
165.12698	3.6
169.10165	12.0
171.08067	32.8
172.08772	2.8
173.09737	2.6
173.11719	5.6
174.06743	12.2
175.07536	6.2
175.11180	6.2
176.11916	3.1
177.09087	19.1
183.02730	2.3
185.09666	4.4
187.07552	41.7
187.11183	28.1
189.09105	81.2
191.07071	3.6
193.08650	4.6
193.12117	3.6
201.09123	9.7
203.10667	3.3
205.08736	3.6
205.10414	4.7
205.12253	69.5
211.14845	6.2
215.10712	16.1
215.14296	4.5
224.12215	2.4
229.05029	3.1
231.17574	2.9
239.14362	7.7
251.05554	2.5
257.15384	36.1
266.76031	2.2
275.05484	3.2
275.08670	2.2
275.13495	2.4
275.16431	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.164
Annotation	[6]-Dehydroshogaol
Peak:m/z	Relative Intensity
52.98465	2.3
53.03946	5.0
55.01876	6.0
55.05498	6.4
56.96555	3.5
57.07070	2.6
60.28770	2.3
67.05503	19.9
68.99808	3.1
69.03425	20.1
69.07055	5.5
70.83935	9.2
71.04979	28.2
72.03481	2.5
78.73024	2.8
79.05482	19.2
80.38618	2.4
81.07056	37.2
83.04977	5.6
91.05489	17.7
93.07024	17.8
95.04964	12.9
95.08595	16.7
97.06521	8.6
98.20787	3.0
98.97549	3.5
99.94757	3.4
101.00844	4.9
103.05441	7.0
105.07027	31.6
107.04952	40.9
107.08588	11.8
109.02889	8.2
109.06531	18.6
109.10161	15.3
111.04426	5.2
112.94390	2.5
115.05441	4.8
117.06989	9.8
119.01923	13.5
119.04942	3.4
119.08587	8.1
121.06491	24.2
121.10137	17.9
123.04452	13.3
123.08080	14.6
123.11720	7.1
125.05035	2.2
125.05991	11.1
125.09629	6.6
127.11254	5.1
128.06206	22.9
129.07037	5.7
131.01915	4.8
131.04936	7.0
131.08568	11.0
133.06508	8.9
133.10115	16.6
135.04404	6.3
135.07994	6.4
136.06183	2.8
137.02985	5.6
137.05969	100.0
139.03894	58.8
139.11137	14.7
141.07008	4.3
142.07780	4.2
143.08543	21.8
145.03470	7.2
145.06508	14.1
145.10118	7.7
146.07262	8.9
147.04445	5.2
147.08044	9.8
147.11655	3.1
149.05962	34.1
149.09595	3.1
151.07538	20.4
151.11212	16.1
153.05467	41.8
154.07736	4.9
155.07143	3.3
155.08559	4.3
157.06442	3.1
157.10089	3.9
158.07307	4.3
159.08069	7.5
159.11728	15.3
161.02960	3.6
161.05962	12.3
161.09619	36.1
163.07536	8.4
163.11197	4.2
165.12738	4.1
167.01935	4.5
169.10149	11.7
171.08046	28.0
173.02966	5.3
173.09563	3.5
173.11778	5.6
174.06773	18.7
175.07558	11.0
175.11217	5.2
177.09105	16.1
179.07059	3.4
185.02997	10.6
187.07515	45.6
187.11185	33.8
187.15192	4.5
189.09093	98.4
191.07056	4.8
193.08560	4.1
196.12590	2.5
197.09645	7.4
201.09122	11.6
203.03947	12.7
203.10713	5.1
205.08572	12.6
205.12234	72.3
207.10226	3.2
211.14769	2.7
215.07071	3.1
215.10698	19.3
215.14236	3.6
219.10106	5.1
239.14307	10.8
242.13045	5.5
257.15363	40.6
275.08875	3.1
275.13632	2.7
275.16403	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	275.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40186	0.6
56.96556	2.8
67.05472	0.7
69.03391	0.7
70.06583	0.7
70.95799	1.0
70.96118	1.0
73.47987	0.6
75.18462	0.7
81.03411	1.0
84.96068	0.7
95.04969	0.8
95.06091	0.6
98.97572	1.1
107.04916	0.7
111.67337	0.6
114.05530	1.3
116.98583	1.4
119.01906	2.5
123.04408	0.7
131.01889	0.7
132.09721	0.6
134.99684	1.2
137.02939	0.9
143.01917	1.0
145.03398	1.1
154.07245	1.4
157.06438	1.5
159.05106	0.6
161.03012	1.1
166.65401	0.7
185.05975	1.0
191.03525	0.8
213.05507	1.2
217.02155	0.6
217.04733	0.6
245.08160	1.1
275.11008	100.0
276.11270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02383	0.1
53.03937	0.6
55.05503	0.3
67.01883	0.3
67.05486	0.3
69.07053	0.3
69.61699	0.1
71.04585	0.4
71.04974	0.1
77.03938	0.2
79.05489	1.6
81.07033	0.3
85.02901	0.4
85.15029	0.2
88.18979	0.1
91.05470	0.7
93.07026	0.4
95.04969	1.4
95.08621	0.5
97.02905	0.1
105.07043	0.8
107.04951	100.0
108.05267	0.9
117.07008	0.2
119.08580	0.5
121.06501	0.3
121.10145	0.3
123.04417	0.5
123.08076	0.2
127.03912	1.2
131.08572	0.2
133.10126	0.5
137.06003	0.3
143.08589	0.2
145.10165	0.2
147.11685	0.2
149.05966	0.6
151.03888	1.9
159.11725	0.2
169.04965	10.3
173.05946	0.2
173.13351	0.2
181.05058	0.2
196.47794	0.1
257.15494	0.2
257.19089	0.2
275.09149	1.3
275.17032	0.2
275.19971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0912
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
50.20313	0.8
55.01855	2.6
55.88144	0.7
59.73709	0.6
60.05483	0.6
62.48363	0.7
65.03945	0.8
65.13966	0.7
67.05500	1.0
68.99773	1.5
70.16730	2.4
70.17146	1.1
79.05513	1.0
83.04976	1.8
91.05466	1.0
93.07024	0.8
95.04984	3.0
97.02877	0.7
99.12938	0.8
103.05462	3.8
107.04955	54.3
111.04438	3.4
117.07047	1.0
121.06500	5.5
127.03917	1.2
131.04935	2.7
133.06482	0.7
139.03903	100.0
139.28294	0.6
145.06490	9.2
149.05978	24.9
151.03773	0.7
153.05574	0.7
161.05977	1.6
163.07550	2.0
169.04959	2.0
173.06013	2.3
181.04939	0.8
191.07018	8.8
233.08139	1.2
244.93282	0.7
257.08243	1.3
275.09161	3.5
281.48257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32377	2.5
56.96561	19.6
64.68915	2.5
71.16576	5.7
72.74059	2.4
78.90749	2.2
84.86364	2.2
84.97890	2.1
89.29362	2.6
95.51154	2.4
98.97581	100.0
101.00893	3.1
116.98618	85.3
119.01928	13.8
131.96121	2.8
134.99657	44.6
135.00655	3.3
137.02979	3.3
142.03554	4.2
153.00713	5.1
177.00932	9.6
178.01233	2.9
187.04559	2.9
190.95387	9.0
208.96257	3.5
214.95497	2.7
219.02083	2.7
232.96390	7.3
234.99857	4.9
238.95889	2.7
248.46201	7.9
248.96065	7.0
249.99345	2.6
250.97311	7.5
251.46207	3.8
256.96490	24.8
257.22745	2.5
257.96628	7.9
258.96365	13.2
259.96915	6.6
260.46921	5.8
260.96970	3.9
261.03107	6.1
269.45346	2.7
274.97470	74.0
275.97693	5.3
276.97449	5.4
292.98517	64.3
297.99091	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05506	15.9
57.07075	8.0
67.05502	31.3
69.07069	47.0
70.06013	17.2
77.88708	2.6
79.05486	18.1
81.07058	92.3
83.08620	20.3
91.05464	14.9
92.09200	3.5
92.21183	3.7
93.07051	44.4
95.08606	94.0
97.10164	15.2
103.30308	2.9
105.07024	34.9
107.08598	52.3
109.10152	61.8
111.11733	6.2
112.13036	3.3
119.08588	30.1
121.10146	54.5
123.11705	36.7
133.10123	25.7
135.11682	37.6
137.13274	15.0
147.11697	24.8
149.13258	42.7
151.14828	9.0
161.13260	32.6
163.14825	31.5
175.14862	11.3
177.16388	19.9
189.16435	20.2
189.17900	3.7
191.17978	13.2
203.17926	18.5
209.19911	3.5
217.19464	27.7
254.48012	2.9
273.07813	3.3
273.10770	4.2
273.25778	100.0
274.26776	3.4
291.25058	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.01421	1.9
53.03939	3.0
55.01872	2.5
55.05514	11.3
57.03394	2.5
57.07063	4.1
65.03952	2.2
67.05499	15.9
68.99774	2.7
69.03432	2.3
69.07067	13.0
70.65788	1.8
71.04968	3.6
78.18385	2.0
79.05104	2.3
79.05494	18.8
81.07045	20.7
83.04984	4.3
83.08604	4.5
84.71465	2.0
85.02890	2.1
85.06532	2.7
91.05470	25.7
93.07040	18.2
95.04984	10.9
95.08602	17.4
97.06497	3.0
98.21614	2.8
98.97571	2.9
103.05453	1.9
105.06303	2.0
105.07025	38.5
107.04956	9.5
107.08585	17.9
109.06505	19.3
109.10159	8.0
111.08080	3.9
115.05444	2.6
116.06173	2.7
116.98605	3.4
117.07027	9.7
119.04935	24.4
119.08573	28.7
121.06528	4.2
121.10146	16.4
123.04442	12.0
123.08042	2.9
125.09652	1.7
128.06210	8.2
129.07013	15.2
130.07767	6.9
131.04874	2.3
131.08549	30.2
133.06499	11.3
133.10133	19.4
135.08067	9.0
135.11702	5.1
137.09561	1.8
141.06975	7.8
142.07748	10.3
143.08560	24.7
144.09375	2.5
145.06438	3.6
145.10112	33.8
147.04437	6.8
147.08028	5.9
147.11696	13.4
149.02309	1.8
149.05978	4.4
149.09550	7.2
149.13292	3.2
151.03876	3.9
153.01825	3.6
153.06953	6.7
154.07738	3.0
155.08559	14.2
156.09363	14.9
157.08919	3.3
157.10127	35.2
158.10846	4.0
159.08055	4.5
159.11705	14.5
161.09607	10.3
161.13203	3.3
163.11139	3.7
165.07002	4.0
167.08575	5.9
168.09383	2.4
169.10118	23.3
170.10866	6.4
171.11691	31.4
172.12338	2.6
173.09602	19.6
173.13235	7.6
174.10310	3.5
175.11151	11.6
180.09206	2.2
181.06520	2.9
181.10077	11.0
182.10901	11.1
183.11691	12.4
185.09618	4.9
185.13249	8.9
187.11153	4.4
187.14725	3.7
189.12746	13.1
194.10928	2.1
195.11693	11.8
196.12442	4.3
197.13240	39.4
198.13963	5.1
199.07503	2.7
199.11142	14.4
201.12946	2.6
206.09341	1.8
207.11635	5.2
209.13254	4.3
211.14793	17.7
212.15541	10.4
213.12743	6.3
213.16350	23.1
214.13486	2.7
215.07056	1.9
215.14319	7.5
222.13980	5.5
225.12785	2.9
226.13319	1.9
227.07181	2.5
227.14342	9.7
227.18021	4.3
229.15881	8.2
230.16600	2.4
231.17529	4.7
237.16362	11.2
240.15240	4.0
241.08578	2.7
245.08037	3.1
255.17442	53.8
273.07544	9.8
273.10648	3.2
273.18466	100.0
273.25778	4.7
274.18832	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03941	4.2
55.01877	7.2
55.05510	15.4
57.03425	2.8
57.07068	2.1
65.03928	2.5
67.05503	27.2
69.03423	4.4
69.07073	9.6
71.05001	1.9
77.63753	1.1
79.05491	22.6
81.03422	2.3
81.07060	25.1
82.77316	1.3
83.04953	3.8
83.08620	6.5
91.05478	40.1
93.07049	27.4
95.04974	15.6
95.08605	23.4
96.94444	1.2
97.06533	2.6
97.10175	2.2
103.05479	2.5
105.04520	1.3
105.07029	39.4
107.04960	9.3
107.08590	12.2
109.06513	10.4
109.10153	5.7
111.08076	2.6
115.05439	4.6
116.06217	2.3
117.07022	22.8
119.04949	3.3
119.08575	26.9
121.06514	8.8
121.10150	7.6
123.04422	2.9
123.08082	6.7
128.06212	7.1
129.07007	13.3
130.07771	3.5
131.04936	1.8
131.08560	28.4
132.05600	1.3
133.06506	13.6
133.10141	15.3
135.08063	6.9
135.11702	3.0
137.09601	6.6
141.06966	2.2
142.07796	3.9
143.08533	14.1
144.09276	1.9
145.06459	5.8
145.10118	25.2
146.07246	2.2
147.08041	15.9
147.11670	5.3
149.09630	6.9
151.03978	1.4
151.11191	1.8
155.08563	2.0
156.09267	1.4
157.06566	2.0
157.10110	12.4
158.10934	1.3
159.08069	5.3
159.11673	8.9
161.09621	22.3
161.13185	3.0
163.11238	2.6
167.08557	1.8
169.10121	4.5
171.08023	2.1
171.11661	10.4
173.09683	3.6
173.13245	3.2
175.11188	10.8
177.09134	2.7
177.12756	1.4
179.10695	1.5
179.30548	1.3
181.10106	3.6
183.11700	1.5
185.09679	4.2
185.13216	3.8
187.11165	4.1
189.12778	4.7
195.11743	3.0
199.11168	3.4
201.12708	1.4
203.14435	1.4
208.12512	1.2
211.14830	1.7
213.12703	2.6
213.16394	3.3
217.12280	2.4
227.14220	1.4
227.17929	6.1
237.16408	4.9
245.19012	12.2
255.17435	15.2
257.76175	1.3
273.18497	100.0
273.29843	3.7
274.18759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03932	1.5
55.01871	4.0
55.05268	0.9
55.05512	13.4
57.03434	1.6
57.07057	0.8
65.03943	1.5
67.05504	17.2
69.03415	1.6
69.07064	7.7
70.59763	2.0
70.67581	0.6
71.04981	1.5
77.03919	0.8
79.05492	14.0
81.03422	1.5
81.07058	13.9
82.33962	0.6
82.44998	0.6
83.04970	1.1
83.08612	3.8
85.06516	0.8
91.05479	29.6
93.07043	11.4
95.04971	4.3
95.08605	7.9
97.06530	1.9
97.10168	2.2
103.05461	2.4
105.07031	24.3
107.04957	4.2
107.08595	6.5
109.06510	2.7
109.10156	2.9
111.08105	1.4
115.05441	3.3
116.06226	3.2
117.07013	18.4
119.04935	1.3
119.08578	18.1
121.06487	3.7
121.10143	3.1
123.08067	2.2
125.09600	0.9
128.06221	4.7
129.07005	11.0
130.07785	4.6
131.04948	1.2
131.08569	47.4
132.05707	1.0
132.08847	0.9
133.06488	5.9
133.10133	7.6
135.08046	3.0
135.11658	1.6
137.09596	0.7
141.06961	2.2
142.07762	2.6
143.08554	14.0
144.05696	1.5
144.09320	1.0
145.06477	2.7
145.10123	30.9
146.07242	0.8
147.08041	13.2
147.11702	3.0
149.09579	3.7
151.11238	0.8
155.08571	1.7
157.06537	1.3
157.10124	11.2
159.08075	6.1
159.11697	8.9
161.09625	10.4
161.13341	0.8
163.11186	2.2
166.22787	0.6
169.10130	3.1
170.11122	0.8
171.08041	1.3
171.11682	7.1
173.09628	3.7
173.13268	1.7
175.11195	6.9
177.09088	1.6
177.12730	0.6
179.88391	0.8
181.10150	2.0
185.09637	2.1
185.13208	3.2
186.10323	0.7
187.11185	1.7
189.12787	1.6
191.10718	1.1
195.11742	1.9
199.11121	4.2
201.13010	0.8
203.10660	1.4
205.12271	1.0
209.13202	1.1
211.14760	0.7
213.12697	1.4
213.16359	1.5
217.15927	0.8
227.14143	0.7
227.17908	4.0
229.15924	0.8
231.13799	1.1
235.68336	0.7
237.16354	4.0
245.19002	3.0
255.17400	9.6
273.18488	100.0
273.29849	1.8
274.18808	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03942	3.3
55.01871	4.0
55.05264	2.5
55.05513	37.3
57.03435	3.5
59.04997	3.6
64.15514	1.4
67.05504	24.5
69.03433	1.9
69.07069	10.7
70.56327	1.5
70.71853	1.7
70.72168	3.3
71.05006	2.6
74.82008	1.5
79.05491	21.6
81.07061	25.1
81.55791	1.6
83.04990	2.3
83.08624	10.7
91.05482	48.8
93.07035	17.8
95.04957	6.2
95.08607	12.7
97.06526	2.6
97.10168	6.9
103.05457	2.9
105.07035	43.3
106.91027	1.5
107.04935	5.6
107.05637	1.6
107.08578	8.4
109.06530	5.1
109.10165	2.7
115.05456	6.4
116.06244	5.3
117.07024	35.4
119.04901	2.7
119.08583	18.0
121.06493	6.3
121.10119	3.7
123.08056	4.2
125.09577	3.3
128.06224	13.2
129.07005	21.9
130.07829	9.2
131.08566	79.7
133.06494	7.0
133.10114	12.9
135.08028	4.6
135.22935	1.7
137.09634	2.2
139.07698	1.7
141.06979	3.1
142.07796	4.4
143.08560	74.6
145.06470	3.9
145.10123	76.2
145.35631	1.6
147.08047	12.0
147.11714	5.9
149.09622	4.0
154.07639	1.7
155.08595	4.4
157.10135	18.1
159.08086	4.7
159.11688	20.2
161.09631	17.1
163.11192	3.0
169.10146	10.2
171.11659	11.4
173.09709	1.7
173.13240	2.6
175.11188	4.7
177.12779	2.8
181.10158	7.7
183.11687	3.2
185.09505	2.2
185.13281	5.6
187.11192	2.1
195.11671	8.2
199.11182	3.4
211.14696	2.7
213.12804	2.7
216.65178	1.9
227.17950	6.7
237.16391	15.4
245.18999	3.9
255.17432	18.4
273.07571	5.2
273.18503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03945	2.2
55.01883	4.3
55.05511	30.2
57.03426	2.4
57.07058	0.9
59.04996	1.6
61.83294	0.9
65.03926	1.7
67.05506	17.1
69.03410	1.4
69.07069	9.8
69.52705	0.8
71.03877	1.5
71.04986	2.9
73.06536	1.5
78.81721	0.9
79.05492	17.6
81.07061	19.8
83.04975	2.3
83.08618	12.5
85.06529	1.3
91.05482	41.7
93.07042	15.6
95.04981	4.7
95.08601	11.3
97.06505	0.9
97.10177	7.4
101.05989	1.1
101.20472	1.1
103.05457	3.4
105.07031	35.2
107.04927	2.0
107.08583	7.2
108.16911	0.8
109.06533	3.3
109.10162	2.6
110.76904	0.9
111.08115	0.8
115.05437	7.3
116.06226	4.5
117.07016	38.1
119.04951	2.2
119.08572	22.3
121.06494	3.6
121.10143	3.2
123.04432	2.1
123.08083	2.4
125.09649	2.0
128.06221	9.7
129.07007	19.4
130.07774	10.6
131.04953	2.1
131.08571	71.5
132.05699	1.3
133.06476	4.1
133.10130	10.1
135.08041	3.2
137.09645	1.2
141.06963	3.8
142.07819	4.6
143.08556	54.8
144.09285	2.6
145.06454	2.5
145.10123	76.2
147.08066	11.3
147.11678	2.8
149.09616	2.5
151.07523	1.2
154.07816	1.6
155.08557	3.7
156.09366	1.0
157.10132	18.8
158.10826	1.1
159.08115	4.5
159.11694	17.7
161.09616	7.1
163.11183	1.4
165.06976	1.5
167.08566	1.4
169.10139	8.4
171.08067	1.2
171.11682	10.5
173.09648	2.2
173.13239	3.8
175.11218	3.1
177.12637	1.3
180.09290	0.9
181.10117	4.5
183.11716	2.7
185.13261	3.8
189.12807	1.1
195.11700	8.7
199.11162	2.2
199.14738	1.1
209.13248	2.4
211.14838	1.3
213.12711	2.8
213.16528	1.1
227.14345	0.9
227.17921	3.5
236.62735	0.9
237.16386	14.6
237.85699	0.8
245.18993	2.5
255.17451	15.7
273.18491	100.0
274.18835	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	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	2.8
55.01630	1.0
55.01876	16.8
55.05262	1.1
55.05507	10.3
56.96553	1.2
57.03433	1.2
57.07070	1.0
65.03928	1.6
67.05502	15.3
69.03426	1.9
69.07070	10.4
71.05009	1.4
71.08621	1.8
71.32771	1.9
79.05058	1.5
79.05488	18.2
81.03416	3.5
81.07059	11.0
83.02979	0.8
83.04987	6.0
83.08613	3.0
83.70313	0.8
85.02893	1.6
91.05481	31.5
93.07042	17.7
94.04208	0.9
95.04965	8.4
95.08613	9.3
97.06527	10.7
97.10127	1.1
99.04430	2.4
99.08067	1.1
103.05447	2.0
104.00782	0.8
105.07024	27.8
107.04956	14.9
107.08607	8.9
107.74637	0.9
109.06516	3.4
109.10123	3.0
111.04443	12.8
111.08053	3.5
115.05470	2.7
116.06222	2.1
116.72303	0.8
117.07013	14.1
119.04948	4.0
119.08571	22.0
121.06512	6.2
121.10143	6.4
123.04420	2.8
123.08066	4.4
125.09620	1.6
128.06206	3.4
129.07002	10.9
130.07777	1.5
131.08574	20.5
132.05649	1.0
133.06512	9.0
133.10118	12.0
135.04369	1.0
135.08060	9.0
135.11673	2.0
137.09608	4.0
141.07014	2.2
142.07765	2.5
143.08563	13.4
145.06459	2.3
145.10135	14.6
146.07253	1.1
147.08060	10.5
147.11708	5.0
149.09604	9.3
151.03978	1.3
151.11092	2.4
153.09120	4.8
155.08572	1.9
156.08075	1.7
156.09280	1.1
157.06474	2.1
157.10123	10.5
159.08109	2.1
159.11697	6.4
161.09624	28.4
161.13289	1.6
162.10411	9.7
163.03857	1.5
163.11150	5.7
165.09053	1.1
167.08511	2.3
169.10129	2.5
171.08121	1.9
171.11667	8.4
173.09615	2.2
173.13278	2.7
175.11177	19.1
176.11896	1.1
177.12740	2.5
181.10097	3.1
183.11699	1.2
184.07585	2.2
184.55798	0.8
185.09608	2.8
185.13264	3.6
187.11169	2.6
189.09045	0.9
189.12747	9.7
195.11705	1.8
199.07573	1.8
199.11183	2.4
203.10667	2.0
205.12096	0.9
209.13303	1.0
213.12709	2.2
213.16257	4.5
217.12209	2.0
227.17914	4.0
231.13948	0.9
237.16396	3.2
245.08174	1.1
245.19012	6.6
255.17497	10.3
273.07486	2.6
273.18491	100.0
274.18912	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
53.03947	0.7
55.01874	0.8
55.05496	0.8
56.96559	0.8
57.03424	0.7
65.03957	0.9
67.01872	3.0
67.05490	1.6
68.99790	3.3
69.03432	2.6
69.07056	1.2
70.06593	1.4
70.40958	1.0
70.41354	1.0
79.05490	1.1
81.03423	0.9
81.03868	0.5
81.07063	1.4
82.68965	0.6
83.04985	0.5
83.08636	0.5
85.02906	1.0
86.09698	1.8
90.94849	0.4
91.05479	10.8
93.07028	1.5
95.04971	7.1
95.08603	1.5
97.02884	1.5
98.97576	1.1
105.07053	2.3
107.04952	8.0
107.08598	1.6
109.10123	0.8
110.12418	0.5
111.00762	0.8
111.04441	0.6
117.06997	0.8
119.04944	32.1
119.08552	1.5
120.05215	0.6
121.02866	1.5
121.06516	1.0
123.04424	14.9
123.08093	0.6
124.04693	0.5
127.03906	0.8
128.06194	0.5
129.07040	0.8
130.06514	1.0
131.08582	0.9
133.06488	0.6
133.10120	1.0
134.99698	0.5
135.00752	0.6
139.03873	1.4
141.06990	0.7
145.10141	1.0
147.04408	43.4
147.11707	0.9
148.04765	0.6
149.02351	2.4
149.06070	0.6
151.03915	3.6
152.06215	0.6
153.01826	100.0
153.06972	2.1
154.02133	1.6
158.06049	0.7
159.08026	0.8
159.11658	0.8
161.06029	1.1
161.09570	0.6
163.03917	0.9
169.06459	1.0
171.02885	10.0
175.11137	0.6
176.14369	1.5
179.03421	1.0
181.06506	2.0
189.05466	2.6
199.07576	1.6
213.09174	1.1
215.07069	1.7
217.12267	0.5
227.06758	0.7
227.08162	1.8
231.06329	0.8
237.06874	0.7
241.08601	1.0
243.06401	1.2
245.07953	1.1
255.06488	0.9
273.07571	61.5
273.19022	2.6
273.22290	1.1
274.07816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
65.03929	1.0
67.01851	3.1
67.05500	1.5
68.99794	2.7
69.03432	2.6
71.58392	1.4
75.45311	0.6
79.05477	0.9
81.03410	1.1
81.07059	1.0
85.02911	1.4
87.00851	1.2
91.05476	8.0
93.03510	0.6
93.07062	1.6
95.04973	5.6
95.08614	0.7
97.02894	1.1
98.06013	1.0
105.07028	1.2
107.04963	7.0
111.00771	0.6
115.05437	4.8
118.06575	1.2
119.04937	30.5
120.05270	0.7
121.02845	1.1
121.06497	1.7
123.04421	12.1
127.03905	0.9
129.06960	1.0
130.06526	9.3
130.70352	0.7
132.08087	17.1
133.06470	1.1
139.03856	0.8
142.06526	6.6
144.08104	1.0
145.10168	0.8
146.05994	0.9
147.04407	41.3
149.02307	1.0
149.05981	0.9
151.03899	2.9
152.06239	1.0
153.01823	100.0
154.02223	0.7
154.06476	1.1
155.58949	0.8
156.08109	1.8
157.07599	2.5
158.06009	1.2
158.08403	2.0
159.09175	39.2
160.07578	3.4
161.02908	0.9
161.05968	1.0
167.06064	1.0
167.10991	0.7
169.07597	10.5
170.06000	22.1
171.02946	5.6
171.06470	0.9
179.03358	1.1
181.06305	1.3
181.07640	2.0
182.05975	1.3
183.09187	2.9
184.07568	7.0
185.07103	19.9
187.07329	0.9
187.08710	9.1
188.07123	2.2
189.05502	2.2
199.08737	1.1
200.07040	7.1
201.10316	5.9
209.07089	1.9
210.80450	0.6
211.08751	0.8
213.05399	0.6
213.09178	0.8
215.06950	1.6
227.08182	23.3
231.07813	3.3
241.08513	1.1
243.06544	0.7
245.09244	24.9
255.07883	3.6
273.07550	68.8
273.18829	2.2
274.07889	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
50.33749	0.5
51.02389	1.1
52.92976	0.5
53.03942	1.1
55.01859	2.0
55.05505	1.1
56.96551	1.1
57.03394	0.5
63.43007	0.5
65.03927	2.2
66.22743	0.5
67.01866	0.6
67.05502	5.3
68.99794	4.9
69.07083	0.6
69.13660	0.5
69.55842	0.6
70.75534	1.4
72.08128	0.6
77.03948	1.0
79.05492	0.8
81.03421	0.7
81.07056	0.8
83.04967	0.9
89.03905	0.7
90.64003	0.5
91.05473	2.5
93.03419	3.1
93.07017	1.0
95.04973	8.8
97.02889	1.3
97.55486	0.5
98.97639	0.7
105.03384	2.2
105.06983	0.6
107.04956	5.5
111.00827	2.9
111.04456	2.9
115.05427	0.7
117.06971	0.6
119.04942	11.0
121.02883	1.6
121.06492	0.9
123.04422	100.0
124.04765	1.1
127.03896	0.7
129.06998	1.2
131.04959	0.6
133.06494	0.7
135.04402	7.6
136.05211	0.6
136.06175	2.1
137.05978	0.7
139.03896	63.7
140.04233	1.2
145.06493	0.8
147.04399	7.9
149.02339	1.3
149.05957	1.8
151.03911	4.1
151.07503	0.7
152.06230	0.6
153.01801	0.6
153.06978	3.7
157.06520	1.0
161.05963	1.9
163.03906	8.7
163.07545	1.9
164.04131	0.7
175.07544	1.0
177.05482	0.6
181.06422	4.0
184.05157	0.7
185.05995	0.6
186.02211	0.5
187.07608	1.0
189.05438	3.9
199.07416	1.5
203.07014	1.0
209.05956	0.6
213.09048	1.1
215.07019	1.2
227.02293	0.6
227.07043	2.0
231.06567	0.9
241.08757	1.4
243.06573	1.2
245.08066	2.0
255.06474	2.6
265.69443	0.6
273.07562	13.4
273.12039	1.0
273.14746	1.7
273.18811	1.0
274.07889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.63867	0.4
55.05503	0.4
65.03933	1.0
67.01864	3.3
67.05499	0.5
68.99773	2.5
69.03438	2.5
71.09149	0.5
71.09489	0.8
79.05481	0.7
81.03428	0.7
81.07081	0.6
83.01344	0.6
85.02919	0.6
91.05480	8.5
93.07037	0.6
95.04964	4.1
97.02885	1.3
98.03182	0.3
98.97603	0.4
105.07027	0.8
107.04949	4.0
111.00776	0.9
111.04440	0.7
119.04940	25.8
120.05298	0.6
121.02869	0.8
121.06509	1.1
122.37329	0.4
123.04427	8.4
128.06352	0.3
129.06960	0.5
131.08487	0.4
132.08069	0.7
133.06511	0.5
137.05942	0.7
139.03951	0.7
145.06534	0.6
145.10149	0.6
147.04405	46.5
148.04715	1.1
149.02380	0.5
149.05963	0.5
151.03885	1.3
152.06174	0.4
153.01822	100.0
154.02164	1.3
155.04883	0.5
157.06485	0.8
159.09181	1.5
161.91977	0.4
163.07544	0.5
167.08521	0.7
169.06526	0.5
170.06021	0.9
171.02876	6.2
171.04236	0.6
179.03323	1.4
181.06464	1.2
185.07185	0.7
187.07497	0.5
189.05449	1.7
195.07928	0.6
201.05472	1.2
207.06532	0.4
213.09108	0.9
223.07516	1.0
227.08018	1.2
231.06682	0.7
241.08704	0.5
243.10083	0.6
245.09113	0.7
249.83693	0.4
255.06557	1.2
273.07565	67.5
274.07925	1.9
277.14813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03238	0.8
53.03942	1.6
55.05511	6.0
56.05020	1.5
56.96564	17.2
57.03436	3.3
57.07048	1.3
58.06600	0.9
61.02912	2.2
61.13942	0.8
63.03051	0.8
67.05486	1.0
68.05019	2.3
69.03418	4.9
70.03445	0.9
70.06570	5.1
71.05006	1.3
71.57489	1.2
72.08155	1.3
73.02896	2.7
73.06544	3.9
79.05491	1.3
81.03421	1.7
81.04533	6.7
81.07045	11.8
82.05313	1.8
82.06573	1.1
83.06104	11.6
84.04494	1.5
84.08163	1.0
84.96014	1.3
85.02898	5.3
91.05443	1.4
92.05048	1.7
93.04520	9.0
95.06086	16.9
97.02896	4.4
98.97582	16.3
109.02858	1.7
110.06098	4.4
110.07162	100.0
110.97588	0.8
111.05568	2.7
112.07618	1.5
112.08723	2.0
116.98625	18.6
119.01819	2.5
123.04420	2.1
124.03944	1.2
124.08712	5.2
125.07150	1.3
127.03922	1.8
128.98596	1.9
130.04956	0.9
134.99654	12.6
137.06015	0.9
139.04996	1.2
140.05302	1.5
140.07057	1.2
141.71150	0.8
143.00133	6.3
146.04187	1.3
146.99628	2.9
147.04344	1.1
148.63712	0.9
152.06923	0.9
153.00697	1.4
155.04648	16.1
155.54794	1.4
156.07680	9.4
158.01251	1.7
158.99632	5.2
161.01245	10.2
163.03899	1.1
163.12308	9.8
164.05188	8.3
164.55295	1.4
165.04350	1.6
166.55496	2.8
170.99663	2.0
174.99234	1.5
177.00716	10.2
179.02278	1.9
182.03392	1.7
182.05057	1.2
185.03815	3.1
188.05254	1.2
189.00685	2.0
190.13374	2.6
191.03862	2.7
191.07500	2.2
193.00212	1.0
193.13409	1.4
198.13620	1.2
200.02309	1.3
201.00591	1.2
206.06178	2.0
208.14464	12.8
211.14406	1.5
219.01764	1.7
222.15930	2.2
226.15482	22.1
227.06804	6.2
227.13922	1.5
227.56648	1.0
237.02896	2.2
240.17006	2.3
249.02866	3.0
254.15013	15.7
267.00290	3.2
267.03799	5.4
272.16068	68.1
272.19617	10.6
273.16370	1.6
285.01337	1.1
285.04919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01858	4.3
55.05513	43.7
56.96553	1.0
57.03440	27.2
57.07074	3.2
65.03932	2.8
66.03253	0.9
67.05506	59.6
68.99789	13.9
69.03419	2.6
69.07069	31.5
69.52397	8.2
71.04996	11.6
79.05493	26.8
80.05813	1.1
81.07059	88.1
83.04989	4.9
83.08617	22.7
85.06544	9.5
91.05487	29.2
93.07045	25.6
95.04963	3.6
95.08611	100.0
96.08934	1.5
97.06538	15.3
97.10189	6.8
98.97559	1.2
99.08092	4.4
104.79146	1.1
105.07031	19.5
107.04958	1.7
107.08582	9.6
109.06512	3.5
109.10162	14.6
111.00806	1.0
111.08080	4.2
113.09634	1.3
115.05435	1.5
116.98645	1.1
117.07018	2.3
119.04971	1.0
119.07784	1.8
119.08577	21.9
121.10139	5.1
123.08076	5.1
123.11708	1.6
125.09552	1.3
128.06247	1.6
129.06969	5.0
131.04993	0.9
131.08569	3.7
133.06465	1.2
133.10121	14.0
135.11711	8.2
137.09615	4.2
137.13277	6.4
141.07010	5.6
143.08553	1.8
144.05716	2.5
145.06480	2.4
145.10149	1.9
149.13286	1.1
153.06969	2.8
155.04941	5.3
155.08553	2.5
157.06535	4.0
157.10158	2.1
159.08054	24.9
159.11711	3.0
161.09572	1.0
161.13263	22.7
165.05814	1.3
165.06946	5.9
168.05626	1.3
168.44255	1.0
169.06500	3.0
169.10164	1.5
173.06029	9.4
173.13251	1.7
175.07541	1.3
179.14319	9.5
181.06523	2.7
182.07303	1.3
183.04416	5.3
183.08061	3.2
185.06032	3.3
185.09596	4.5
197.05997	5.6
197.09587	1.7
199.11272	1.3
201.05490	10.1
203.07057	4.3
211.03902	1.4
211.07567	3.8
211.11180	1.8
221.05896	1.0
225.05466	2.9
229.04938	12.3
243.06572	4.3
244.97403	0.9
251.71915	1.0
253.04985	3.9
253.15805	2.3
253.18008	2.1
271.06033	41.1
271.09558	6.4
271.19128	33.2
271.24240	4.0
272.06406	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01628	0.8
53.03934	2.2
55.01870	2.5
55.05269	1.3
55.05515	22.1
56.96562	1.3
57.03439	17.6
57.07074	1.9
65.03935	2.2
67.05505	34.9
68.99793	45.3
69.03443	0.9
69.06722	1.8
69.07069	19.5
69.97935	1.7
69.98332	2.7
70.86729	0.8
71.04996	7.9
71.08633	1.5
73.06557	1.2
79.05493	16.8
81.07059	52.6
82.07382	1.3
83.04961	3.8
83.08619	13.3
84.76132	1.0
85.02887	1.3
85.06553	4.5
88.83414	0.9
91.05483	15.6
93.07047	14.4
94.96719	0.9
95.04967	3.1
95.08607	55.1
97.06517	9.1
97.10154	4.2
99.08077	2.7
103.05431	1.0
105.07031	11.4
107.08599	7.1
109.06525	2.0
109.10143	8.7
111.00809	4.8
111.08065	2.8
115.05444	2.2
117.07017	2.9
119.04967	1.1
119.08588	15.9
121.10152	3.7
123.08041	3.5
123.11649	1.5
127.03896	1.0
128.06212	1.5
129.06989	5.7
131.04958	2.5
131.08546	2.1
133.10138	10.0
135.04408	1.5
135.11693	5.3
137.09616	2.6
137.13268	3.4
139.05385	1.1
141.06978	6.4
145.06491	3.1
145.10167	1.3
149.13255	2.6
150.03131	1.2
152.06102	1.7
153.06984	4.1
155.04929	18.9
155.05984	0.7
155.08556	2.3
157.06506	11.4
159.04439	2.7
159.08052	2.2
159.11629	2.1
161.05858	1.2
161.13269	14.1
165.07004	6.6
168.05724	2.7
169.06502	7.0
173.05994	27.9
175.03970	0.9
175.07585	1.9
179.14348	4.8
181.06509	4.1
183.04425	20.8
183.08089	4.0
185.05995	8.0
187.03900	4.9
187.07558	1.0
196.05095	1.0
197.05988	17.0
198.06419	1.6
201.05476	27.7
202.06030	1.9
203.07042	15.0
211.03909	3.5
211.07574	3.2
213.05550	1.1
215.07118	5.3
221.05875	1.1
225.05469	15.0
226.06076	2.7
229.04973	45.8
230.05302	3.1
239.07121	1.2
243.06500	7.9
253.04973	8.9
271.06024	100.0
271.09476	6.2
271.14404	2.0
271.19110	25.0
271.24149	2.8
272.06381	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	271.169
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
55.01868	0.9
55.05510	4.0
65.03959	0.5
67.05507	4.4
69.07062	1.0
71.04475	0.8
71.04984	0.5
73.80936	0.4
79.05493	7.2
81.03389	0.5
81.07058	5.1
83.05003	0.5
83.08624	2.7
85.06529	0.6
91.05481	7.9
93.07037	4.2
95.04940	0.7
95.08602	3.1
97.06513	0.8
97.10166	1.6
103.05489	0.6
105.07019	2.4
107.08615	4.0
109.06503	0.7
109.10126	0.9
111.08077	1.7
115.05441	2.4
116.06216	1.2
117.07018	13.2
119.04984	1.0
119.08585	18.5
120.42201	0.4
121.10134	2.7
123.08066	0.8
125.09657	0.9
128.06215	1.2
129.07025	3.5
131.04970	0.7
131.08539	2.9
133.06493	2.0
133.10083	0.9
135.08058	9.6
137.09613	0.7
141.06993	1.4
142.07767	0.7
143.08548	1.8
144.05698	9.2
145.06441	2.8
145.10132	4.3
147.08086	2.7
149.05988	1.2
149.09621	0.7
153.06976	0.6
154.07713	0.5
155.08554	1.3
157.06511	1.5
157.10146	2.7
159.08055	100.0
160.08430	2.2
161.09648	2.3
165.07028	0.5
169.06462	0.7
169.10034	2.4
171.11754	0.8
173.05954	0.6
173.09633	7.7
173.13068	0.5
175.07570	3.1
175.11168	0.6
179.08510	0.6
179.14330	0.5
183.08040	0.9
183.11708	1.1
185.09613	4.1
187.11186	1.1
197.09534	1.1
197.13307	0.7
199.11186	1.5
201.12886	0.4
207.11632	0.7
209.13219	0.9
211.11188	2.2
211.14867	0.8
224.11890	0.6
225.12834	2.7
225.16428	1.6
227.14291	0.4
235.14850	1.7
243.17310	0.5
253.15886	6.6
271.05875	2.1
271.14038	0.7
271.16904	10.9
271.24023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78666	1.1
53.03957	1.7
55.01870	7.4
55.05511	8.2
56.82730	1.0
57.03439	17.4
62.96737	1.0
63.20791	1.0
63.68908	1.0
65.03926	1.6
67.05505	42.9
68.99790	36.0
69.03425	4.1
69.07068	10.6
70.19946	4.9
71.04994	7.4
72.47569	1.1
73.02876	1.2
79.05493	15.4
81.03407	2.5
81.07060	41.5
83.04981	6.1
83.08620	3.5
85.02876	2.5
85.06544	5.6
91.05486	28.9
93.07053	13.4
95.04963	5.7
95.08601	10.2
97.02880	1.4
97.06516	4.2
98.20858	1.1
99.04444	2.3
105.07033	28.6
107.04936	2.1
107.08591	25.3
109.06503	5.1
109.10156	46.4
110.09659	1.0
111.00795	3.9
113.05960	1.8
115.05465	2.7
117.07020	1.9
119.08567	4.9
121.06506	1.9
121.10163	2.6
123.04419	1.6
123.11703	8.9
125.09576	1.4
127.07574	3.0
128.06282	1.5
129.05449	1.3
129.06998	3.7
129.46887	1.2
131.04942	2.1
131.08580	2.1
132.05627	1.2
133.09116	2.8
133.10126	57.3
135.11674	1.4
137.05956	1.5
141.07011	6.6
145.06496	2.2
145.10153	1.3
147.11609	1.6
151.11180	32.1
152.06230	1.1
153.07030	4.8
155.04918	12.1
155.08606	1.3
157.06485	7.8
159.04410	3.4
159.08093	2.7
159.11694	1.7
161.05971	2.6
161.09576	1.1
161.13211	1.4
165.07014	8.9
168.05705	2.3
169.06483	8.4
169.12245	5.5
173.05977	25.4
173.07344	2.0
175.07613	1.3
181.06528	3.7
183.04414	17.7
183.08069	3.7
184.04881	1.4
185.05972	9.8
187.03908	3.6
187.07584	1.5
193.06458	1.5
197.05989	14.1
198.06511	1.0
199.11179	1.4
201.05475	24.6
202.05891	1.4
203.07010	13.7
207.04285	1.2
211.03911	3.4
211.07524	5.8
215.07057	5.1
215.12675	1.4
217.12215	1.7
225.05479	14.5
226.06027	1.2
229.04958	41.0
230.05244	2.6
239.06892	1.8
243.06502	8.0
253.05045	8.5
253.14346	1.6
254.05501	1.2
271.06024	100.0
271.09439	7.1
271.15384	18.9
272.06284	6.7
278.19714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65347	0.9
55.01866	1.6
55.05501	2.8
56.96554	1.5
67.05489	3.4
68.99792	43.9
69.00175	2.2
69.03426	2.0
69.07057	1.5
69.83986	0.9
71.26483	2.1
79.05482	2.6
81.07049	3.9
85.06516	1.1
91.05474	4.3
93.07037	3.4
93.50291	0.9
95.08611	1.7
102.06379	0.9
103.05488	1.1
105.07031	2.2
106.06561	8.2
107.04921	2.0
107.08582	1.9
109.10159	1.6
110.73017	1.1
111.00800	2.8
115.05440	3.0
116.98621	1.2
117.06999	1.6
119.04903	1.5
119.08559	1.9
121.10117	1.4
127.05517	0.9
128.06169	1.5
129.06985	5.3
131.04910	2.8
131.08543	1.1
137.05992	1.3
141.06976	7.7
145.06474	3.2
147.08032	1.1
147.11633	1.0
149.13239	1.0
150.03145	2.0
152.06139	1.2
153.06993	5.3
155.04900	16.0
155.08575	1.9
157.06476	10.6
159.04474	2.4
162.79793	1.1
165.07010	8.4
168.05736	1.3
169.06445	7.2
173.05983	25.9
175.07585	2.6
181.06473	4.1
182.07191	1.4
183.04399	16.6
183.08092	3.9
185.05948	8.4
187.03899	3.5
187.07573	1.4
193.06529	1.1
196.05164	1.6
197.05972	15.7
199.07433	1.2
201.05467	26.6
202.05899	1.7
203.06999	14.5
211.03952	2.8
211.07460	4.8
215.07030	4.4
220.20781	1.1
225.05443	10.4
225.08949	1.1
226.06253	1.3
229.04951	40.3
230.05209	2.1
239.07156	1.5
243.06529	7.2
253.04942	10.1
271.06012	100.0
271.09427	6.9
271.24066	1.6
272.06302	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	271.06
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01854	2.1
57.03427	0.6
57.69208	0.7
64.34030	0.6
65.03957	3.9
67.01842	0.9
67.05492	1.0
68.99789	21.4
69.03429	1.1
69.95422	3.6
79.05509	1.6
79.89475	0.7
81.03391	0.9
81.07040	1.1
85.02888	2.2
91.05482	14.7
93.03367	1.0
93.07054	0.8
95.01320	0.7
95.04955	2.3
95.08575	1.0
97.02887	1.9
99.04414	0.8
105.03320	0.8
105.07010	0.9
107.04958	6.9
111.00778	2.3
111.04399	1.4
115.05437	2.2
116.98641	0.7
119.04964	5.1
121.02861	12.5
123.04400	1.1
127.03937	1.1
128.06195	1.8
129.06969	2.6
131.04944	4.1
131.08522	0.9
133.02844	0.8
135.04370	3.5
137.02328	2.0
137.05919	0.7
141.05959	1.3
141.06978	10.9
143.04860	0.7
144.05704	1.2
145.02814	2.7
145.06474	2.6
147.04424	4.0
147.08028	2.4
149.02341	69.1
151.03922	9.4
152.06172	2.5
153.01826	16.2
153.06972	5.4
154.07848	0.8
155.04910	5.7
155.08479	0.9
157.06479	4.7
157.07553	0.8
159.04431	4.1
159.08020	1.3
161.02345	0.9
161.06003	1.0
163.03886	2.2
165.01872	0.7
165.07001	8.0
167.03453	0.8
168.05675	1.1
169.06485	12.0
173.04587	1.2
173.05984	12.6
175.07576	1.1
179.03362	1.4
179.04849	0.8
181.04938	6.7
181.06505	4.0
182.07265	0.9
183.04442	7.5
183.08035	3.9
185.05940	4.0
187.03900	4.3
187.05307	0.6
187.07555	2.1
189.05469	1.9
193.06511	0.9
196.05157	1.0
197.05966	17.6
198.06737	1.0
199.07495	1.2
200.04691	1.3
201.05453	11.7
203.07053	6.4
211.03978	0.8
211.07529	3.9
213.05586	1.4
215.07022	80.4
216.07269	2.3
216.09187	0.7
217.04980	1.0
221.05914	1.4
223.06046	2.0
225.05453	8.2
226.06117	1.0
227.06920	1.6
229.04958	16.4
235.05991	3.0
237.30717	0.8
239.07092	1.0
243.06523	52.3
253.04903	6.7
253.06854	0.7
254.27258	0.7
271.06003	100.0
271.09393	5.4
272.06339	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	271.0601
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01872	1.4
65.03930	3.4
68.99791	12.9
71.13795	1.7
81.03413	1.2
91.05484	10.6
97.10216	0.9
101.19637	0.7
103.05272	0.8
107.04949	7.1
109.55970	0.8
111.00779	1.1
115.05447	2.1
119.04930	5.2
121.02867	15.5
128.06203	0.8
129.06987	1.8
131.04906	4.0
131.08575	1.4
133.02835	0.9
141.06979	11.0
141.82759	1.0
144.05739	1.3
145.02753	1.8
145.06461	3.0
147.04437	4.0
147.08017	3.0
149.02339	87.5
152.06175	2.4
153.01810	18.0
153.06967	2.3
155.04930	3.2
157.06490	3.8
159.04419	3.7
159.08023	1.6
165.01859	1.3
165.06989	1.6
167.03369	1.4
169.06487	13.3
173.05977	7.9
181.06410	4.4
183.04407	3.7
185.05956	1.6
187.03923	2.6
187.07571	5.1
197.05984	17.8
199.07526	2.0
200.04625	0.9
201.05489	6.9
203.07047	2.3
215.07024	100.0
216.07373	2.0
225.05443	3.9
227.07040	1.6
229.04997	8.2
243.06534	66.3
244.06865	1.6
253.04985	5.1
271.06018	83.2
272.06516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50820	38.8
56.96559	47.5
65.00811	31.8
67.99111	35.9
69.07047	39.1
71.57832	53.5
97.02906	45.7
119.01925	72.0
133.03419	37.2
138.05489	100.0
147.40047	37.6
151.70009	35.4
154.00082	31.0
160.64507	37.7
196.83868	36.6
215.99998	71.3
259.99103	47.0
269.98230	58.0
286.55148	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01868	3.6
55.05511	25.0
57.03436	34.6
57.07056	3.5
61.95864	1.3
63.47068	1.3
65.03931	2.3
67.05504	87.5
69.07072	28.2
70.05869	1.4
70.84110	4.7
71.04988	6.8
73.64723	1.5
79.05492	51.4
81.03415	2.8
81.07059	100.0
83.04984	10.4
83.08617	22.0
85.06554	6.8
91.05482	29.5
93.07039	69.3
93.07634	3.1
95.04982	9.6
95.08611	24.7
97.06537	15.8
97.10178	3.8
99.08074	4.0
105.07014	9.4
105.50195	1.4
107.08595	36.6
107.54310	1.5
109.06519	3.9
109.10143	6.7
111.08093	10.2
113.05986	1.5
116.75425	1.7
117.07002	13.3
119.08567	4.0
121.06554	1.9
121.10136	17.4
123.11718	3.7
131.08557	12.7
133.10104	13.9
135.08061	2.4
135.11691	13.3
139.11165	2.2
149.13254	41.3
151.11191	1.4
157.10056	1.5
159.11679	21.1
177.12776	9.0
195.13777	11.6
212.68930	1.5
226.06323	3.5
269.08054	12.0
269.17456	37.3
269.22290	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	3.1
55.01871	4.0
55.05511	23.4
57.03185	3.2
57.03437	33.3
57.07066	3.6
57.26993	1.7
58.68454	1.6
65.03927	2.7
65.28928	1.7
67.05505	78.5
69.06723	2.7
69.07066	26.5
71.04984	7.7
79.05495	46.9
81.07060	100.0
83.04984	8.8
83.08617	18.1
85.06524	6.7
91.05482	23.5
93.07044	78.7
95.04966	6.1
95.08614	20.2
97.06538	15.1
99.08089	5.0
105.07022	9.5
107.08598	33.7
108.08932	1.9
109.06545	2.9
109.10098	2.9
111.08064	9.8
117.07022	10.0
119.08572	2.6
121.10152	24.1
123.11722	2.4
131.08565	10.0
133.10123	10.6
133.84392	1.7
135.11690	10.8
139.11166	2.3
149.13255	43.1
159.11697	21.3
177.12764	8.0
194.23608	2.1
195.13826	9.9
268.83038	1.8
269.17496	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	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03940	4.7
55.01863	3.4
55.05512	26.3
57.03437	24.1
58.66209	1.4
59.34463	1.6
59.65614	1.5
65.03927	3.3
67.05505	85.0
69.07066	25.0
69.95142	8.0
71.04985	5.2
71.34592	1.4
73.02899	1.7
74.94239	1.3
79.05494	54.7
81.07059	100.0
83.04999	10.0
83.08614	18.6
85.06534	7.7
91.04969	2.6
91.05487	33.9
93.07046	66.2
95.04951	8.2
95.08603	22.1
95.24049	1.5
97.06535	19.0
97.10179	1.9
99.04473	2.1
99.08108	5.3
105.04507	1.6
105.07050	13.1
107.08591	34.1
107.09290	2.1
109.06505	2.8
109.10170	5.3
111.08085	11.0
117.07024	15.7
119.08529	3.6
121.10133	12.9
123.11710	5.2
131.08568	17.9
133.10129	20.7
135.08020	1.8
135.11700	15.1
135.63023	1.6
147.11635	1.7
149.13248	33.4
151.11220	3.5
159.11688	27.8
177.12755	11.2
195.13771	10.1
231.09007	1.8
269.17450	40.0
269.22232	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	3.6
55.01865	4.1
55.05513	23.2
57.03439	37.1
57.07063	4.0
61.42168	1.3
65.03938	3.3
67.05505	79.6
69.03438	1.7
69.07068	34.6
70.88107	1.8
70.88466	3.9
71.04987	5.7
79.05495	50.2
81.03400	2.3
81.07058	100.0
82.40882	1.3
83.04985	10.2
83.08626	18.6
85.06544	4.8
91.05492	27.1
93.07046	73.1
94.07346	1.6
94.89405	1.3
95.04958	8.7
95.08608	27.8
97.06539	15.9
97.10184	3.2
99.08085	4.2
105.07050	11.7
107.04996	1.4
107.08597	41.8
109.06505	4.5
109.10154	5.9
111.08047	8.3
117.07009	11.3
119.08592	3.8
121.06451	2.0
121.10145	27.2
123.11667	2.6
131.08556	13.5
133.10121	10.3
135.08089	1.3
135.11687	11.7
139.07495	1.6
139.11134	2.4
141.58368	1.3
145.10091	2.1
149.09602	1.4
149.13254	49.0
150.13490	1.5
151.11208	2.2
157.87979	1.4
159.11687	21.3
161.13184	1.7
177.12755	10.5
189.72356	1.3
195.13806	9.4
200.54608	1.4
234.85522	1.4
269.17517	29.9
269.22546	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03947	4.2
53.56953	1.4
55.01870	4.1
55.05516	20.9
57.03151	2.1
57.03436	40.2
57.07066	4.7
65.03935	2.5
67.05505	76.1
69.07070	31.3
69.46994	13.7
71.04991	6.6
72.42728	1.4
79.05492	50.8
81.03427	1.5
81.07058	100.0
83.04995	9.8
83.08625	17.2
83.51965	1.3
85.06548	5.5
91.05491	22.9
93.07043	75.3
95.04984	8.4
95.08604	25.4
97.06528	15.2
97.10187	1.4
99.08118	4.8
105.07068	7.0
106.71307	1.5
107.04960	1.7
107.08595	42.9
107.09302	2.8
109.06516	2.9
109.10173	4.2
111.08099	7.9
113.09696	2.1
117.07045	10.2
119.08608	2.0
121.06554	1.7
121.10161	22.2
123.11723	2.3
131.08562	11.1
133.10115	7.6
135.08041	2.4
135.11710	9.5
139.11226	2.2
147.11630	1.6
149.13254	44.7
157.10214	1.3
159.11711	18.5
177.12737	8.7
195.13844	9.0
205.23116	1.5
208.87637	1.3
269.17487	26.0
283.37708	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	3.5
55.01858	3.3
55.05507	20.5
57.03433	27.3
57.07072	2.4
58.31734	2.1
65.41148	1.8
67.05499	69.0
69.03427	3.5
69.07069	22.0
69.50951	16.6
71.04986	6.3
79.05483	41.8
81.03421	2.6
81.07053	100.0
83.04990	5.8
83.08625	17.4
85.06546	5.5
85.21106	1.9
91.05472	29.8
93.07034	55.9
95.04980	11.8
95.08595	26.7
97.06522	19.8
97.10218	2.1
98.20765	4.5
99.08081	2.9
105.07023	12.9
107.08598	26.8
109.06511	3.6
109.10149	6.4
111.04490	2.3
111.08072	10.4
113.06028	2.0
117.07010	9.8
119.08585	3.3
121.10136	11.5
123.08107	3.3
123.11702	7.4
125.09621	4.5
131.08572	12.6
133.10121	21.1
135.07996	2.0
135.11716	12.5
149.13243	27.7
153.35390	1.7
159.11685	23.1
177.12769	11.5
195.13803	12.1
212.04881	2.0
227.07098	2.7
255.06538	2.2
269.13626	6.0
269.17462	38.2
270.08875	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01859	2.6
55.05263	2.0
55.05511	25.1
57.03436	34.6
57.07076	2.2
65.03938	2.8
67.05504	86.8
68.05846	1.4
69.03442	1.4
69.07067	32.0
69.95194	7.7
71.04984	6.8
79.05494	53.5
81.03403	2.1
81.07056	100.0
82.07386	1.8
83.04978	11.1
83.08613	20.5
85.06544	6.4
91.05478	30.5
93.07044	78.4
95.04954	9.4
95.08612	26.9
97.06523	18.4
99.08075	4.5
105.04501	1.6
105.07021	11.5
107.08589	32.8
109.06533	3.8
109.10152	5.0
111.08057	8.5
117.07014	12.3
119.08602	1.9
121.06507	1.9
121.10148	20.1
123.08060	1.3
123.11687	3.9
131.08553	11.5
133.10109	14.1
133.42792	1.2
135.11700	10.6
139.11174	1.5
147.11632	2.2
149.13257	40.8
151.11188	2.5
159.11705	21.2
177.12743	10.7
195.13792	11.3
269.17456	42.2
270.18002	1.4
290.05200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.23408	1.3
53.03931	4.1
53.47130	1.3
53.95081	1.6
55.01863	4.1
55.05517	24.8
57.03437	33.3
57.07059	4.3
58.69054	1.3
59.93544	1.2
60.47332	1.4
60.81003	1.4
65.03935	3.7
67.05505	81.6
69.07070	27.2
70.02222	6.6
71.05003	7.2
74.70126	1.3
75.04890	1.4
79.05492	49.6
81.03423	2.3
81.07059	100.0
83.04987	11.6
83.08624	21.6
85.06539	5.7
91.05484	30.2
93.07043	71.9
93.07635	3.4
95.04965	11.1
95.08600	26.9
97.06520	16.1
97.10156	3.5
99.08085	3.7
105.04572	2.0
105.07047	10.4
107.08591	35.5
108.08916	1.5
109.06520	4.7
109.10165	4.8
111.08070	7.6
117.07013	14.0
119.08564	3.4
121.10136	16.9
123.08080	1.4
123.11709	4.7
129.06979	2.6
131.08572	14.8
133.10136	13.6
135.11688	9.8
139.11250	2.0
149.13263	36.8
149.14386	3.0
151.11172	3.0
159.11697	19.8
161.13324	2.3
167.14265	1.8
169.21375	1.7
177.12762	9.3
195.13857	9.4
258.24872	1.4
269.17450	40.8
269.54791	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06363	1.1
53.03944	3.6
55.01870	3.1
55.05511	20.8
57.03436	36.1
57.07072	3.9
65.03928	2.2
65.86488	1.0
67.05505	80.1
69.07066	32.2
69.65958	9.3
71.04990	5.7
77.03945	1.1
79.05495	50.5
81.03448	2.7
81.07056	100.0
83.04990	9.8
83.08619	20.8
85.06541	6.7
91.05480	30.4
93.07043	71.7
95.04978	7.2
95.08609	25.0
97.06529	16.9
97.10188	2.1
98.20764	2.5
99.08102	5.4
105.07017	10.6
107.08597	35.3
109.06497	2.7
109.10136	4.0
111.08094	8.3
117.07018	12.1
119.08567	2.7
121.06505	2.2
121.10142	18.9
123.08144	1.5
123.11716	3.7
123.63133	1.4
125.09626	1.3
131.08554	12.0
133.10136	15.0
135.08064	2.1
135.11691	10.4
136.06279	1.3
139.11205	2.1
145.08897	1.2
149.09697	1.7
149.13252	38.7
151.11180	1.7
159.11685	17.8
167.14346	1.5
177.12720	8.1
195.13803	10.2
211.07587	1.5
269.17480	34.7
269.22226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	4.9
55.01863	3.5
55.05513	24.6
57.03435	36.5
57.07060	6.3
65.03934	3.6
67.05505	80.2
69.06730	1.7
69.07073	28.9
69.80886	8.2
69.88714	1.6
71.04988	5.8
79.05493	52.3
81.03410	3.3
81.07056	100.0
82.07386	1.4
83.04983	10.7
83.08607	19.3
85.06535	4.7
91.05482	26.5
93.07042	68.8
95.04964	10.9
95.08605	29.8
97.06532	18.6
97.10102	2.1
99.08087	4.5
105.07003	11.0
107.08591	36.4
109.06495	4.2
109.10145	5.4
111.08070	8.2
117.07015	12.0
119.08598	3.8
121.10136	18.0
123.11707	1.7
131.08588	14.4
133.10132	11.8
135.08063	2.4
135.11702	10.4
136.11903	1.5
139.11066	2.2
141.06981	1.9
149.13268	33.1
159.11708	17.0
167.14366	1.6
177.12758	8.4
180.75665	1.7
195.13853	11.8
213.14937	1.6
248.45758	1.5
269.17474	33.4
269.21994	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01864	4.5
55.05510	20.9
57.03435	34.2
57.07079	4.2
57.48831	1.8
65.03935	2.3
67.05502	79.5
69.06725	2.8
69.07066	32.8
69.25912	20.7
71.04986	6.4
71.41697	1.6
79.05492	44.9
81.07054	100.0
81.69703	1.9
83.04977	10.1
83.08604	17.2
85.06528	3.8
85.73388	1.8
91.05483	26.9
92.61179	2.1
93.07041	63.0
95.04951	7.6
95.08600	29.4
97.06518	16.4
97.10126	3.0
98.20743	3.7
99.08084	4.1
105.07018	9.4
107.08578	31.9
109.06506	5.8
109.10159	5.1
111.08073	8.0
111.90413	1.8
111.92313	1.8
117.07044	9.3
119.08545	2.4
121.10152	17.9
123.11702	3.0
131.08539	12.7
133.10130	10.3
135.08041	2.2
135.11702	10.5
147.11693	2.4
149.09608	1.9
149.13251	40.6
151.11122	2.2
159.11693	23.4
170.47144	1.7
172.19626	1.6
177.12733	10.1
177.31511	1.9
195.13782	10.2
217.43816	1.7
269.17435	32.3
269.22165	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	269.1746
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
53.03928	4.1
55.01856	4.8
55.05506	25.1
57.03190	2.6
57.03441	36.0
57.07056	4.7
61.38834	2.2
65.03917	3.2
67.05505	91.0
69.07067	33.3
70.72478	2.6
70.72835	7.2
71.04989	7.1
79.05496	50.1
79.26904	2.4
80.43052	2.2
81.03407	2.4
81.07056	100.0
82.07378	2.0
83.04974	9.5
83.08623	21.5
83.41836	2.5
85.06540	6.4
91.05496	28.3
93.07046	75.2
95.04967	8.4
95.08613	26.8
97.06519	18.1
99.08067	4.0
101.50788	2.4
105.07027	10.8
107.08593	45.2
109.06509	5.2
109.10192	5.5
111.08096	9.5
117.07000	10.6
121.10159	20.7
123.11703	4.0
131.08571	16.1
133.10133	12.1
135.11668	13.5
149.13260	48.0
150.13499	2.3
151.11195	3.1
159.11708	29.0
177.12775	7.8
184.77441	2.3
195.13799	11.9
266.48947	2.5
269.17438	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.36152	1.3
53.03943	3.8
55.01864	3.1
55.05510	21.4
57.03437	29.1
57.07063	2.4
65.03919	1.9
65.30053	1.6
67.05503	77.8
69.07069	27.2
70.79898	1.5
70.84081	3.3
71.04987	8.2
74.20944	1.5
79.05486	43.9
81.03414	1.8
81.07053	100.0
83.04978	9.6
83.08613	19.4
85.06521	6.1
91.05476	25.7
93.07041	63.7
95.04987	7.9
95.08608	23.9
97.06527	15.0
97.10188	1.9
99.08075	4.6
99.64590	1.6
105.07026	9.8
107.08595	36.8
109.06505	5.8
109.10133	3.2
111.08083	8.7
117.07024	14.2
119.08548	1.9
121.06496	3.0
121.10131	20.3
123.11694	1.5
131.08554	12.0
133.10132	11.7
135.08070	2.7
135.11696	10.2
139.11157	2.4
149.13257	39.2
153.17957	1.5
158.38980	1.5
159.11687	22.5
177.12737	10.7
195.13823	11.0
269.17487	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01863	4.9
55.05510	25.2
57.03443	30.6
57.07078	3.8
65.03957	2.5
67.05508	81.9
69.06725	2.4
69.07075	29.0
69.78955	3.4
69.79364	6.3
70.21301	1.6
71.04990	6.4
74.36192	1.6
79.05493	46.4
79.42551	1.6
81.07060	100.0
83.04972	10.1
83.08620	18.4
85.06541	5.9
91.05487	26.8
93.07045	66.2
93.07635	3.1
95.04982	10.3
95.08614	26.3
97.06538	13.6
97.10183	1.6
99.08092	3.5
105.07058	9.8
107.00512	1.4
107.07876	2.1
107.08603	39.2
109.06540	3.4
109.10162	4.7
111.08085	11.2
111.12504	1.6
113.09690	1.9
115.19775	1.4
117.07027	8.6
121.10136	19.3
123.08084	2.2
123.11723	3.5
131.08569	10.9
133.10112	11.3
135.08055	1.8
135.11681	14.4
139.11258	2.1
147.11682	1.6
149.13261	40.8
151.11174	1.8
159.11684	21.3
161.13307	1.6
161.34616	1.5
177.12801	11.4
178.08322	1.4
178.20328	1.5
195.13789	11.9
269.17453	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	4.1
55.01859	2.5
55.05508	22.3
57.03439	33.6
57.07066	5.0
67.05505	83.6
69.07061	31.5
70.05152	9.3
71.04987	8.3
79.05495	55.3
81.07058	100.0
83.04976	9.7
83.08621	20.5
84.48095	2.0
85.06535	4.4
90.94805	2.0
91.05479	24.5
93.07044	75.8
95.04968	9.7
95.08607	27.9
97.06534	14.2
97.10181	3.0
99.08096	4.1
105.07047	9.1
107.08597	40.4
109.06512	3.3
109.10175	4.1
111.08049	9.4
117.07032	9.4
119.08563	5.0
121.06381	1.8
121.10151	21.9
123.11677	3.2
125.09618	1.8
131.08560	15.6
133.10133	10.9
135.11670	11.4
139.11102	1.9
143.49406	1.7
149.13257	43.0
150.13794	1.8
159.11678	21.2
167.14331	2.1
177.12761	8.8
195.13756	8.5
196.81985	1.9
251.07188	2.3
269.08395	3.8
269.17526	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03930	3.4
55.01871	2.6
55.05509	26.3
57.03437	37.5
57.07059	4.4
57.91257	1.1
65.03931	3.0
67.05503	86.1
68.05842	1.6
69.03419	1.7
69.07068	36.2
69.95720	6.4
70.07403	1.3
71.04993	6.3
71.08630	1.4
73.02917	1.8
79.05492	50.2
81.03420	1.8
81.07057	100.0
82.07357	1.4
83.04989	12.8
83.08612	19.9
85.02872	1.2
85.06540	9.0
91.05479	33.8
93.07041	80.0
95.04399	1.9
95.04946	9.6
95.08053	1.9
95.08611	26.8
97.06530	18.3
97.10150	3.1
98.20683	1.6
99.08086	4.8
103.05457	1.5
105.07032	15.6
107.04945	3.2
107.08591	41.7
109.06509	4.8
109.10158	5.9
111.08072	9.4
111.11669	1.5
112.47998	1.3
113.09627	2.0
117.07010	11.7
119.08567	4.2
121.06490	4.8
121.10143	22.9
121.11007	1.5
122.06055	1.8
123.11699	4.0
129.07013	1.4
131.08568	12.7
133.10110	10.8
135.11681	12.0
139.11163	2.8
145.09995	1.3
147.11687	2.4
149.06001	22.4
149.09537	1.4
149.13255	47.3
151.11171	1.5
157.10194	2.8
159.11691	22.5
161.13272	1.4
167.14378	1.8
171.11641	1.9
177.12769	10.5
195.13799	11.2
213.16479	1.8
251.14728	10.1
269.13184	3.0
269.17538	28.5
269.22293	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	269.1746
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
51.15544	4.6
55.05503	25.2
57.03433	33.4
67.05505	77.4
69.07063	27.3
71.04994	5.9
71.60525	7.9
79.05483	47.8
81.07053	100.0
83.04966	7.1
83.08614	19.7
83.22792	5.7
91.05485	23.0
93.07051	74.6
95.08611	21.9
97.06527	15.8
104.99281	8.1
105.07016	9.2
107.08574	38.8
109.06509	5.5
109.10146	9.2
111.08101	17.3
116.57953	5.3
117.07005	6.9
121.10134	23.8
128.57727	5.6
130.36719	5.7
131.08524	10.2
133.10149	7.2
135.11708	18.0
141.01756	5.8
149.13235	52.2
159.11690	17.8
177.12807	10.7
195.13837	14.1
196.65594	5.6
205.65408	6.1
269.17569	18.3
269.22458	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	268.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74472	2.4
65.47751	2.4
69.80089	8.9
69.80502	6.2
87.73400	2.3
103.72897	2.4
112.89627	3.4
136.94051	7.7
162.95586	5.5
166.81403	2.5
182.28056	2.2
253.78198	2.2
268.98260	100.0
269.98642	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	269.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.6
53.03955	0.2
55.01864	0.4
55.05498	0.9
56.96551	0.3
57.03427	0.9
65.03613	0.4
65.03939	7.5
67.05235	0.2
67.05505	2.2
69.07060	1.0
69.91534	1.1
71.04977	0.2
79.05479	1.4
79.82050	0.2
81.07060	2.9
82.63765	0.2
83.01271	0.3
83.04985	0.3
83.08613	0.7
86.47569	0.2
91.05470	0.9
93.03401	4.0
93.07050	1.6
95.01326	0.7
95.04983	0.4
95.08591	0.9
97.06539	0.4
100.56487	0.2
103.01849	0.5
105.07014	0.7
105.95625	0.2
107.04942	0.3
107.08604	1.5
109.10165	0.2
109.29282	0.2
111.04439	0.8
121.02872	4.0
121.06499	0.5
121.10172	0.5
123.11635	0.3
130.68031	0.2
131.00328	0.4
131.01286	6.3
131.08522	0.3
133.10117	0.2
135.08038	0.2
135.11674	0.4
149.02336	12.0
149.13264	0.9
159.11662	0.4
161.26938	0.2
167.03398	100.0
168.03761	1.1
189.42133	0.2
191.90314	0.2
192.79570	0.2
195.13800	0.4
207.13567	0.2
256.06613	0.2
269.08115	2.2
269.17514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05504	1.4
56.05014	0.7
57.03436	0.4
58.06601	0.4
63.93362	0.3
69.07077	1.6
69.25683	2.6
69.26110	1.6
71.04995	0.6
72.04522	2.4
72.30833	0.4
72.31284	0.3
73.02915	1.4
74.06081	0.5
79.05479	2.0
80.05021	0.5
81.03426	1.2
81.07060	1.6
82.03758	0.7
82.06610	0.4
82.69996	0.3
83.04995	0.5
83.08615	0.7
91.05487	1.0
93.07058	4.0
94.06543	1.3
95.08612	1.4
96.08129	0.9
97.02914	0.3
97.06544	0.4
100.03970	0.5
102.05536	1.0
105.07024	1.0
107.08591	2.4
108.08113	10.6
109.08897	1.3
109.10107	0.5
110.09698	0.8
114.09168	0.4
119.08562	0.9
119.67120	0.4
121.10139	0.8
122.09660	8.8
122.10490	0.7
123.10461	1.5
124.11237	1.6
125.09653	0.3
126.07307	0.4
133.10149	0.6
135.11691	2.5
136.06197	1.2
136.07329	0.3
136.11221	3.4
137.13103	0.4
142.08598	0.6
149.49832	0.4
150.12776	18.6
151.13576	9.0
152.07088	2.0
152.14346	0.4
161.13261	0.6
166.08635	0.8
170.08122	1.4
170.11781	1.2
178.15897	4.3
180.10187	1.5
194.07117	0.4
194.11717	3.2
195.12567	1.1
196.13237	0.5
222.14932	1.9
224.16454	100.0
225.16806	2.7
226.18018	3.5
268.19067	42.4
269.19360	1.3
274.45139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01882	0.9
55.05504	2.4
56.05043	0.8
57.03436	0.8
57.07069	0.4
58.06598	0.5
69.07066	1.9
70.06602	0.6
70.40215	1.1
70.40641	0.6
71.05000	1.7
72.04520	2.7
73.02918	1.4
74.06075	0.7
79.05500	3.0
80.05009	0.5
81.03415	1.7
81.07045	3.0
82.03756	1.1
82.06570	0.5
82.07379	0.5
83.04987	0.5
83.08615	0.8
83.53746	0.3
84.04519	0.7
84.08115	0.4
85.06542	0.5
91.05474	1.3
93.07045	3.9
94.06562	1.7
95.04945	0.7
95.07448	0.4
95.08604	2.0
96.08150	0.6
100.03965	0.5
102.05563	0.7
105.07033	1.2
107.04898	0.4
107.08595	2.2
108.08113	12.1
108.08857	0.6
109.06522	0.6
109.08882	1.1
109.10162	0.8
110.09668	1.4
119.08575	1.0
121.06545	0.5
121.10168	0.7
122.09667	10.3
123.10442	1.4
123.11684	0.6
124.11218	1.5
131.08545	0.4
133.10153	0.6
135.04413	0.4
135.11699	2.1
136.06158	1.7
136.11214	3.8
137.05875	0.5
137.09621	0.6
149.08044	0.4
149.11986	0.5
150.12778	19.4
151.13574	8.2
152.07071	1.4
152.14352	1.7
153.15109	0.4
156.10223	0.6
160.77423	0.4
164.14453	0.4
166.08698	1.1
168.10185	0.4
170.11780	1.5
178.15912	3.8
180.10210	1.7
182.11743	1.2
194.11743	3.6
195.12508	1.0
196.13303	0.5
196.16957	0.6
217.85710	0.4
222.14891	1.5
224.16449	100.0
225.16777	2.4
226.18022	4.2
250.17941	0.6
268.19061	45.0
269.19495	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.59813	0.2
57.03423	0.5
60.18738	0.2
69.03382	0.2
71.32148	0.5
73.02917	0.2
94.04029	0.5
119.03555	1.0
119.70234	0.2
136.06183	100.0
137.04523	0.4
137.06577	0.3
217.73024	0.2
268.10382	3.7
273.86130	0.2
285.29068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1178
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
53.03936	0.5
57.03439	1.4
69.24636	0.3
71.04616	0.5
74.02393	0.3
76.20016	0.3
77.03882	0.4
85.02901	15.7
90.94305	0.3
91.05479	2.6
93.07037	6.7
95.04952	1.0
99.96613	0.3
103.05460	3.5
105.04510	0.3
114.79653	0.3
121.06498	100.0
122.06849	1.5
127.67281	0.3
130.05037	0.5
131.03403	0.6
136.06174	0.4
138.09134	18.5
168.03365	0.3
204.10184	4.0
222.11241	24.2
223.11546	0.6
250.10625	0.6
254.90089	0.3
268.06161	1.1
268.11841	5.5
277.56906	0.3
288.65372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93520	1.5
61.18932	1.2
61.22150	1.2
66.10944	1.1
71.58289	1.7
71.58652	1.7
71.70094	1.3
72.80099	1.1
74.02444	20.8
77.04244	2.0
84.08141	3.5
85.02958	1.4
88.03992	38.6
89.24842	1.1
91.05836	1.7
91.49202	1.6
93.03745	2.2
107.04957	100.0
112.59749	1.1
116.03465	13.2
121.06542	3.2
124.03890	1.4
134.04488	53.0
136.06178	13.3
143.08607	1.9
160.05269	2.5
161.05994	3.0
162.05534	1.6
163.03847	1.5
164.07039	2.9
171.08078	2.4
177.07861	20.2
177.09306	1.8
181.96614	3.2
199.97659	3.1
206.11768	85.1
250.07176	2.5
250.14413	14.1
268.15417	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	267.1953
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
51.99537	0.8
52.69325	0.8
53.03961	1.0
55.01867	1.6
55.05512	4.7
56.96577	0.7
57.03438	2.4
67.05507	14.3
69.03429	100.0
69.07064	5.5
71.04981	1.8
71.08652	0.9
71.59093	1.0
79.05495	9.7
81.03408	11.0
81.07052	19.6
83.04979	2.3
83.08627	4.7
85.06557	2.3
91.05476	13.4
93.07039	11.4
95.04960	5.0
95.08604	12.3
97.06538	11.1
99.08144	0.9
105.07027	10.0
107.04980	1.1
107.08588	9.3
109.06520	6.7
109.10144	8.7
111.04430	1.8
111.08075	2.1
119.08572	6.7
121.06536	1.2
121.10148	6.2
123.08069	4.8
123.11688	1.9
125.05962	0.8
125.09618	1.3
129.06976	1.4
131.08574	2.5
133.10127	18.6
135.08014	1.4
136.06171	1.5
137.09636	3.9
143.08528	1.3
147.11676	3.7
149.09642	4.2
149.13251	2.6
151.11145	5.9
157.10139	3.5
159.11754	0.9
161.09680	0.9
165.12816	1.2
173.13193	0.8
175.11125	2.8
189.16382	3.4
193.12274	2.3
197.06377	0.9
199.14821	2.7
207.17456	4.0
208.08624	0.9
217.15833	4.3
235.16916	21.1
267.15961	2.4
267.19522	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1954
Annotation	(R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
50.41593	1.1
55.01870	1.9
55.05503	4.6
56.96565	1.2
57.03430	2.4
66.43546	1.1
67.05505	15.7
69.03430	100.0
69.07069	5.6
69.59887	6.2
69.60316	1.8
71.04987	2.6
79.05496	11.8
79.34193	1.0
81.03415	11.8
81.07056	19.9
83.04974	2.8
83.08600	3.6
85.06541	1.5
90.63161	1.1
91.05488	14.1
93.07055	9.9
95.04964	4.7
95.08607	12.7
97.06537	8.7
98.98489	1.0
99.08066	1.1
105.07028	11.9
107.08591	7.6
109.06520	6.4
109.10147	7.3
111.04477	1.8
111.08089	3.5
119.08584	4.7
121.06515	1.2
121.10157	4.8
123.08083	5.3
123.11688	3.8
127.07583	2.1
129.07007	2.6
131.08566	3.1
133.10127	19.4
133.11079	1.4
135.11749	1.2
136.06207	1.9
137.09639	4.1
139.07539	1.3
143.08658	1.4
147.11725	5.2
149.09586	4.1
149.13289	1.4
151.11200	7.6
157.10130	3.2
159.11708	1.2
161.09592	1.2
175.11142	2.8
180.74026	1.2
189.16382	5.0
193.12303	2.8
199.14796	3.8
207.17468	3.8
217.15926	4.8
235.16940	24.1
267.16000	4.4
267.19556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03944	4.0
55.01878	3.3
55.05511	10.6
56.96570	0.9
57.03435	23.4
65.03929	0.8
67.05500	23.2
69.03429	2.8
69.07062	4.8
70.10654	2.0
70.11065	1.1
71.04995	1.6
78.67725	0.5
79.05490	19.5
81.03414	100.0
81.07050	25.5
82.03745	0.7
83.04984	7.0
83.08618	14.7
85.02900	0.8
85.06544	1.5
91.05481	24.0
93.07037	12.5
94.99863	0.6
95.04961	25.3
95.08606	10.3
97.02890	2.3
97.06506	3.7
97.10169	1.7
99.04462	0.6
99.08101	1.3
105.07023	21.6
107.04945	6.2
107.08600	5.6
108.88486	0.5
109.06511	5.1
109.10142	3.0
111.04436	2.0
111.08077	5.4
113.06034	0.7
115.05465	1.3
116.06280	0.8
117.07014	2.2
119.04970	1.3
119.08582	16.8
121.06506	2.7
121.10133	6.6
123.04436	0.7
123.08088	2.1
123.11685	2.8
128.06172	0.7
129.05548	0.8
129.07011	9.5
131.08562	9.7
133.06493	3.4
133.10130	7.2
135.08066	0.7
135.11693	1.5
137.09583	1.2
142.07758	2.5
145.10130	2.6
147.08057	2.4
147.11681	14.0
149.09610	4.8
151.11150	1.0
157.10129	11.2
163.11041	0.6
165.12762	3.8
169.10127	1.4
171.11716	0.9
173.13356	0.9
175.11171	12.1
191.03406	0.9
193.12247	17.4
197.01198	0.8
211.11443	0.7
211.13272	2.7
220.08995	0.7
227.02466	0.8
249.14914	1.3
257.12210	0.6
267.15897	36.7
267.20984	2.2
268.16302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.72247	0.9
53.03949	4.7
55.01868	1.9
55.05508	7.2
57.03437	19.9
58.09400	0.8
67.05498	11.5
69.03419	1.5
69.07061	2.3
69.60092	0.8
70.85235	2.9
71.04989	2.5
79.05490	11.9
80.58260	1.0
81.03417	100.0
81.07058	12.0
83.04981	5.3
83.08620	13.1
85.08746	0.9
91.05479	17.0
93.07034	7.4
95.04967	24.2
95.08601	3.9
97.02875	2.4
97.06506	2.1
97.10162	1.4
105.07030	12.1
107.04971	6.5
107.08578	3.6
109.06521	2.3
109.10112	0.9
111.04436	1.0
111.08105	6.1
115.05527	1.2
119.08588	10.9
121.06534	1.1
121.10167	4.6
123.08011	1.7
123.11751	1.2
129.07027	7.7
131.08569	5.3
133.06497	1.8
133.10124	4.2
137.09612	1.1
138.08432	1.0
142.07759	2.4
147.08026	2.4
147.11679	8.3
149.09584	3.8
157.10141	8.4
165.12704	1.9
175.11171	8.1
193.12236	15.0
211.13263	1.9
219.89117	0.9
267.13037	1.6
267.15921	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	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61098	1.0
51.44838	1.1
60.04522	14.5
65.03931	1.7
70.02957	3.5
70.76760	2.5
70.77137	2.4
72.37328	1.1
88.03986	65.2
91.05478	90.8
98.20688	1.1
102.05537	100.0
142.43761	1.3
146.06015	1.7
148.04843	2.5
148.06042	52.1
165.57167	1.0
206.08192	1.7
220.09703	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	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72916	0.3
59.05010	0.6
61.02917	1.0
66.98183	0.3
67.36137	0.3
68.11308	0.4
69.81979	0.6
69.82390	1.4
71.04987	2.0
79.05505	1.0
81.07053	3.0
84.04497	1.5
90.06652	0.3
91.05476	0.9
94.04050	1.1
102.05550	0.7
113.09607	0.5
119.03542	2.1
130.04987	1.6
136.06186	100.0
137.04620	2.2
137.06569	0.6
148.06067	0.6
172.17274	0.3
190.29544	0.4
234.13496	18.3
235.13705	0.4
266.16116	39.8
267.16208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35014	3.2
53.03946	3.0
55.05508	49.1
56.96574	4.7
57.07079	21.4
58.97773	3.3
65.03924	3.4
67.05503	92.8
69.07067	68.9
69.23186	2.9
71.04998	7.0
71.08624	10.8
71.22842	2.8
71.59213	4.5
77.72641	3.1
79.05490	39.5
81.03448	4.0
81.07055	100.0
83.04994	4.7
83.08621	46.2
85.06523	7.4
85.10175	9.1
87.75153	3.2
91.05482	13.7
93.07037	47.4
95.04951	4.0
95.08605	78.4
97.06544	14.8
97.10167	41.0
105.07024	6.3
107.04923	6.4
107.08588	28.4
109.10149	35.5
111.08072	11.6
111.11716	17.7
117.07006	3.1
118.09213	2.7
119.08604	6.1
120.98438	3.3
121.10152	50.5
123.11724	17.5
130.81180	2.9
131.08601	4.7
133.10175	3.8
135.11694	40.9
137.13269	8.3
139.11215	3.8
149.13257	21.2
151.14851	3.1
163.14828	5.5
165.16389	6.7
177.12737	3.7
180.14485	3.3
182.26135	3.0
191.17978	6.3
234.10281	4.5
235.07513	8.6
247.24205	23.9
250.10023	6.4
265.12195	8.2
265.25256	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03932	2.7
55.05511	74.9
57.03427	4.7
57.07074	34.2
65.03936	2.7
67.05507	85.2
69.07067	100.0
71.04992	5.2
71.08637	16.6
79.05070	2.6
79.05496	42.3
81.07053	95.1
82.21848	1.8
83.04998	3.8
83.08617	70.2
85.06527	5.7
85.10183	7.2
91.05457	7.4
93.07043	53.1
95.04936	4.4
95.08608	89.0
97.06528	26.9
97.10166	45.5
99.08080	5.4
105.07001	2.9
107.04921	3.0
107.08591	37.3
109.10156	42.3
111.08083	14.9
111.11723	16.1
111.29337	1.8
119.08627	2.7
120.57764	1.6
121.10143	75.3
123.11695	15.0
125.09632	2.1
125.13253	3.3
131.08539	2.0
134.96663	1.8
135.10690	3.5
135.11696	59.5
137.13234	7.3
139.11127	3.7
149.13258	27.8
151.14799	6.7
155.14366	2.4
163.14806	6.8
165.16422	5.2
175.55527	2.1
177.16389	5.4
188.80513	1.8
191.18034	2.8
205.19511	2.2
218.11473	1.9
235.07596	2.7
247.24203	46.7
265.12219	5.1
265.17981	3.0
265.25262	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2161
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.00283	1.5
53.03946	1.6
54.82215	1.5
55.01870	3.6
55.05515	15.4
57.03426	2.8
57.07067	4.2
67.05503	73.0
68.98286	1.6
69.07069	11.5
71.04978	3.0
71.08628	42.8
71.59035	2.5
77.33873	1.7
79.05494	19.5
81.03416	3.1
81.07054	100.0
83.04974	4.1
83.08616	8.6
83.38366	1.4
83.47840	1.3
85.06541	2.1
91.05477	20.1
93.07042	22.2
95.04968	3.5
95.08604	72.9
97.06527	4.5
97.10157	4.3
99.08091	37.5
105.07015	7.8
107.08592	11.9
109.06525	3.2
109.10149	32.9
117.07007	2.3
119.08572	4.3
121.10146	9.9
123.11727	16.2
131.08580	7.6
133.10130	17.4
135.11697	8.0
137.09633	1.9
137.13235	5.8
139.11255	1.9
145.10114	3.1
147.11674	2.6
149.09625	3.1
149.13242	5.9
151.11150	5.1
151.14915	1.5
159.11710	3.4
163.11151	3.6
163.14821	2.1
167.14317	3.5
173.13235	3.5
177.12698	2.5
179.08551	2.1
187.14854	1.6
191.08534	2.4
195.13918	2.4
229.19505	2.1
234.10457	4.2
235.07443	3.6
247.20599	4.6
250.09958	3.1
265.12225	5.8
265.18628	2.1
265.21649	35.7
265.24765	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03947	8.0
55.05507	14.2
65.03952	6.9
67.05495	30.0
69.03432	33.5
69.14662	4.5
69.63779	10.7
69.64183	34.7
70.78659	5.2
71.04977	13.9
79.05489	24.6
81.07058	22.8
81.63805	4.8
82.93812	5.4
83.04983	9.6
91.05488	67.3
93.03406	7.8
93.07042	48.2
95.04974	53.5
95.08615	26.3
97.06529	10.8
99.04424	6.8
102.60285	5.0
103.05461	9.3
105.07024	84.7
107.04942	6.1
107.08586	24.9
109.02841	6.7
109.06512	33.0
109.10167	6.0
111.04463	39.9
111.08089	12.1
113.05981	13.0
117.07024	28.7
118.06561	6.4
119.08585	100.0
120.08109	67.8
121.02882	15.8
121.06508	46.7
121.10128	16.4
123.08063	24.0
128.06239	10.7
129.07008	19.6
130.07764	10.0
131.04984	5.6
131.08583	44.2
133.06506	14.4
133.10130	15.5
135.08063	74.8
136.07599	9.7
137.09599	18.9
139.03941	11.0
139.07538	6.5
141.06950	10.6
142.07771	14.5
143.08556	13.4
144.09389	8.5
145.06467	21.9
145.10127	33.5
146.07253	12.1
147.08043	43.8
147.11678	10.7
149.05978	5.9
149.09615	11.2
153.07025	9.2
155.08492	6.5
156.09354	7.8
157.10121	20.5
158.07300	26.8
159.08061	39.8
159.11700	35.4
161.09634	42.2
161.13213	6.7
163.07495	5.6
165.09087	32.6
165.55684	4.5
168.09317	9.1
169.10063	6.0
171.11719	9.8
172.08835	22.3
173.09624	20.5
173.13240	22.5
175.07574	72.3
175.11169	39.6
178.08594	7.9
181.04984	10.1
181.10063	5.8
183.11729	15.0
185.09624	9.1
186.10408	6.2
187.11200	50.8
189.09026	6.7
189.12772	15.9
191.10703	5.9
193.08569	23.2
193.10168	5.9
196.08841	14.5
199.11229	23.3
201.12758	42.6
202.08597	6.9
203.10684	40.0
205.12267	9.6
211.11145	18.4
213.97321	5.7
217.12283	31.9
219.13702	8.2
229.12219	30.6
235.13277	8.4
247.13232	38.8
265.11844	49.7
265.14465	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
55.01855	3.2
55.05509	8.5
56.96546	2.1
57.03427	1.6
57.07072	12.7
59.04982	5.8
61.19440	1.5
65.03922	5.3
67.05499	10.0
67.45258	1.8
68.02953	1.3
68.99775	5.4
69.03425	11.6
69.07046	5.8
70.22610	6.3
71.04971	2.4
73.06544	5.5
79.05490	15.4
81.07060	8.7
81.76044	1.6
83.01356	1.8
83.04977	16.0
83.08616	4.2
85.02889	6.2
85.60210	1.8
91.05475	21.9
93.03420	3.6
93.07043	20.2
95.04961	9.9
95.08601	11.0
97.02864	2.7
97.06535	13.7
98.97555	2.5
103.05463	4.6
105.07027	15.7
107.04935	3.1
107.08591	37.6
109.06521	24.5
109.10130	6.6
111.04470	7.7
111.08077	14.5
113.02371	3.4
115.05466	4.4
116.98607	1.7
117.07016	17.3
119.08583	29.7
120.08108	22.9
121.02829	3.6
121.06498	35.0
121.10146	9.7
122.53579	1.6
123.04417	2.7
123.08062	7.6
125.05928	2.8
125.09630	5.2
128.06160	1.8
129.06947	3.5
130.07642	1.5
131.04913	3.0
131.08560	6.2
133.06456	1.5
133.10121	6.2
134.99606	1.8
135.04390	1.6
135.08052	52.2
135.11665	11.1
137.05971	3.4
137.09550	3.2
139.03918	5.8
139.07530	6.1
140.41049	1.5
143.08566	2.5
144.09320	2.2
145.06483	14.1
145.10115	7.5
147.08032	8.1
149.05994	8.7
149.09595	4.7
149.13251	1.9
151.07526	19.2
152.10716	5.9
153.09088	12.2
155.08511	1.8
157.10127	2.1
158.10893	2.4
159.08060	2.7
159.11697	10.2
161.01192	1.8
161.09647	6.9
161.13255	2.2
163.03931	2.3
163.07545	46.3
163.11171	5.6
165.09109	3.7
166.08652	5.5
167.03499	3.4
167.07077	1.8
168.09343	1.8
169.10097	1.6
170.10956	1.7
172.08821	3.0
173.05937	3.7
173.09642	3.4
173.13266	7.7
177.12755	11.9
181.08585	27.7
184.50365	1.4
185.13315	1.8
187.11195	15.3
189.09125	2.2
191.07048	8.6
192.13829	3.0
201.12706	9.3
205.12228	17.5
207.10210	2.9
209.08083	35.3
219.13791	6.3
220.13295	4.8
227.09061	1.5
229.12180	6.2
235.07489	2.1
247.13185	10.1
248.12842	5.1
252.87419	1.6
265.14349	100.0
266.14636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.2
55.05509	8.5
56.96546	2.1
57.03427	1.6
57.07072	12.7
59.04982	5.8
61.19440	1.5
65.03922	5.3
67.05499	10.0
67.45258	1.8
68.02953	1.3
68.99775	5.4
69.03425	11.6
69.07046	5.8
70.22610	6.3
71.04971	2.4
73.06544	5.5
79.05490	15.4
81.07060	8.7
81.76044	1.6
83.01356	1.8
83.04977	16.0
83.08616	4.2
85.02889	6.2
85.60210	1.8
91.05475	21.9
93.03420	3.6
93.07043	20.2
95.04961	9.9
95.08601	11.0
97.02864	2.7
97.06535	13.7
98.97555	2.5
103.05463	4.6
105.07027	15.7
107.04935	3.1
107.08591	37.6
109.06521	24.5
109.10130	6.6
111.04470	7.7
111.08077	14.5
113.02371	3.4
115.05466	4.4
116.98607	1.7
117.07016	17.3
119.08583	29.7
120.08108	22.9
121.02829	3.6
121.06498	35.0
121.10146	9.7
122.53579	1.6
123.04417	2.7
123.08062	7.6
125.05928	2.8
125.09630	5.2
128.06160	1.8
129.06947	3.5
130.07642	1.5
131.04913	3.0
131.08560	6.2
133.06456	1.5
133.10121	6.2
134.99606	1.8
135.04390	1.6
135.08052	52.2
135.11665	11.1
137.05971	3.4
137.09550	3.2
139.03918	5.8
139.07530	6.1
140.41049	1.5
143.08566	2.5
144.09320	2.2
145.06483	14.1
145.10115	7.5
147.08032	8.1
149.05994	8.7
149.09595	4.7
149.13251	1.9
151.07526	19.2
152.10716	5.9
153.09088	12.2
155.08511	1.8
157.10127	2.1
158.10893	2.4
159.08060	2.7
159.11697	10.2
161.01192	1.8
161.09647	6.9
161.13255	2.2
163.03931	2.3
163.07545	46.3
163.11171	5.6
165.09109	3.7
166.08652	5.5
167.03499	3.4
167.07077	1.8
168.09343	1.8
169.10097	1.6
170.10956	1.7
172.08821	3.0
173.05937	3.7
173.09642	3.4
173.13266	7.7
177.12755	11.9
181.08585	27.7
184.50365	1.4
185.13315	1.8
187.11195	15.3
189.09125	2.2
191.07048	8.6
192.13829	3.0
201.12706	9.3
205.12228	17.5
207.10210	2.9
209.08083	35.3
219.13791	6.3
220.13295	4.8
227.09061	1.5
229.12180	6.2
235.07489	2.1
247.13185	10.1
248.12842	5.1
252.87419	1.6
265.14349	100.0
266.14636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85098	1.4
54.01501	1.2
55.05505	4.2
56.96568	1.2
67.05501	7.2
69.07065	2.8
69.38973	6.4
69.39397	6.2
70.45464	1.2
79.05490	4.7
81.03398	2.9
81.07053	5.9
86.68367	1.3
90.64806	1.1
91.05478	4.3
93.07030	2.4
95.04948	3.1
95.08603	4.1
105.07023	2.1
107.04992	1.5
107.08572	2.0
109.06489	2.4
109.10163	1.7
111.08086	1.5
119.08555	1.7
121.02921	1.5
121.06507	1.5
121.09257	1.4
121.10111	2.7
129.06958	1.4
131.08577	2.2
153.06784	1.2
163.86966	1.3
191.08582	1.4
207.08099	1.5
234.10399	2.6
235.07487	1.9
250.09924	1.4
265.14148	100.0
266.14505	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	265.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05499	2.5
67.05518	5.5
67.10653	1.0
69.07066	2.7
69.34618	1.0
71.04990	1.5
71.59109	1.5
79.05485	4.1
81.03413	2.3
81.07062	6.7
83.04982	1.5
85.06536	1.4
89.78439	1.1
91.05489	2.4
93.07038	2.2
95.04950	2.0
95.08625	5.5
97.06544	1.5
105.07008	1.8
107.04990	2.5
107.08591	2.9
109.06499	1.6
109.10139	2.7
116.88044	1.1
119.08572	2.1
121.02895	1.1
121.06541	1.3
121.10190	1.0
123.08091	2.2
123.11677	1.5
145.06532	1.1
145.10161	1.8
191.08568	1.4
234.10376	1.4
235.07384	3.0
250.09915	2.0
265.14154	100.0
266.14478	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03937	4.3
53.10337	3.6
55.05509	10.2
55.76772	3.7
65.03942	12.9
67.05501	29.3
69.03432	43.6
69.07080	3.6
70.68837	13.1
71.04977	9.0
76.77679	3.7
79.05499	20.6
81.07039	20.0
83.04960	9.9
91.05482	63.8
93.03398	6.3
93.07041	45.0
95.04969	52.5
95.08606	26.4
97.02889	6.9
97.06519	8.6
99.04446	5.9
103.97475	4.0
105.07031	77.9
105.07691	6.7
107.04969	4.5
107.08592	23.6
109.06522	34.2
109.10107	8.4
111.04426	42.0
111.08066	8.9
113.05998	16.4
115.05442	10.5
116.06260	7.6
117.07024	19.6
119.08579	100.0
121.02849	10.4
121.06500	47.0
121.10153	14.4
123.08038	22.9
128.06244	10.0
129.07007	22.4
130.07785	8.6
131.08577	47.2
133.06496	12.1
133.10132	23.1
135.08051	82.8
137.09598	15.8
139.03893	11.0
139.07556	10.5
141.06949	8.3
142.07793	16.1
143.08614	21.4
144.05685	6.2
144.09319	11.5
145.02872	8.3
145.06496	13.4
145.07523	3.4
145.10101	33.1
147.08061	50.4
147.11693	16.0
149.05971	5.3
149.09621	12.8
151.07520	5.3
153.09090	6.0
155.08594	10.5
156.09348	12.8
157.06538	7.2
157.10135	23.7
158.07257	21.3
159.08046	44.1
159.11681	40.3
160.08792	5.7
161.09601	44.4
165.09137	30.0
168.09373	5.0
169.10156	7.2
171.08003	8.0
171.11745	9.0
172.08853	26.0
173.09647	20.6
173.13293	22.9
175.07556	76.2
175.11188	38.8
177.05473	9.5
181.06503	5.6
183.11691	12.7
185.09630	9.9
186.10399	5.9
187.11179	48.4
189.09097	15.6
189.12735	13.6
193.08562	21.8
193.10065	6.4
196.08780	6.3
199.11208	18.3
201.12750	35.5
203.10670	40.5
211.11252	18.6
217.12183	18.8
219.13893	7.9
229.12207	26.3
235.13251	7.5
247.13319	37.9
265.14313	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	264.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18006	0.3
56.96560	0.5
57.07073	6.2
59.99109	5.6
69.02455	0.3
71.59187	0.3
71.59561	0.4
79.05503	2.0
89.01733	0.4
95.04961	0.5
95.08611	0.4
98.97545	0.6
102.99646	3.9
104.05017	0.4
104.07034	0.3
105.07063	0.4
106.06551	100.0
107.06884	0.7
132.04437	0.7
133.10112	0.4
146.99745	0.4
147.08075	0.3
149.07103	3.7
150.96724	0.3
159.05931	0.4
166.03236	0.5
189.09102	0.8
199.32422	0.3
208.05389	47.9
209.05746	0.5
219.01953	0.4
234.29066	0.3
237.02600	0.4
264.11661	7.4
264.19504	0.8
278.99011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05514	22.2
56.01155	2.3
57.07077	22.9
67.05508	87.2
69.03407	2.4
69.07063	25.1
71.04977	2.8
71.08620	8.7
71.21008	5.8
76.50273	2.4
79.05497	27.0
79.90108	2.1
81.07059	100.0
83.04974	3.8
83.08605	16.8
85.06535	8.1
85.10187	6.0
91.05484	33.4
93.07047	35.6
95.04940	3.9
95.08610	87.3
97.06526	11.7
97.10172	10.8
99.08092	6.8
100.83947	2.6
105.07042	26.7
107.08602	19.7
109.10169	41.0
111.08070	7.0
111.11706	2.8
112.08714	2.4
113.09655	3.2
119.08580	23.9
121.10143	22.8
123.08031	4.2
123.11703	15.8
125.09635	2.7
127.11163	3.2
133.10155	29.3
135.11725	15.2
137.09650	4.5
137.13239	10.4
138.06497	2.8
141.12714	2.9
147.11681	21.0
149.13223	11.9
151.11145	3.6
151.14824	6.9
161.13223	19.0
163.06000	2.5
163.14836	13.1
165.12708	3.7
165.16367	6.7
175.14786	9.6
179.18007	3.4
188.41666	2.3
189.16420	8.1
203.17905	3.1
206.20822	2.4
217.19533	2.8
219.21162	3.5
245.22661	57.6
263.23706	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.73526	1.6
53.03933	2.3
55.05511	20.9
57.03412	1.8
57.07069	13.5
65.03928	3.4
65.04248	1.7
67.05502	93.1
69.07063	16.4
70.17986	6.9
71.08624	5.7
79.05488	23.7
80.06279	1.7
81.07052	100.0
82.38014	1.6
83.04944	1.9
83.08623	15.0
85.06548	5.9
85.10189	1.9
91.05482	19.9
93.07040	26.3
95.04992	2.6
95.08604	91.1
97.06520	7.1
97.09628	1.6
97.10161	9.2
99.08096	5.0
105.07016	11.7
107.08572	13.6
109.10152	39.6
111.08053	4.7
113.09661	2.2
119.08598	11.9
121.10139	15.9
123.08047	2.2
123.11707	17.7
127.11234	1.9
133.10123	16.2
135.11682	9.5
137.09616	2.1
137.13251	7.1
147.11696	8.3
149.13240	8.3
151.14803	7.7
161.13228	9.5
163.14827	8.5
165.16374	7.9
167.14427	1.6
175.14838	7.1
177.16258	1.7
179.17961	4.6
181.15923	3.2
189.16425	3.4
223.88982	1.6
245.22664	26.6
263.23691	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	1.9
55.01874	0.7
55.05511	16.6
57.03434	1.9
57.07072	11.0
64.64725	0.5
65.03931	2.4
67.05503	87.8
68.05808	0.7
69.03405	0.6
69.07067	17.7
70.42723	2.0
71.04990	1.7
71.08634	6.0
74.81077	0.5
79.05490	24.8
79.27975	0.6
81.07056	100.0
82.07407	1.3
83.04980	2.1
83.08615	13.9
84.67320	0.6
85.06538	5.3
85.10163	2.7
91.04910	0.6
91.05478	19.3
93.07043	24.2
95.04976	2.1
95.08604	86.7
96.08967	0.7
97.06535	7.6
97.10165	5.8
99.08086	6.3
105.07032	11.3
107.08590	12.9
109.06513	1.6
109.10154	43.9
111.08090	4.4
111.11707	1.0
113.09638	3.7
119.08572	13.4
121.09461	0.4
121.10137	16.1
123.08045	2.7
123.11703	18.0
125.09644	1.2
127.11195	1.8
131.08514	1.1
133.09113	0.7
133.10124	14.7
135.11685	9.6
137.09610	2.4
137.13234	7.6
139.11183	0.8
141.12701	1.1
147.11678	10.1
149.13261	8.8
151.14792	6.6
155.14203	0.8
161.13260	10.7
163.14821	7.7
165.12744	1.2
165.16391	10.1
167.14337	1.1
175.14844	8.2
177.16403	2.1
179.14470	0.5
179.17964	3.1
181.15863	1.3
189.16408	3.9
191.17926	0.8
193.15785	0.7
203.17955	1.9
207.17551	0.9
209.14253	0.5
217.19443	1.5
219.21112	0.8
234.46909	0.7
237.36481	0.6
245.22650	28.2
263.23700	54.8
264.24036	1.0
272.52658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	1.6
55.05513	14.6
56.31533	0.9
57.03434	2.1
57.07074	13.2
65.03942	2.2
67.05504	88.4
69.07066	15.9
69.83996	5.7
71.04982	1.7
71.08633	6.1
76.11454	0.9
79.05064	1.4
79.05494	21.4
80.09936	0.9
81.07055	100.0
83.04972	2.3
83.08619	13.0
85.06544	5.5
85.10184	3.0
91.05474	17.9
93.06471	1.6
93.07043	23.4
95.04961	2.5
95.08606	86.8
97.06535	8.8
97.10176	6.9
99.08078	5.5
105.07025	11.2
107.08597	15.1
109.06541	2.0
109.10155	43.6
109.38420	1.0
109.55957	0.8
111.08085	5.2
111.11700	1.4
113.09647	3.5
119.08584	10.5
121.10141	15.2
123.08032	2.8
123.11694	19.4
125.09611	1.5
127.11244	1.3
133.10129	14.4
135.11700	8.1
137.09612	2.1
137.13231	8.2
139.11153	1.1
141.12752	1.9
147.11673	11.5
149.13269	8.0
151.11182	1.6
151.14789	7.6
161.13245	8.6
163.14859	6.4
165.16402	8.5
167.14270	1.1
175.08846	1.0
175.14813	6.4
177.16293	1.5
179.17943	2.7
189.16391	3.2
203.18021	1.1
217.19456	2.5
245.22636	28.7
263.14639	1.5
263.23700	59.3
264.24200	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.78754	0.7
52.59377	0.7
53.03936	2.0
54.45355	0.7
55.01868	1.4
55.05273	1.3
55.05512	17.5
57.03413	1.2
57.07078	10.8
65.03940	2.0
65.26060	1.0
65.62022	0.7
66.92471	0.8
67.05504	85.2
69.06723	1.0
69.07068	14.8
69.45290	5.0
69.45712	3.1
71.04983	1.8
71.08632	6.7
79.05491	23.9
81.07056	100.0
82.07366	0.9
83.04978	1.8
83.08614	14.4
85.06536	3.0
85.10175	3.0
87.17207	0.9
91.05479	19.2
92.40310	0.8
93.06468	1.6
93.07041	24.6
94.39297	0.8
95.04949	2.0
95.08606	83.0
96.08937	1.1
97.06545	7.1
97.10178	7.2
99.08107	5.3
99.08665	0.9
99.88110	0.9
105.07037	11.2
107.08598	16.1
109.06531	1.3
109.10156	45.4
111.08083	5.3
113.09636	3.0
119.08587	12.9
121.10140	15.3
123.08065	2.8
123.11709	17.1
125.09667	1.1
125.16427	0.8
127.11181	1.3
133.10120	15.1
135.11696	11.3
137.09634	2.1
137.13234	7.5
140.73929	0.9
141.12688	1.8
147.11700	9.8
149.13264	6.4
151.03879	1.0
151.11105	0.9
151.14819	8.0
161.13246	9.4
163.14792	6.7
165.16400	9.3
167.14392	1.0
175.14864	7.3
177.16425	2.1
179.17967	3.1
181.15895	1.5
189.16359	2.4
195.17514	0.9
203.18036	1.2
204.13353	1.0
245.22639	27.0
247.11623	2.5
248.12495	1.6
263.14713	14.2
263.23697	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03952	1.2
53.44332	1.3
55.05301	1.5
55.05514	17.2
55.18837	1.2
55.41622	1.3
57.03429	2.3
57.07073	12.6
65.03934	3.1
67.05503	89.3
69.07076	15.3
70.22104	3.1
70.22497	2.4
71.05024	1.3
71.08619	4.8
79.05495	22.2
81.07058	100.0
82.07364	1.4
83.08611	14.4
85.06547	4.8
85.10179	3.7
91.05480	17.3
93.07050	22.9
95.04977	3.3
95.08607	87.6
96.08949	2.2
97.06530	8.1
97.10172	6.2
98.20866	2.1
99.08096	5.7
100.72284	1.7
102.38542	1.3
105.07052	9.6
107.08588	16.5
109.06469	1.9
109.10159	47.2
111.08070	5.3
113.09662	2.3
119.08584	12.1
121.10138	17.6
123.08087	3.0
123.11697	20.1
125.09610	1.7
127.11206	2.1
130.81534	1.4
133.10130	15.1
135.11678	10.4
137.09615	3.2
137.13193	6.7
147.11685	10.0
149.13289	8.6
151.14827	7.2
161.13275	9.0
163.14790	7.3
165.16432	9.8
175.14848	7.7
177.16414	2.2
179.17955	4.4
181.15730	1.5
189.16409	3.4
203.17883	1.5
245.22659	29.3
263.09430	1.5
263.23712	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03933	2.4
55.01872	1.9
55.05511	12.6
57.03429	2.7
57.07072	10.5
60.83247	1.5
65.03915	1.9
67.05502	90.9
69.07067	17.2
70.47691	1.5
71.04957	1.8
71.08627	6.2
75.93341	1.7
79.05492	24.3
81.07055	100.0
83.04994	2.6
83.08624	13.6
85.06530	4.4
85.10188	3.4
85.37843	1.8
91.05470	20.3
93.07053	21.3
95.08604	84.2
97.06537	5.6
97.10147	7.1
98.20739	5.2
99.08092	7.0
105.07032	9.5
107.08595	14.4
109.09461	3.6
109.10153	40.9
111.08072	4.6
113.09622	2.4
119.08568	9.7
121.10127	18.2
123.08057	3.2
123.11706	15.6
125.09616	3.0
133.10158	10.5
135.11639	9.5
137.13213	8.7
139.75525	1.9
147.11708	9.4
149.13258	9.1
151.14798	9.2
157.07619	1.9
161.13281	9.8
163.14799	7.9
165.16359	10.1
171.08939	1.8
175.14810	7.4
177.16344	3.4
189.16425	3.8
245.22656	30.6
263.23715	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.83965	4.0
53.03929	5.8
55.05498	16.5
57.03448	5.4
57.07057	15.6
64.68591	4.5
67.05181	7.1
67.05505	95.5
69.07067	21.4
71.08630	10.9
71.60191	6.5
79.05498	25.5
81.07053	96.3
83.08613	15.5
85.06519	5.7
88.42356	3.8
91.05487	20.4
93.07043	33.1
95.08055	7.1
95.08612	100.0
97.06527	9.0
97.10181	6.1
98.11809	4.3
105.07029	18.4
107.08592	26.3
109.10162	42.0
119.08581	18.5
121.10119	24.1
123.08048	4.8
123.11687	16.8
133.10098	19.8
135.11678	15.2
137.13245	7.7
147.11674	13.1
149.13248	12.2
161.13263	11.9
163.14781	4.8
175.14830	10.5
189.16400	6.6
245.22609	32.3
263.23718	39.9
264.13318	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
50.13816	2.1
50.92092	1.9
52.66942	2.1
53.03942	7.5
55.01862	6.1
55.05263	3.7
55.05511	43.9
57.03432	5.3
57.07069	8.4
65.03951	5.2
66.60554	1.8
67.05505	97.7
68.86069	1.8
69.03422	8.7
69.06725	2.4
69.07070	35.0
70.68659	1.8
70.84512	2.9
70.84823	3.0
71.04974	5.9
71.08622	2.3
79.05013	2.0
79.05490	62.1
81.03403	7.8
81.07054	83.1
83.04979	7.4
83.08630	19.3
85.06547	2.9
90.24594	2.1
91.05480	39.3
93.07046	80.4
95.04955	21.4
95.08608	80.0
97.02895	4.7
97.06522	8.8
97.10172	12.2
99.08098	2.3
104.99284	4.7
105.07029	28.5
107.04966	2.6
107.07867	3.3
107.08593	54.6
109.06521	12.2
109.10155	52.1
111.08072	3.4
117.07011	8.7
119.08588	28.2
121.06493	7.1
121.10144	46.9
123.08091	13.8
123.11718	8.4
125.09615	8.7
129.07008	6.6
131.08571	7.2
133.06497	2.6
133.10110	24.8
135.08051	5.9
135.11696	34.3
137.09627	18.2
139.11206	3.0
143.08545	4.7
145.10120	8.2
147.11684	11.5
149.09637	5.6
149.13269	10.7
151.11172	6.5
157.10161	6.2
159.11734	5.7
161.09566	2.6
161.13274	10.5
163.11111	3.7
163.14806	3.7
165.09053	2.6
171.11665	5.5
173.11717	4.6
175.11197	3.7
175.14827	4.3
177.12735	2.3
181.12199	2.9
185.13286	6.1
187.14792	2.1
188.23999	2.1
189.12796	2.2
195.13811	5.7
203.18044	2.6
207.13689	2.4
217.19456	5.9
227.17969	6.2
245.19054	16.8
245.22699	6.2
263.14557	19.6
263.20071	100.0
263.23611	9.8
264.20480	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03964	7.0
53.04172	1.4
55.01868	6.0
55.05512	34.0
56.96579	1.8
57.01292	1.3
57.03452	1.9
57.07077	7.1
65.03952	2.4
67.05508	74.6
69.03422	3.7
69.06721	2.5
69.07067	24.6
71.05001	5.5
71.08629	3.5
71.58859	1.6
71.59289	1.7
79.05494	79.6
81.03410	3.5
81.06578	3.1
81.07061	71.2
83.04987	8.3
83.08622	18.6
85.06538	5.9
91.05483	48.6
93.07043	100.0
95.04971	11.8
95.08614	63.8
95.09241	2.1
97.02884	1.7
97.06524	7.7
97.10165	6.6
99.08078	3.4
102.72482	1.6
104.99294	4.7
105.07034	29.6
107.04973	3.6
107.08599	55.9
109.06504	7.2
109.10157	29.3
110.24043	2.1
111.08067	7.5
113.09647	1.8
117.07014	2.6
119.08586	19.8
121.06474	3.0
121.10141	63.6
121.32869	1.4
123.08094	4.2
123.11641	6.9
125.05997	2.5
125.09707	2.2
126.12742	1.5
126.66632	1.4
128.91547	1.3
129.07054	2.6
131.08588	6.1
133.10132	22.9
135.08051	3.1
135.11694	36.6
137.09656	5.5
137.13287	2.3
139.07556	6.6
139.11189	4.0
143.08611	3.0
145.10149	6.3
147.08070	2.5
147.11685	15.7
149.09616	5.1
149.13263	14.5
151.11153	3.6
151.14816	2.7
153.09079	3.4
157.07655	1.8
157.10191	1.7
159.11748	4.2
161.09677	1.8
161.13213	12.5
163.11253	2.2
163.14809	3.6
165.16470	2.4
167.10768	2.1
171.11716	4.6
173.13330	1.9
175.11194	3.6
175.14766	2.9
177.12741	1.6
185.13303	2.4
189.12799	3.6
189.16502	2.8
195.13731	1.5
199.14749	1.5
203.17975	1.9
207.13837	4.7
217.19478	5.8
221.15369	1.8
227.17967	3.2
235.20557	2.3
245.19060	5.7
245.22716	7.4
263.20111	75.7
263.23682	18.7
264.15021	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03951	8.9
55.01855	8.8
55.05508	34.3
57.07069	9.9
65.03925	5.5
67.05502	93.6
67.44608	5.2
69.03411	5.0
69.07060	27.9
69.68693	13.9
69.69143	15.4
71.04990	3.8
71.08612	4.4
79.05066	5.4
79.05494	84.0
81.07054	97.7
83.04987	6.8
83.08640	18.6
85.10175	4.2
89.69707	4.8
91.05484	47.8
93.06474	7.2
93.07041	100.0
95.04967	16.9
95.08609	78.5
97.06537	8.8
97.10164	7.3
104.99291	8.7
105.07032	38.2
107.08600	71.9
109.06497	7.1
109.10145	36.0
111.08060	14.2
119.08592	32.1
121.06529	4.2
121.10146	58.1
123.08003	5.1
123.11710	15.8
125.09647	4.0
129.07014	4.1
131.08575	9.6
133.06494	5.4
133.10124	26.1
135.08098	4.3
135.11681	29.7
137.09540	7.0
137.13252	5.1
139.07574	4.8
140.04204	3.9
143.08575	6.3
145.10107	8.5
147.08061	6.5
147.11684	14.5
149.09616	6.8
149.13261	14.7
151.11183	7.3
159.11731	6.2
161.09677	4.0
161.13220	11.4
165.12793	3.9
171.11618	5.8
189.12769	7.1
207.13762	8.2
245.19054	9.4
245.22588	6.5
263.14532	6.7
263.20084	92.2
263.23688	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03932	5.8
55.01860	5.9
55.05274	2.5
55.05512	40.9
56.96573	5.9
57.03432	3.3
57.07066	4.0
62.59056	2.0
65.03935	3.6
67.05503	74.2
69.03424	6.4
69.07068	23.4
70.99998	2.2
71.04043	5.0
71.04988	6.4
77.45238	2.3
79.05063	4.4
79.05494	63.3
81.03398	3.9
81.07054	59.8
83.04969	4.7
83.08593	14.5
85.06534	3.9
91.04962	4.0
91.05480	41.4
93.07043	86.6
95.04984	16.3
95.08607	55.5
97.02906	3.7
97.06500	5.0
97.10168	11.9
103.05462	2.7
104.99262	8.9
105.07032	22.1
107.04971	2.9
107.08589	50.3
109.06510	7.4
109.09463	3.2
109.10148	33.9
115.05514	2.6
115.06390	2.1
117.07010	5.7
119.08582	21.2
121.06507	4.2
121.10142	41.7
123.08075	10.3
123.11687	8.4
125.09631	6.0
129.06984	6.3
131.08585	6.2
133.10123	18.4
135.11691	33.6
136.04359	2.2
137.09613	13.1
143.08629	5.7
145.10123	7.2
147.11684	16.9
149.09613	5.1
149.13260	8.9
151.11197	5.6
157.10118	4.9
159.11668	4.7
161.13264	10.4
163.11186	3.3
165.09056	4.2
171.11644	5.6
173.11780	3.7
173.13167	2.7
175.11221	2.7
175.14851	4.8
185.13310	4.3
191.07387	2.1
203.14085	2.6
203.18037	3.4
207.13892	4.0
217.15710	2.6
217.19379	4.6
227.17870	6.8
245.18942	11.9
249.33218	2.2
263.16971	4.7
263.20068	100.0
263.22940	5.3
281.12448	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	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03941	1.6
55.01869	4.1
55.05512	3.2
56.96568	1.7
65.03918	1.8
67.05502	6.0
69.03429	10.9
69.07051	1.0
70.07093	4.5
71.04983	0.9
79.05493	9.8
81.03407	1.0
81.07050	8.6
83.04997	2.6
83.08655	1.2
85.02924	5.1
87.04469	2.6
89.85441	0.9
91.05482	11.3
93.07052	7.5
95.04995	4.7
95.08606	3.0
97.02895	3.6
97.06535	15.2
98.97604	1.6
102.39815	0.9
103.05531	1.0
105.07033	12.9
107.04964	1.8
107.08602	15.3
109.02856	5.3
109.06523	8.2
109.10142	2.2
111.04459	6.5
111.08071	1.7
113.02374	5.6
115.05466	3.8
116.98650	2.6
117.06991	6.3
119.04961	2.1
119.08569	11.5
121.06524	6.1
121.10136	2.6
123.04439	8.3
123.08067	3.7
128.06239	6.3
129.07005	5.2
130.07753	1.1
131.04881	1.5
131.08565	7.3
133.06509	4.7
133.10162	5.3
135.08057	100.0
137.06004	5.0
139.03911	2.7
139.07573	1.6
141.06999	4.2
142.07748	5.6
143.08578	10.1
144.09293	2.3
145.06535	4.5
145.10136	3.5
146.07263	1.9
147.04523	1.4
147.08064	7.5
147.11728	2.1
149.05910	1.7
149.09621	2.5
152.30418	0.9
153.07014	1.0
154.07716	1.0
155.08624	2.3
156.09354	9.1
157.06470	1.7
157.07573	1.1
157.10130	8.1
158.07300	2.6
159.08057	9.1
159.11697	8.4
160.08720	2.3
161.05995	5.0
161.09627	5.0
163.07503	4.6
165.07005	2.4
165.09142	2.0
166.07794	2.6
169.06480	1.8
169.10152	1.6
171.08078	2.8
171.11694	7.7
172.05305	1.3
172.08861	5.7
173.09633	10.5
173.13202	1.6
174.06790	2.7
174.10437	1.1
175.07584	3.6
175.11166	4.8
179.10582	1.3
181.10146	4.6
184.08812	5.6
185.09615	4.3
187.07607	2.3
187.11183	23.8
188.08331	3.8
189.09140	3.5
189.12804	3.3
195.06509	1.3
197.09743	1.5
199.07538	2.7
199.11201	20.5
201.09196	1.1
202.09917	1.3
203.06850	1.0
203.10678	33.0
207.77280	1.1
209.09627	1.7
212.08360	4.4
215.10669	17.7
217.08817	1.6
217.12259	17.2
227.10686	16.7
233.11699	10.6
245.11728	38.4
263.08267	3.3
263.12735	9.8
263.16278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15479	30.1
60.46123	34.7
70.39180	79.5
70.39568	55.6
78.75143	27.8
80.77732	30.3
84.04482	40.2
91.05938	29.9
98.06035	39.3
98.95791	32.7
114.91117	30.2
116.07137	80.0
124.89159	33.3
134.08173	64.3
134.71303	32.8
141.99568	39.9
143.01804	49.8
144.01167	50.4
160.00635	44.3
161.02951	73.1
163.23466	27.5
180.77525	34.4
188.95004	30.8
197.20149	33.7
199.01793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1027
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
55.13274	0.9
61.28244	0.8
70.06604	0.9
70.64754	1.6
70.65118	1.5
79.28294	0.9
82.02942	1.8
91.21482	1.0
94.06568	6.5
103.05479	1.0
106.36195	0.9
115.05507	1.1
116.07066	1.4
117.05768	1.0
120.08105	1.8
128.03439	10.9
130.06522	71.2
131.06882	1.1
132.04446	24.8
132.08101	8.1
140.04932	0.9
142.06494	1.2
148.07600	1.2
157.07611	100.0
158.06015	49.5
158.08009	1.4
159.09172	22.4
160.07603	1.8
170.25597	0.8
175.08675	49.0
185.07062	7.6
186.05507	1.2
189.31300	0.7
199.08704	2.8
201.10222	7.2
203.08148	55.1
204.06564	2.1
204.08398	1.1
217.09776	1.5
221.09203	15.9
222.09479	1.1
227.08093	2.2
229.82240	0.8
245.09250	7.0
263.10281	6.3
270.94843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.91994	0.3
57.07063	0.9
65.35546	0.3
69.40181	2.2
69.40609	1.3
70.06581	1.7
71.08622	0.4
82.10065	0.3
87.04471	34.4
88.07633	1.4
96.38030	0.4
114.09153	0.6
118.06547	14.7
119.07355	0.5
130.06737	0.4
132.08090	4.3
132.10205	2.2
133.08870	2.6
134.09631	1.4
143.26291	0.4
146.09628	4.7
147.10382	0.7
150.11279	2.2
160.11235	0.4
176.14352	87.8
177.14696	1.5
218.11760	0.4
218.21410	0.7
262.18027	100.0
262.23758	11.1
263.18439	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07118	2.7
55.01866	3.1
56.96572	14.9
57.03426	7.9
61.02930	3.8
66.23602	2.4
68.22040	2.4
69.03428	3.8
70.06592	5.2
70.64001	9.3
73.02921	6.4
76.36055	2.4
78.07127	2.5
81.03403	3.1
84.04490	7.4
84.08141	3.8
85.02886	10.5
97.02885	7.3
98.06063	6.6
98.97545	12.7
101.00867	14.1
104.10749	9.9
116.07069	5.5
116.98637	10.9
119.01923	57.4
129.20995	2.8
130.05029	5.5
131.01924	22.4
134.08154	6.1
134.99651	4.5
137.02942	11.5
143.01906	30.3
148.06056	4.2
148.47606	2.6
149.02933	4.7
155.01875	16.4
157.03378	4.5
158.99672	3.3
161.02959	100.0
172.12926	2.8
173.02946	33.4
179.04010	5.4
184.04619	5.0
185.02980	6.6
189.00517	3.2
191.04033	11.6
196.04588	3.6
199.01797	4.5
203.03989	15.8
205.45323	3.0
221.05179	4.4
245.05093	4.2
257.03098	3.0
263.01569	5.5
263.06186	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	262.1802
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.87947	0.4
57.80693	0.4
67.12983	0.4
69.28625	3.2
69.29028	1.0
70.06585	0.5
87.04469	30.1
95.28754	0.4
98.20788	0.7
118.05705	0.7
118.06547	13.8
132.08104	3.4
133.08884	1.3
134.09656	1.0
146.09654	3.2
150.11420	0.4
151.03915	0.4
152.04207	0.8
155.34341	0.4
160.11261	0.6
176.14351	77.7
176.54895	0.4
177.14674	1.2
205.37703	0.4
219.57208	0.4
223.35498	0.4
262.18024	100.0
263.18289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.96564	0.9
68.05011	0.9
69.07058	1.8
71.57692	0.7
71.58068	0.9
77.92442	0.6
79.05495	6.2
79.82318	0.6
80.05013	0.7
81.05791	5.5
81.07045	5.2
82.06583	1.0
83.04947	0.7
84.04472	0.8
84.08138	1.3
89.03884	1.0
94.06542	2.5
96.04490	0.8
96.08127	17.6
98.05991	0.9
106.06534	3.6
107.04967	1.5
110.06026	1.7
110.07166	1.4
113.48356	0.8
124.07585	100.0
131.06879	1.3
135.04410	1.3
140.07031	1.7
140.10684	1.2
150.72096	0.6
150.98665	0.7
163.03912	3.1
174.04445	1.1
175.50700	0.7
186.04179	0.9
204.05408	1.2
244.21129	0.7
262.07510	1.6
262.10483	1.0
262.14398	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03939	4.1
55.01860	3.4
55.05511	15.7
56.96553	2.0
57.03424	0.9
57.07070	10.0
58.04775	1.0
65.03905	2.7
67.05501	57.1
69.07065	19.1
70.22256	5.2
71.04981	1.6
71.08620	4.1
77.03928	1.3
79.05490	85.0
81.07053	55.7
83.05001	1.8
83.08620	9.5
85.06532	5.0
85.10149	2.8
86.59940	1.0
91.05476	44.5
93.07041	100.0
95.04973	13.4
95.08604	46.5
97.06524	7.6
97.10155	4.0
99.08095	5.8
105.07027	31.3
107.04940	3.1
107.08589	55.6
109.06513	4.8
109.10152	15.7
111.08077	3.4
113.09615	3.0
115.05457	1.4
116.06249	1.4
117.07014	11.8
119.08575	21.1
121.06478	2.4
121.10138	49.4
123.04465	5.4
123.05205	1.2
123.08048	2.2
123.11681	5.8
125.09685	1.0
129.06906	1.2
130.07799	1.0
131.04909	2.0
131.08565	28.2
133.10135	15.4
135.08046	3.8
135.11690	31.8
137.09637	2.4
137.13252	1.8
143.08496	1.4
144.09421	1.1
145.09047	1.4
145.10121	19.8
147.11678	14.3
149.09593	8.1
149.13254	23.7
151.03860	5.9
151.11206	1.2
151.14848	1.3
153.12759	1.2
157.10107	1.5
159.11681	14.0
160.61095	1.1
161.13240	11.9
163.11197	2.6
163.14821	18.5
171.11632	1.3
173.13261	12.8
175.14758	5.5
177.16338	6.9
179.14291	1.8
187.14772	7.7
189.12828	1.1
189.16394	1.8
191.14330	1.4
201.16385	4.2
203.18002	1.9
205.04959	3.3
205.15883	1.9
215.17940	2.7
217.19484	1.0
233.08099	1.0
233.22603	3.2
243.21074	36.8
261.07486	2.9
261.18762	3.9
261.22128	84.8
262.14404	1.0
262.22369	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.5
55.01856	2.6
55.05273	1.0
55.05515	15.1
56.57238	0.7
56.96564	1.4
57.03432	1.5
57.07076	6.5
65.03931	2.5
65.74501	0.7
66.89923	0.8
67.05505	51.3
69.07066	15.6
69.33652	0.7
69.33997	8.4
71.04974	2.3
71.08640	4.1
77.03922	1.5
79.05492	79.1
81.07058	54.3
83.04966	2.0
83.08622	9.8
85.06544	4.4
85.10163	2.9
91.05482	41.2
93.07043	100.0
95.04974	9.9
95.08607	40.2
97.06529	5.7
97.10150	2.5
98.21500	1.6
99.08089	4.6
103.05441	1.5
105.04512	1.3
105.07030	26.5
107.04959	1.8
107.08594	51.7
109.06542	4.0
109.09464	1.1
109.10155	14.0
111.08085	4.0
113.09631	2.9
117.07019	12.9
119.04919	1.2
119.08581	15.5
121.06524	1.0
121.10142	43.7
123.04406	2.4
123.08064	2.4
123.11710	4.4
129.06972	1.1
131.08569	25.5
133.10115	17.5
135.08040	3.5
135.11691	32.8
137.09615	1.4
137.13246	2.5
137.62924	1.0
142.58105	0.7
145.10130	16.3
147.11705	11.9
149.09615	8.2
149.13260	20.7
151.03923	2.7
151.11171	1.4
151.14812	1.7
153.12740	1.4
157.10117	1.4
159.11699	12.5
161.13254	13.0
163.11176	2.4
163.14822	16.7
171.11679	0.9
173.13255	12.2
175.14839	5.0
177.12779	1.1
177.16414	7.2
179.14265	1.3
187.14824	7.0
201.16382	2.9
205.04965	1.3
215.17932	1.8
217.19418	1.2
219.17381	1.2
229.12280	0.9
233.19014	1.1
233.22638	3.2
243.21088	33.6
245.48854	0.9
261.07544	1.2
261.14847	2.4
261.22137	78.5
262.14368	2.4
272.33679	0.9
283.76175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03948	3.0
55.01856	1.7
55.05517	13.0
55.26924	1.6
57.03437	2.1
57.07055	6.2
63.19540	1.8
65.03928	2.1
67.05505	41.5
69.07063	14.1
69.92525	3.3
69.92930	7.9
71.04977	2.8
71.08620	2.9
79.05489	46.7
81.07057	50.3
83.04973	4.0
83.08627	10.0
83.14247	1.6
85.06525	3.8
91.05476	34.2
93.06480	3.5
93.07043	60.6
95.04961	5.8
95.08603	39.8
97.06506	8.2
97.10149	5.5
98.21426	2.8
99.08090	4.4
105.06370	3.0
105.07030	30.7
107.08590	43.3
109.06484	4.8
109.10159	18.0
111.08073	5.4
113.09631	3.5
117.07016	13.8
119.08582	22.8
121.09318	3.1
121.10142	43.5
123.08056	3.7
123.11692	8.8
131.08556	31.3
133.10120	23.2
135.11690	32.3
137.09619	3.2
137.13223	1.9
145.10133	24.8
147.11685	19.2
149.09627	2.7
149.13249	20.2
153.12659	2.0
159.11684	21.4
159.81841	1.7
161.13239	17.2
163.14830	17.5
165.12711	2.5
173.13240	20.5
175.14815	7.2
177.16396	4.5
179.14282	2.0
187.14822	14.7
189.16455	1.8
201.16370	6.4
215.17912	4.0
217.19485	6.2
233.22697	2.0
243.21074	80.1
261.13095	4.5
261.22141	100.0
262.14536	1.8
262.22522	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.80503	1.3
53.03941	5.1
55.01870	2.4
55.05508	22.0
57.03446	2.0
57.07084	7.6
65.03933	3.6
65.82730	1.5
67.05504	64.1
68.54470	1.5
69.07065	23.3
70.17697	2.8
70.18092	3.7
71.04974	3.8
71.08616	3.6
79.05492	80.2
81.07057	71.2
82.09717	1.6
83.04968	3.0
83.08613	10.0
85.06531	9.4
85.10187	2.9
91.05481	53.4
91.86474	1.5
93.07043	100.0
95.04988	13.0
95.08603	52.6
97.06530	11.3
97.10179	3.5
99.08089	4.2
105.04514	2.3
105.07033	41.1
107.07864	3.0
107.08593	57.4
109.06521	6.7
109.10159	19.0
111.08072	5.4
115.05521	2.2
117.07003	18.5
119.08584	31.9
119.17532	1.6
121.06531	1.7
121.10140	49.7
123.08069	5.2
123.10945	1.5
123.11692	8.5
129.07004	2.8
130.07814	2.5
131.08569	46.7
133.10123	22.9
135.08028	3.8
135.10686	2.3
135.11690	34.6
137.09628	3.6
137.13234	2.7
143.08557	1.9
145.10120	37.6
145.37054	1.6
147.11684	19.7
149.09610	5.5
149.13266	25.3
151.11232	2.8
151.14841	2.0
153.12811	1.9
157.10146	1.6
159.11697	23.1
161.13263	18.5
163.11145	2.2
163.14830	16.4
165.12808	1.7
173.13283	20.9
175.14819	7.8
177.16417	8.0
179.14359	2.9
187.14806	17.6
189.16400	2.6
191.14268	1.8
201.16354	8.4
203.17952	2.5
205.15939	2.2
215.17947	2.7
217.19543	7.3
243.21074	77.6
261.13144	1.8
261.22137	99.3
262.14267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.00298	0.6
53.03943	3.6
55.01861	1.2
55.05511	18.5
57.03432	2.3
57.07076	4.9
65.03941	2.2
67.05502	58.6
69.07065	14.7
69.52043	3.2
69.52451	1.3
71.05002	3.6
71.08620	1.7
77.03947	1.2
78.01456	0.6
79.05492	73.0
81.07056	68.3
83.04989	3.2
83.08616	10.0
85.06538	5.2
91.05480	39.4
93.07042	100.0
95.04966	9.3
95.08605	47.5
95.09234	1.5
97.06516	3.8
97.10162	3.3
98.20779	1.2
99.08089	4.7
103.05508	0.8
105.04503	1.0
105.07027	25.3
107.08592	60.9
109.06512	3.7
109.09540	0.5
109.10149	19.0
111.08078	5.6
113.09624	1.7
117.07007	8.9
119.08580	20.9
121.10142	50.1
123.08049	2.0
123.11708	6.1
129.06996	1.0
131.08568	21.0
133.10133	18.2
135.11690	40.2
137.09636	2.5
137.13269	1.6
145.10120	19.0
147.11678	14.2
147.12801	1.1
148.11949	0.6
149.09619	1.4
149.13255	34.3
151.11205	1.1
151.14882	1.2
152.07999	0.6
159.11691	11.6
161.13248	15.1
163.11176	0.6
163.14828	25.7
165.12790	2.4
171.11719	1.1
173.13261	14.0
175.14818	5.8
177.12837	1.0
177.16374	6.6
179.14355	2.6
181.15884	0.7
185.13202	0.7
187.14816	9.2
189.16402	1.1
201.16409	3.8
203.17964	0.7
205.15910	0.9
215.17967	2.4
217.19475	1.1
219.17424	0.8
233.22662	1.6
243.21072	36.0
261.22134	84.0
262.14490	0.8
262.22449	1.5
280.06027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46196	0.9
53.03934	3.7
55.01869	1.7
55.05506	19.0
57.03426	1.6
57.07072	5.4
65.03929	2.4
67.05502	55.3
67.28925	0.8
68.01618	0.8
69.06724	1.2
69.07066	15.3
71.04986	2.1
71.08629	1.9
71.59458	1.1
77.03919	1.5
79.05490	77.7
81.03399	1.3
81.07053	64.3
83.04974	2.3
83.08611	8.8
85.06532	5.5
91.05478	39.8
91.05952	0.6
91.06075	0.9
93.07040	100.0
95.04969	9.3
95.08604	45.8
97.06516	5.0
97.10165	3.3
98.59499	1.1
99.08080	3.6
105.07024	26.2
107.08590	59.1
109.06536	4.2
109.10157	17.1
111.08071	3.8
113.09641	1.5
117.07021	10.2
119.08575	19.7
121.10140	49.6
123.08033	3.1
123.11702	6.4
125.09608	1.6
129.06982	0.9
131.08565	19.4
133.10126	18.1
135.08047	1.5
135.11687	40.8
137.09621	2.2
137.13257	2.1
145.10112	20.8
147.11679	15.2
149.09567	1.2
149.13252	29.5
151.11201	1.2
151.14761	1.2
153.12685	0.9
159.11684	13.6
161.13255	16.1
163.14821	22.1
165.12712	2.0
173.13260	13.2
175.14850	6.0
177.16391	6.6
179.14240	2.2
187.14815	8.9
189.16432	0.8
201.16422	3.4
205.15942	1.0
215.17993	1.9
219.17404	1.5
233.22649	1.9
243.21075	42.4
261.22134	96.9
262.14395	1.8
262.22458	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03952	4.4
55.01858	0.9
55.05511	22.0
57.03432	2.1
57.07075	5.7
65.03931	2.5
67.05504	61.5
69.06718	1.2
69.07067	16.4
69.34259	1.2
69.34657	7.6
71.04982	3.3
71.08620	1.9
77.03918	1.3
79.05493	79.4
80.05821	0.9
81.07056	67.2
83.04967	1.9
83.08611	10.6
85.06524	5.1
91.05480	44.6
93.07042	100.0
95.04958	9.1
95.08606	46.8
97.06532	4.8
97.10157	3.4
99.08089	5.0
105.04491	1.9
105.07028	25.9
107.04990	1.1
107.08593	64.1
109.06503	3.2
109.10150	18.5
111.08066	4.8
111.11688	1.1
113.09673	1.4
117.07006	9.8
119.08578	20.6
121.10145	57.2
121.26321	0.7
123.08052	2.2
123.11720	6.1
125.09636	1.0
131.07599	1.1
131.08569	20.5
133.10132	16.3
135.08000	0.8
135.11690	44.8
137.09608	2.7
137.13246	1.3
139.11165	1.2
145.10112	18.7
147.10532	0.9
147.11685	14.7
149.09581	2.4
149.13260	33.8
151.11198	1.9
151.14780	1.4
153.12749	1.2
159.11685	14.6
161.13272	14.7
163.11147	1.5
163.14818	25.6
165.12743	1.4
172.70702	0.8
173.13264	14.3
175.14850	6.4
177.12660	1.1
177.16393	6.8
179.14282	1.7
183.04520	0.8
187.14847	10.0
189.16447	0.9
191.14384	0.9
201.16396	3.3
205.14145	1.9
205.15883	2.0
212.92177	0.7
215.17909	2.6
217.19597	1.2
233.22565	1.4
243.21080	34.7
244.21445	1.2
261.22137	99.9
262.22519	2.6
265.14444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02376	1.0
53.03942	2.3
53.22170	0.5
55.01871	0.9
55.05509	20.8
57.03428	2.4
57.07074	4.5
65.03940	2.3
67.05502	58.1
69.07066	17.0
69.36808	3.2
69.37238	2.1
71.04988	3.5
71.08632	1.7
77.03915	1.1
78.04680	0.7
78.64555	0.5
79.05489	77.7
81.03412	0.7
81.07053	67.1
83.04987	1.1
83.08611	10.3
85.06548	5.5
91.04891	1.3
91.05477	41.7
93.07040	100.0
95.04968	8.9
95.08602	50.0
95.09224	1.2
97.06532	5.1
97.10175	3.1
99.08079	4.7
103.43472	0.5
105.04530	1.4
105.07030	28.9
107.08591	64.8
109.06516	2.5
109.10155	18.2
109.10921	0.9
111.08087	5.4
113.09631	1.5
117.06218	0.8
117.07014	10.7
119.08575	21.2
121.10140	51.8
122.10461	0.6
123.08092	2.6
123.11709	5.9
125.09633	1.3
127.11191	1.1
129.06921	1.1
131.08565	21.3
133.10126	17.5
135.08083	0.8
135.11688	42.8
137.09601	1.9
137.13193	2.0
139.11168	1.0
145.10118	19.6
147.11673	15.3
149.09601	1.9
149.13252	37.5
151.11214	1.5
151.14787	1.1
153.12744	0.7
159.11694	13.4
161.11969	1.0
161.13255	15.6
163.11124	1.1
163.13414	1.3
163.14810	27.2
165.12746	2.0
173.13258	13.4
175.14848	5.4
177.12779	0.7
177.16371	6.3
179.14313	3.0
187.14812	9.8
189.16388	1.3
201.16319	3.9
203.18045	0.8
205.15916	0.9
215.18018	2.7
217.19464	0.8
219.17433	0.7
233.22595	1.1
243.18500	1.3
243.21071	38.6
261.22128	96.1
262.22424	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
51.22284	0.6
53.03947	2.8
54.26974	0.5
55.01864	1.2
55.05508	18.4
57.03428	2.0
57.07070	5.7
65.03926	2.7
67.05502	55.3
69.07066	16.4
69.07337	0.4
71.04990	2.9
71.08623	2.4
77.03938	1.0
79.05490	78.7
80.05791	0.7
81.07054	64.7
83.04955	1.3
83.08616	8.9
85.06541	4.8
90.58418	0.5
91.04890	1.2
91.05477	37.9
93.07040	95.6
95.04964	7.8
95.08601	42.7
95.79843	0.5
96.46439	0.6
97.06528	5.2
97.10165	3.5
99.08084	4.5
105.04490	1.1
105.07034	27.3
107.04974	0.6
107.08591	62.1
109.06538	3.3
109.10148	20.0
111.08080	3.9
113.09615	1.0
115.05418	0.7
117.07012	10.2
119.06116	0.6
119.08573	18.9
121.10139	54.6
123.08056	2.1
123.11690	5.4
125.09667	1.5
127.11177	0.7
130.07808	0.9
131.08563	21.0
133.10127	16.9
135.08073	1.2
135.11687	43.8
137.09622	1.5
137.13252	1.9
139.11169	1.1
145.10118	18.8
145.11276	0.9
147.11685	17.8
149.13252	34.0
151.11191	1.0
151.14781	1.1
153.12798	0.7
159.11673	13.2
161.13264	14.4
163.11151	1.1
163.14813	25.7
165.12756	1.5
171.11751	0.8
173.13258	13.9
175.14853	6.1
177.12770	1.1
177.16382	6.9
179.14307	1.6
182.97954	0.6
187.14824	9.6
189.16484	1.0
191.14389	0.9
201.16385	3.6
203.18022	0.7
205.15883	1.2
215.17981	1.6
217.19490	0.8
219.17657	0.6
233.22617	1.5
243.21074	36.5
254.77141	0.6
261.22128	100.0
262.22519	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.51941	0.7
53.03942	3.6
55.01878	1.2
55.05510	17.7
57.03422	1.5
57.07080	4.9
58.74070	0.7
62.61909	0.7
65.03934	2.0
65.58492	0.6
67.05504	54.4
69.07065	16.1
69.43793	5.3
69.44196	1.5
71.04986	2.3
71.08633	1.2
77.03917	1.5
79.05493	68.8
81.03410	0.8
81.07058	63.3
83.05024	1.5
83.08617	8.3
85.06533	5.1
89.37812	0.6
91.05481	38.2
93.07042	96.3
95.04958	7.4
95.08607	47.0
97.06524	3.4
97.10170	3.0
98.17570	0.6
99.08094	4.7
103.05452	1.0
105.04549	0.9
105.07030	25.4
107.04970	0.9
107.08593	59.0
109.06504	3.9
109.10159	18.1
111.08073	4.2
111.11639	0.7
113.09632	1.8
117.07013	8.8
119.08586	19.0
121.06561	0.8
121.10145	54.6
123.08068	2.5
123.11729	5.0
125.09605	1.0
127.11257	0.7
131.08562	18.0
133.10132	17.5
135.11690	47.2
137.09622	2.2
137.13249	1.8
139.11147	1.0
145.10115	18.5
147.11684	15.9
149.09673	1.5
149.13251	34.9
151.11183	1.6
151.14835	0.8
159.11693	11.0
161.13254	15.9
163.14819	24.0
165.12830	1.3
173.13245	12.4
175.14844	6.5
177.16386	5.8
179.14319	3.1
187.14825	9.3
189.16351	1.3
193.15863	0.8
193.81071	0.8
201.16370	4.3
203.17961	0.8
205.15897	1.1
215.17932	3.5
217.19456	0.9
219.17419	1.1
223.07880	0.7
233.22719	1.4
243.21091	35.8
244.21434	0.7
246.12984	0.7
261.22141	100.0
262.22501	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	261.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51505	3.7
55.01866	4.7
56.96558	8.7
58.98120	3.4
67.05509	10.3
67.91074	4.2
68.99787	4.6
69.03426	5.9
69.07061	16.6
71.58415	8.1
72.08163	5.3
72.12972	4.3
74.02450	5.3
79.05486	8.5
81.03444	3.6
85.02950	4.1
91.05507	8.8
93.07034	4.3
95.04983	11.9
97.02898	5.6
98.97616	9.1
99.05585	8.6
102.40712	3.7
103.05462	14.1
105.07050	4.6
107.04952	15.4
115.05438	9.7
116.68586	3.3
116.98598	7.6
118.06570	4.6
119.04864	4.4
121.10201	4.1
123.04424	41.8
127.03924	6.6
130.06519	100.0
131.04921	7.6
132.04460	19.7
134.99632	6.7
135.04424	10.9
142.06535	22.8
145.07596	21.4
146.06049	9.8
147.04431	15.4
149.02388	7.3
149.06078	7.1
151.03912	49.3
152.07066	4.9
157.07632	29.3
158.06015	95.9
158.99684	5.3
159.04442	9.0
170.06007	79.1
173.05841	5.0
173.07149	13.1
174.05518	10.4
175.08713	9.5
177.05499	7.2
186.00226	5.8
187.03958	7.1
188.07062	76.4
189.07545	4.0
191.07043	11.2
197.05942	5.2
201.05309	4.5
202.05066	10.4
203.08327	4.0
204.01434	4.3
215.03340	6.3
215.07048	6.3
216.06903	4.8
219.01797	4.2
219.06572	27.4
233.04477	16.2
233.08061	4.8
233.68221	4.1
243.02338	4.2
243.06410	4.3
246.05379	4.5
250.48552	3.9
252.15221	3.9
261.04193	19.4
261.07547	46.1
261.22211	5.4
263.59232	4.0
279.07742	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	261.1483
Annotation	Sericenin
Peak:m/z	Relative Intensity
53.03931	6.4
54.83548	2.4
55.01867	3.7
55.05502	6.1
56.44776	2.5
56.96546	7.3
65.03941	3.9
67.05504	14.4
67.35355	2.3
69.03431	16.4
69.07049	5.5
69.89574	14.8
79.05484	11.4
81.07054	17.5
83.04958	6.6
87.56818	2.6
91.05472	18.3
93.03414	2.9
93.07044	17.8
95.04954	8.8
95.08591	8.5
98.20708	3.3
105.07035	20.6
107.04956	10.0
107.08585	10.2
109.02867	11.4
109.06489	6.1
109.10148	6.3
115.05422	4.8
117.07004	9.5
119.08600	19.4
121.02776	3.4
121.06519	15.6
121.10136	12.7
123.04432	20.0
123.08053	3.0
123.11716	3.4
127.03853	2.8
128.06261	4.2
129.06969	4.0
131.04924	7.7
131.08578	18.0
133.10092	11.2
135.04381	4.5
135.08052	7.3
135.11626	3.5
139.03923	3.9
142.07672	3.4
143.08563	11.3
144.09326	8.1
145.06461	7.7
145.10094	17.3
146.07233	3.7
147.11659	7.2
149.06017	4.2
149.09590	16.3
151.03899	24.0
153.06934	3.9
155.08511	5.2
155.72729	2.8
157.10112	4.2
158.10933	10.8
159.08073	12.6
159.11694	30.3
161.13222	3.3
168.09232	3.0
170.10944	4.9
171.08031	9.3
172.08792	11.8
173.09608	25.5
173.13286	27.6
175.07518	5.0
183.11668	10.4
185.09665	2.6
185.13313	2.8
186.10402	25.9
187.07536	4.7
187.11182	100.0
187.14839	6.2
190.06264	10.3
192.43356	2.6
196.08841	3.4
201.12737	53.8
203.17955	6.0
205.08597	69.1
211.11140	8.5
214.09927	3.7
215.06900	4.5
229.12234	69.6
243.21053	4.4
261.07541	9.9
261.12271	2.5
261.14871	41.2
261.18417	8.6
261.22098	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	261.058
Annotation	Suprofen
Peak:m/z	Relative Intensity
55.62130	1.3
56.96547	4.5
70.06142	6.8
70.06562	3.4
86.09711	8.3
98.21436	1.7
98.97581	5.5
116.98595	1.9
119.01887	1.4
131.01862	2.0
136.55904	1.6
138.99927	1.5
158.99677	2.0
169.01074	4.5
170.99545	1.7
171.02753	1.4
177.00722	1.8
189.00691	2.1
201.00717	2.2
201.03712	3.9
211.02034	1.4
219.01758	2.4
229.03206	37.9
237.02939	1.5
243.04744	3.4
261.05804	100.0
261.09421	66.9
261.11679	2.6
261.13925	2.7
262.06073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49576	0.6
56.96552	2.3
56.96818	0.7
57.49835	0.7
67.04084	0.8
67.33576	0.6
70.41564	1.3
70.41955	1.4
98.21441	0.7
98.97588	7.5
101.00873	1.5
116.98620	7.1
119.01940	8.9
120.97957	0.8
134.99670	4.9
136.32239	0.7
137.02940	2.8
153.00740	1.0
158.99858	0.9
173.42809	0.7
177.00972	18.0
178.01129	0.9
179.00681	1.2
189.00853	1.1
204.00743	0.7
217.04071	2.1
219.02005	22.4
220.02098	1.6
221.01758	7.9
225.01015	2.8
239.13504	0.7
242.98158	0.7
243.01981	7.3
261.03061	100.0
262.03174	6.2
279.00653	5.3
279.03500	0.9
284.04770	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	259.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01867	1.3
55.05270	1.0
55.05513	12.1
57.03441	1.5
57.07078	4.6
65.03946	1.5
67.05507	29.9
69.07064	10.6
69.71166	5.1
70.82492	0.9
71.04982	2.3
71.08630	5.0
79.05492	25.2
81.07056	29.8
82.90576	0.9
83.08610	6.0
85.06551	1.8
91.05479	53.4
93.03413	1.0
93.06475	1.6
93.07045	25.3
95.04953	4.2
95.08607	21.7
97.05997	0.9
97.06487	4.7
97.10155	1.0
99.08093	4.9
103.05446	2.0
105.07031	80.5
107.04926	2.1
107.08586	12.6
109.06506	2.1
109.10165	4.6
111.08055	1.6
115.05444	2.1
116.06219	0.9
117.06216	1.8
117.07014	25.3
119.08584	45.5
121.06519	2.4
121.10155	9.6
123.08063	1.4
123.11673	1.1
125.09723	1.3
128.06239	4.6
129.07011	16.0
130.07790	1.3
131.08575	27.2
133.06525	2.0
133.10130	39.1
135.08046	2.7
135.11707	5.5
137.09589	1.4
138.86612	0.8
142.07762	3.1
143.08557	18.3
145.10133	29.4
146.10941	1.1
147.08113	1.6
147.11694	39.8
149.02364	1.1
149.09599	2.5
149.13260	3.7
151.11217	1.2
157.10132	11.1
159.11700	17.4
161.09587	3.2
161.11971	1.8
161.13266	28.6
163.11224	2.7
163.14839	1.1
165.12738	1.0
170.10942	1.3
171.11711	17.1
173.13258	16.2
175.11224	2.7
175.14841	10.3
177.12729	2.6
185.13271	14.2
187.14795	3.0
189.12749	3.4
199.14848	10.4
201.16270	1.8
203.14281	1.0
213.16422	3.2
215.17941	1.7
224.49939	1.1
231.21042	3.2
241.19507	29.8
259.20572	100.0
260.20914	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03930	2.3
55.01861	2.4
55.05267	1.0
55.05513	12.5
56.96555	1.3
57.03434	1.3
57.07059	3.7
63.76071	0.9
65.03941	1.3
67.05506	29.8
67.44279	0.8
69.07069	11.4
70.25915	4.0
71.04983	2.6
71.08592	1.1
77.03909	1.7
79.05491	24.3
81.03341	1.0
81.07059	27.6
83.04955	1.4
83.08613	3.9
85.06528	2.5
89.37854	0.9
91.05481	53.2
93.07044	23.8
95.04956	3.1
95.08045	1.5
95.08606	18.6
97.02874	1.2
97.06544	5.1
97.10133	1.9
98.20784	1.0
99.08083	2.2
103.05422	2.2
105.07032	74.4
107.04930	0.9
107.08588	13.3
109.06512	1.7
109.10152	5.7
111.08047	1.5
115.05473	2.5
117.06215	1.6
117.07015	22.6
119.04949	1.0
119.08581	54.6
121.06490	1.6
121.10153	9.4
123.08048	1.8
123.11733	2.3
128.06270	4.2
129.06982	11.9
130.07785	2.2
131.08574	26.9
133.10130	45.2
135.08064	2.0
135.11670	5.7
141.06921	1.2
142.07779	1.6
143.08574	11.6
145.09052	1.6
145.10124	24.8
146.73492	0.9
147.08115	1.0
147.11693	35.6
149.02368	1.7
149.09637	1.9
149.13222	3.3
157.10127	13.2
158.10918	1.6
159.11688	20.0
161.09637	2.1
161.13271	25.7
163.11148	2.1
170.11008	1.2
171.11688	15.0
173.02367	1.2
173.13268	13.1
175.11171	2.4
175.14825	14.0
177.12743	2.9
185.05894	1.1
185.13269	11.3
187.14832	3.1
189.12750	2.3
197.05876	0.9
197.13307	1.1
199.14825	8.7
201.16371	1.7
203.14392	1.6
213.05463	1.0
213.16347	3.7
215.17975	2.3
231.06491	1.5
231.21074	3.4
241.19516	27.5
259.05978	1.4
259.20572	100.0
260.20917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03934	2.2
55.01862	1.4
55.05267	0.9
55.05513	14.1
57.03420	2.6
57.07065	3.5
60.56251	0.7
65.03930	2.5
67.05505	27.5
69.07064	11.3
69.47820	5.5
69.48223	1.3
71.04980	3.3
71.08620	3.6
75.34044	0.9
79.05494	25.7
81.07057	27.5
83.04973	1.7
83.08617	4.5
85.06553	1.4
91.05481	55.3
93.06476	1.5
93.07044	24.9
95.04952	2.8
95.07984	1.2
95.08602	17.7
97.06516	5.1
97.10176	1.3
99.08088	4.4
103.05463	2.2
105.07031	81.4
106.07281	1.0
107.04949	1.8
107.08591	12.4
109.06506	1.4
109.10154	7.2
111.08051	1.7
115.05439	1.9
117.07016	22.3
119.08581	54.9
120.08936	0.9
121.06522	1.6
121.10154	8.7
123.08076	1.6
123.11668	1.2
125.09615	1.0
128.06197	2.7
128.07088	1.0
129.07011	13.1
130.07797	2.1
131.08575	27.5
132.09442	1.0
133.06425	1.6
133.10132	42.8
135.08110	1.9
135.11688	6.4
137.09547	1.3
141.06960	1.1
142.07794	2.2
143.08554	15.1
144.09303	1.3
145.10123	24.5
146.10727	1.1
147.08127	1.0
147.11688	39.7
149.02406	1.1
149.09631	1.8
149.13266	3.7
155.08461	0.9
157.10132	11.7
159.11694	17.7
161.09645	1.7
161.13261	25.6
161.14612	1.3
163.11177	1.7
163.14703	1.0
169.10168	1.6
171.11685	14.1
173.13254	13.8
175.11205	2.2
175.14819	12.2
177.12750	2.4
185.13263	12.0
187.14841	3.6
189.12769	3.2
191.14214	1.2
199.14841	10.1
201.16328	1.4
203.14366	1.7
213.16333	3.1
215.17932	2.2
217.15895	1.2
231.21062	3.8
241.19507	29.5
255.14296	0.9
259.20572	100.0
260.20920	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61834	2.2
53.03926	2.9
55.01864	2.3
55.05513	12.4
57.07053	5.4
60.33146	2.2
67.05500	15.8
69.07071	26.3
70.21539	7.7
71.04998	16.3
79.05498	12.9
81.07056	25.7
83.04975	5.0
83.08604	7.9
85.06529	17.0
89.86249	1.8
91.05479	24.9
93.07043	19.1
95.04964	5.2
95.08590	20.5
97.06519	5.3
105.03389	6.9
105.07027	37.3
107.08599	19.5
109.06541	5.4
109.10136	12.2
111.08087	5.3
117.07010	11.8
118.74174	2.0
119.08578	42.2
121.06477	2.4
121.10145	11.8
123.08093	1.9
123.11697	20.7
129.06993	9.1
130.07848	3.3
131.08557	22.8
133.06479	2.8
133.10124	30.1
135.08041	7.3
135.11671	8.9
142.07774	3.6
143.08578	10.9
144.09319	3.0
145.10121	26.6
147.08000	3.8
147.11685	15.6
149.09676	2.6
149.13197	2.3
156.09233	2.6
157.10127	18.1
159.11678	29.7
161.09660	2.6
161.13254	31.0
163.11115	3.0
170.10951	3.1
171.11667	20.8
173.13251	9.9
175.11261	9.7
175.14821	66.3
176.15518	4.0
176.26256	2.4
177.12648	5.4
181.06300	2.0
185.13235	16.5
189.12730	6.7
189.16408	7.6
199.14781	5.5
201.16383	15.6
203.14320	8.0
215.17953	5.8
217.19589	5.0
241.19495	23.5
259.05957	2.3
259.20566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Bactacine
Peak:m/z	Relative Intensity
52.72631	1.7
55.05497	6.4
57.07060	2.9
58.28763	1.4
60.34132	1.7
66.27902	1.5
67.05496	8.0
69.07049	6.8
69.55393	13.3
71.04996	2.1
79.05468	6.2
81.07059	33.9
83.86899	2.1
85.06561	2.3
91.05479	8.5
93.07028	7.0
95.04953	3.4
95.08603	17.2
97.06522	2.2
99.08099	2.1
101.47800	1.7
105.03381	7.2
105.07022	9.5
107.08588	9.2
109.06499	3.1
109.10165	8.1
117.07011	12.9
119.08578	22.2
121.10146	6.8
122.86189	1.7
123.11710	66.4
128.06192	3.7
129.01857	2.9
129.07007	4.7
131.08563	9.8
133.10138	8.9
135.08067	8.5
135.11658	2.8
137.09590	9.8
143.08601	5.0
145.10123	22.9
147.08107	2.1
147.11711	10.4
149.09584	3.0
149.13179	1.7
157.10144	8.2
159.11685	17.0
161.13257	5.6
171.11725	6.3
173.13249	4.0
175.11226	2.5
175.14825	4.7
185.13277	7.0
199.14815	3.4
201.16359	6.7
215.17845	1.8
217.19502	2.7
241.19455	8.5
259.20581	100.0
260.20819	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03932	3.3
55.05511	17.0
57.07062	6.1
64.75153	1.3
65.03939	1.8
67.05501	26.0
69.07066	11.7
70.20000	4.2
70.20403	2.9
71.04980	2.6
79.05484	26.8
81.07057	26.8
83.04975	1.7
83.08607	8.1
85.06545	2.1
91.05477	58.4
92.05824	1.4
93.07040	22.5
95.04955	4.7
95.08598	16.7
97.06539	4.6
97.10173	2.5
99.08144	2.4
103.05456	2.3
104.06238	1.6
105.03367	5.2
105.07027	94.8
107.08599	15.7
109.10151	4.4
115.05444	3.9
116.06228	2.8
117.07015	52.6
119.08576	53.9
121.10136	9.8
123.11664	1.3
128.06241	6.7
129.07004	25.7
130.07745	2.5
131.08560	53.9
133.10130	54.5
135.08073	2.2
135.11617	6.7
142.07785	4.1
143.08553	27.7
144.09283	2.1
145.10120	41.2
146.77179	1.3
147.08025	1.6
147.11682	39.1
148.03642	1.4
149.09642	3.2
149.13254	2.9
157.10130	19.0
159.11694	65.3
160.12035	2.0
161.09610	2.2
161.13257	32.5
163.11156	1.8
169.10030	1.7
171.11688	27.4
173.13263	34.2
175.11198	1.5
175.14842	9.5
177.12823	1.7
185.13263	29.6
187.14909	2.5
199.14825	20.9
213.16338	4.9
215.17979	3.3
231.20973	2.9
241.19493	36.6
259.11389	2.0
259.20575	100.0
260.20825	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.2
55.05509	18.6
57.07061	5.7
64.75368	2.6
67.05506	21.6
67.86806	2.0
69.07060	11.0
71.51022	5.0
79.05494	22.0
81.07059	24.2
83.08628	11.2
91.05478	57.3
93.07040	24.4
95.04943	5.4
95.08604	16.4
97.06519	5.9
105.03391	20.7
105.07034	81.9
107.08604	12.5
109.10154	5.7
115.05437	5.9
116.06222	2.3
117.07016	62.3
119.08571	52.7
121.10125	10.4
128.06224	6.9
129.01804	3.6
129.07002	30.1
131.08563	63.8
133.10120	47.7
135.08034	3.3
135.11714	5.0
142.07788	5.4
143.08556	31.1
145.10120	47.9
147.08005	3.3
147.11684	34.3
149.13310	4.0
157.10126	20.1
159.11691	77.2
161.13234	29.0
163.11102	2.9
171.11664	38.1
173.13254	50.3
175.14819	13.7
181.06418	6.2
185.13261	38.0
187.14790	6.4
199.14821	22.5
213.16270	5.3
241.19511	36.6
259.11206	3.6
259.20557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03938	2.1
55.01861	3.4
55.05515	15.9
55.32389	1.7
57.07073	11.1
67.05511	26.4
67.85117	1.7
69.07068	14.7
69.36068	1.8
69.81205	4.8
69.81639	5.8
71.04993	2.4
71.08630	7.3
79.05498	27.7
81.07061	26.8
81.72717	1.6
83.04984	2.9
83.08614	7.5
85.06499	2.5
91.05482	55.2
93.07040	23.4
95.04970	5.8
95.08613	22.8
97.06519	10.0
97.10136	3.3
98.21485	2.1
99.08090	7.0
103.05460	2.7
105.07030	74.7
107.04936	5.7
107.08578	11.2
109.06516	3.3
109.10125	5.8
111.08097	3.1
115.05455	2.3
117.07022	26.2
119.08582	25.6
121.06483	2.8
121.09427	1.7
121.10114	9.6
123.08086	2.4
123.11747	2.9
128.06235	5.3
129.07018	25.0
130.07793	3.1
131.08566	28.0
133.06523	4.5
133.10117	21.4
135.08061	3.2
135.11681	3.1
141.06900	1.7
142.07794	1.9
143.08569	27.3
145.10123	33.4
147.08015	5.2
147.11688	26.2
149.09634	3.6
149.13252	7.9
151.12756	1.7
155.08482	2.1
157.10118	22.0
159.11674	14.2
161.09628	5.3
161.13261	31.4
163.11130	4.9
171.11684	23.7
173.13261	14.7
175.11191	6.2
175.14822	27.0
177.12788	2.4
182.57968	1.6
185.13268	19.0
187.14754	4.0
189.12746	8.6
191.14436	2.2
199.14819	11.6
201.16377	2.7
203.14313	1.9
215.17963	3.9
231.21045	5.8
236.07265	2.0
241.19516	39.6
242.19766	1.9
259.17252	4.7
259.20572	100.0
260.20923	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.38596	2.7
55.05506	14.2
67.05489	13.2
68.32487	2.4
69.06720	3.8
69.07066	37.3
70.03765	6.1
70.04173	9.3
71.04987	23.6
79.05482	7.8
81.07060	22.8
83.04966	6.9
83.08608	10.2
85.06539	25.1
85.60343	2.8
91.05470	16.5
93.07032	17.3
95.04943	4.4
95.08605	20.8
97.06489	4.3
105.03389	4.0
105.07038	27.8
107.08595	23.8
109.06503	6.2
109.10152	16.6
111.08067	7.2
112.38057	2.4
115.05489	3.1
117.06983	5.8
119.08578	62.5
121.10152	12.3
123.08038	3.2
123.11710	27.2
124.07111	2.4
128.06163	3.1
129.07007	5.5
131.08554	15.9
133.10129	39.2
135.08044	11.8
135.11667	5.5
137.09612	4.3
140.07170	2.6
143.08551	9.9
145.10115	37.7
147.11653	24.4
149.09645	5.1
156.09265	2.7
157.10117	15.2
159.11703	35.9
160.12469	5.1
161.09615	2.5
161.13261	34.1
163.11215	2.8
170.10934	3.8
171.11693	21.7
173.13263	13.5
175.11185	5.0
175.14821	88.5
176.15617	3.8
177.12683	7.2
177.16344	4.3
185.13248	18.6
189.12775	5.5
189.16476	6.6
199.14804	4.7
201.16406	28.5
203.14267	13.6
215.17938	7.7
216.00693	2.4
241.19499	17.4
259.20563	100.0
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	1.6
55.01872	5.5
55.05518	7.5
56.05037	59.4
57.03425	0.8
57.98795	0.9
58.99283	1.2
58.99586	24.3
60.04523	1.5
61.01143	3.1
67.05500	2.4
68.05028	11.0
69.03439	3.3
69.05802	1.4
69.07067	20.6
69.52573	3.6
69.52985	1.5
70.02951	10.7
70.06591	1.9
70.99574	5.9
72.08159	0.7
73.01141	4.0
74.00665	2.2
74.02425	3.7
76.02232	2.8
76.04008	7.3
79.05495	12.9
80.05022	6.7
81.03424	1.6
81.05798	3.3
81.07057	10.8
82.06580	3.7
83.08631	2.0
84.04503	10.3
84.08143	2.7
85.01128	31.9
85.02898	4.1
85.04024	1.0
86.00653	19.2
86.99057	10.3
87.02694	9.7
88.02222	6.3
88.03991	2.0
91.05479	1.4
93.05775	1.7
93.07045	3.6
94.06561	10.1
95.04942	1.3
95.07352	2.7
95.08610	2.3
96.08130	7.5
97.01109	6.3
97.02913	1.5
97.06546	0.8
97.08900	1.2
98.09692	100.0
98.20747	1.2
98.88586	0.7
99.01355	0.8
99.05583	2.5
99.09980	0.9
100.02190	1.7
102.03751	1.4
102.05540	18.2
105.07033	3.0
107.07373	1.2
108.08114	7.5
109.02926	0.9
109.06508	0.7
109.08926	3.4
110.09674	19.8
111.02658	0.9
111.04449	0.9
112.03966	12.6
113.04230	43.7
114.03760	4.2
114.05539	2.4
115.05735	1.1
116.01678	36.1
116.03436	1.8
116.10707	0.7
122.09663	12.6
123.04424	1.0
123.10449	3.9
127.03920	1.2
129.07126	0.7
130.05022	9.5
130.06870	10.7
130.08597	6.9
137.05991	1.1
138.09132	0.7
139.05785	3.6
143.02750	5.3
144.01158	6.2
145.06078	6.4
149.02319	4.5
156.08430	63.3
156.10205	76.4
157.08780	1.7
157.10527	1.2
162.02219	9.2
167.05449	0.9
174.02206	1.1
177.03275	0.8
184.07857	1.7
185.05977	1.5
188.03746	3.2
189.03287	5.8
190.40596	0.7
197.05791	0.7
213.05495	1.0
213.10555	2.5
215.07117	1.0
216.06912	18.4
231.06493	4.0
241.05016	1.7
242.08461	4.8
259.05881	2.6
259.11124	99.5
260.11356	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	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.8
55.05508	5.7
57.03416	7.8
67.05495	10.1
69.03117	3.7
69.03428	30.6
69.07070	19.9
71.26285	6.3
74.59905	3.3
79.05504	18.4
81.03409	8.9
81.07050	6.5
84.89712	2.9
85.02910	12.0
87.04454	6.7
88.72081	3.1
89.03924	8.7
91.05460	5.7
95.04990	4.7
97.02880	26.0
97.06532	100.0
98.97588	4.3
99.04453	4.8
105.03375	7.4
105.07009	5.8
107.08594	3.8
115.03905	7.6
115.05447	4.8
117.03385	9.2
121.02821	8.7
129.06984	5.2
133.02844	14.9
133.04944	5.6
135.04401	11.2
137.05916	3.6
143.04898	5.8
145.02800	5.6
147.04433	8.7
149.02342	28.5
149.99263	3.2
150.03102	5.1
153.06956	3.2
156.08080	5.7
157.06496	4.2
159.04396	10.0
161.02316	19.8
163.03905	50.2
167.08498	3.7
171.04413	3.5
173.00993	3.3
173.02380	53.6
175.03888	10.1
179.03459	4.8
185.05988	10.9
193.04982	11.7
195.08028	7.8
197.06062	3.4
207.02901	83.0
213.05518	14.3
213.09193	5.5
215.07037	50.0
217.05016	7.9
231.06494	24.9
241.04968	5.8
241.08612	4.8
259.05963	11.8
259.09766	27.2
259.17145	3.9
263.64447	3.2
284.06064	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	259.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
56.96568	2.3
65.79511	0.5
67.04251	2.6
67.05487	0.7
69.03433	1.1
70.06586	0.9
71.24889	1.1
73.01124	0.9
74.00665	7.2
84.04514	2.0
84.08146	4.0
85.02902	1.6
85.08466	1.4
87.04455	0.5
91.05514	0.6
97.02888	1.8
98.97579	0.7
100.02204	99.5
107.04951	0.8
111.04393	0.5
111.05595	0.8
114.05573	0.8
114.51363	0.5
116.06223	0.5
116.98610	1.1
117.02112	0.6
117.82098	0.4
118.03237	4.3
118.04124	1.1
120.01154	0.6
121.70558	0.5
123.04452	0.9
128.01668	0.8
129.10219	2.2
130.04977	0.8
130.06502	1.3
130.08623	0.6
130.10614	3.0
131.04857	0.6
134.69579	0.6
134.99712	0.6
135.04428	1.4
137.06017	0.6
138.05446	0.7
142.04131	0.7
144.05754	1.5
146.02708	100.0
147.03059	0.6
149.02351	0.5
157.07640	1.3
161.05945	0.9
163.03923	0.9
170.03697	1.1
172.05225	1.8
174.03131	1.9
185.05850	0.6
187.03938	1.7
187.07550	7.8
198.03165	1.6
199.02142	0.8
204.47433	0.6
213.06992	23.5
215.07095	0.6
216.04166	2.2
231.02916	10.3
231.06564	1.9
244.03572	1.0
259.05777	6.4
259.07529	12.6
265.24753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84560	1.1
55.01863	1.6
56.05014	2.6
56.96566	8.0
57.03418	1.9
61.02902	2.0
65.45574	1.1
67.04240	2.6
67.05462	1.4
67.21036	1.1
69.03423	3.2
70.06575	3.7
71.04968	1.9
71.57407	1.8
72.08154	1.2
73.01125	1.6
74.00667	6.3
74.02452	1.5
79.05491	1.8
81.03397	1.6
84.04499	7.4
84.08148	8.1
85.02883	3.5
86.09712	1.3
87.04497	1.4
91.05471	3.3
97.02888	6.1
98.06024	1.4
98.97567	4.0
99.04497	2.1
100.02203	96.6
107.04988	1.3
111.05561	1.7
114.05518	1.3
115.05458	1.3
116.98615	3.5
118.03230	4.6
118.04086	1.3
119.01910	1.8
128.98656	1.9
129.07030	1.6
129.10257	2.6
130.04994	1.5
130.06523	1.6
130.08629	1.5
130.10562	3.2
134.99641	2.3
135.04436	2.7
135.60480	1.3
138.05479	1.9
139.00005	1.5
140.00124	1.3
140.03413	1.8
146.02708	100.0
146.99661	2.6
147.04430	1.9
149.02324	2.0
157.06447	1.5
158.04474	3.1
161.05969	1.8
171.01039	2.3
175.00867	1.8
177.00719	2.2
184.00621	1.5
185.05977	1.6
187.07550	2.0
189.02400	1.2
196.06355	1.7
199.02177	7.0
200.05408	2.0
213.05344	3.0
213.07037	14.3
217.05167	1.4
231.02942	4.4
231.06451	2.8
237.02892	1.9
241.03110	3.0
259.04083	24.4
259.07828	10.9
259.12869	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	259.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.6
56.98017	1.2
67.04228	0.9
68.05046	0.6
68.78088	0.6
68.99775	1.0
69.03409	1.0
69.07039	0.6
70.06547	0.8
71.58624	0.8
71.58986	0.7
78.03436	1.9
81.07030	0.9
84.04485	1.6
84.08152	0.8
84.97475	1.6
85.01124	2.9
91.05439	1.2
94.02937	1.2
97.02882	1.2
100.02182	2.5
101.00591	1.7
103.05408	0.9
107.04940	1.2
109.06456	0.6
110.00605	4.3
111.05577	0.9
114.00105	5.3
114.09112	0.7
115.05434	0.8
121.02820	1.9
127.00858	1.9
128.00780	1.2
128.01660	11.6
128.06165	0.6
129.01117	0.8
129.07011	1.1
135.04401	0.9
138.00079	6.7
147.04398	0.6
149.01187	0.6
149.02354	10.1
150.03116	0.6
156.01132	39.9
157.06529	1.2
163.03880	3.2
165.99539	1.3
166.75677	0.7
175.07497	0.7
175.11157	0.7
177.12102	1.4
184.00632	100.0
185.00964	0.9
185.05959	2.3
195.02232	36.8
202.01688	81.3
203.01955	1.0
205.60631	0.6
213.03305	37.1
213.05362	4.1
215.69678	0.6
217.05058	0.7
223.01715	1.1
231.06573	6.0
241.02771	72.3
241.04796	3.5
242.03008	1.1
259.03738	2.9
259.06113	8.4
259.16907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	18.3
66.08910	0.9
69.96493	6.1
71.95245	3.4
78.34636	1.1
98.97581	100.0
116.98617	92.3
116.99310	1.0
118.98219	2.0
119.76098	1.0
126.78893	1.0
134.31583	1.1
134.99657	48.0
140.00130	1.6
153.00685	7.3
158.01253	2.6
177.00885	1.4
207.08104	1.2
219.01964	8.7
220.02098	2.5
230.93262	1.5
234.99857	1.2
240.98761	4.4
248.94548	1.0
258.99744	45.7
259.99936	1.4
272.94458	2.2
277.00806	95.7
278.00931	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	258.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72793	0.6
55.01876	0.9
55.05513	0.8
55.80577	0.6
56.05037	3.1
56.96571	4.3
57.07068	0.7
61.02913	0.7
62.77557	0.7
67.04250	1.1
67.05508	0.9
69.03425	2.2
70.06594	1.9
71.58274	1.1
72.08153	1.3
73.02908	0.8
74.00665	2.6
81.04546	2.3
81.07068	1.5
82.06579	1.5
83.01157	0.6
83.06103	1.7
84.04501	23.2
84.08141	100.0
84.96035	0.7
85.02908	2.2
85.08455	1.3
86.09683	1.1
94.24185	0.8
95.04984	0.8
95.06097	1.0
97.02879	1.9
98.06059	0.7
98.97574	1.7
100.02200	36.5
101.10778	2.9
110.07185	1.1
111.09155	1.3
112.42554	0.7
114.05497	1.0
116.98611	1.2
118.03255	1.8
121.08900	0.7
123.04406	1.0
124.08698	1.9
125.07155	1.0
126.05495	1.4
128.07051	0.7
129.10239	98.1
130.04977	5.3
130.10559	0.8
134.99655	1.2
135.04378	0.9
141.07066	0.7
142.03983	0.7
142.27777	0.8
146.02698	31.7
146.99651	1.3
152.07066	1.0
158.99649	0.8
174.03107	0.8
177.05963	1.2
180.01111	1.0
182.03343	0.8
187.07574	2.0
195.11287	2.8
199.02336	0.8
212.03502	0.7
213.06984	7.8
216.98071	0.7
231.02838	2.4
231.06459	1.4
234.98917	1.9
240.08675	1.0
240.13486	4.4
240.16989	1.1
241.11723	1.0
258.09396	2.0
258.14569	3.9
258.17999	4.1
259.05716	1.1
259.07480	2.8
276.07446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03941	2.2
55.01868	1.8
55.05516	13.4
57.03426	3.4
57.07066	2.8
67.05179	2.2
67.05509	34.9
69.07079	8.9
69.36111	16.9
71.04984	2.5
72.05682	1.6
79.05491	14.7
81.07063	23.9
81.07537	2.5
83.08627	3.9
83.60010	1.5
91.05483	29.6
93.07040	10.4
95.04971	4.3
95.08604	17.3
97.06534	2.5
99.08095	1.7
105.07030	24.9
107.04973	2.6
107.08594	6.4
109.06522	2.4
109.10153	8.3
111.08047	1.5
111.66554	1.6
115.00000	1.6
115.05453	5.8
116.06219	4.4
116.98611	2.0
117.06218	3.1
117.07021	55.8
117.07858	3.0
119.08577	18.0
121.10146	4.3
122.24355	1.5
128.06215	8.1
129.07018	25.8
130.07741	5.3
131.08568	78.3
133.06476	4.4
133.10135	11.3
134.99648	4.2
135.08081	3.4
141.06995	9.7
142.07753	7.0
143.08562	25.5
145.06438	4.5
145.10126	100.0
146.10497	2.3
147.08049	5.2
147.11676	6.9
149.09532	3.0
153.07050	1.9
154.07791	3.6
155.08563	16.1
156.09364	3.2
157.10124	34.6
159.08060	5.2
159.10452	2.8
159.11702	47.9
161.09639	6.6
163.11122	2.8
167.08624	1.7
168.09308	4.4
169.10127	20.5
171.11691	32.1
173.09589	4.6
173.13284	22.3
175.11148	7.3
175.14925	1.8
181.10065	2.8
182.11006	1.8
183.11707	21.0
185.13251	5.3
187.11195	5.4
187.14856	2.8
189.12700	1.8
195.11674	2.3
197.13266	19.3
199.14880	2.3
201.12756	3.5
201.16502	2.1
209.13429	1.7
210.13968	2.2
211.14873	6.7
213.16405	5.9
215.14345	2.5
215.17917	1.7
229.19461	5.1
239.17955	36.1
257.08109	6.1
257.19016	89.8
257.26535	2.9
257.30365	4.1
258.19373	3.2
274.97467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03948	1.0
55.01857	1.2
55.05511	12.6
57.03429	2.0
57.07068	2.4
64.35773	1.0
65.87714	0.8
67.05507	29.0
69.07070	6.1
70.49815	3.2
79.05492	11.5
81.07059	15.0
83.08620	3.4
85.06547	1.1
91.04905	1.2
91.05482	19.8
93.07047	9.0
93.93316	1.3
95.04957	1.9
95.08605	13.0
97.06521	1.7
105.07032	18.2
107.08582	6.1
109.10168	8.2
111.08113	1.1
114.51519	0.9
115.05451	2.9
116.06229	2.0
117.06221	2.0
117.07021	27.3
119.08592	11.2
121.10143	4.4
128.06190	5.4
129.07013	11.6
130.07784	3.7
131.08574	45.7
133.06482	2.0
133.10161	10.7
135.11708	1.3
137.09644	1.0
141.06982	6.5
142.07782	2.6
143.08571	19.9
144.09290	1.8
145.06490	4.0
145.10129	100.0
146.10492	1.9
147.08043	2.5
147.11705	8.1
154.07799	2.0
155.08560	7.7
157.10143	14.9
159.08061	3.1
159.11708	19.5
161.09618	2.6
161.13260	3.2
163.11128	1.6
168.09200	1.6
169.10117	12.3
171.11687	22.4
173.09674	2.7
173.13255	10.8
175.11185	3.2
180.53084	1.0
182.10867	1.5
183.11708	13.2
185.13260	4.7
187.11220	8.1
187.14827	4.4
191.30673	1.0
197.13264	12.5
199.14787	1.7
201.12804	1.8
211.14825	3.3
213.16406	3.5
215.14297	2.3
215.18065	1.7
225.48428	0.9
229.19522	24.6
239.17953	19.2
257.19016	69.5
257.30316	3.0
258.19501	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05516	14.2
57.03423	3.6
67.05177	2.6
67.05505	37.2
69.07050	8.8
69.99049	9.0
71.04992	2.4
79.05486	13.4
81.06707	1.4
81.07065	14.0
83.08636	5.2
83.83252	1.5
85.06539	2.1
91.05469	23.7
93.07017	9.0
95.04981	2.8
95.08598	10.7
97.06525	2.3
98.21475	2.1
105.07028	19.2
105.07690	2.5
107.08605	8.1
109.10154	8.0
115.05450	4.8
116.06239	2.7
116.98568	3.7
117.06216	3.0
117.07011	36.8
119.08593	10.6
119.64777	1.5
121.10139	23.3
123.08038	1.8
128.05412	1.6
128.06207	11.3
129.07013	27.6
130.07773	6.0
131.08569	69.9
133.06509	2.7
133.10114	10.1
135.08047	3.5
137.09610	2.2
141.06969	12.4
142.07759	6.8
143.08554	30.7
145.10123	100.0
147.11682	5.2
151.11143	1.6
151.97316	1.7
153.07062	2.2
154.07780	3.9
155.08557	16.2
156.09372	1.8
157.10112	28.0
159.08081	3.7
159.11696	33.0
161.09641	1.8
161.13344	2.0
167.08522	2.4
168.09360	3.4
169.10139	18.8
171.08028	2.0
171.11693	36.6
173.09558	1.8
173.13242	15.0
175.11119	5.4
183.11690	32.9
184.12305	2.3
185.13248	7.7
187.11105	4.1
195.11617	2.3
196.12560	1.7
197.13258	21.1
199.14818	8.7
201.12779	4.8
211.14867	3.3
213.16328	3.1
215.17941	2.1
229.19484	3.3
239.17926	30.4
257.08188	3.7
257.19003	67.4
257.26727	2.6
258.19315	2.2
258.27985	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.1
57.03429	6.8
57.07076	22.4
60.08158	4.3
67.05505	37.1
69.07053	11.3
69.88306	2.3
70.17481	2.1
70.69233	8.7
71.04990	3.8
71.08615	7.9
79.05480	12.1
81.07063	27.1
83.08614	7.1
85.10179	7.0
89.06013	4.4
91.05479	26.8
93.07037	11.3
95.04939	4.2
95.08604	18.0
97.06514	5.7
97.10189	3.9
99.08117	2.2
103.07565	2.9
105.07029	25.7
107.08587	10.6
109.10168	8.2
115.05476	3.4
116.98553	3.4
117.07015	58.3
119.08595	19.2
121.10146	6.8
128.06213	8.2
129.07004	32.7
130.07770	5.4
131.08569	77.6
133.10133	12.6
135.08081	2.8
137.09674	3.2
141.07001	14.8
142.07770	6.8
143.08568	29.3
145.10115	97.8
146.10435	2.7
147.11684	9.6
149.09621	3.5
154.07790	5.7
155.08548	16.1
156.09294	2.5
157.10121	41.1
159.08093	5.7
159.11685	50.5
160.12061	3.1
161.09604	6.8
161.13310	3.8
167.08554	3.5
168.09331	3.5
169.10117	22.4
170.10797	3.1
171.11699	35.4
173.09676	4.8
173.13272	30.9
175.11165	5.0
181.10152	2.9
183.11685	32.2
185.13220	12.7
187.11212	5.0
187.14844	4.9
189.12807	5.1
197.13322	23.3
201.12770	4.1
211.14862	8.2
213.16386	6.8
215.17935	4.3
229.19542	5.8
239.17947	41.9
241.21449	3.1
257.08371	3.0
257.19025	100.0
257.26852	2.7
257.27734	3.3
257.30325	25.2
258.19403	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05511	16.3
57.03424	7.1
57.07051	2.9
65.03928	5.6
67.05505	64.4
69.07082	9.3
70.46391	4.1
70.46774	4.5
71.04970	5.4
79.05493	14.0
81.07058	36.6
81.75966	2.3
83.08596	4.2
85.06528	5.5
85.14761	1.8
91.05482	34.0
91.17954	2.0
93.07045	9.0
95.04971	2.1
95.08614	12.4
99.08080	2.5
103.05451	2.2
105.07042	19.7
109.10158	25.6
111.08076	4.0
115.05452	8.4
116.06220	4.0
116.98629	2.1
117.07019	91.8
117.07855	4.6
119.08619	9.3
128.01581	2.4
128.06189	13.0
129.07008	61.6
130.07838	2.8
131.08568	100.0
131.81314	2.1
133.10112	11.1
141.06998	35.4
142.07768	7.3
143.07497	3.2
143.08560	36.8
143.09660	2.1
145.06476	3.0
145.10120	63.9
146.10446	2.2
147.08046	4.5
147.11665	4.3
149.09587	2.4
154.07719	7.9
155.08557	29.8
156.09297	4.3
157.10132	32.1
159.08115	3.1
159.11700	69.9
161.09584	9.5
163.11176	1.8
166.44319	1.8
167.08591	2.6
169.10136	34.3
171.11687	50.0
172.12109	2.1
173.09564	1.7
173.11725	5.0
173.13223	32.7
175.54320	2.0
181.10164	3.1
183.11703	56.6
184.12132	2.8
185.13245	18.3
189.12700	2.3
195.11717	2.4
197.13239	40.3
198.13806	2.7
199.14847	3.1
211.14830	9.7
213.16524	3.1
229.19406	3.9
239.17947	69.2
240.18175	2.4
257.07907	2.7
257.13809	5.5
257.19003	70.6
258.19363	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	257.0808
Annotation	Haginin D
Peak:m/z	Relative Intensity
53.03952	0.7
55.01868	2.6
55.05515	4.4
56.96558	1.9
57.03431	2.7
57.07066	1.7
58.58844	0.7
59.04992	0.7
65.03936	2.1
67.05504	19.3
68.99783	7.0
69.03428	0.8
69.07074	2.2
70.10010	3.3
71.04980	1.4
79.05498	4.8
81.07055	7.6
83.08628	1.5
85.06536	1.2
87.26438	0.6
91.05480	15.6
93.07057	3.9
94.80310	0.9
95.04971	5.6
95.08611	6.2
97.02909	1.2
98.97588	2.8
105.04524	0.7
105.07034	6.6
107.04954	9.7
107.08600	1.5
109.06558	1.2
109.10152	8.1
111.04446	2.3
111.08071	1.0
115.05444	2.0
116.98615	3.0
117.07017	9.6
119.04948	14.8
119.08587	4.1
121.06506	1.1
121.10168	1.3
123.04429	45.4
128.06227	2.2
129.07016	5.9
130.07794	1.8
131.08553	16.2
133.06535	1.2
133.10121	3.2
134.99666	5.2
135.04422	13.0
135.08064	1.1
135.11659	1.0
137.09630	0.9
140.37860	0.7
141.06975	3.9
142.07773	1.7
143.08557	6.4
145.06509	2.2
145.10115	18.7
147.04410	100.0
147.11664	2.2
148.05206	5.5
149.02390	1.0
153.00684	1.0
153.07028	1.7
155.08562	5.0
157.06456	1.9
157.10188	5.3
159.08055	3.5
159.11681	8.7
160.05200	1.1
161.05994	1.7
161.09575	1.9
161.13254	1.0
163.03906	14.1
165.06992	6.5
168.05655	1.0
169.10080	4.1
171.11713	5.8
173.05978	4.9
173.09628	1.2
173.11868	1.3
173.13275	3.2
174.06802	0.9
175.11270	1.3
183.08083	4.2
183.11678	5.3
185.13220	2.7
187.07539	9.2
187.11153	1.4
189.09105	1.0
189.12714	0.8
197.06047	2.0
197.13251	3.9
201.09085	2.3
201.12778	1.4
211.07558	7.6
211.14815	1.0
213.05492	1.0
213.16275	1.3
214.06233	3.1
215.07062	3.8
227.07130	0.8
229.08617	19.8
229.19490	1.3
239.06953	5.7
239.17963	7.4
242.05707	4.8
247.08775	0.8
257.08084	93.9
257.13599	2.3
257.19006	20.9
257.22202	1.2
257.22678	1.1
257.26727	2.4
258.08456	3.2
274.97507	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	257.0807
Annotation	Stemofuran B
Peak:m/z	Relative Intensity
53.03934	0.9
55.01872	4.6
55.05495	1.4
56.54373	0.4
56.96544	1.1
57.03434	0.7
57.09644	0.3
59.04985	1.1
65.03933	1.8
67.05502	8.8
68.99773	2.0
69.03410	1.5
69.07069	0.4
69.98905	0.3
71.04990	0.4
71.58896	0.5
77.59990	0.4
78.23627	0.3
79.05488	1.8
81.03407	0.4
81.07061	1.7
83.01325	1.4
83.08611	0.7
91.05479	4.8
93.03382	0.5
93.07014	0.7
95.01310	0.4
95.04970	9.2
95.08571	0.8
97.02872	1.2
98.97573	1.3
103.05493	0.6
105.03365	1.0
105.07024	1.5
107.04951	3.3
107.08582	0.5
109.10146	3.4
115.05436	1.5
116.10664	0.4
116.98573	2.4
117.06355	0.3
117.07027	2.4
119.04949	0.9
119.08534	0.7
121.02876	0.6
121.06458	0.7
123.04427	14.5
123.05328	0.8
128.06204	1.0
129.06993	1.5
130.07771	0.5
131.04915	0.9
131.08563	2.4
133.06476	0.4
133.10110	0.3
134.99631	2.5
135.04395	1.2
135.08069	0.6
135.87196	0.4
137.02310	0.6
141.06964	2.7
143.08582	1.3
144.05666	0.7
145.06523	2.0
145.10120	2.6
146.00403	0.3
147.04413	8.2
147.08002	0.9
149.05997	0.8
153.00671	0.6
153.06995	2.3
154.07780	0.6
155.08527	3.5
157.06456	1.7
158.07312	0.5
159.08046	1.2
159.11707	0.5
160.05182	1.1
161.05991	3.5
165.05595	0.5
165.07001	6.5
168.05707	1.8
169.06483	1.0
171.07968	0.4
173.05991	5.8
173.09634	0.9
173.11691	0.9
173.13162	0.5
175.03853	0.5
175.07553	0.8
181.06412	0.5
182.07304	0.6
183.08038	4.9
185.05934	1.6
185.13182	0.4
186.06779	1.6
187.03909	2.6
187.07504	1.9
197.05927	2.2
199.03960	0.6
201.09071	2.1
203.07040	2.2
210.06770	0.9
211.05504	0.6
211.07520	7.8
212.08260	0.5
213.05463	1.1
213.09052	0.7
214.06244	2.1
215.07112	1.9
224.55527	0.4
229.08589	0.9
239.07022	10.2
239.17860	0.6
240.07742	1.1
242.05745	1.4
257.08081	100.0
257.18887	3.1
258.08423	2.8
274.97452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Emodin anthrone
Peak:m/z	Relative Intensity
53.00287	0.4
53.03948	0.9
53.13488	0.4
55.01871	5.2
55.05505	0.5
56.96556	0.6
59.04989	1.2
61.47543	0.4
65.03953	1.9
67.05170	0.6
67.05505	7.6
68.99783	2.9
69.03427	1.1
69.07069	0.6
69.43413	3.6
79.05492	1.7
81.07037	1.2
83.01334	0.8
91.05470	4.8
93.03390	0.4
93.07047	0.5
95.04972	11.1
95.08576	0.6
97.02881	1.8
98.97586	0.9
103.05481	0.6
105.03389	0.7
105.07034	1.6
107.04955	3.2
109.10161	2.0
115.05447	1.4
116.98605	0.9
117.07023	2.1
119.04967	1.5
121.02859	1.2
121.06522	0.9
123.04432	14.4
125.67600	0.3
128.06206	1.4
129.06990	2.3
130.07851	0.4
131.01239	0.4
131.04924	1.0
131.08571	2.3
133.06517	0.9
133.10132	0.5
134.99677	0.9
135.04410	1.5
135.08049	0.5
137.02374	0.6
141.07005	2.2
143.08542	1.2
144.05656	0.8
145.06519	1.9
145.10094	3.4
147.04414	9.6
147.08047	0.7
149.05983	0.7
153.06981	1.9
154.07806	0.4
155.08563	3.9
157.06506	1.4
157.10114	0.6
158.07265	0.7
159.08055	1.3
159.11685	0.5
160.05219	1.6
161.05971	4.2
163.03874	0.6
165.06998	5.3
168.05742	1.7
169.06454	1.2
169.10133	0.5
171.04379	0.5
171.08015	0.7
171.11737	0.6
173.05978	5.8
173.09573	0.6
173.11783	0.6
175.03902	0.7
175.07544	1.0
182.07176	0.7
183.08070	4.4
185.05959	1.5
185.13280	1.1
186.06761	1.3
187.03957	2.3
187.07542	2.1
193.06458	0.5
197.05975	2.6
197.13322	0.8
198.06396	0.6
201.09135	2.3
203.07034	1.8
207.02838	0.5
210.06738	0.5
211.07533	7.8
212.08159	0.4
213.05495	1.2
213.08992	0.4
214.06187	2.7
215.07089	2.1
229.08653	1.3
239.07043	11.7
239.18079	1.0
240.07782	1.3
242.05766	1.5
257.08090	100.0
257.18808	2.0
257.26779	0.7
258.08371	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	257.0807
Annotation	Stemofuran B
Peak:m/z	Relative Intensity
51.02359	0.2
52.97761	0.1
53.00303	0.3
53.03928	0.5
55.01871	5.4
55.05507	0.8
57.03418	0.3
59.04995	0.9
64.02690	0.1
65.03939	1.9
67.05502	7.1
68.99434	0.2
68.99783	2.8
69.03430	1.3
69.07054	0.3
71.01340	0.3
71.03958	0.2
71.04945	0.2
77.03935	0.3
79.05492	1.6
81.03382	0.4
81.07050	0.7
83.01334	1.5
83.08624	0.3
85.02863	0.2
91.05479	4.9
93.03382	0.5
93.07043	0.3
95.01342	0.3
95.04964	9.5
95.08582	0.6
97.02888	1.6
98.97574	0.3
103.05462	0.3
105.03410	0.7
105.04504	0.3
105.07021	1.9
107.04945	2.7
107.08582	0.3
109.02812	0.2
109.10133	1.3
114.10858	0.1
115.03928	0.2
115.05437	1.8
116.06203	0.3
116.98605	0.3
117.07019	2.0
119.04936	1.2
119.08568	0.6
120.05677	0.1
121.02863	0.9
121.06503	0.8
123.04423	16.0
124.04778	0.2
128.06209	1.1
129.06993	2.1
130.07761	0.5
131.04893	1.0
131.08560	2.5
132.05690	0.4
133.06476	0.9
133.10097	0.3
134.03616	0.2
134.99675	0.4
135.04436	1.3
135.08054	0.8
137.02338	0.5
141.06979	2.5
142.07744	0.2
143.08557	1.9
144.05710	0.9
145.06488	2.1
145.10120	5.0
147.04405	8.6
147.08069	0.7
147.11607	0.2
149.02298	0.1
149.05981	0.8
152.06200	0.4
153.06995	2.2
154.07729	0.6
155.05998	0.3
155.08554	3.5
155.09845	0.2
157.06494	1.4
157.10115	0.5
158.07249	0.7
159.04437	0.2
159.08043	1.4
159.11676	0.6
160.05177	1.5
161.05972	3.7
161.09624	0.3
162.06390	0.1
163.03915	0.4
165.05511	0.5
165.06989	5.8
166.07452	0.2
166.42340	0.2
167.08571	0.3
168.05695	2.2
169.06474	1.2
169.10164	0.4
171.04387	0.4
171.08022	0.3
171.11670	0.7
172.05106	0.3
173.05980	5.7
173.09566	0.9
173.11812	0.2
173.13260	0.4
174.06671	0.4
175.03867	0.7
175.07529	1.0
177.07043	0.2
181.06483	0.3
182.07204	0.3
183.08049	4.9
183.11658	0.6
184.08649	0.1
185.05969	1.4
185.13254	0.2
186.06720	1.4
187.03903	3.0
187.07538	2.1
189.05492	0.2
189.09166	0.3
193.06485	0.4
194.07280	0.2
196.05101	0.2
197.05983	2.8
197.13266	0.4
198.06734	0.3
199.03893	0.5
199.07532	0.2
201.05504	0.3
201.09090	1.8
203.07034	2.2
207.02859	0.2
210.06656	0.7
211.07536	8.0
212.08200	0.6
213.05499	0.8
213.09064	0.4
214.06235	2.4
215.07042	2.3
221.06061	0.3
224.04660	0.2
227.06943	0.2
229.08623	1.0
239.07021	12.6
239.17953	0.7
240.07706	1.5
242.05708	1.5
257.08072	100.0
257.18860	2.0
258.08438	2.7
274.97513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	26.7
58.80929	0.5
70.43547	1.7
71.95265	4.6
98.97582	100.0
110.16030	0.5
116.98619	89.7
118.99049	0.5
119.01942	1.3
121.01608	0.7
130.93306	2.9
134.99657	50.7
140.00180	1.6
142.03488	0.6
148.94298	0.8
153.00722	7.3
158.01308	1.8
169.22343	0.5
172.94383	4.0
177.00955	1.1
179.00598	0.5
182.33841	0.4
190.95406	6.9
198.33769	0.5
208.96449	3.6
214.95374	0.8
216.98677	0.8
232.96442	7.4
234.99815	1.4
250.97507	5.0
251.49190	0.9
251.99321	0.6
256.96402	8.6
263.02948	0.8
274.97507	62.6
275.97827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0593
Annotation	Imidacloprid
Peak:m/z	Relative Intensity
56.05027	4.7
57.04561	0.4
57.34460	0.4
67.49815	0.4
69.07075	0.4
70.15681	1.1
70.16096	0.8
71.06099	0.8
72.06901	0.7
84.05623	25.8
92.04995	0.6
93.05803	0.7
97.06387	1.2
98.07178	1.4
98.21397	0.5
98.98444	0.5
99.05589	4.5
106.06551	0.5
107.06110	0.8
114.01044	0.6
119.06052	0.7
120.05539	0.5
126.01064	5.4
127.01863	0.7
128.02623	14.5
131.06038	0.8
132.06822	0.4
133.06339	1.5
133.07564	1.2
134.07104	1.3
141.02151	1.2
141.24352	0.4
146.05855	1.1
146.07130	3.3
147.06659	3.6
147.07771	0.7
148.08696	1.6
151.01837	1.6
158.07129	1.9
159.06735	0.5
159.07919	2.0
167.02481	0.7
167.03714	2.3
167.04988	0.4
168.03311	0.7
173.08221	4.6
174.09004	12.5
175.09785	98.0
176.10107	1.3
180.03183	0.5
181.02748	1.0
190.11789	0.4
191.09256	0.5
193.03993	0.4
194.04788	1.1
208.05119	0.5
209.05881	100.0
210.06680	9.5
212.05830	10.6
249.90501	0.4
256.05920	5.7
256.26291	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	255.1743
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
52.86493	3.2
55.05508	8.3
57.03432	4.8
57.07059	3.1
58.99397	2.9
67.05497	10.4
68.99792	3.4
69.07062	9.9
69.28447	38.6
71.04980	3.0
79.05502	13.0
81.07056	18.6
83.04984	5.0
83.08616	4.7
91.05471	13.1
93.07049	31.3
95.04956	4.3
95.08615	10.1
97.06518	9.0
98.21541	5.9
98.98465	90.0
100.98913	4.3
105.07037	14.0
106.94215	3.8
107.08599	16.1
107.85770	3.4
109.06541	10.1
116.19483	3.1
116.99454	4.1
117.07041	6.1
119.08591	18.5
121.10157	13.3
123.08077	4.9
128.06229	10.7
129.07021	7.7
131.08574	6.1
133.06511	7.3
133.10124	8.9
135.04385	5.4
135.08069	13.4
135.11772	4.3
141.07030	8.5
142.07811	8.9
143.08585	25.0
145.10135	10.3
153.06944	5.7
154.07784	4.3
155.08586	16.6
156.09367	14.3
157.10078	17.1
159.11699	7.1
160.43506	2.8
165.07031	5.7
167.08554	11.9
168.09302	3.1
169.10104	25.6
170.10948	7.5
171.07976	4.5
171.11699	26.0
173.09485	3.4
173.13272	4.7
175.11269	3.3
181.06537	3.9
181.10107	14.9
182.10901	24.8
183.11682	10.8
185.09573	5.4
185.13257	12.1
193.10257	3.9
195.11722	14.5
196.12457	5.0
197.13266	72.6
198.13998	5.8
199.11182	10.3
207.11711	9.0
208.12299	3.8
209.06010	4.1
209.13380	7.5
211.14828	36.8
212.15640	11.5
213.12830	4.5
213.16373	27.3
222.14056	7.7
225.12762	3.5
227.07083	7.7
237.16472	22.5
240.14926	4.1
255.06502	23.8
255.10287	5.1
255.17485	100.0
256.07007	3.8
259.81302	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	255.1743
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03945	1.1
55.01852	1.5
55.05514	11.3
56.25809	1.1
57.03433	2.5
57.07066	2.7
58.85970	1.1
65.03941	1.8
67.05504	15.1
69.03424	1.8
69.07053	5.2
71.04973	2.0
71.58943	1.3
79.05494	9.3
81.07059	9.2
83.04980	1.5
83.08611	3.6
85.06529	3.0
90.74948	1.1
91.05481	12.1
93.07043	9.3
95.04964	2.5
95.08605	5.6
97.06530	2.7
97.10188	2.0
98.98461	25.9
103.51043	1.1
105.07037	9.9
107.04975	1.5
107.08577	5.6
109.06547	1.6
109.10133	2.5
111.08051	1.6
115.05447	3.1
116.06158	1.3
117.07014	8.6
119.08585	5.3
121.10132	4.0
123.08051	1.1
128.06226	29.8
129.07016	26.0
130.07767	1.9
131.08575	11.9
133.10123	4.4
135.04404	1.8
135.08006	3.5
135.11650	2.5
135.29750	1.0
141.06975	15.3
142.07790	8.3
143.08559	100.0
145.06471	5.6
145.10120	15.5
147.08018	2.8
147.11671	1.9
153.06998	4.6
154.07790	7.1
155.06029	2.1
155.08565	14.4
157.06560	1.5
157.10126	22.8
159.08054	4.6
159.11757	5.9
161.09642	3.3
163.11179	1.4
165.07025	7.3
166.07764	4.9
167.08548	11.2
168.09325	2.6
169.08739	2.3
169.10130	38.5
170.10846	1.7
171.08031	3.5
171.11693	22.1
173.09608	1.4
175.11273	1.5
179.01607	1.1
179.08553	3.8
180.09357	4.9
181.08675	2.1
181.10118	21.5
181.86317	1.1
182.10889	2.6
183.11670	11.1
185.09666	1.6
185.13222	7.5
187.11176	3.6
193.10106	2.6
194.10863	1.6
195.11693	58.8
196.07602	1.4
196.12306	3.2
197.08171	1.2
197.13232	1.7
199.11201	4.8
199.14883	3.7
201.12793	3.2
207.11671	1.7
208.12437	1.9
209.11647	3.2
209.13353	7.0
211.14801	9.9
213.12749	7.2
222.13979	2.2
227.06882	1.2
227.14407	2.2
227.18001	5.4
237.16374	49.0
238.16757	1.1
255.06592	2.6
255.17451	73.8
256.17770	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01868	5.8
55.05264	2.3
55.05513	31.5
57.03150	3.0
57.03436	58.8
57.07076	4.6
65.03941	3.2
66.99752	1.2
67.05502	95.8
68.05801	1.6
69.03431	1.4
69.07066	27.9
71.01350	4.6
71.04991	8.0
71.13726	3.0
79.05490	93.3
81.03410	10.0
81.07052	45.7
83.04981	26.2
83.08625	9.2
85.06519	7.1
88.57527	1.1
91.04910	1.2
91.05479	42.5
93.07041	98.7
93.99967	1.3
95.04979	12.6
95.08614	16.9
97.06532	22.5
97.10163	15.1
98.98460	27.4
99.08081	5.7
105.07002	10.6
107.04962	3.6
107.08588	59.9
108.08870	1.9
109.06523	4.3
109.10160	9.8
111.08092	4.4
111.11755	1.3
115.05445	2.0
117.07004	10.6
119.08570	13.7
121.06524	3.7
121.10146	15.3
125.09653	5.4
128.06175	1.7
129.07047	3.2
130.07791	3.1
131.08575	1.6
133.10149	7.9
135.11684	100.0
136.11978	2.1
137.09608	4.7
139.07576	1.2
143.08545	7.8
145.10123	20.6
153.12645	2.1
155.08510	1.4
157.10118	2.1
159.08122	1.5
163.11165	13.1
167.08502	2.4
169.10184	2.8
171.11716	1.8
181.10109	2.3
181.12228	11.9
185.13171	1.5
195.11711	3.0
199.07568	1.3
199.11255	2.0
227.06979	2.7
237.16498	2.6
246.08366	1.5
255.06404	6.4
255.15634	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
54.50121	2.2
55.01880	6.1
55.05507	33.7
57.03438	64.5
57.07071	5.4
57.42293	2.4
58.03741	2.4
59.97324	2.0
67.05506	95.5
68.05843	2.4
69.03407	3.0
69.07070	36.5
71.01368	4.8
71.04987	11.4
79.05496	85.8
81.03429	10.5
81.07062	51.1
83.04986	24.4
83.08616	10.8
85.06554	8.7
91.05471	46.2
93.07041	95.3
93.07636	5.1
94.07409	3.1
95.04970	11.3
95.08618	16.9
97.06542	21.9
97.10178	21.7
98.98469	69.4
99.08096	6.0
100.98870	4.4
105.07030	9.7
107.04942	7.4
107.08601	58.8
109.06503	5.2
109.10169	13.0
115.05464	3.1
116.99510	2.7
117.07017	9.5
119.08571	15.0
121.06512	4.2
121.10149	12.7
122.50927	2.4
125.09621	4.7
128.06213	2.3
129.06981	3.7
133.10123	7.2
135.04462	4.7
135.11693	100.0
137.09637	4.0
143.08542	4.0
145.10117	20.9
149.13226	2.7
155.08658	2.5
157.06509	2.5
157.10167	3.4
163.11162	12.1
181.06512	3.8
181.12250	11.0
195.07953	3.0
197.13446	2.6
204.64435	2.9
210.71468	2.2
227.07030	4.1
255.06303	11.3
255.10297	4.1
255.15700	37.9
276.19586	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.01866	11.1
55.05511	32.9
56.96558	3.9
57.03435	64.7
57.07064	7.6
65.03934	3.5
67.05505	95.7
69.03436	3.6
69.07066	31.5
71.01345	6.2
71.04986	14.1
71.24566	6.6
77.30051	2.7
79.05495	89.0
79.21468	2.8
81.03424	11.3
81.07059	50.9
83.04971	30.0
83.08630	12.9
85.06557	7.2
88.95824	2.8
91.05484	40.3
93.07046	98.0
95.04948	14.2
95.08602	22.1
97.06532	21.8
97.10163	17.4
98.98466	81.6
99.08083	5.8
105.07042	12.0
107.04946	8.0
107.08592	58.7
109.06524	3.9
109.10156	16.6
110.96297	2.9
111.08031	6.6
116.99496	5.3
117.06999	10.2
119.08588	18.1
121.10118	18.8
123.08090	3.1
125.09637	4.1
129.07042	3.5
131.08571	3.2
133.10155	8.1
135.08063	3.3
135.11693	100.0
136.12038	3.3
137.09532	3.0
143.08618	4.4
145.10118	24.1
151.73878	2.6
153.12784	9.7
157.10124	5.5
163.11217	14.2
175.09811	3.9
181.12299	15.8
185.09676	3.1
209.09850	3.4
227.07054	5.1
251.19495	2.8
255.06520	18.9
255.10170	7.7
255.15706	42.4
255.21051	5.7
262.89240	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01856	4.9
55.05262	2.9
55.05508	36.4
56.96565	3.8
57.03436	52.4
57.07075	5.7
65.03922	5.8
66.58092	2.2
67.05502	89.2
69.03426	5.4
69.07066	35.3
69.92295	14.7
71.01356	4.6
71.04985	8.5
79.05492	71.0
79.45537	2.3
81.03394	9.1
81.07053	50.3
83.04986	19.3
83.08617	10.0
85.06530	7.3
91.05479	30.3
93.07040	82.8
95.04961	14.8
95.08610	21.9
97.06516	24.9
97.10186	19.2
98.98464	78.2
99.04498	2.9
105.07001	8.5
107.04944	7.1
107.08588	53.8
109.06487	3.2
109.10165	13.1
116.99526	3.6
117.06995	6.4
119.08563	7.6
121.06448	5.2
121.10133	17.3
121.95064	2.5
128.06195	3.8
129.07014	2.8
131.04962	3.3
131.08525	5.1
133.10144	5.2
135.07962	3.1
135.11687	100.0
137.09608	3.3
143.08551	3.6
145.10114	21.7
153.12766	3.8
157.06476	2.5
157.10168	4.6
159.11754	2.9
163.11172	12.9
165.07018	4.6
167.08618	3.3
176.99019	3.9
181.06506	2.6
181.12233	13.6
185.09581	4.6
205.60593	2.5
213.05402	2.7
227.06921	3.3
227.11771	3.4
242.48811	2.7
252.76030	2.8
255.06427	14.4
255.10443	9.5
255.15781	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59892	1.8
53.03933	5.7
55.01864	4.1
55.05257	2.8
55.05509	31.4
56.96553	2.3
57.03437	61.6
57.07066	7.6
64.99473	1.5
65.03922	2.1
67.05505	98.7
67.60532	1.7
69.03419	3.4
69.07070	26.0
69.14295	1.5
71.01345	8.5
71.04993	9.6
71.08624	2.2
71.59604	2.3
78.84706	2.0
79.05493	92.9
81.03418	11.9
81.07055	44.7
83.04984	28.8
83.08603	9.5
85.06544	9.5
91.05486	33.4
93.03806	1.6
93.07043	95.3
95.04980	11.7
95.08606	15.4
97.06538	23.3
97.10160	16.5
98.98467	41.5
99.08076	4.8
100.07620	3.6
101.07934	1.7
105.07021	7.0
107.04936	3.4
107.08595	64.9
109.10129	9.5
111.08082	3.5
117.07014	7.7
119.08588	13.5
121.06503	4.7
121.10143	12.6
125.09630	4.3
133.10121	7.2
135.08023	2.8
135.11691	100.0
137.09650	5.2
143.08527	2.5
145.10129	19.1
153.12727	3.3
163.11183	14.3
181.12231	14.0
232.96410	2.1
255.06590	6.1
255.10284	2.6
255.15839	43.0
255.18126	2.6
255.25229	12.4
256.26300	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.4
55.01861	4.7
55.05272	2.1
55.05513	35.3
56.96540	1.6
57.03437	59.7
57.07064	3.0
65.03931	3.5
67.05505	95.1
69.07067	27.2
69.37901	14.3
71.01337	5.1
71.04992	11.3
77.03915	1.5
79.05493	88.9
80.58895	1.4
81.03419	12.3
81.07054	41.6
83.04987	28.9
83.08633	9.0
85.06570	7.0
91.05479	40.5
93.07044	100.0
95.04962	13.0
95.08592	14.4
97.06526	25.8
97.10162	17.0
98.98470	16.0
99.04450	3.5
99.08091	2.6
105.04499	2.6
105.07048	9.8
107.04919	4.0
107.08593	64.8
109.06506	2.4
109.10135	11.0
111.08047	4.3
117.07017	9.0
119.08572	10.4
121.06487	4.2
121.10142	12.6
125.09592	4.4
130.07779	3.0
133.10106	7.5
135.08047	2.8
135.11690	97.3
136.12094	2.7
137.09615	4.2
141.06975	2.2
145.10135	13.9
153.12711	2.4
163.11157	11.1
181.12254	12.5
210.33258	1.4
255.06392	4.1
255.15857	39.8
256.26334	4.8
270.35370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01856	4.8
55.05510	33.0
57.03436	62.7
57.07069	5.8
65.03930	2.3
66.50365	1.3
67.05504	92.9
69.03410	2.1
69.07061	31.9
70.03220	7.5
71.01362	7.6
71.04979	8.8
74.73175	1.5
79.05491	93.7
81.03415	11.0
81.07056	42.1
83.04982	28.8
83.08608	7.4
85.06545	7.3
91.04904	1.6
91.05477	40.3
93.07041	96.7
94.35209	1.6
94.42455	1.3
95.04971	13.3
95.08599	13.3
97.06532	24.5
97.10172	17.1
98.98452	14.4
99.04487	2.2
99.08069	3.8
103.05463	1.9
105.04492	2.4
105.07033	7.0
105.11299	1.5
107.04925	2.8
107.08593	59.0
109.06461	2.3
109.10181	7.5
111.04442	1.4
111.08062	5.1
117.07014	9.2
119.08589	13.5
121.06501	4.7
121.10160	13.6
125.09605	4.8
128.06226	1.8
129.06958	2.2
130.07787	1.5
133.10136	5.6
133.89279	1.6
135.08034	1.9
135.11691	100.0
137.09613	3.7
143.08549	1.9
145.10103	16.3
153.07004	3.5
153.12741	3.4
163.11172	13.6
171.08093	1.8
181.06499	3.1
181.12199	13.5
184.05174	1.8
199.07526	2.1
199.13196	1.9
206.10944	1.5
222.75670	1.6
227.07021	21.9
255.06505	44.5
255.15880	44.0
256.06900	3.0
256.16275	1.4
256.26291	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01865	3.6
55.05508	31.9
57.03437	54.0
57.07076	3.2
60.48740	1.5
65.03929	2.0
67.05504	84.7
69.03413	2.2
69.06718	2.6
69.07066	27.3
70.84737	1.7
70.85083	3.5
70.86097	1.4
71.01345	4.2
71.04992	7.2
78.20289	1.4
78.55503	1.3
79.05492	81.7
81.03412	12.5
81.07056	38.7
83.04981	24.9
83.08614	7.4
85.06541	6.3
91.05479	36.6
93.07043	83.8
95.04985	10.9
95.08614	11.0
97.06542	22.2
97.10186	13.4
98.98475	10.7
99.08086	3.7
105.04480	1.8
105.07015	7.4
107.04972	3.8
107.08589	52.2
109.06535	3.2
109.10151	10.0
111.08082	4.3
117.07012	11.4
119.08588	10.0
121.06516	4.1
121.10157	12.3
125.09637	5.4
130.07657	1.5
133.10107	5.0
135.04427	4.9
135.11688	100.0
137.09604	2.5
139.97945	1.5
145.10109	18.1
153.12743	2.3
163.11172	9.1
169.10204	1.4
181.12271	12.5
215.40390	1.4
225.04181	1.7
255.15851	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36992	3.1
55.01876	4.7
55.05310	2.6
55.05511	30.9
56.96572	4.9
57.03430	57.7
57.07064	4.4
59.70224	3.3
65.03939	3.2
67.05502	95.6
69.03439	3.5
69.07066	36.2
70.17491	10.7
70.17921	4.7
70.71875	2.9
70.96596	3.2
71.01357	6.1
71.04995	8.3
71.08656	3.2
79.05492	89.4
81.03404	9.4
81.07050	44.6
83.04977	35.0
83.08611	9.7
85.06517	4.9
91.05472	38.2
93.06474	6.2
93.07039	96.5
95.04977	15.0
95.08611	18.3
97.06510	27.2
97.10149	17.3
98.98461	90.9
99.08062	5.6
105.07021	9.3
107.04986	5.2
107.08585	53.4
109.10146	12.8
117.07001	10.4
119.08556	15.0
121.10144	13.2
133.10126	6.1
135.11679	100.0
137.09546	3.7
139.07445	3.2
143.08543	4.1
145.10118	20.0
153.12743	6.5
157.10141	5.6
163.11188	10.9
171.08054	5.1
181.12206	11.4
197.13202	3.8
227.06886	7.8
254.99776	3.8
255.06453	24.3
255.15651	36.2
273.12979	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	255.1016
Annotation	7-Methoxyflavanone
Peak:m/z	Relative Intensity
51.02369	0.4
53.03949	1.7
55.01863	0.8
56.96551	0.3
57.03433	0.3
57.07066	0.5
63.97182	0.3
65.03931	0.4
65.15586	0.2
67.05502	0.7
69.07059	0.4
71.10642	0.5
71.10995	0.3
77.03940	0.4
79.01720	0.3
79.05492	5.8
81.03414	0.4
81.07059	0.6
83.04985	0.4
83.75970	0.2
91.05474	2.1
93.07053	2.8
95.04974	3.2
98.98476	3.8
100.98951	0.3
103.05477	0.3
105.04517	0.7
105.07033	2.2
107.04955	100.0
108.05270	1.4
110.10404	0.2
111.04450	0.4
115.05445	0.3
116.99508	0.4
117.06985	0.4
121.02866	0.3
121.06493	2.3
131.04903	0.3
133.06499	2.6
135.04416	26.7
135.11687	0.3
136.04778	0.4
141.06998	0.3
143.08563	0.3
145.06483	0.3
149.05969	1.1
153.05450	0.5
157.06474	0.6
157.10080	0.3
161.05969	4.1
165.07069	0.4
171.08092	0.6
181.06491	0.4
181.10069	0.3
185.09695	1.4
194.07288	0.4
195.07967	0.4
209.09673	0.9
209.11783	1.1
213.09195	0.3
219.08269	0.3
227.10634	0.5
237.09140	0.4
255.06580	0.9
255.10187	6.0
255.17574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.065
Annotation	7758-73-8
Peak:m/z	Relative Intensity
55.01873	2.0
55.05504	0.6
56.42191	0.4
56.96558	0.3
57.03432	0.9
57.07090	0.5
65.03935	0.9
67.05501	1.7
68.99789	1.3
69.03431	0.5
69.07068	0.6
69.59378	0.6
69.59785	1.9
71.04990	0.3
79.05489	1.6
81.03409	0.5
81.07050	1.3
83.04991	0.7
91.05479	2.2
93.07047	1.8
95.04985	0.5
95.08598	0.9
97.06554	0.5
97.10184	0.3
98.98463	8.2
100.98856	0.4
105.03371	0.6
107.08602	0.9
109.10173	0.7
115.05453	1.1
116.98631	0.3
116.99451	0.4
117.07019	0.4
121.10141	0.4
128.06219	5.4
129.07028	2.2
131.04933	2.5
131.08568	0.7
133.02863	0.5
134.03633	2.2
135.11703	1.2
141.07001	1.1
142.07825	0.5
143.08578	2.7
145.06465	0.8
145.10118	0.7
147.04411	0.9
152.06201	4.2
153.06993	7.5
155.06113	0.4
155.08484	0.4
157.06465	2.0
157.10172	0.5
159.04433	1.0
159.08063	0.4
161.01114	0.3
161.02345	0.7
161.06017	0.7
169.06555	0.9
171.08058	5.3
181.06451	8.9
181.07880	0.7
182.07271	1.1
184.05193	5.4
185.05983	1.1
187.03906	0.7
195.11873	0.4
195.13770	0.7
197.05962	1.1
198.06717	1.3
199.07549	6.3
210.06718	1.0
211.41270	0.4
226.06248	1.4
227.07025	48.4
228.07353	1.1
237.16217	0.4
255.06517	100.0
255.17412	1.0
256.06815	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01880	0.5
55.05510	0.6
56.96564	0.7
67.49389	0.3
70.13959	0.6
70.14350	0.9
72.08156	7.9
79.05495	0.8
81.07080	1.7
91.05482	4.5
93.07044	7.9
95.04969	1.5
98.98473	5.6
103.05465	4.5
110.03642	0.3
116.10713	1.0
121.06506	100.0
122.06832	1.2
128.59160	0.4
138.67058	0.4
155.41092	0.4
192.13838	59.6
193.14180	1.0
236.16449	6.0
239.03612	0.4
254.15129	0.5
254.17525	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62416	0.3
55.05503	1.5
56.05056	0.3
56.96553	0.4
57.64796	0.4
58.02952	1.0
66.69846	0.4
67.05497	1.6
68.05041	0.7
69.07059	2.0
70.06579	0.3
71.04975	0.6
71.09139	0.4
71.09506	1.1
79.05492	2.6
80.05013	1.2
81.07049	2.2
82.06576	0.6
83.08602	0.7
84.08156	0.4
86.02415	0.4
88.03987	1.6
91.05456	1.2
93.07045	5.0
94.06535	0.9
95.08604	1.1
96.08131	0.4
98.98465	10.6
105.07043	1.1
107.08599	2.4
108.08113	4.1
109.08806	0.4
109.10147	0.8
110.09661	1.2
114.05521	0.7
116.99487	0.5
119.08566	0.8
121.10149	0.6
122.09670	6.7
122.10499	0.7
123.10477	0.7
123.11692	0.4
126.05473	0.9
128.07050	0.8
133.10056	0.5
135.10616	0.6
135.11681	3.4
136.11209	3.7
137.13226	0.4
138.05489	1.4
140.07074	0.7
142.08586	1.8
150.12778	3.5
151.13577	3.4
152.07042	1.0
153.07840	1.0
154.08598	1.3
156.10172	0.6
156.75154	0.3
164.14368	6.7
166.08630	2.9
166.15952	0.4
167.09412	0.9
168.10175	2.2
176.98837	0.5
179.14214	0.4
180.10191	3.8
181.11014	1.8
182.11777	0.7
197.05679	0.5
208.13353	2.1
210.14890	100.0
211.15176	2.1
212.16441	5.5
235.60834	0.4
254.17508	35.5
255.06503	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	254.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01869	2.6
55.05269	1.2
55.05510	18.0
56.96571	5.1
57.07057	1.8
65.03946	1.1
67.05497	5.9
68.05013	1.7
68.66014	0.9
69.07054	4.2
71.58906	1.5
78.22722	0.9
79.05502	5.1
80.05008	7.5
81.07061	4.8
83.04954	1.2
83.08620	7.2
91.05454	2.4
93.07037	1.5
94.06570	27.3
95.08588	1.7
96.04467	2.2
96.08095	3.2
97.10144	3.2
98.98464	30.7
106.06550	7.4
107.07311	3.2
107.08572	2.8
108.08117	11.2
109.10166	1.1
112.07607	20.4
120.08121	1.7
124.07589	62.4
126.09196	1.5
154.50357	1.2
163.74194	1.1
189.51488	1.2
190.15968	1.3
218.15376	8.7
236.16446	55.1
237.16707	2.2
242.11510	1.1
254.11800	2.2
254.17517	100.0
255.06529	1.6
255.17705	3.8
260.12582	2.3
272.12558	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	254.1611
Annotation	CI 4
Peak:m/z	Relative Intensity
55.05428	0.9
55.27316	0.5
56.96473	1.3
70.06474	16.6
70.06902	3.0
70.87405	0.8
79.05405	0.6
81.06937	2.3
82.05209	0.7
82.06506	0.7
83.05985	3.3
88.07539	0.9
93.04410	2.0
95.05974	3.9
97.07544	1.7
98.05937	14.7
98.06619	0.9
98.98463	4.8
110.07160	13.1
122.09634	3.0
125.07108	20.9
154.07353	1.0
161.01205	0.7
163.12300	6.2
166.13361	1.8
167.11800	24.3
168.12115	0.6
190.13335	2.5
193.09779	0.7
194.12883	8.9
195.11285	100.0
196.11676	1.4
197.05586	1.8
208.14470	7.9
212.13872	1.0
237.13486	4.0
249.03014	0.6
254.16202	56.3
255.16478	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	254.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.03945	1.9
53.23322	0.3
55.01870	0.7
55.05497	0.6
56.06858	0.3
56.96557	0.4
67.05499	0.7
67.13361	0.3
69.03407	0.3
69.07051	0.6
70.90825	0.5
70.91163	0.4
71.04976	0.3
73.75323	0.3
79.05491	0.8
81.07041	1.0
81.07580	0.3
84.08138	0.6
91.05480	10.7
93.07041	17.6
94.07400	0.4
95.04965	6.5
95.08614	0.4
97.02800	0.4
98.98470	6.6
103.05468	13.2
105.04528	0.4
105.07067	0.3
107.04975	0.3
107.08612	0.7
109.10139	0.5
115.05392	0.5
116.99448	0.3
118.06535	1.7
119.07328	1.8
119.08643	0.3
120.08118	1.0
121.06503	100.0
122.06835	1.7
132.08095	0.6
133.88463	0.3
134.09650	51.0
135.09973	0.8
142.06592	0.4
147.60014	0.3
159.09193	0.7
163.11275	0.4
169.07626	1.3
170.06030	1.2
181.06468	0.4
183.09233	0.7
187.08670	0.6
197.05708	0.5
254.15399	34.4
255.06601	0.8
255.15701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	26.4
58.47976	3.1
65.03954	3.5
69.03429	3.4
69.76839	18.4
69.77254	5.3
71.01340	5.9
71.04989	9.3
75.04476	9.9
79.05507	4.2
98.20773	6.6
98.98466	100.0
99.76063	3.3
100.98911	4.7
103.03962	11.8
105.07032	3.7
109.18008	3.0
110.07147	3.4
110.62714	3.6
120.08101	9.6
121.02829	6.6
121.08449	5.8
143.00140	7.9
159.02888	29.7
161.01253	19.5
163.03943	10.2
167.09114	3.4
179.02325	5.4
197.05569	20.2
208.00372	3.8
208.13306	4.7
219.04991	39.2
249.02779	17.4
253.20999	3.3
254.00888	15.7
254.14178	3.6
267.03879	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	254.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27041	0.1
68.41369	0.1
69.56394	1.2
72.58784	0.1
81.02737	0.1
81.04568	0.2
96.04466	0.2
98.98453	2.1
105.04524	0.2
107.06086	0.2
108.73342	0.1
109.07607	0.2
123.05585	0.2
124.37526	0.1
125.03504	0.7
133.03961	1.1
137.07051	0.2
143.04472	0.2
151.05028	3.8
152.05815	0.4
153.06598	1.0
161.96011	0.1
168.23721	0.1
169.06078	2.6
179.04382	0.9
192.00894	0.4
197.05573	100.0
198.05928	1.3
198.11940	0.2
199.05971	0.2
208.00450	0.3
208.07201	1.8
236.06644	0.4
244.01193	0.2
254.00955	2.8
254.07722	11.4
254.12106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15648	0.7
53.03944	2.5
55.01873	10.8
55.05511	7.5
57.03436	4.2
57.07073	2.7
62.83154	0.7
65.03948	1.3
66.11864	0.7
67.05503	42.8
69.03426	3.0
69.07066	10.3
71.05009	4.9
71.58884	1.1
79.05491	18.4
79.60550	0.8
81.03420	6.6
81.07053	38.1
83.04971	7.6
83.08611	2.1
85.06540	5.0
91.05480	32.1
93.07044	11.6
95.04964	6.6
95.08603	5.7
97.02871	1.0
97.06536	3.1
98.98464	100.0
99.04421	1.7
99.08112	0.7
100.98889	1.1
105.07031	26.2
107.04940	2.0
107.08594	21.2
109.06513	4.6
109.10155	41.2
113.06013	2.6
116.99496	5.7
117.06993	1.1
119.08567	3.3
123.08055	1.0
123.11706	7.5
127.07526	2.3
128.06219	1.0
131.08589	1.5
133.10126	48.2
134.10416	0.9
139.52173	0.7
140.01074	1.3
141.05490	0.9
141.06956	0.8
143.08566	1.2
151.11177	25.0
161.09573	2.1
169.12285	3.5
176.98965	1.4
179.10625	1.6
197.11690	2.2
200.91060	0.9
253.14330	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.123
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
55.01860	2.6
56.05024	1.2
56.96557	1.4
57.03392	1.0
60.04520	1.9
69.03404	1.0
70.06571	1.7
71.58411	1.2
72.08140	1.2
73.02897	0.8
79.05495	4.0
80.02038	0.8
81.07070	0.9
84.04508	1.0
84.08138	1.6
87.04463	1.5
91.05475	3.4
94.06530	1.4
95.04963	1.1
95.06075	1.5
98.98465	100.0
100.07637	0.7
100.98901	1.1
103.05460	5.9
104.06250	1.6
104.07083	1.5
105.07031	43.2
110.07127	0.9
111.05536	0.9
115.05461	9.1
116.99493	4.3
118.04143	3.0
119.06033	0.8
122.05104	0.8
122.06007	1.1
131.04961	1.6
132.05684	0.9
133.06488	38.0
136.06184	24.4
137.05939	0.9
143.04851	1.0
143.06033	1.8
149.05894	1.2
158.08229	1.1
160.05157	0.8
160.07578	14.6
161.05984	48.4
162.06369	1.1
167.07033	4.0
174.99304	1.5
178.08618	1.1
179.11769	1.9
188.07071	2.1
190.10803	3.8
191.09401	13.5
193.08598	53.3
206.08084	6.8
208.09641	2.2
210.11250	7.5
219.08878	3.8
220.09668	1.6
222.07681	2.0
224.09093	0.9
234.07628	1.5
234.09737	0.9
237.09912	6.9
252.08607	1.5
252.12323	47.1
252.20647	0.9
252.23315	1.5
253.12524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03946	2.0
53.56689	0.6
55.01624	1.0
55.01871	9.8
55.05510	6.9
57.03436	3.1
57.07061	1.9
62.65216	0.6
64.57934	0.6
65.03932	1.4
67.05505	35.3
69.03429	3.4
69.07066	8.5
69.30569	1.9
69.30975	5.7
71.05000	4.9
73.56325	0.6
79.05491	15.4
81.03415	5.9
81.07056	34.5
83.04982	6.2
83.08617	2.0
85.06547	3.5
91.05482	28.7
93.07041	11.0
95.04980	5.0
95.08624	5.3
97.02927	0.9
97.06516	3.2
97.10143	0.8
98.20778	1.1
98.98466	100.0
99.04454	1.9
99.08087	0.9
100.98888	1.2
105.07031	22.7
107.04977	1.6
107.08592	18.4
108.08990	0.8
109.06519	3.9
109.10156	35.2
113.06029	1.9
116.99521	4.9
117.07050	1.1
119.08573	2.4
123.04424	0.8
123.08042	0.8
123.11728	5.5
127.07557	2.0
131.08588	1.6
133.10133	41.3
140.01070	1.6
141.05455	1.2
141.48325	0.7
143.08546	1.2
151.11182	21.6
161.09602	2.4
169.12233	3.3
174.99290	1.5
179.10678	1.3
197.11755	1.6
211.92052	0.6
225.14854	1.0
253.08665	2.1
253.14345	68.6
254.14607	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90913	1.0
70.84724	2.3
70.85097	2.3
79.05490	36.1
81.07044	2.0
87.00838	4.2
90.18407	1.0
95.04959	1.3
98.98477	9.9
103.05468	8.5
104.03463	49.0
105.07096	1.1
106.06554	34.4
107.04954	100.0
119.03567	1.5
119.08578	1.7
120.08087	10.8
121.10133	2.6
131.04935	28.5
132.04424	1.9
136.06186	50.8
137.04561	1.5
149.06001	7.6
188.07025	1.9
192.06557	25.4
206.08171	4.2
234.07739	1.3
234.13499	7.9
236.22038	1.1
252.14536	22.5
252.19653	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	250.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07977	0.6
55.01856	1.0
55.05484	1.0
55.58549	0.6
56.96560	0.7
57.03432	0.8
61.71190	0.6
67.05492	0.6
69.03409	0.7
69.07061	1.1
71.04992	33.3
71.58002	1.2
72.08154	0.6
77.01569	0.8
91.05454	1.6
92.05006	0.7
93.07026	0.7
94.46012	0.6
95.04949	0.6
95.08607	1.2
98.98464	100.0
99.04455	10.0
99.20959	0.6
105.07025	1.3
106.06532	0.8
107.08635	0.7
116.99503	5.1
117.05526	2.3
117.07049	1.3
118.06542	8.3
119.04932	1.9
119.07312	8.6
121.06549	0.8
134.03783	0.6
134.09648	76.5
135.09996	1.4
136.06184	17.0
140.01132	1.5
147.04385	4.7
148.03741	1.1
149.04065	2.2
153.05554	0.9
156.04637	0.7
163.03984	1.8
165.21411	0.6
168.54239	0.6
174.99348	1.9
175.02113	0.8
176.03273	1.1
177.03601	2.6
184.04056	1.6
203.04439	1.1
204.04616	7.6
250.05202	7.7
250.14604	38.0
250.21709	1.2
251.14778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03939	7.2
55.01626	2.5
55.01873	31.7
55.05507	25.1
56.96565	3.1
57.03416	2.8
57.07074	9.5
65.03949	1.7
67.05504	68.9
69.03423	2.3
69.07068	24.3
71.04996	2.1
71.08620	2.8
73.06552	2.5
79.05493	21.3
81.03416	18.0
81.06580	3.2
81.07055	46.8
81.85711	1.5
83.04980	14.5
83.08638	7.1
85.06515	2.1
88.07589	1.6
91.05486	20.3
93.07040	30.8
95.04961	9.8
95.08604	71.4
97.06528	19.4
97.10162	6.9
105.07030	14.0
107.04948	9.5
107.08580	15.2
109.06535	8.1
109.10157	27.0
111.08054	4.1
117.07036	1.5
119.08595	16.6
121.06486	2.2
121.10125	15.7
123.08065	33.7
123.11700	7.2
133.10107	8.5
135.11656	8.0
137.06023	1.5
137.09612	75.5
137.13235	1.9
139.11224	1.7
144.71507	1.7
147.11626	7.7
149.13245	9.2
151.11159	9.2
151.14783	2.5
153.12776	3.2
161.13251	8.7
162.16177	1.8
163.11201	3.5
163.14806	4.3
165.12746	7.5
167.14270	8.7
175.14803	5.5
179.14297	4.4
189.16515	2.4
193.15819	2.2
194.11769	18.9
203.17825	2.1
221.48834	1.5
229.15332	1.6
231.21100	18.9
249.22136	100.0
250.17961	4.3
250.22476	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	249.2212
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03947	22.6
55.01877	7.2
55.05268	2.3
55.05512	38.3
57.03431	2.1
57.07071	6.3
59.04981	1.9
65.03929	3.4
67.05505	66.2
69.03427	3.6
69.07066	45.6
71.04971	3.2
71.08618	4.1
71.59502	2.6
73.79116	1.4
79.05061	2.5
79.05491	33.3
81.03419	89.6
81.07054	65.3
83.04982	20.3
83.08622	13.0
85.06519	2.3
85.10178	2.7
86.27577	1.3
90.61697	1.4
91.05476	14.8
93.07041	28.4
95.04968	38.7
95.08607	31.1
97.06532	6.2
97.10161	13.5
99.08096	2.3
100.62910	1.1
105.07024	18.5
106.48025	1.4
107.04242	1.4
107.08599	18.1
109.06522	12.1
109.10152	20.6
111.08061	2.4
111.11723	1.3
113.09634	3.2
114.65695	1.3
119.08588	12.6
121.10153	14.5
123.08052	5.5
123.11715	10.1
125.09594	3.8
131.08542	2.3
133.10133	18.2
135.08177	1.4
135.11699	8.4
137.09555	3.3
137.13252	2.5
144.75818	1.4
147.11670	6.2
149.13220	3.8
151.09953	2.3
151.11180	43.5
151.14789	2.6
153.12718	3.2
154.02644	1.4
161.09706	1.9
161.13324	6.5
162.88275	1.2
165.12741	15.7
165.16425	1.5
167.14297	1.5
175.14816	3.0
177.16307	1.8
179.14299	8.2
191.17947	4.4
193.15868	2.6
199.45691	1.2
231.21059	9.4
249.18481	5.4
249.22141	100.0
250.22455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.42885	1.1
50.49081	1.1
53.03948	7.2
53.96014	0.9
55.01850	1.0
55.05511	8.7
56.96560	1.5
57.07073	2.9
61.56018	1.1
61.86341	1.0
63.33300	1.1
65.03933	1.6
67.05503	35.7
69.07066	10.2
69.63731	6.7
69.64149	2.3
73.06557	2.1
78.23975	1.0
79.05492	72.5
81.07055	31.4
83.04982	2.3
83.08620	3.2
85.06543	6.1
91.05479	47.1
93.07042	100.0
95.04973	12.1
95.08050	1.8
95.08611	24.1
98.21531	2.1
99.08037	2.6
105.04520	2.4
105.07029	14.8
107.08593	35.4
108.08897	1.4
109.06534	2.0
109.10156	9.6
111.08048	1.3
115.07536	1.7
117.07028	3.9
119.08582	21.7
120.08839	1.0
121.06535	1.9
121.10140	59.8
123.08081	2.3
123.11686	3.3
129.07019	2.1
131.08565	9.5
133.10133	24.9
135.08084	3.8
135.11699	11.0
137.09615	3.2
137.13255	1.6
143.08574	3.1
145.10158	3.8
147.11685	4.5
149.09630	2.7
149.13255	1.3
151.11215	2.0
151.14816	2.3
157.10164	5.4
161.05919	1.2
161.09557	2.9
161.13266	3.3
167.10652	1.4
171.11664	3.0
173.13261	2.5
175.14836	12.2
189.12711	1.3
189.16391	5.7
192.04059	1.2
199.14810	13.4
217.15843	8.3
221.13220	1.2
231.21109	3.2
249.18524	22.3
249.22076	7.8
267.09097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1598
Annotation	(R)-pindolol
Peak:m/z	Relative Intensity
55.01855	0.9
55.05499	3.6
55.68953	0.7
57.03424	0.8
61.08564	0.6
63.02590	0.7
64.14394	0.7
65.03953	1.0
67.05502	3.5
68.05007	1.3
69.03422	3.4
69.07062	1.4
69.47080	3.3
69.47510	2.6
69.54027	0.7
79.05492	6.5
80.04993	0.8
81.03394	2.4
81.05789	2.9
81.07049	7.2
82.06580	1.5
83.04960	1.1
83.08609	1.6
85.02892	2.7
87.27670	0.7
91.05486	5.4
93.07033	3.3
94.06580	6.7
95.04974	3.0
95.08614	2.5
96.03900	1.0
96.04492	14.0
96.08132	11.6
97.02900	1.5
97.05278	1.8
97.08930	1.1
98.06046	1.7
98.09680	1.8
98.21423	1.4
98.97554	2.0
99.04437	0.9
105.07057	3.8
106.06568	2.1
107.04957	1.6
107.08583	4.5
108.08120	6.8
109.06513	3.4
109.10135	2.4
110.06042	41.5
110.09688	3.9
111.09782	0.7
115.05475	0.9
116.98614	1.6
117.06999	1.5
117.52235	0.7
119.08583	2.9
121.06540	0.9
121.10139	2.8
122.06042	5.1
122.09662	1.3
123.04395	1.2
123.08086	1.0
124.07594	61.6
125.08378	41.0
126.09158	40.4
127.03912	1.9
128.06239	1.9
129.07002	3.6
131.04921	0.9
131.08568	4.7
132.08124	1.2
133.06482	1.4
133.10088	1.9
133.67542	0.7
134.09656	10.6
134.99657	1.5
135.04372	1.2
135.08081	1.0
135.10437	1.6
135.11621	1.5
136.07579	2.0
136.11217	1.1
141.06970	1.5
142.07777	1.0
143.08572	0.7
144.05710	1.9
145.06470	0.9
145.10115	0.9
146.09677	1.0
147.08057	1.3
147.11667	1.3
149.09555	0.7
150.09132	0.7
152.10695	12.7
154.12238	1.7
156.09325	1.2
157.06441	1.5
157.08832	1.2
158.09650	2.1
159.08025	5.3
159.10394	1.9
159.11627	1.4
160.07550	0.9
160.11263	1.5
161.05974	1.8
161.09573	2.2
162.12756	1.2
163.03896	1.1
164.10713	1.7
171.08061	1.0
173.12025	2.3
174.09146	2.8
175.14732	0.8
176.10754	0.7
177.00716	1.2
177.05449	1.0
182.73518	1.0
186.12779	6.9
187.07549	2.3
188.10683	0.9
188.12831	1.3
188.14368	14.3
189.05464	1.1
189.09071	2.5
189.12772	0.9
190.12294	1.2
191.02286	1.3
199.09924	0.9
201.10306	1.3
202.10974	2.8
203.07022	1.0
203.15504	1.6
204.07832	2.0
204.13799	2.4
205.08580	1.1
214.12247	4.2
216.12560	3.9
221.16524	8.7
231.14934	67.2
232.13341	6.2
232.15285	1.3
249.11517	13.8
249.16005	100.0
250.16315	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03935	0.9
55.05508	0.6
57.03414	0.9
65.96569	0.5
67.05499	1.8
69.03432	3.5
69.64738	3.5
71.04955	0.6
75.54954	0.4
79.05491	1.4
81.03398	1.0
81.07040	0.7
85.02874	1.5
87.00793	0.5
91.04965	0.8
91.05482	9.2
93.07050	1.2
94.85412	0.4
95.08613	0.7
97.02887	1.0
99.04456	0.7
102.05496	0.8
103.05444	1.4
105.07021	4.2
106.40606	0.4
107.04964	2.9
107.08601	1.0
110.15338	0.4
115.05447	6.8
116.06242	5.6
117.07014	3.7
119.04925	0.7
119.06062	0.5
119.08570	1.4
121.06522	0.9
121.10133	0.6
123.04411	0.6
125.48710	0.5
127.03865	0.6
128.06226	13.4
129.07008	25.6
129.45114	0.4
130.07787	1.3
131.04950	3.3
131.08565	21.7
132.05714	2.0
133.06488	3.9
133.10124	1.9
135.04419	1.6
135.08051	0.6
139.05412	0.5
141.06976	11.1
142.07767	5.5
143.04910	0.8
143.08585	3.6
144.05704	10.8
145.06483	8.7
145.10184	0.5
146.03661	0.5
146.07275	4.1
147.04413	1.3
147.08028	1.6
147.11678	0.9
152.06206	1.1
153.07043	2.3
154.21762	0.5
155.04948	0.8
155.06079	1.2
156.05672	2.4
157.06491	11.0
158.07254	3.3
159.04417	0.8
159.08054	33.6
160.05177	1.8
160.08618	0.9
161.05983	5.4
161.09621	8.3
167.07053	1.3
169.06403	2.1
169.07692	2.6
170.07263	10.3
171.04291	1.1
171.08041	7.5
171.27847	0.4
172.05194	4.9
173.05989	4.9
174.06786	3.7
175.04024	0.7
175.07524	3.7
177.05486	0.8
178.06253	0.6
185.05992	1.8
186.06662	0.8
187.07536	21.3
188.04892	0.5
188.08231	1.3
189.05508	4.6
189.09111	12.4
189.12703	0.6
190.06270	1.8
191.07037	1.4
193.08582	1.0
198.06758	2.1
199.07584	3.6
201.05455	2.4
203.07059	7.0
204.07814	14.8
205.08594	2.9
206.09464	0.9
216.07840	4.3
217.08472	2.1
218.09341	1.5
219.10214	2.6
221.08177	1.0
221.11766	3.4
231.10165	8.0
234.08873	1.5
249.11221	100.0
250.11594	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.05510	0.8
56.96535	0.6
67.00584	0.6
67.05504	1.3
67.10995	0.5
69.03415	1.7
69.07069	0.6
70.72552	0.9
70.72913	1.6
79.05473	1.3
81.07058	1.5
85.02921	1.1
91.05483	7.7
93.07016	0.9
95.04940	0.8
95.08598	1.0
97.02856	0.8
98.97585	2.5
103.05479	1.6
105.07035	4.3
105.07644	0.7
107.04952	2.0
107.08585	0.7
110.47409	0.5
115.05444	8.0
116.06262	3.9
116.98644	1.6
117.07008	3.1
119.08576	1.4
120.39868	0.6
121.10149	0.7
128.06213	12.8
129.06998	24.4
130.07799	1.2
131.00182	0.6
131.04929	3.0
131.08563	19.7
132.05692	1.5
133.06441	3.4
133.10101	2.4
139.05446	0.7
141.05957	1.0
141.06972	10.8
142.07840	4.4
143.04930	0.8
143.08553	2.5
144.05696	11.6
145.06479	7.2
146.07256	4.7
147.04408	1.6
147.08012	1.0
149.01155	0.7
152.06201	1.6
153.06944	2.1
155.06036	1.7
156.05663	1.9
157.06488	12.8
158.07278	3.5
159.08049	30.8
160.05174	1.4
161.05989	5.5
161.09602	8.0
161.75548	0.6
167.04875	0.7
167.07056	1.6
169.06439	1.9
169.07686	2.8
170.07280	9.0
171.02275	1.1
171.04387	1.9
171.08078	6.6
172.05197	3.7
173.06038	4.8
174.06760	3.1
175.07516	3.6
177.00668	1.3
184.05214	0.9
185.05957	0.9
186.06772	1.1
187.07544	21.8
188.08211	1.5
189.05473	4.4
189.09096	11.5
190.06235	1.3
191.02232	1.2
191.06996	1.7
193.08600	1.0
198.06738	1.7
199.07588	3.9
201.05469	1.1
203.07010	6.8
204.07822	14.5
205.08604	1.8
206.09116	1.3
216.07800	4.0
217.08598	1.4
218.09392	2.0
219.10121	1.9
221.08098	1.5
221.11731	4.1
231.10153	8.8
234.08951	0.9
249.11212	100.0
250.11642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
57.03419	1.3
67.05495	1.8
69.03413	2.5
70.92815	1.1
79.05473	0.8
81.03422	1.0
85.02891	1.5
87.00848	0.9
91.05478	10.3
93.07025	0.8
95.08621	1.0
97.02894	1.0
98.97586	1.1
103.05466	2.3
105.07042	5.1
107.04950	2.9
109.06557	0.8
111.36822	0.6
115.05446	7.7
116.06241	5.7
116.98592	1.0
117.07054	3.8
119.04921	1.0
119.08671	1.6
119.09558	0.6
121.06429	0.7
128.06221	12.5
129.07002	26.6
130.07803	1.2
131.04924	3.1
131.08565	23.0
132.05710	1.8
133.06496	3.8
133.10149	2.5
141.05962	1.1
141.06978	12.5
142.07779	5.1
143.04924	1.4
143.08549	3.8
144.05693	9.4
145.06487	9.1
146.07272	4.2
147.04419	1.1
152.06180	1.7
153.06964	2.4
155.06038	1.2
156.05696	2.6
157.06479	12.7
158.07265	3.2
159.08055	35.5
160.05164	1.1
160.08499	0.7
161.05975	5.2
161.09630	9.4
167.07008	1.3
169.06425	2.2
169.07643	3.0
170.07254	10.5
171.04369	2.0
171.08044	8.9
171.09348	1.0
172.05177	4.0
173.05969	4.4
174.06770	3.4
175.07578	5.2
178.06204	1.2
185.05972	1.2
187.07545	22.7
188.08278	2.1
189.05447	4.6
189.09076	11.6
190.06253	2.1
191.02299	0.8
191.06998	1.6
193.08530	1.0
198.06769	2.4
199.07555	4.3
201.05476	2.8
203.06972	6.0
204.07822	15.6
205.08609	2.4
206.09378	1.3
216.07845	4.3
217.08521	1.3
218.09390	1.9
219.10120	2.6
221.08025	1.1
221.11784	3.4
231.10167	8.5
234.08890	1.3
249.11215	100.0
250.11557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0482
Annotation	Fludioxonil
Peak:m/z	Relative Intensity
50.52025	0.7
66.68491	0.7
69.03425	1.7
69.43591	0.8
71.10558	1.5
76.90818	0.7
79.05496	0.8
85.02896	1.8
91.05471	1.2
98.04045	7.0
111.04490	0.9
115.05455	1.0
119.08615	0.8
122.02409	0.7
126.03564	1.6
127.03915	1.0
128.03091	4.0
129.03874	6.8
134.04732	1.8
135.03522	0.9
135.04434	1.0
140.03085	0.8
143.04893	0.9
144.02548	2.1
146.02113	5.5
146.03183	0.8
146.03535	0.6
147.02878	0.8
148.03688	41.5
155.04172	7.8
160.05130	0.9
164.03154	1.3
174.01627	19.8
176.03194	30.7
176.04622	1.7
179.01907	2.3
179.07034	1.0
183.03668	18.6
187.07520	0.8
188.03259	0.8
191.06973	2.1
192.02643	1.7
203.04279	99.8
204.04535	1.6
219.06488	4.8
249.04845	100.0
249.15755	78.1
250.05374	1.0
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
55.05501	0.2
56.96558	0.6
58.21932	0.2
58.86019	0.2
67.05478	0.4
71.03886	0.8
71.04989	0.3
79.05470	0.8
81.07050	0.6
85.02905	0.3
91.05457	0.8
93.03396	0.5
93.07046	0.6
94.03729	0.2
95.08632	0.3
97.02921	0.2
98.97584	0.5
103.05446	0.4
104.05849	0.4
105.07026	0.3
107.04955	0.4
107.08576	0.4
116.98621	0.6
117.05739	0.6
117.06998	0.4
118.06551	6.7
119.07335	0.3
119.08540	0.4
121.06483	0.4
121.10125	0.3
129.06996	0.5
131.07317	0.5
131.08569	0.6
132.08084	3.3
133.06497	0.3
133.08879	1.0
133.10115	0.7
134.09665	0.5
135.04356	0.3
142.92516	0.3
144.08057	0.6
145.08932	0.4
146.09633	2.3
147.11697	0.4
149.72411	0.3
158.09676	0.3
159.08121	0.4
160.08418	0.3
160.11220	0.6
174.12764	1.2
176.14351	14.1
177.00711	0.5
187.07619	0.4
189.12822	0.4
190.08635	13.8
191.07048	1.5
191.09238	0.4
192.07388	3.4
202.08530	0.3
202.15887	2.4
203.16676	0.9
204.10194	7.0
205.10965	1.9
206.11755	0.5
218.11761	5.3
232.13380	0.4
248.06372	1.1
248.16457	100.0
249.11298	1.2
249.14946	0.4
249.16890	2.8
258.49203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0917
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
51.02392	1.0
53.03946	22.3
53.04200	1.1
55.01874	6.4
55.05504	2.4
56.05031	0.9
56.96556	1.0
57.03436	0.7
65.03949	3.1
67.05505	27.4
68.06247	0.7
69.03419	2.3
69.07069	2.0
69.73415	0.6
70.06590	1.3
71.59332	1.1
72.08145	0.7
79.05492	4.2
80.05013	1.3
81.03416	85.2
81.07037	2.1
82.03763	0.7
82.06599	0.9
83.01934	0.6
84.08151	1.1
85.02908	0.8
91.05472	2.9
93.05770	1.7
93.07042	1.3
94.06570	6.7
95.04964	15.9
95.08631	1.1
96.04494	2.5
96.08137	1.0
97.02898	1.8
97.06593	0.7
98.06061	2.4
99.04443	0.7
105.07037	2.3
106.02947	1.1
106.04143	0.6
106.06603	0.9
107.07341	0.6
107.08610	0.7
108.04433	1.0
108.08133	2.9
109.02882	13.6
109.10139	1.0
110.06049	2.8
112.07609	2.6
115.05430	0.7
116.98621	1.0
117.05738	0.7
117.06987	1.0
118.06533	0.9
119.08612	1.9
120.08069	1.0
121.08871	1.4
122.06023	17.8
122.09688	4.1
122.10439	0.8
124.03979	5.3
124.07583	3.2
126.05498	1.4
126.80137	0.6
127.03926	1.1
128.06206	1.3
129.07016	3.7
130.06528	1.2
131.07358	4.5
131.08585	2.3
132.08153	0.8
133.10150	0.9
134.05991	0.7
134.99667	0.8
136.07550	1.4
136.11244	2.1
139.07552	1.0
140.07062	30.2
141.06993	1.4
144.05699	1.3
146.09659	4.2
147.08040	0.9
147.11693	0.9
149.08365	1.1
150.09122	5.9
152.07065	63.4
153.07292	0.9
157.06519	1.6
159.06885	1.4
159.08006	4.2
161.09592	1.0
162.09175	0.6
164.07062	3.5
164.10707	8.6
165.09103	0.8
174.06813	0.8
174.09154	5.7
174.13460	0.6
176.07103	2.2
177.00670	1.0
178.08643	11.6
187.07564	2.1
187.56407	1.0
188.06996	0.6
189.09111	1.5
190.08549	0.8
192.10187	34.1
193.10524	0.9
199.07578	0.8
202.08633	7.8
203.07115	0.8
204.07887	1.6
206.08081	4.7
216.07838	0.8
220.09686	47.4
221.10042	1.1
230.08168	2.1
231.10139	1.1
234.75760	0.7
248.09181	100.0
248.16307	2.8
249.11324	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	247.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50359	0.4
58.06592	1.0
60.08163	4.0
63.06797	0.4
63.90046	0.5
69.20033	0.4
70.19631	2.0
78.27632	0.4
98.18220	0.4
104.10744	100.0
105.11107	1.0
121.01689	0.6
187.02753	0.6
223.21368	0.5
229.03278	0.9
247.04250	2.9
247.07983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Plicatin B
Peak:m/z	Relative Intensity
55.01866	0.4
55.05515	0.3
56.96561	1.1
65.03934	2.7
67.01853	0.5
67.05496	0.5
68.99780	0.4
69.03424	1.0
69.07056	0.4
69.44691	1.6
70.06644	0.2
79.05495	1.2
81.03436	0.2
81.07054	0.4
83.01341	0.5
83.04990	0.2
91.05473	2.2
92.02584	0.3
92.06268	0.5
93.03400	13.4
93.07054	0.9
95.01315	0.5
95.04984	0.5
95.08588	0.5
95.52126	0.2
96.86345	0.2
97.02901	0.2
98.97572	2.0
99.93371	0.2
103.05462	10.0
105.03393	0.2
105.07022	2.6
107.04937	0.7
107.08589	1.2
108.05731	0.5
109.06505	0.5
109.69556	0.2
115.05443	1.1
116.98610	1.8
117.06996	1.6
119.04920	0.8
119.08570	0.7
120.05749	1.5
121.06503	0.5
121.10130	0.3
124.07612	0.3
128.06224	0.6
129.06998	0.4
131.00174	0.3
131.04913	3.3
131.08530	0.4
133.06458	0.9
133.10103	0.4
134.98766	0.2
134.99641	1.1
135.04442	0.5
135.08022	2.0
137.05945	0.3
143.08549	0.3
145.06482	1.5
145.10132	0.3
147.04384	1.6
147.08026	2.5
148.05194	2.6
149.01221	0.6
149.05952	0.4
158.99670	0.6
159.04445	0.3
159.08055	0.4
159.11682	0.4
161.04622	0.4
161.05971	8.9
161.09587	0.4
162.06650	0.3
163.03883	0.4
163.07526	4.4
169.10144	0.3
171.08072	0.7
173.01180	0.4
173.05844	0.3
173.09601	0.3
173.13232	0.3
175.07510	0.4
176.04680	8.9
177.00711	1.1
177.05035	0.3
183.04422	0.2
186.06747	0.3
187.07521	0.4
187.11221	0.5
189.09114	2.4
190.09410	0.3
191.07018	100.0
192.07358	2.3
196.73926	0.2
201.12712	0.4
202.98570	0.2
203.06906	0.3
215.10670	3.1
215.12585	0.1
219.01685	0.3
229.04919	0.3
229.15866	0.2
245.00003	0.2
247.06129	2.5
247.13281	32.6
248.13667	0.9
260.46130	0.2
263.06021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	[2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
Peak:m/z	Relative Intensity
52.69801	0.6
53.85777	0.5
55.01890	1.2
55.05515	0.7
56.96573	0.6
57.03460	0.8
61.01155	2.9
65.03962	2.0
67.05517	1.1
68.99788	3.8
69.03462	1.9
71.58904	0.7
71.59297	0.7
72.08180	1.0
78.03823	0.7
79.05489	3.0
81.07051	6.5
83.01365	0.7
83.16261	0.5
85.02912	0.7
86.06095	2.3
87.02719	0.7
91.05515	2.2
93.03407	13.0
93.03956	0.9
93.07069	1.6
95.05012	0.9
95.08620	1.7
97.02922	1.7
99.08150	0.6
102.03786	1.1
103.05472	10.1
104.53327	0.6
105.03436	0.8
105.07039	3.2
107.04981	1.7
107.08621	2.1
108.04479	1.1
109.06519	0.5
109.10167	0.9
111.00836	2.1
115.05486	0.9
115.08729	0.8
117.03393	0.7
117.07008	2.7
119.04942	0.8
119.08581	0.9
120.04803	0.7
120.05701	1.3
121.06489	0.6
121.10165	1.4
123.04433	0.6
128.06151	0.7
129.07010	1.6
131.04932	3.2
131.06409	0.5
131.08585	1.9
133.06522	1.1
133.10191	0.7
135.04475	0.9
135.08060	3.0
135.11740	0.5
141.07005	0.7
142.55522	0.5
143.08615	0.7
144.05779	0.6
145.06459	2.8
145.10175	1.0
147.04440	1.2
147.11664	0.7
148.05177	2.8
149.06042	1.1
149.07474	2.0
155.04950	1.6
158.09970	0.6
159.08354	3.6
159.11714	1.1
161.05983	9.1
163.03877	2.8
163.07529	5.1
173.06007	1.8
175.07503	0.8
176.04692	8.2
183.04407	1.4
187.03833	0.9
187.11143	1.0
191.07027	100.0
192.07391	2.5
201.05490	3.7
201.12732	0.7
202.05821	0.6
215.10674	3.2
219.06456	1.1
225.90494	0.6
229.05014	4.3
229.13644	2.2
229.15681	0.5
247.06041	19.5
247.09373	1.0
247.09886	1.0
247.13245	34.3
247.17163	1.6
247.20421	0.8
248.06419	1.2
248.13611	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	[2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
Peak:m/z	Relative Intensity
53.03958	0.3
55.01881	0.6
65.03932	2.5
67.01880	0.5
67.05514	0.8
68.99783	0.7
69.03436	0.9
69.07075	0.6
70.52393	0.9
70.52740	0.3
79.05508	1.1
81.07065	1.2
83.01344	0.5
83.05048	0.3
91.05476	2.2
93.03407	13.3
93.07037	0.9
95.01311	0.3
95.04996	0.7
95.08609	1.1
97.02888	0.5
99.10055	0.3
103.05468	10.2
105.07009	2.2
107.04954	0.8
107.08610	1.4
108.05758	0.6
108.41245	0.3
109.06529	0.4
109.10155	0.5
111.00784	0.4
115.05457	1.0
117.07026	2.0
119.04954	0.4
119.08576	1.2
120.05714	1.5
121.02852	0.3
121.06472	0.7
121.10123	0.5
123.04420	0.3
125.12850	0.3
128.06248	0.4
131.04929	3.3
131.08574	0.8
133.06479	1.0
133.10110	0.6
135.04436	0.6
135.08064	2.1
137.05971	0.6
145.06485	1.4
145.10136	0.6
147.04439	0.4
148.05197	2.3
155.04929	0.4
159.08057	0.6
159.11707	0.6
161.05977	8.4
161.07251	0.5
163.02696	0.3
163.03961	0.9
163.07544	4.1
173.05943	0.4
173.09642	0.4
175.07547	0.6
176.04686	9.0
177.05339	0.4
187.07611	0.6
187.11096	0.5
191.07028	100.0
192.07370	2.5
201.05418	1.4
201.12741	0.5
202.12305	0.3
205.08464	0.3
211.14740	0.4
215.10652	2.9
229.04877	1.1
229.12242	0.6
230.11610	0.5
247.05978	4.9
247.13280	30.8
247.24135	0.4
248.13687	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	247.1329
Annotation	Plicatin B
Peak:m/z	Relative Intensity
51.53566	0.2
53.03933	0.3
55.01870	0.4
55.05500	0.4
56.96536	0.2
65.03941	2.4
67.01863	0.5
67.05490	0.6
68.99776	0.3
69.03416	0.6
69.07051	0.3
70.14032	1.1
71.05033	0.2
79.05484	1.1
79.47464	0.2
81.07039	0.8
83.01310	0.3
83.04942	0.3
83.08598	0.2
84.15730	0.2
91.05471	1.5
93.03405	14.0
93.07043	1.1
95.01308	0.4
95.04955	0.3
95.08597	0.7
103.04799	0.5
103.05468	9.1
105.03431	0.3
105.07025	1.8
107.04947	0.7
107.08590	0.8
108.05724	0.8
109.02779	0.2
109.06516	0.5
115.05456	0.7
117.07030	1.8
119.04936	0.4
119.08569	0.5
120.05722	1.6
121.06465	0.4
121.10123	0.3
129.06999	0.4
131.04932	2.7
131.08582	0.4
133.06494	0.9
133.10036	0.3
135.08034	2.2
135.11633	0.3
144.76347	0.2
145.06485	1.2
145.10106	0.5
147.04404	0.6
148.05196	2.6
155.08479	0.2
157.40269	0.2
159.08051	0.6
161.05980	8.1
162.06352	0.3
163.03787	0.3
163.07533	3.9
173.06017	0.5
173.09612	1.0
173.13277	0.4
175.07553	0.3
176.04689	9.2
177.05283	0.3
180.80263	0.3
186.04327	0.2
187.07466	0.4
187.11160	0.3
191.07024	100.0
192.07356	2.2
206.01176	0.2
215.10655	3.1
229.04868	0.4
229.19525	0.3
247.06189	1.3
247.13286	35.3
247.20313	0.5
248.13690	1.1
249.28421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Loxoprofen
Peak:m/z	Relative Intensity
53.03945	1.1
55.05500	1.3
65.03931	3.4
66.59782	0.6
67.01837	0.6
67.05492	1.4
67.33804	0.7
68.99779	1.8
69.03428	6.7
69.07056	0.7
72.21097	0.6
79.05470	2.8
81.07038	2.8
83.01333	0.7
83.04988	6.6
91.05480	5.3
93.03404	13.6
93.07040	3.4
95.04939	2.2
95.08607	1.0
97.02869	2.5
103.05466	9.3
105.07027	5.7
107.04935	1.9
107.08601	4.5
108.05735	0.7
109.02863	1.9
109.06503	3.0
109.10161	1.0
111.00866	0.7
111.04393	1.8
115.05450	1.9
117.06997	5.4
119.08572	5.0
120.05705	1.6
121.02864	1.2
121.06472	3.7
121.10127	1.4
128.06258	1.0
129.06950	2.5
131.04919	2.9
131.08556	4.5
133.06482	1.6
133.10115	1.8
135.04350	0.8
135.08049	10.0
141.06937	1.1
142.07690	1.1
143.08557	2.8
144.09322	2.1
145.06447	5.7
145.10121	3.9
147.08093	1.8
148.05141	2.1
149.05974	1.0
149.09610	5.0
150.10388	1.1
153.06966	1.1
155.04843	0.8
155.08522	1.5
157.10133	1.2
158.07231	0.7
158.10904	3.3
159.08061	4.5
159.11707	7.9
160.08815	1.0
161.05969	6.9
161.09708	0.9
163.03859	1.6
163.06285	1.0
163.07550	8.6
163.11220	1.8
168.09349	1.4
169.10162	0.8
170.10878	1.1
171.08040	2.9
172.08838	5.0
173.05986	1.2
173.09627	8.1
173.13264	6.6
175.07524	0.9
176.04697	6.6
183.11664	2.7
186.10368	6.2
187.07555	1.5
187.11172	25.0
191.07024	100.0
192.07347	2.4
196.08742	1.6
201.12756	12.0
205.12332	1.4
211.11153	3.1
215.10588	2.7
229.04959	1.9
229.12228	15.5
247.06024	9.6
247.13292	52.9
248.13663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Cacalolide
Peak:m/z	Relative Intensity
59.81325	0.4
65.03940	2.3
69.03427	0.7
69.07069	0.5
70.61633	0.9
79.05479	1.3
91.05497	1.3
92.02579	0.5
93.03410	14.0
93.07028	0.4
95.01296	0.6
96.46677	0.4
99.89503	0.4
103.05475	10.5
105.07014	1.1
108.05727	0.8
115.05432	0.7
117.07002	1.7
119.04919	0.6
120.05701	1.4
121.76428	0.4
131.04939	2.7
133.06511	1.2
135.08081	1.4
136.31064	0.4
136.59337	0.4
145.06447	0.7
147.04398	0.4
148.05203	2.5
161.05991	8.1
163.07555	4.0
164.71761	0.4
176.04689	9.7
191.07034	100.0
192.07359	2.1
215.10693	3.4
247.13307	36.3
248.13689	0.8
251.46716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03952	1.9
55.05495	4.7
55.95631	1.1
61.35635	1.0
64.35751	1.1
65.03936	4.4
67.05503	3.1
68.99794	1.2
69.03426	22.2
70.54388	3.8
79.05503	8.4
81.07050	7.9
83.04977	19.6
91.05486	16.5
93.03395	5.1
93.07058	10.4
95.04961	4.9
95.08582	1.3
97.02895	5.3
102.05529	4.7
105.07027	12.2
107.04945	2.9
107.08591	13.0
109.02889	8.6
109.06503	8.6
109.10151	2.9
111.04433	3.6
111.08073	1.7
115.05456	4.7
117.07014	10.9
119.08565	19.4
121.02869	3.3
121.06504	13.9
121.10138	4.7
122.07276	1.6
123.08053	2.4
128.06201	4.6
129.07008	5.9
131.08568	17.1
132.05719	2.8
133.06490	1.3
133.10088	8.1
135.08055	31.2
137.05937	2.9
137.09612	2.8
137.59119	1.1
139.03941	2.2
141.06992	2.1
142.07773	4.0
143.08562	11.9
144.09389	8.0
145.06490	14.6
145.10129	10.9
147.08031	4.4
148.05098	1.4
149.06042	1.3
149.09605	26.1
149.10745	2.0
150.10432	2.4
151.07494	2.2
151.11162	2.7
153.06999	2.5
153.09084	3.0
155.08528	5.7
157.06444	2.6
157.10135	3.6
158.07256	2.2
158.10918	11.8
159.08034	12.5
159.11684	23.4
160.08841	4.6
161.09581	4.9
163.07539	15.8
163.11180	1.7
165.09109	1.7
168.09329	4.7
169.10132	3.2
170.10898	5.2
171.08034	8.7
171.11462	1.1
172.08832	20.3
173.05951	1.7
173.09627	29.0
173.13254	30.2
173.14691	2.5
174.06851	1.2
177.58548	1.4
178.07767	1.5
181.06445	2.8
183.11681	13.2
185.09544	1.7
186.10400	24.3
187.07690	2.4
187.11183	100.0
188.11642	2.3
189.09058	1.6
191.07033	47.8
193.10081	2.7
196.08815	5.7
199.07552	2.6
201.12740	50.1
203.14365	1.6
205.12254	5.4
211.11168	10.6
214.09894	3.7
219.13707	6.7
229.12222	60.0
230.12572	2.2
247.06099	1.9
247.13290	80.0
248.13655	3.2
260.52948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	[2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
Peak:m/z	Relative Intensity
55.01866	0.5
55.05503	0.7
62.99976	0.3
65.03941	3.3
67.01868	1.0
67.05499	0.6
69.03424	0.9
69.07050	0.5
71.03789	0.7
71.04115	0.5
79.05502	2.4
80.06250	0.5
81.07058	1.2
83.01350	0.9
91.05477	2.3
92.06254	1.0
93.03405	18.9
93.07040	1.2
95.01305	0.5
95.04964	0.6
95.08598	1.0
97.02847	0.6
103.05463	12.7
104.05791	0.4
105.07048	2.5
107.04976	0.8
107.08607	1.5
108.05746	0.8
115.05438	1.8
115.99674	0.3
117.07019	2.6
117.29208	0.4
119.04914	0.7
119.08585	0.8
120.05736	2.1
121.06482	0.6
121.10198	0.4
129.07039	0.4
131.04912	4.6
131.08589	0.7
133.06483	1.4
135.08064	2.7
145.06458	2.7
147.04430	0.8
148.05203	3.7
159.04395	0.4
159.08086	0.4
161.05977	9.7
162.06432	0.4
163.07539	5.3
173.06003	0.5
176.04677	10.3
179.34354	0.4
187.11127	0.8
191.07028	100.0
192.07362	2.4
205.08679	0.5
215.10756	2.1
247.13290	24.3
247.20589	1.0
248.13631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	[2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
Peak:m/z	Relative Intensity
56.34926	0.1
58.37338	0.1
65.03937	2.2
65.35806	0.1
67.01865	0.4
69.03413	0.4
69.94934	0.8
74.95335	0.1
75.23655	0.1
79.05486	0.7
81.07057	0.2
83.01332	0.5
88.92416	0.1
91.05475	1.3
92.02593	0.3
92.06261	0.4
93.03401	14.0
93.07031	0.4
95.01305	0.3
95.04972	0.2
95.08615	0.2
102.04691	0.2
103.05462	9.9
105.03401	0.4
105.07024	1.6
107.04932	0.4
107.08589	0.7
108.05721	0.6
109.06512	0.3
115.05446	0.5
117.07008	1.2
119.04961	0.3
120.05717	1.5
121.06521	0.2
130.04112	0.2
131.04927	3.6
133.06493	0.9
135.08031	1.7
145.06502	1.2
147.04399	0.5
148.05186	2.8
149.05864	0.2
151.03958	0.2
159.04439	0.2
161.05980	8.1
163.07547	4.1
164.07883	0.2
168.78912	0.1
175.07556	0.3
176.04684	9.1
187.07480	0.3
191.07019	100.0
192.07358	2.7
192.88948	0.2
215.10670	2.5
239.65170	0.1
247.13287	31.1
248.13628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03924	2.8
55.01849	0.7
55.05513	4.6
56.50668	0.8
57.07069	1.2
58.40354	0.8
59.06075	0.7
60.04517	1.6
65.03938	4.3
67.05501	4.4
68.99783	1.2
69.03091	1.4
69.03429	20.6
69.03803	1.1
69.07056	1.3
70.54391	2.3
70.54733	1.0
77.03903	1.0
77.34370	0.7
79.05500	8.9
81.07069	7.3
83.04974	21.1
91.05479	19.0
93.03399	5.0
93.07039	12.3
95.04978	5.7
95.08602	1.5
97.02884	8.2
97.06518	1.1
102.05540	6.9
103.05483	1.7
105.07032	14.4
107.04939	3.1
107.08596	16.5
109.02880	9.1
109.06513	9.3
109.10142	2.2
111.04444	4.8
111.08092	1.7
115.05428	4.2
117.07015	13.2
119.04885	0.9
119.08572	16.3
121.02848	3.0
121.06485	15.1
121.10172	5.2
123.08055	2.9
125.05997	1.4
125.09639	1.1
127.07510	0.9
128.06210	3.6
129.06996	7.8
130.07750	2.1
131.08565	17.2
132.05675	3.8
133.06477	2.4
133.10123	7.8
135.04343	1.1
135.08049	30.4
135.11740	0.9
137.05972	2.9
137.09634	4.1
139.03926	1.9
141.06987	2.2
142.07767	2.9
143.08557	11.2
144.05652	1.4
144.09349	8.6
145.06467	13.2
145.10120	11.5
146.07207	1.8
147.08044	5.6
149.05910	1.6
149.09616	23.4
150.10333	3.4
151.07623	1.0
151.11159	3.5
153.06970	2.6
153.09062	2.2
154.07753	1.5
155.08545	6.3
157.06509	1.4
157.10098	3.3
158.07248	3.4
158.10895	9.3
159.08052	12.3
159.11685	27.3
160.08846	4.7
161.06030	1.1
161.09581	4.7
163.07541	19.1
163.11240	3.7
165.09087	1.6
167.08549	1.7
168.09358	6.0
169.10133	3.8
170.10928	3.9
171.08054	10.3
172.07442	1.5
172.08841	20.6
173.06021	0.9
173.09627	30.8
173.13258	27.2
173.14493	0.6
174.09987	0.9
174.13600	1.2
175.07558	1.4
175.14751	0.8
176.14232	1.1
177.09105	1.0
177.12790	1.1
181.06480	2.4
183.11679	9.4
185.09610	2.2
185.13295	1.7
186.10405	23.4
187.07597	2.7
187.11171	100.0
188.11563	2.9
189.09128	2.3
191.07011	44.7
192.07381	0.9
193.10162	1.4
195.07996	0.8
196.08821	6.8
199.07523	2.6
201.12737	49.7
202.13142	1.2
203.14357	2.1
205.12233	3.9
211.11211	9.8
214.09862	3.0
219.13780	5.5
228.02838	0.8
229.12222	59.1
230.12566	1.9
247.06030	3.2
247.13289	74.9
248.13567	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	247.06
Annotation	hispidin
Peak:m/z	Relative Intensity
53.03934	0.8
55.01872	4.3
55.70118	0.5
57.07066	1.7
61.98350	0.6
65.03932	0.9
67.01878	1.4
67.05499	0.9
68.99791	12.0
69.03426	2.2
69.07047	0.6
69.63403	1.8
69.63817	2.5
70.06590	1.1
79.05483	2.0
81.03427	1.7
81.07038	1.7
83.04968	1.4
85.02913	1.7
89.03915	1.0
91.05483	3.2
93.07055	1.2
95.04963	2.1
95.08614	1.4
96.08135	1.0
97.02872	1.1
97.08463	0.7
103.05466	1.9
105.07008	4.0
107.04966	2.8
107.08598	1.8
108.31339	0.6
109.02901	1.2
109.06532	1.7
111.00798	8.1
111.04457	1.6
115.05468	3.4
117.03404	0.8
117.07004	3.9
117.67887	0.6
119.04921	0.8
119.08590	1.6
121.02869	1.8
121.06512	1.5
123.04439	2.3
123.08089	1.8
124.07603	3.2
125.07965	4.0
126.35036	0.6
128.06242	1.1
129.07021	0.9
131.04948	3.2
131.08578	1.8
133.06432	1.3
133.10107	0.6
135.04428	4.5
135.08054	1.9
137.02338	3.6
137.03310	0.6
137.05977	0.8
139.03885	0.8
141.06953	0.8
142.07802	1.0
143.04968	1.0
143.08560	0.7
143.96465	0.6
145.02795	1.6
145.06519	6.5
145.10153	0.8
146.06010	1.4
147.04428	1.2
147.08101	0.9
149.05983	1.2
155.04936	6.6
155.06062	1.2
155.08601	0.7
156.09378	0.7
157.06557	0.7
157.10094	1.1
158.06023	1.3
158.07253	0.7
159.04399	1.8
159.08043	1.2
159.11687	1.1
161.05995	1.9
161.09679	0.7
163.03891	12.1
165.09190	1.0
170.11771	1.9
171.08037	0.7
171.12090	4.3
172.08893	1.0
173.05969	9.5
173.07312	1.0
173.13290	0.6
175.08696	1.6
175.11174	0.7
176.04692	0.8
177.05545	2.2
183.04349	4.3
184.05205	0.9
187.03870	3.2
187.07497	0.9
187.11217	1.4
191.07065	2.7
200.04706	1.2
201.05255	14.7
201.12756	1.5
203.10753	0.6
205.04926	1.1
211.11183	0.7
217.12230	0.6
219.06508	2.5
224.05823	0.6
228.04041	0.9
229.04964	24.1
229.12331	1.5
247.06029	100.0
247.13373	2.5
248.06447	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
55.62760	1.3
55.69593	1.5
56.96564	23.3
57.03440	2.0
58.06590	1.4
60.08142	5.8
61.23628	1.4
63.92972	1.3
67.60489	1.4
68.99278	1.5
70.06580	2.3
70.98138	1.9
71.57423	3.2
72.08157	19.6
84.04507	10.2
84.45936	1.6
84.96030	1.5
85.02889	2.6
86.09695	4.1
97.02849	2.1
98.97585	4.2
100.07596	2.8
103.00640	2.2
104.10744	100.0
107.00166	1.8
116.98654	2.7
118.08652	7.6
119.01917	3.3
121.01630	4.3
127.03842	1.5
128.98611	2.1
130.04974	2.5
133.01637	1.8
134.99615	1.9
144.98105	3.0
146.99660	2.4
147.03171	1.6
148.97595	1.7
162.99144	6.0
163.02722	2.3
181.00209	3.6
184.09669	3.5
187.02609	3.3
199.02736	2.3
205.00160	4.1
223.01280	14.7
229.03210	26.6
247.04233	76.4
247.13365	1.8
255.31445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29282	1.1
70.97586	2.5
70.97925	1.4
72.08155	7.0
77.68166	1.2
78.12289	1.4
78.24679	1.3
84.04463	1.7
101.44852	1.4
104.10738	2.2
118.08665	1.9
125.02378	1.3
130.05083	1.5
176.29906	1.2
187.02190	2.5
229.03191	37.6
229.05399	2.8
244.16426	1.2
247.04253	100.0
256.09027	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05499	1.2
56.96562	0.3
68.05019	0.7
71.10548	0.6
79.05492	6.2
80.05010	1.0
81.05796	5.7
81.07049	5.0
82.06557	0.4
84.79759	0.3
85.02907	0.3
94.06568	2.1
95.04944	0.4
96.04501	0.5
96.08129	20.0
98.97566	0.4
106.06552	3.3
107.04975	0.3
123.04469	0.5
124.07589	100.0
124.86655	0.3
125.07944	1.5
200.07375	2.0
204.08466	0.4
228.12241	0.4
246.05051	1.8
246.07741	2.0
247.06088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.124
Annotation	4-Acetamidoantipyrine
Peak:m/z	Relative Intensity
54.64479	0.1
55.02993	0.2
55.05279	0.1
55.05507	3.3
56.05033	53.4
56.96568	0.4
57.05367	0.2
57.07072	0.6
62.95876	0.1
67.05505	1.1
69.03417	0.1
69.05815	0.2
69.99300	0.1
70.06585	0.1
71.59422	0.1
72.08157	0.1
74.86864	0.1
79.05493	0.9
82.06580	0.8
84.08139	24.6
85.04041	0.1
85.08469	0.2
87.01949	0.2
87.87267	0.1
91.05461	0.1
93.07029	0.1
94.66124	0.1
95.04966	0.4
98.06065	0.4
101.23164	0.1
105.06963	0.1
106.06551	8.5
115.08673	0.1
118.98272	0.1
123.04449	0.3
127.08672	100.0
128.09030	1.2
137.03423	0.2
141.06583	1.1
145.09952	0.1
147.04443	0.2
156.05826	0.1
159.08076	0.1
163.03957	0.1
168.08945	0.2
168.11368	0.3
186.09990	0.1
191.03375	0.2
196.08598	0.1
197.01213	0.4
199.07112	0.1
208.74170	0.1
209.01138	0.1
214.09473	0.6
215.02296	0.1
215.07185	0.1
217.13309	0.1
227.02316	0.1
230.08917	0.1
246.05209	0.5
246.12357	18.3
247.06017	0.5
247.12813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05500	1.0
56.05024	0.3
56.96561	0.8
64.62112	0.2
68.99791	0.3
69.03401	0.3
69.07053	0.5
71.17234	0.4
71.17543	0.4
72.75434	0.3
79.05489	6.8
79.83949	0.2
80.05009	1.0
80.88666	0.3
81.05795	5.5
81.07050	5.4
82.06557	0.4
84.08134	0.3
85.02892	0.6
91.05474	0.4
94.06566	2.3
95.04943	0.5
96.04494	0.4
96.08123	21.9
97.08465	0.4
103.05476	0.3
106.06562	3.0
107.04948	0.6
109.02871	0.3
109.05262	0.4
110.20232	0.3
115.05393	0.3
116.98619	0.5
121.02872	0.3
123.04439	0.5
123.27175	0.3
124.07580	100.0
125.07919	2.0
134.99666	0.3
146.05925	0.3
156.08054	0.5
172.04973	0.4
200.07361	1.6
201.05566	0.3
246.04843	3.8
246.07970	2.0
247.06128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	Methoxyaucuparin
Peak:m/z	Relative Intensity
53.03937	1.2
55.01855	2.8
55.05493	2.1
57.78294	0.9
59.05000	5.0
65.03925	3.2
67.05498	2.4
69.07055	1.7
69.35881	8.4
72.01196	0.8
79.05471	1.6
81.07053	1.9
83.08620	0.8
91.05483	12.5
93.03404	5.0
93.07045	19.4
95.04969	3.6
95.08560	1.1
97.10165	1.2
98.97583	1.2
103.05500	1.7
105.03382	1.0
105.07027	3.0
106.18155	0.8
107.08589	1.3
109.06522	1.7
115.05448	4.1
116.98603	1.4
117.07008	1.9
119.01302	2.6
119.04933	6.8
119.08577	1.5
121.06499	22.2
128.06201	5.6
129.07002	11.1
131.04927	1.4
131.08569	1.8
132.05751	1.0
133.06429	0.9
137.27841	0.9
141.07018	8.1
142.03253	1.2
142.07777	22.7
143.04901	1.0
143.08582	5.5
144.05740	1.4
145.06505	3.5
145.10086	1.2
147.03259	1.0
147.04402	16.3
147.07996	1.7
151.03943	1.0
152.06201	16.0
153.06996	3.4
154.07756	4.9
155.08482	1.4
157.06445	2.8
157.10115	13.1
159.08066	3.4
161.05942	1.9
165.07002	7.6
166.07808	2.6
167.08568	26.9
169.06477	6.7
169.10100	1.1
170.07269	15.6
171.04449	1.4
171.08031	5.9
173.05977	1.5
175.07588	1.3
177.05524	1.0
181.06360	2.0
183.08051	1.7
184.08807	1.0
185.06064	1.6
185.09618	38.3
187.07574	4.1
189.05547	1.5
189.11111	1.1
191.07030	1.2
195.08038	25.3
196.08594	1.0
197.05965	2.5
198.06772	21.9
199.07475	6.2
201.09135	2.2
202.09990	1.4
212.08380	2.4
213.09099	79.0
214.06267	2.4
214.09685	4.2
215.07021	30.6
215.10637	3.4
227.06953	4.0
227.10652	3.8
229.08589	9.7
230.09380	28.6
245.04652	5.5
245.07965	3.1
245.11732	100.0
246.12105	3.1
249.86943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	Methoxyaucuparin
Peak:m/z	Relative Intensity
53.03938	0.7
55.01860	1.3
55.05503	2.4
56.96549	1.4
59.05002	2.5
62.63518	0.4
65.03930	1.7
66.83974	0.5
67.05490	1.6
69.03431	0.6
69.07053	1.3
69.57826	3.8
73.98443	0.5
79.05476	1.6
81.07042	1.5
83.04969	0.5
91.05478	6.3
93.03391	2.4
93.06473	0.9
93.07041	11.9
95.04966	2.5
95.08598	1.2
97.10125	0.7
98.97523	0.9
103.05457	1.5
105.07014	1.5
107.04939	0.9
107.08607	0.9
115.05460	1.7
116.98598	0.7
117.07034	1.4
119.01311	1.1
119.04947	4.3
119.08574	1.2
121.06499	15.2
123.04440	1.3
123.08076	0.5
125.09605	0.9
128.06216	3.5
129.06995	6.6
131.04906	0.9
131.08560	0.9
133.06509	1.1
133.10085	0.6
134.99626	1.2
141.06989	3.9
142.03180	1.3
142.07782	13.8
143.08557	2.9
144.05750	1.0
145.06480	1.5
147.04410	8.7
147.08040	1.0
149.01228	0.6
149.05942	0.9
151.03882	1.6
152.06172	6.2
153.06973	1.5
154.07748	1.4
155.08524	0.7
157.06497	2.2
157.08926	0.7
157.10129	7.7
159.07938	1.2
161.05962	1.2
165.05757	0.7
165.06989	3.3
166.07809	1.5
167.08557	16.2
169.06439	3.3
169.07715	0.7
170.07283	8.3
171.04416	0.8
171.08035	3.3
171.10382	0.6
181.06453	1.6
183.08031	1.1
184.08772	1.2
185.09613	21.3
185.11287	1.2
187.07562	2.2
189.05450	1.0
189.09122	0.6
189.11143	0.7
195.08051	14.0
197.05989	1.6
197.09616	1.6
198.06760	12.0
199.07521	1.8
201.05452	0.6
201.09061	1.2
202.09795	0.9
212.08327	1.2
213.09097	44.9
214.06265	2.7
214.09662	3.0
215.07018	19.3
215.10667	1.7
216.07529	0.6
217.08528	1.3
227.10565	2.8
229.08575	7.3
230.09360	18.6
245.04572	6.2
245.11723	100.0
246.12140	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	Methoxyaucuparin
Peak:m/z	Relative Intensity
53.03937	1.0
55.01874	1.9
55.05513	6.5
57.03435	1.8
59.05001	5.1
65.03934	3.1
67.05495	2.8
69.07039	1.2
69.82710	2.0
69.83124	3.3
71.64776	0.9
74.25577	0.8
77.11082	0.8
79.05482	3.7
81.07053	2.2
83.05000	1.6
83.08612	3.9
91.05478	11.0
93.03412	4.6
93.07047	18.1
94.72168	0.9
95.04957	4.2
97.10176	8.6
103.05454	1.2
105.07034	2.4
107.08572	2.4
108.31432	1.2
109.06539	1.1
115.05467	2.9
117.07048	2.1
119.01293	2.2
119.04948	5.4
119.08588	1.8
121.05673	1.3
121.06509	18.2
124.73489	0.9
125.09633	7.6
128.06221	6.6
129.06143	1.2
129.07022	10.3
131.04919	1.9
131.08553	1.1
133.06488	1.0
133.10205	1.3
135.08020	1.2
141.07004	7.8
142.03151	1.1
142.07787	20.7
143.04919	1.0
143.08624	4.5
144.05742	1.1
145.06476	2.9
145.10068	1.1
147.04410	14.7
147.08102	1.1
151.04002	1.1
152.06184	12.2
153.07007	2.5
154.07796	1.9
156.09386	1.0
157.06522	2.3
157.10136	11.1
159.08078	3.0
165.07008	6.2
166.07768	2.9
167.08566	24.4
169.06496	5.3
169.10223	1.3
170.07268	13.9
171.08031	3.9
175.07538	1.4
177.05417	1.1
181.06485	2.2
183.08025	2.0
185.06046	1.6
185.09618	36.9
187.03853	1.2
187.07468	4.3
189.11250	4.4
195.08028	26.2
196.08905	1.0
197.05965	4.1
197.09680	2.0
198.06760	20.0
199.07507	6.2
201.05557	1.1
201.09113	2.8
202.09807	1.0
212.08350	1.6
213.09105	78.0
214.06285	2.6
214.09856	5.1
215.07034	27.4
215.10594	2.5
223.66447	1.1
227.10648	4.8
229.08586	11.7
230.09373	25.3
231.09586	1.0
245.04556	3.1
245.11731	100.0
246.12080	3.5
246.14606	1.1
246.24358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	Methoxyaucuparin
Peak:m/z	Relative Intensity
53.03948	1.5
55.01861	1.5
55.05510	4.8
57.03421	0.9
59.04989	3.6
65.03922	2.2
67.05482	2.5
69.03419	1.0
69.07070	1.3
79.05491	3.4
81.07061	1.0
83.08605	2.1
83.68499	0.6
91.05486	11.0
93.03406	5.7
93.07043	16.4
95.04951	2.4
97.10169	3.9
103.05470	1.2
105.04482	0.7
105.07012	2.4
107.08571	2.2
109.06516	1.1
115.05456	2.6
117.07007	2.0
119.01324	1.0
119.04934	6.5
119.08559	1.1
121.06500	20.5
123.04387	0.8
125.09671	3.8
128.06226	4.0
129.07004	9.8
131.04883	0.8
131.08601	1.1
133.06537	0.8
141.06973	5.8
142.07774	22.1
143.08592	3.1
144.05710	1.7
145.06476	3.0
147.04410	15.2
147.08026	1.0
151.03903	0.9
152.06207	12.9
153.06992	1.7
154.07745	3.5
157.06468	3.1
157.10144	11.6
159.08080	2.0
161.06017	1.5
165.05696	1.1
165.06984	5.4
166.07751	2.9
167.08571	22.5
169.06459	5.1
169.10146	1.3
170.07256	14.3
171.04346	0.9
171.08063	4.5
173.06062	0.8
175.07472	1.1
177.05482	1.1
178.06052	0.7
181.06503	2.1
183.08130	1.1
185.09610	36.3
186.06787	1.2
187.03873	0.9
187.07631	4.2
189.11217	3.5
195.08044	24.9
196.08723	1.1
197.05983	2.6
197.09593	1.3
198.06764	18.3
199.07541	4.7
201.09026	0.9
202.09863	0.8
212.08311	1.7
213.09100	78.3
214.06282	2.2
214.09735	5.9
215.07019	26.2
215.10658	2.7
216.07428	0.8
227.10622	4.2
229.08607	9.3
230.07086	1.4
230.09363	22.8
245.04695	3.2
245.11729	100.0
246.12122	2.0
246.24261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1174
Annotation	Methoxyaucuparin
Peak:m/z	Relative Intensity
53.03928	2.0
55.01867	2.2
55.05509	1.4
56.96556	1.4
59.04986	4.3
65.03928	3.0
67.05499	1.3
69.67648	5.7
71.43745	0.9
79.05476	2.8
80.05000	1.4
81.03434	1.1
81.07041	1.5
91.05489	8.9
93.03381	3.1
93.07038	15.7
95.04962	3.1
98.97605	1.4
100.93153	0.9
103.05464	1.3
105.03373	1.3
105.07009	2.4
115.05441	2.7
116.34209	1.0
116.98602	1.5
117.07015	1.8
119.01294	1.7
119.04948	6.1
119.08543	1.5
121.06494	16.9
122.06022	3.2
123.04464	2.4
124.07555	2.2
126.05473	1.5
128.06212	4.3
129.07004	8.9
131.08521	1.1
134.99635	1.0
141.06958	6.0
142.03169	2.7
142.07768	17.6
143.08553	4.3
145.06453	3.1
145.10124	1.0
147.04405	12.6
151.03880	2.2
152.06201	11.4
153.06958	1.6
154.07773	2.4
155.08553	1.7
157.06500	2.8
157.10104	12.1
159.08070	2.3
161.06012	1.4
165.06966	4.6
166.07724	2.5
167.07104	1.2
167.08554	21.0
169.06512	5.6
170.07274	10.4
171.08084	4.9
173.06015	1.4
175.07620	1.7
181.06499	3.0
185.09607	30.6
186.06802	1.1
187.07573	2.5
189.05579	1.3
195.08058	20.8
197.06003	1.9
197.09654	1.7
198.06757	14.2
199.07512	4.0
201.09204	1.9
212.08318	1.9
213.09096	68.3
214.06248	2.6
214.09709	6.1
215.07019	23.0
215.10579	2.6
221.59714	1.2
227.10661	2.7
228.10181	1.1
229.08621	10.5
230.09367	25.4
231.09676	1.1
245.04527	9.4
245.11725	100.0
246.12173	1.8
246.14755	1.0
263.13800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Methoxyaucuparin
Peak:m/z	Relative Intensity
51.02356	0.7
55.01849	0.7
55.05508	1.4
56.96558	2.0
58.99773	0.7
59.04999	3.3
59.93115	0.7
62.35180	0.6
65.03930	2.9
67.05498	2.0
69.03442	0.7
69.07047	1.1
71.04050	1.9
77.59139	0.6
79.05487	2.1
81.03393	0.7
81.07050	2.9
83.04962	0.8
91.05479	9.5
93.03394	3.9
93.06475	1.0
93.07042	14.0
95.04980	3.5
95.08580	0.9
97.10169	0.9
98.97566	1.0
103.05495	1.1
103.88322	0.8
105.03397	0.8
105.07010	2.7
107.04982	1.2
107.08571	1.1
109.06517	1.2
115.05453	6.1
116.98653	1.1
117.07002	1.4
119.01269	0.8
119.04945	5.5
119.08552	1.3
121.06503	17.3
123.04414	1.8
125.09652	0.6
128.06219	4.5
129.07010	8.0
131.04927	1.3
131.08554	1.3
133.06497	1.7
133.10147	1.0
141.06999	5.4
142.03252	1.0
142.07784	19.5
143.04982	0.7
143.08560	4.1
144.05647	1.1
145.06505	2.3
147.04401	13.2
147.08002	1.5
149.01204	1.6
151.03870	2.5
152.06215	9.2
153.06931	1.6
154.07774	2.8
155.06050	0.7
155.08542	0.8
156.03607	1.8
157.06474	3.3
157.10121	11.5
159.04492	0.8
159.08040	1.9
161.05969	1.8
165.06982	5.9
166.07831	1.9
167.02237	0.9
167.08580	20.5
169.06491	5.7
170.07286	12.5
171.04379	1.0
171.08040	4.7
175.07520	1.9
177.05452	1.1
179.08551	0.9
181.06479	2.7
183.08107	1.0
184.08823	1.1
185.05989	1.5
185.09615	28.2
186.06721	0.7
187.03856	1.3
187.07558	4.8
189.05443	1.0
189.09169	1.2
195.08061	19.9
197.05984	3.2
197.09657	1.1
198.06760	16.7
199.07533	5.6
201.09166	1.3
202.09897	1.2
205.05327	0.7
212.08311	1.6
213.09109	64.9
214.06270	1.6
214.09746	4.1
215.07040	23.1
215.10614	2.6
216.07281	0.8
217.12204	0.9
227.10709	3.7
229.08571	8.1
230.09383	22.7
245.04567	8.7
245.11739	100.0
246.12012	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	245.1173
Annotation	Methoxyaucuparin
Peak:m/z	Relative Intensity
50.85312	0.7
53.03948	1.0
53.26250	0.7
55.01859	2.3
55.05499	2.4
56.96556	3.1
59.04998	4.4
64.70780	0.8
65.03923	2.8
67.05505	3.9
69.07054	1.7
70.19378	1.6
70.19794	2.4
79.05485	3.5
81.07043	1.6
83.04961	1.7
83.08642	0.9
85.06531	1.0
91.05482	10.9
93.03390	3.3
93.07042	15.2
95.04955	3.4
95.63422	0.7
96.04493	1.2
97.02861	1.0
97.06537	0.7
97.10175	0.8
98.97585	1.5
105.03381	1.1
105.07005	3.3
107.08588	1.8
108.32806	0.7
111.92961	0.8
114.43225	0.7
115.05472	3.8
116.06193	1.3
116.98659	1.6
117.06989	1.5
119.01289	2.4
119.04935	6.7
119.08572	2.3
121.05649	1.3
121.06502	18.5
123.04418	3.1
125.09599	1.0
128.06245	5.6
129.07011	8.5
131.04903	1.3
131.08556	1.2
132.05727	1.0
133.06516	1.6
133.10100	1.6
134.99672	1.2
141.06999	7.0
142.03271	1.8
142.07780	21.6
143.08554	4.5
144.05673	1.5
145.06461	3.9
145.10194	1.2
147.04417	12.8
147.08054	1.3
151.03902	3.1
152.06213	9.9
153.06905	1.0
154.07761	3.1
157.06520	4.0
157.10129	12.1
159.08017	2.4
159.11734	1.0
161.05974	2.6
165.07034	6.8
166.07788	3.6
167.08566	18.0
169.06487	6.0
169.10074	1.2
170.07275	11.2
171.04414	1.3
171.08099	4.2
173.05943	1.4
174.06717	0.9
175.07574	1.5
177.00705	1.0
181.06462	2.5
185.06052	2.0
185.09619	32.5
185.13234	1.3
186.10001	1.0
187.03914	1.0
187.07588	3.4
189.05583	1.2
195.08058	21.2
196.08649	1.0
197.05965	2.5
197.09630	1.2
198.06783	17.5
199.07532	5.0
201.09093	1.9
212.08328	1.7
213.09106	64.9
214.06223	2.6
214.09813	4.4
215.07036	25.4
215.10637	2.4
227.10684	4.3
227.14352	0.9
229.08572	10.0
230.09377	22.5
245.04503	13.4
245.11728	100.0
246.12057	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	245.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95899	0.5
55.05513	0.5
60.80246	0.5
68.99806	1.0
69.59106	4.1
78.44947	0.5
87.00816	1.6
88.62046	0.6
91.05482	1.2
93.07034	1.5
95.04973	0.5
98.20785	1.0
98.97592	0.5
105.07053	0.9
115.05443	4.5
117.05753	4.2
118.06528	2.9
121.06495	1.0
123.04501	0.6
129.07031	2.4
130.06529	13.5
132.08093	54.5
133.06477	0.5
133.08427	0.9
140.04942	0.9
142.06511	8.1
147.04460	1.1
151.03918	0.6
152.06216	0.6
154.06532	1.1
156.06894	1.0
156.08089	5.2
157.07617	9.1
157.08870	0.6
157.10068	0.7
158.06017	1.7
158.08383	6.4
159.09178	100.0
160.07590	9.9
160.09540	1.5
167.06056	5.1
167.08580	1.0
170.06012	3.3
171.06738	0.7
171.09221	0.9
172.07574	1.2
181.07671	2.4
182.05994	1.0
183.09201	1.3
184.07573	16.1
185.07104	49.3
185.09715	1.4
186.07439	1.4
195.07947	0.8
198.06851	0.8
199.08682	1.9
200.07054	6.9
200.08842	0.6
201.10237	12.7
209.07132	1.7
210.56035	0.5
213.09125	3.2
215.07028	0.9
227.08150	37.8
228.08415	0.8
230.09447	0.7
232.38734	0.5
245.04492	4.5
245.09227	17.0
245.11774	5.4
246.09315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05504	1.0
56.05012	0.3
56.96567	0.6
58.99571	0.4
67.05516	0.2
68.05018	0.7
69.07055	0.4
70.06587	0.4
70.83054	0.7
71.85094	0.2
76.02225	1.3
79.05492	5.3
80.05000	0.9
81.05795	4.8
81.07049	5.2
82.06589	0.4
83.04989	0.3
84.04507	1.4
85.02889	0.5
86.06062	0.6
94.06576	2.5
94.40952	0.3
95.04968	0.6
96.04494	1.3
96.08125	18.5
97.08459	0.3
98.97555	0.3
106.06554	3.0
107.04925	0.8
110.09662	0.4
111.04452	0.5
114.05536	0.4
116.98622	0.4
122.02742	1.2
122.05997	0.5
124.07583	100.0
125.07890	1.4
130.04994	1.6
139.03966	0.4
142.03223	0.4
142.05023	0.5
149.89366	0.3
153.03625	0.3
156.04774	10.7
161.02969	0.3
161.05960	0.3
171.04453	0.3
181.07874	0.4
184.09711	1.6
185.03795	0.9
192.06711	0.2
199.03896	0.3
199.05309	1.4
199.09001	7.1
201.12297	1.5
217.04887	0.3
217.88658	0.3
228.06898	0.9
245.04376	5.2
245.09598	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	245.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05503	0.9
56.96562	5.7
59.47388	0.6
63.61201	0.5
65.39500	0.5
67.05499	1.2
68.05026	0.7
68.99777	1.8
69.03417	1.2
69.07057	1.0
70.98126	1.9
73.02907	0.5
79.05506	0.8
80.05014	1.3
80.41273	0.5
81.07047	1.7
81.87394	0.5
83.04971	1.3
84.08149	1.0
85.02891	0.7
86.06050	0.8
86.09210	0.9
86.09704	11.2
88.42480	0.6
91.05488	3.0
93.07075	0.8
95.04959	0.8
95.08573	0.5
97.02872	0.7
97.06499	0.9
98.97564	3.1
100.03960	0.9
103.05461	1.0
105.07018	2.0
107.04950	1.3
107.08546	0.7
108.67306	0.5
109.02872	0.9
111.04455	0.5
114.03738	1.6
115.05445	2.5
115.15413	0.5
116.98631	3.5
117.05700	0.8
119.01834	0.5
119.04982	0.6
119.08616	1.0
121.02852	0.5
121.07561	0.5
123.04427	2.5
124.07594	0.8
128.06146	0.5
129.07002	2.0
130.06520	62.2
131.04951	1.1
131.06003	0.9
131.06876	1.0
132.04434	6.9
132.08084	8.5
132.10210	0.7
133.06476	1.4
134.99657	6.0
135.04433	0.9
139.03902	1.0
141.02231	0.7
141.07059	0.7
142.03221	7.0
142.06535	1.3
143.04909	1.3
146.05981	1.1
147.04373	1.3
151.03879	3.7
153.00719	1.3
155.04939	1.2
156.06793	1.2
156.08076	0.6
157.07607	100.0
158.06010	34.3
158.07486	1.0
158.08099	1.9
159.03284	2.4
159.06424	1.0
159.09172	21.1
160.07556	1.8
161.05966	2.9
163.45795	0.6
170.02710	1.6
171.03238	1.8
171.04466	3.0
171.07965	0.9
172.07542	0.7
175.03874	1.4
175.07478	1.0
175.08684	3.5
177.00705	0.9
177.05536	1.0
179.02266	0.7
181.07700	1.0
183.09213	0.8
184.07588	0.6
185.07155	9.3
185.13556	0.6
186.02177	1.3
186.05444	2.7
188.00145	3.8
189.04224	6.0
189.09122	1.1
199.01674	1.4
199.03893	2.5
199.08716	12.3
201.10258	5.7
203.08151	82.6
204.06607	1.2
204.08536	1.9
217.04974	1.0
217.09904	0.8
227.03439	0.7
227.08066	2.1
237.02692	0.6
245.04454	50.6
245.09462	12.2
245.11717	1.7
245.15475	1.6
246.04810	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.05274	1.0
55.05514	13.2
56.96568	0.9
57.03442	13.3
57.07068	2.4
58.05749	0.8
59.04988	1.2
60.80272	0.9
65.03921	1.9
67.05507	53.6
69.07053	2.8
69.37419	2.9
69.37840	6.3
69.62335	0.8
71.05000	7.5
73.06540	1.2
79.05492	9.4
81.03418	1.8
81.07056	100.0
83.04989	1.2
83.08633	4.3
85.06541	12.8
91.05477	11.6
93.07037	2.3
95.04967	1.1
95.08575	4.5
97.10155	1.4
105.07018	5.1
107.04987	1.0
107.08584	3.7
109.06486	1.2
109.10153	5.9
116.98629	0.9
117.06972	1.8
119.08591	1.1
121.00500	1.2
121.10131	1.2
121.50625	1.4
123.08099	1.0
123.11717	16.0
125.26012	0.9
128.06206	0.9
131.08582	1.5
133.10127	12.7
135.93488	0.9
141.06996	1.1
145.10130	1.5
149.02303	1.5
151.11206	6.9
159.11688	2.4
169.12265	2.5
186.02208	1.1
187.07484	1.3
187.13329	11.6
222.37340	1.0
243.06613	1.8
243.13890	1.3
243.15855	27.0
243.21091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0444
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
55.01855	0.4
55.05516	0.3
56.96555	0.4
57.07059	0.4
68.05029	0.2
68.99792	2.1
70.06575	0.7
70.38293	0.6
79.05501	0.5
81.05787	0.3
81.07063	0.3
83.04982	0.3
84.08126	0.2
86.06071	0.5
86.09708	1.6
87.08120	1.2
91.05474	0.9
93.07043	0.2
96.08133	0.4
103.05454	0.7
105.03397	0.3
105.07035	0.7
107.04920	0.3
111.04453	0.5
112.97806	0.2
115.05450	3.2
119.04917	0.3
121.02828	0.2
121.06499	0.3
123.04414	0.3
124.07597	3.3
125.02339	0.3
127.05364	0.2
129.07065	0.3
130.06528	1.9
131.04913	1.0
132.08110	1.7
133.06487	0.6
134.99634	0.4
135.08133	0.2
139.03954	0.4
142.03258	0.3
142.06535	0.5
143.04939	1.5
144.08122	0.5
145.06412	0.3
147.04390	2.7
149.05988	0.3
151.03891	0.4
153.07005	0.3
155.04875	1.8
157.06512	0.3
157.07623	1.0
158.06012	1.9
159.09178	2.9
161.05969	1.6
163.03943	0.4
170.05933	0.3
171.03058	0.4
171.04420	5.2
171.07890	0.2
172.04997	0.4
175.03908	1.8
176.04556	0.4
177.05409	0.7
181.07635	0.3
184.07587	0.4
185.07138	1.3
189.05486	2.0
199.03903	5.4
199.05692	0.4
199.08847	0.5
199.11096	0.2
200.04649	0.5
201.10162	0.5
203.03331	0.9
216.04175	0.7
217.05003	2.5
217.08440	0.3
227.01331	0.3
227.03333	1.3
227.08105	0.9
227.11797	0.2
244.03687	0.6
245.04448	100.0
246.04837	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	243.159
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
52.22206	0.5
53.03945	1.0
55.05509	13.9
56.96558	0.8
57.03433	13.5
57.07073	2.2
58.71205	0.5
59.05009	2.0
65.03944	0.9
67.05502	49.9
69.03425	0.8
69.07067	3.2
71.04990	7.4
71.59141	0.6
71.59503	0.7
72.65769	0.5
73.06565	0.9
74.76265	0.6
79.05486	10.4
81.07050	100.0
82.07410	0.9
83.04978	0.8
83.08613	3.3
85.06538	12.2
88.82239	0.6
91.05479	9.5
93.07030	2.3
95.04971	0.6
95.08604	5.2
97.10168	1.7
105.07014	5.0
107.04936	1.0
107.08585	3.9
109.02833	0.6
109.06492	0.7
109.10156	4.8
117.07016	0.8
119.04935	0.6
121.10125	1.5
123.11694	16.4
125.09648	0.5
127.07542	0.6
132.66957	0.5
133.10129	10.1
135.08109	0.5
141.06950	1.1
143.08566	0.7
145.06476	1.0
145.10118	1.0
147.17221	0.7
148.56306	0.6
149.02362	0.9
151.11165	6.5
159.11638	0.9
169.10115	0.6
169.12206	1.9
173.05907	0.9
186.02135	0.9
187.13290	9.3
187.14880	0.4
197.06010	1.0
201.05489	1.2
215.06982	1.5
243.06497	1.9
243.10246	1.6
243.13846	1.0
243.15840	23.8
243.21051	1.4
244.16493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0653
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
54.94017	0.3
55.01874	1.0
55.05505	0.5
56.96559	1.4
65.03939	3.5
67.05505	0.9
68.99791	5.7
69.03417	0.7
71.04982	0.5
71.32656	0.5
75.51616	0.4
79.05509	0.8
81.07069	0.8
85.02914	0.5
91.01719	0.4
91.05477	4.4
92.05820	0.8
93.07067	0.4
95.04957	0.9
95.08591	0.7
97.02914	0.4
97.06518	0.6
98.97575	0.9
99.04464	0.8
103.05486	0.6
105.07047	1.0
107.04962	7.7
107.08602	0.3
109.06514	1.2
109.10187	0.8
111.04447	0.8
115.05444	1.7
116.38293	0.3
116.98604	0.6
117.07036	1.3
118.46773	0.3
119.04987	0.7
119.08569	1.0
121.02867	23.3
121.10137	0.6
127.43726	0.4
128.06248	0.5
129.07028	0.5
131.04941	2.0
131.08572	1.9
134.12885	0.4
134.99652	0.8
141.05370	0.4
141.06990	8.5
144.05704	1.5
145.06493	2.2
145.10204	0.4
147.04407	4.2
147.08034	3.1
147.11723	0.5
149.02341	100.0
149.09619	3.9
150.02678	1.0
155.04892	0.5
156.53972	0.3
157.06465	0.4
158.71217	0.4
159.06934	0.3
159.08066	2.0
167.03409	1.2
168.05719	0.7
169.05037	0.8
169.06479	10.0
169.07794	0.8
172.08723	0.5
173.06021	2.1
177.00720	0.4
181.06371	0.4
184.56056	0.4
185.05969	0.7
187.07558	2.3
197.05977	11.7
198.06714	0.9
200.04639	0.5
213.05481	0.9
214.45369	0.4
215.07022	96.7
216.07407	2.0
225.05417	0.5
225.14848	1.9
226.06235	0.4
243.06525	39.5
243.17685	0.7
244.06851	1.3
248.98482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0651
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01873	1.2
65.03934	2.6
68.99781	4.6
69.03420	0.6
70.15857	2.0
71.04980	0.6
73.51577	0.4
73.76016	0.4
76.38520	0.4
78.39534	0.4
79.05481	0.8
91.05460	1.8
93.07072	0.5
95.04959	0.4
97.02893	0.7
98.97588	1.2
105.07018	1.2
107.04953	6.9
109.06514	0.7
111.04420	0.5
115.05490	1.6
116.98666	0.6
117.06995	1.6
119.08630	0.7
121.02863	21.4
121.10176	0.6
123.99151	0.5
127.03794	0.5
127.34627	0.5
129.07002	0.6
131.04926	1.8
131.08575	1.2
141.06989	8.6
144.05638	1.2
145.06474	2.6
147.04393	3.3
147.08012	3.0
149.02335	98.7
149.09612	1.8
150.02699	1.2
157.06505	0.7
159.08081	1.6
167.03395	1.6
167.11903	0.5
169.06473	10.5
169.07797	0.7
173.05992	1.7
185.05934	1.0
187.07602	2.8
194.02240	0.5
197.05966	11.9
198.06535	0.6
213.05502	0.8
215.07019	100.0
216.07396	2.3
225.14789	0.9
243.06520	43.9
243.14891	1.1
244.06862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01874	6.5
55.05500	4.0
56.05027	4.7
56.96550	2.1
57.03413	2.2
58.28704	1.3
62.83517	1.3
65.03957	1.2
67.05528	1.8
69.03430	2.7
69.07062	1.7
70.06589	5.2
71.04993	92.6
71.58140	1.2
71.58538	1.5
78.47381	1.2
79.05492	1.7
80.05009	21.1
81.03409	3.6
81.05798	2.6
81.07037	1.5
82.06580	28.5
84.04493	4.6
84.08148	1.8
91.05471	2.0
93.35365	1.3
94.06548	1.8
96.04517	1.7
98.06038	11.9
98.97590	1.4
99.04456	63.5
100.03973	4.1
106.06580	1.5
108.04478	29.1
108.08130	1.4
115.35734	1.2
117.05477	7.0
117.36155	1.2
120.08092	2.9
122.06107	1.5
124.03958	5.0
126.05513	72.8
130.06529	1.8
134.05980	1.6
140.07054	1.5
149.13217	1.3
152.07056	4.7
155.07034	8.6
157.07578	3.1
164.07101	2.3
178.08636	1.5
180.10165	3.1
196.09688	2.5
198.11270	8.5
206.08122	22.7
219.01675	1.6
224.09172	64.0
237.02856	1.9
242.10237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
53.58249	5.9
55.01873	18.7
56.05051	5.9
57.03437	12.7
58.06591	14.2
59.06931	8.0
69.03436	10.3
70.94505	17.9
72.93784	11.7
73.02901	7.3
76.40490	5.3
82.02959	7.7
83.06110	9.8
84.04490	11.5
84.08138	7.2
85.02874	7.3
91.05477	9.0
94.06557	9.0
95.08588	5.9
96.08099	9.9
97.02884	11.5
98.06075	9.8
101.02380	20.9
108.04448	8.7
110.06048	10.2
115.03934	28.3
116.07030	6.6
122.06013	13.4
123.04401	20.6
124.07623	11.1
128.03427	15.3
129.01852	12.4
134.06046	13.1
150.05522	17.2
150.09155	8.7
152.07057	34.4
157.01372	18.4
165.05560	9.6
168.06528	9.4
178.05069	13.6
185.03778	8.2
186.02199	9.0
189.03984	42.9
196.05978	32.3
196.09688	64.4
198.07416	19.7
224.05661	7.2
242.06380	22.1
242.10257	74.2
242.15793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.6
68.05023	5.4
69.00905	1.7
69.07027	1.4
69.26575	8.6
69.26994	4.9
70.06580	1.9
73.02847	1.4
73.90859	1.1
79.04218	2.7
80.05013	3.9
81.07058	1.6
83.29321	1.4
84.08139	1.4
91.05448	3.0
93.04539	2.9
94.06544	1.7
96.04467	6.6
97.05276	4.1
98.21487	2.7
98.97552	1.8
101.03541	1.3
105.07010	1.7
110.03517	1.3
119.04849	3.0
120.05579	3.1
122.24244	1.3
124.03969	2.9
125.04765	2.4
133.06433	1.4
134.03221	1.4
134.07144	5.3
135.05513	2.0
135.07916	1.3
136.05064	17.5
136.92950	1.2
137.05835	4.9
146.03500	5.6
147.04266	44.6
148.05061	17.8
156.10233	1.4
159.04298	2.3
160.05067	56.0
161.16100	1.3
162.06555	1.8
164.04558	41.1
168.07671	3.1
169.08557	2.4
174.02989	7.2
175.03766	53.9
176.04561	25.6
178.06119	3.0
179.06934	6.6
180.07674	4.9
191.06830	2.3
192.04073	7.0
192.07678	86.3
196.07170	37.1
196.08890	2.3
197.07918	2.5
206.05615	2.9
207.06392	100.0
208.07159	21.4
224.06778	5.9
224.08908	1.6
225.07433	4.3
242.07800	8.7
242.17520	2.3
243.06442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.01871	1.1
55.05506	5.9
56.96558	1.5
57.07062	1.5
65.03934	1.0
67.05503	26.7
67.30762	0.8
67.80511	0.7
69.07059	3.3
71.04991	100.0
71.41782	1.3
73.06558	0.9
78.82450	0.7
79.05492	14.1
81.07054	40.6
83.04977	2.5
83.08596	1.7
85.06553	7.0
90.13519	0.8
91.05480	11.1
93.03704	2.2
93.07040	27.2
95.04973	2.9
95.08609	19.1
97.06503	4.3
99.08073	2.0
105.03393	2.9
105.07028	5.8
107.08591	9.3
108.73325	0.8
108.96346	1.0
109.06535	2.5
109.10160	2.2
111.08085	3.3
113.06026	0.9
116.98669	1.4
117.07024	7.6
119.08617	1.7
121.10168	2.9
121.83299	0.8
123.08061	0.9
127.07554	1.1
129.07042	2.2
131.08557	8.0
133.10152	6.5
134.99670	2.4
135.08064	1.4
135.11691	16.3
143.08521	1.5
145.10178	0.9
147.11713	1.1
149.13260	9.2
153.00720	0.9
159.11681	16.5
163.03929	1.5
168.61311	0.9
171.11653	1.6
173.13348	1.0
177.12741	8.2
181.98878	0.7
185.13368	1.7
196.47884	0.7
199.14789	1.9
203.19423	0.8
209.15445	2.3
214.51309	0.8
241.08662	1.4
241.19557	4.1
241.37886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	46.4
56.96549	29.0
57.07080	12.1
60.00497	8.9
67.05502	53.9
69.03432	40.7
69.07059	34.8
69.51211	44.8
69.51617	22.0
71.04988	18.4
73.02924	9.5
78.90887	7.4
79.05489	65.0
80.95372	7.0
81.03412	13.4
81.07064	64.3
83.04981	10.2
83.08614	33.6
83.60603	8.5
91.05480	38.9
93.03724	36.0
93.07040	82.6
95.04977	15.2
95.08131	9.3
95.08614	93.5
97.02909	18.3
98.97572	32.5
99.04453	10.4
99.08067	10.1
104.60462	7.1
105.07026	24.2
107.04950	24.8
107.08579	54.3
109.06522	10.9
109.10163	25.8
111.04470	8.5
116.98625	29.5
117.07062	11.1
119.08551	14.9
121.06462	13.6
121.10138	46.5
128.06209	12.1
131.00131	9.9
131.04951	9.5
134.99658	24.8
135.04443	8.3
135.08099	9.9
135.11707	59.7
141.17737	8.6
143.08426	11.9
145.10123	41.6
149.01300	10.4
157.06372	9.1
157.10085	11.9
160.97438	9.6
163.03932	9.7
163.11189	65.7
171.11655	12.1
177.00679	23.6
181.06604	8.8
181.12250	16.4
191.02211	10.6
201.34581	7.8
202.98665	8.5
209.11758	17.4
213.09198	13.8
227.12798	100.0
241.08609	30.6
241.15924	14.1
241.19614	29.1
247.62035	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	240.987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98645	0.4
56.96563	23.0
58.67346	0.3
60.46095	0.4
65.37543	0.3
70.20271	1.5
71.95256	3.6
74.59066	0.3
98.20852	0.6
98.97580	100.0
99.97923	0.4
116.98616	95.1
117.99001	0.5
118.99033	0.4
119.01918	0.5
134.99652	64.8
136.00017	0.4
140.00192	2.5
140.01126	0.4
148.62997	0.4
153.00711	11.0
153.01921	0.8
155.34079	0.3
158.01234	2.7
174.97614	0.3
176.02425	0.5
177.00958	1.1
179.00897	0.3
192.98738	0.6
216.98734	0.7
219.01973	1.8
220.02090	0.8
234.99727	1.8
240.98575	2.4
248.84233	0.4
256.96695	0.6
258.96567	1.3
258.99744	23.2
259.99957	1.0
264.95358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01865	7.2
55.05510	17.4
55.42715	2.3
56.96567	5.0
57.03431	5.7
65.03962	2.9
67.05501	25.0
69.03417	4.2
69.07063	13.2
69.80853	8.5
69.81268	8.0
75.02691	3.4
79.05491	32.2
81.03415	5.7
81.07045	27.0
83.04968	4.4
83.08619	11.7
91.05487	13.4
93.03710	12.9
93.07040	42.3
95.04971	8.6
95.08607	55.4
97.02878	5.0
97.06548	3.5
98.97534	2.8
99.04474	3.0
105.07019	10.8
107.04940	20.0
107.08603	28.4
109.10151	3.9
111.04422	4.5
117.07014	11.5
119.08559	9.9
121.06500	5.9
121.10159	15.7
125.05987	3.5
129.07062	3.5
134.99619	5.2
135.11696	56.1
143.08554	3.2
145.10123	28.9
152.06252	4.0
153.07031	3.8
157.06540	5.4
157.10066	3.3
159.11745	3.6
163.11177	76.7
167.08577	5.4
168.11125	2.5
171.11726	3.9
173.09628	3.6
177.07021	4.2
181.06525	3.6
181.12247	15.3
195.07976	13.0
198.06795	4.8
209.11780	2.9
213.09299	3.5
227.12779	100.0
241.08600	56.3
241.19615	7.9
259.08380	2.7
261.02448	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	240.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10977	0.2
55.05511	1.2
56.05016	0.6
57.07058	0.4
62.06078	0.3
67.05482	1.2
69.03417	0.3
69.07050	0.9
70.06550	0.4
70.54140	0.9
72.04500	1.0
74.06062	0.8
79.05497	1.3
80.04991	0.5
81.03403	0.3
81.07050	1.7
81.87513	0.2
82.06570	0.6
83.08605	0.4
84.04517	0.3
84.08131	0.3
88.07607	0.2
91.05460	0.4
93.07037	1.9
94.06552	0.9
95.04961	0.2
95.08593	1.4
96.08092	0.4
97.02917	0.2
97.06538	0.3
98.97554	0.4
100.07621	0.6
103.31651	0.3
105.06979	0.4
107.08573	0.9
108.08122	1.2
109.08889	0.4
110.06047	0.3
110.09624	0.4
112.07606	0.6
114.09161	0.6
122.09671	1.3
123.10447	0.4
124.07590	6.1
124.11242	0.3
125.06036	0.3
126.09157	0.5
128.10681	0.4
128.98587	0.3
131.04881	0.2
133.10104	0.6
135.11690	0.9
136.11215	2.7
137.13297	0.4
138.09181	1.4
139.09920	1.3
140.10669	0.6
142.12277	1.4
150.12796	2.3
151.13577	0.8
152.07114	0.3
152.10710	2.6
152.14336	0.3
153.11446	0.9
154.12270	2.4
166.12279	5.5
167.13065	2.2
168.13838	1.6
178.15900	0.3
189.22154	0.2
194.15378	2.3
195.74327	0.2
196.16968	100.0
197.17346	2.4
198.18488	1.2
210.06294	0.3
240.06703	0.3
240.19588	37.2
241.08644	0.4
241.20078	1.1
243.14500	0.2
261.89865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01874	2.4
55.05313	1.1
55.05507	14.2
57.03424	6.4
57.07051	2.5
57.11278	1.2
58.59307	1.2
59.04985	2.2
62.05788	2.6
62.06086	44.3
65.03949	2.0
67.05505	70.0
68.05822	2.3
68.67530	1.3
69.03413	6.5
69.07072	9.8
70.06979	7.9
71.04972	5.7
76.02216	2.8
79.05496	28.7
81.03410	2.7
81.07054	45.1
82.07405	2.0
83.04956	2.8
83.08600	4.7
91.05479	31.8
93.07042	30.9
93.07610	1.6
94.62031	1.6
95.04964	11.9
95.08605	100.0
97.06512	1.7
98.21428	2.5
99.04465	1.5
105.07029	19.3
107.04940	1.9
107.08596	11.2
109.06509	6.0
109.10155	48.8
110.06045	1.4
111.08041	1.5
116.64282	1.3
117.06995	2.6
119.08584	29.7
121.10138	8.4
122.02723	5.7
123.08036	9.2
123.11713	2.7
131.08543	1.8
133.10118	7.4
135.11632	8.1
137.09663	10.9
137.13240	1.6
142.12302	3.3
149.13173	1.7
151.14813	19.1
153.07155	1.3
161.13254	8.7
170.11781	3.1
177.05186	1.6
179.14328	10.6
181.06459	1.8
213.09122	1.8
222.18622	2.4
240.06577	2.7
240.19585	57.4
241.08624	4.9
241.19801	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	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00328	1.0
53.03944	1.2
53.18130	0.6
53.65285	0.7
55.05508	25.3
55.96193	0.6
57.07076	100.0
65.03944	1.6
67.05503	54.0
69.07067	27.9
70.32835	1.4
70.33233	1.6
71.04984	1.1
71.08630	58.2
79.05495	6.1
81.07056	57.4
83.08617	28.4
85.06522	3.5
85.10181	28.4
89.06044	0.8
91.05538	0.9
93.07060	2.5
95.04975	0.8
95.08604	77.7
97.10169	12.0
97.10770	1.0
99.04456	0.8
99.08106	2.4
104.63183	0.7
107.59995	0.8
109.10156	27.7
110.10493	0.9
111.11758	1.9
122.63275	0.7
123.11710	8.1
132.37321	0.9
137.13321	1.9
141.07057	1.1
143.08565	0.8
151.14838	1.1
152.06206	5.0
153.06973	4.9
154.07771	1.2
155.08524	3.4
157.10147	1.2
169.10159	1.6
171.11673	1.2
183.11766	2.4
197.13277	1.2
238.03421	0.7
239.08978	0.8
239.18028	2.5
239.23808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.8
53.03939	1.8
53.93346	0.8
55.05513	24.6
57.07077	100.0
59.89880	0.9
64.55634	0.9
65.03928	2.1
67.05507	52.6
69.07069	22.8
69.55061	4.0
69.55490	3.1
71.08634	56.5
79.05495	5.5
81.07059	54.6
83.08623	31.0
83.09118	1.7
85.06537	3.1
85.10187	25.6
89.06026	1.0
91.05494	1.9
93.06455	0.8
93.07036	3.9
95.08609	71.4
97.10178	14.0
99.08087	1.8
109.10152	24.4
111.11734	1.5
123.11714	7.1
129.07005	2.8
131.08466	1.0
132.04471	7.9
137.13275	2.2
141.07025	2.2
142.07855	1.5
143.08588	3.0
145.10115	1.7
155.08453	4.4
157.10135	4.7
159.11774	1.4
169.10129	5.9
171.11714	5.1
181.10107	1.1
183.11685	6.3
197.13271	8.7
211.14760	1.7
216.53584	1.8
239.17955	17.1
239.23662	2.0
255.60013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.84608	2.3
53.03942	2.8
55.05506	14.8
56.96561	5.0
57.03435	4.6
57.07066	8.3
59.05004	5.7
61.42850	2.3
67.05501	30.3
69.03426	9.2
69.07081	16.1
70.16280	10.2
71.04986	28.2
79.05482	24.2
81.03426	2.8
81.07054	100.0
83.04974	10.8
83.08632	6.7
83.76362	2.5
85.02916	3.6
85.06548	8.1
87.04469	12.1
91.05471	25.3
93.07037	65.0
95.04977	11.2
95.08604	47.3
95.09171	4.0
97.06516	8.4
97.10176	2.3
98.97571	5.1
99.08109	11.4
101.11829	2.3
103.05480	5.6
104.05766	3.6
105.07029	30.8
107.04950	3.8
107.08585	39.5
109.06493	11.1
109.10147	27.8
111.08131	2.3
113.06010	10.7
115.05437	4.2
116.06240	2.9
116.98605	3.9
117.07033	7.2
118.07362	2.9
119.08569	21.1
121.10130	22.1
123.04447	3.0
123.08061	8.1
123.11697	53.1
125.09615	7.4
127.07519	3.5
127.11166	12.2
129.07063	3.2
130.92654	2.2
131.04939	7.1
131.08530	13.1
132.05258	10.9
133.10121	44.4
135.08006	4.1
135.11708	16.6
136.07561	2.2
136.08771	2.3
137.09605	4.9
137.13220	2.8
139.11139	2.5
141.07010	4.4
143.10678	2.5
144.05713	6.5
145.06477	5.6
145.10109	10.9
146.06833	4.5
147.11694	10.8
149.05975	13.8
149.09578	5.0
149.13255	7.1
150.06319	29.9
151.11169	69.7
152.14330	6.6
153.12843	3.2
154.03894	2.8
155.10602	4.0
159.08072	11.1
159.11707	11.0
161.13239	8.5
163.04202	2.6
163.07562	7.9
163.11235	4.0
164.07886	10.0
165.12834	3.6
173.13211	4.3
175.07573	3.4
175.14813	5.1
177.05446	4.2
177.12755	3.7
187.07549	10.1
191.07016	6.1
191.14325	4.5
191.17975	5.0
194.11913	2.7
201.16406	10.7
207.10214	2.9
214.92445	2.1
219.10216	12.0
219.13918	2.9
219.17421	33.5
220.12318	3.0
220.14206	18.8
237.07259	2.3
237.11194	4.5
237.14735	4.0
237.16682	9.5
237.18741	25.5
237.22136	7.4
238.18011	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
51.08847	2.6
53.00310	3.4
53.03948	4.3
55.01864	4.8
55.05513	43.5
56.96566	12.9
57.03431	4.2
57.07071	10.4
65.03944	3.0
67.05500	31.2
69.03428	34.5
69.07066	27.6
69.58161	10.5
69.58597	10.8
69.87217	2.5
71.04993	55.7
73.02925	3.6
79.05504	26.6
81.03396	3.4
81.07057	83.3
83.04982	44.8
83.08620	9.2
85.02898	5.9
85.06536	7.8
85.10715	3.0
88.17812	2.5
91.05484	29.5
93.07050	48.3
95.04971	20.9
95.08611	35.8
97.02856	4.0
97.06502	14.3
97.10171	6.6
98.17265	2.6
98.20762	6.4
98.97559	7.8
99.08092	19.4
103.05495	3.3
105.07034	52.4
107.04954	3.8
107.08595	40.5
109.06538	30.6
109.10161	35.7
111.08098	9.2
113.09680	3.8
116.98641	9.8
117.07025	9.2
119.08566	19.6
120.08088	9.0
121.06507	3.9
121.10136	40.4
123.08077	10.7
123.11713	22.9
125.09637	16.8
127.07565	5.3
127.11195	57.0
129.06915	3.2
131.05006	2.9
131.08575	10.4
133.10129	62.2
133.11086	4.0
134.99648	7.1
135.08076	4.7
135.11652	14.9
137.09601	4.1
139.11176	16.2
143.10675	10.6
145.10126	30.4
147.11684	14.1
149.09641	6.7
149.13295	10.1
151.11189	100.0
155.10686	18.0
159.11662	16.6
161.13290	5.5
162.64690	2.6
163.11188	4.9
165.05550	7.1
165.08543	3.5
165.12823	4.0
166.08644	5.4
167.14333	2.9
175.14841	3.4
177.05556	4.1
177.09128	3.2
177.12766	7.5
177.16342	4.3
181.08479	3.4
181.91899	2.8
187.07692	3.9
191.07068	5.8
191.10788	3.2
191.14278	3.1
198.09131	2.5
201.16399	11.1
219.10133	5.7
219.13835	3.9
219.17465	22.8
237.07455	4.4
237.14888	8.6
237.18559	21.9
237.22174	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	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03928	4.7
54.54452	3.2
55.01856	3.9
55.05510	82.6
56.96561	11.4
57.03411	4.6
57.07069	8.4
59.04993	3.4
65.69126	4.0
67.05508	27.0
69.03431	30.0
69.07065	19.6
69.52686	16.8
69.53117	12.4
71.04996	58.7
79.05494	17.6
81.03412	3.9
81.07054	76.3
83.04980	91.1
83.08591	5.5
85.06551	6.8
90.31114	3.7
91.05500	20.8
93.07037	39.9
95.04960	20.5
95.08600	28.6
96.10827	3.5
97.02900	4.9
97.06515	23.3
97.10183	5.4
98.97571	12.0
99.08095	13.0
105.07032	46.1
107.08598	39.5
109.06490	26.7
109.10145	39.1
111.08067	8.9
112.38262	3.0
114.08714	3.5
116.98606	4.6
117.07005	5.0
119.08573	11.9
120.67467	3.4
121.06490	4.3
121.10143	42.1
123.08055	13.4
123.11700	28.2
125.09624	8.6
127.07530	7.3
127.11185	51.1
128.08011	3.4
128.98589	4.0
131.08595	12.1
133.10143	61.0
134.99605	4.3
135.11716	13.1
137.09593	7.4
139.11174	35.2
143.10713	5.1
145.10085	16.8
147.11649	16.1
149.13248	9.7
151.11171	100.0
153.12730	9.1
155.10654	13.0
156.07971	4.1
159.07965	4.7
159.11676	25.9
161.13275	6.6
163.11105	5.8
175.02885	4.8
177.00826	5.5
177.12758	6.4
191.07053	3.7
191.18071	5.6
197.01357	4.5
201.16368	12.5
219.09801	5.1
219.17464	23.5
228.10037	8.8
237.10823	5.3
237.14777	6.8
237.18451	31.0
237.22118	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03959	3.5
55.01868	6.0
55.05510	74.2
56.96570	6.7
57.03431	6.3
57.07087	5.0
59.04986	3.6
65.03943	4.2
67.05511	20.2
69.03426	14.6
69.07074	22.2
70.73557	6.5
71.04989	40.2
71.16796	2.5
79.05502	19.3
81.07056	60.0
83.04984	100.0
83.08627	3.0
85.02911	6.1
85.06532	3.6
91.05481	22.2
92.77740	2.7
93.07045	37.4
95.04984	15.7
95.08603	28.2
97.06511	19.7
98.97581	15.9
99.08108	10.1
103.05453	3.9
105.07040	31.2
107.04978	12.0
107.08596	32.5
109.02880	3.5
109.06516	18.4
109.10166	34.8
111.08086	11.7
115.05421	3.3
116.98624	11.7
117.07024	6.1
119.04963	4.8
119.08585	16.8
121.06524	5.1
121.10148	37.8
123.08080	4.3
123.11718	21.8
125.09647	5.2
127.11169	19.1
131.08597	8.3
133.10130	48.4
134.99640	7.1
135.08063	6.3
135.11687	17.2
137.06006	7.7
137.09634	3.1
139.04027	3.8
139.11209	31.9
143.10724	5.1
145.10098	14.2
147.11728	12.7
149.02335	16.8
149.03365	2.7
149.05940	3.5
149.13260	13.0
151.11192	62.7
151.12361	4.8
153.12755	7.0
155.10669	5.0
156.08087	5.1
159.11737	16.5
161.13219	5.1
163.07567	4.2
163.11192	10.3
165.05490	8.0
173.13318	3.5
175.14841	3.1
177.00700	6.7
177.08955	2.8
177.12772	6.7
177.16243	3.2
181.04904	3.6
191.07080	8.7
191.17947	3.7
193.04982	11.0
201.16446	13.2
219.06517	4.2
219.09740	3.7
219.17424	23.0
237.07481	14.7
237.11160	3.9
237.14961	5.4
237.16196	3.0
237.18497	29.5
237.22066	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
56.96568	15.8
57.07074	13.3
59.02485	9.4
65.03954	1.1
65.16090	0.9
67.05508	3.2
69.07076	1.0
69.93819	4.1
79.05506	2.1
81.07050	2.4
83.04963	1.1
91.05479	14.0
93.07040	4.0
95.04965	9.4
95.08582	1.7
99.64005	0.8
105.07042	3.2
107.04945	1.6
107.08602	1.1
108.05728	15.9
109.06515	5.1
119.06094	1.4
121.10181	2.2
123.08070	78.6
124.08412	1.3
132.08104	1.2
133.06500	6.9
133.07495	1.5
136.07579	4.4
141.09117	1.3
142.20871	0.9
148.06328	1.7
149.04776	1.6
149.05989	33.1
150.06279	1.3
163.08670	2.7
164.07085	2.0
165.05493	2.2
177.12740	1.1
181.09721	100.0
182.09996	1.0
191.14294	1.7
195.11623	1.0
203.05286	1.5
203.07040	18.9
203.57274	1.2
209.11681	0.9
212.07610	7.2
214.57858	6.2
215.08028	1.1
237.14581	1.2
239.07040	12.8
255.06496	2.5
257.08139	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
53.46505	0.2
55.01865	1.3
55.05510	6.1
57.03429	0.2
57.07059	0.4
59.05000	0.2
65.03939	1.3
67.05502	6.8
69.03419	0.8
69.07079	1.2
69.95467	1.1
71.04990	2.4
77.03934	0.2
79.05491	4.7
81.03413	3.7
81.07055	6.1
83.04984	1.8
83.08621	1.8
85.02905	1.8
85.06564	0.4
91.05482	5.8
93.07040	4.6
95.04965	100.0
95.08601	4.6
96.05295	1.7
97.06538	0.9
97.10194	0.5
99.08025	0.2
101.06025	0.2
105.07021	3.3
107.04978	0.6
107.08587	1.5
109.06521	3.8
109.10157	1.3
111.08089	0.6
115.05485	0.3
117.07014	2.7
119.08578	1.9
121.06503	2.8
121.10128	1.3
123.04443	0.5
123.08078	0.5
125.09638	0.2
128.06181	0.3
129.07027	0.6
131.08565	3.9
133.10136	2.9
135.08051	3.4
135.11699	1.1
137.09602	1.1
141.06998	0.4
142.07796	0.3
143.08580	1.1
145.10103	1.0
147.11693	0.4
149.02354	0.3
149.09618	1.1
149.13226	1.4
155.08551	0.9
157.10120	0.9
159.08075	0.4
159.11687	3.9
160.11983	0.2
161.09628	2.7
163.36288	0.2
168.09344	0.4
171.11685	0.2
173.13295	1.9
175.11313	0.4
177.12752	4.7
178.13055	0.3
183.11656	1.2
191.14349	0.7
191.48979	0.2
193.05026	0.4
201.12733	2.2
219.13794	1.1
237.14790	2.6
237.22162	0.3
254.81126	0.2
256.48965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03942	1.0
55.01866	1.1
55.05310	0.3
55.05515	3.3
56.96563	0.8
57.07058	1.0
60.67247	0.3
64.73412	0.3
65.03931	1.0
65.81692	0.3
67.05511	4.3
69.03429	0.4
69.07077	2.4
69.65833	0.3
71.05000	1.6
71.58739	0.5
74.59840	0.3
77.00899	0.5
79.05492	6.4
81.03416	0.7
81.06586	0.6
81.07058	11.1
83.04974	1.4
83.08599	1.3
83.56875	0.3
85.02911	0.4
91.05483	3.8
93.07045	3.8
95.01949	0.6
95.04972	9.3
95.08611	3.4
97.06541	1.0
97.10171	0.6
101.49026	0.3
103.05450	0.4
105.07021	1.5
107.04954	2.0
107.08610	2.0
107.86675	0.4
108.05740	10.4
109.06519	22.3
109.10149	1.4
111.08051	0.5
117.07020	1.3
119.08562	1.2
121.06503	3.3
121.10128	1.4
123.04418	0.5
123.08064	0.6
123.11723	0.7
125.09609	0.9
128.06329	0.3
131.08592	1.1
135.08067	1.3
135.11691	1.0
138.36189	0.3
139.19864	0.3
145.10133	0.4
146.82123	0.4
149.02354	1.0
149.09581	0.7
149.13304	0.7
159.11696	1.1
163.11148	0.3
165.05536	0.8
167.08688	0.4
167.14259	0.4
173.13280	0.6
177.12755	0.7
193.04877	0.9
195.11665	0.9
201.12827	0.4
219.13797	1.2
232.09258	0.4
237.14856	100.0
237.22115	1.7
238.15205	2.7
243.14476	0.4
255.14445	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.112
Annotation	(3S,4S)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane
Peak:m/z	Relative Intensity
55.01872	1.3
55.05506	2.6
57.07076	1.9
59.05007	1.0
65.03934	1.0
66.04707	0.7
67.01866	22.5
67.05499	5.6
69.03433	2.2
69.07066	3.6
70.31828	1.3
70.32220	1.9
71.04989	3.0
79.05484	6.2
81.03415	1.1
81.07054	13.7
81.94270	0.6
83.04980	3.0
83.08621	0.8
85.02917	1.1
85.06526	1.1
91.05484	6.1
93.07053	7.1
94.04196	1.9
95.04954	3.4
95.08611	7.9
97.06528	2.4
97.10164	1.2
99.08109	1.0
103.05559	0.9
105.07033	3.3
107.04957	33.0
107.08620	5.3
108.05296	1.2
109.02873	0.8
109.06532	2.9
109.10169	4.6
111.04449	1.3
115.05460	1.2
117.07023	0.9
119.04945	7.0
119.08578	2.9
121.06532	1.8
121.10133	3.2
122.03648	4.2
123.04419	0.8
123.08087	1.4
123.11691	5.0
125.05957	1.1
125.09645	1.9
127.11230	0.8
129.07001	1.3
131.08592	5.5
133.06499	1.0
133.10135	2.7
135.04430	11.5
135.08028	1.5
135.11705	2.1
137.05954	3.8
139.03906	1.9
139.11119	1.1
140.71379	0.6
145.06520	0.6
145.10190	1.3
146.30927	0.6
147.11670	1.1
149.09604	1.8
149.13226	1.4
150.03116	1.9
151.03899	1.3
151.07552	1.5
151.11176	2.5
151.25996	0.7
153.05453	2.6
153.12791	0.6
158.07330	1.0
159.08084	5.8
159.11650	1.6
161.05956	0.7
161.09619	0.6
161.13222	0.9
165.05481	100.0
166.05797	1.9
167.07059	1.2
177.09116	2.6
177.16510	0.6
181.04965	1.3
181.36008	0.7
187.07542	14.1
188.08192	0.7
189.05486	2.9
193.08517	0.8
201.09093	1.6
201.16470	1.2
205.08618	1.5
219.10149	10.0
219.17430	1.9
219.20953	0.7
222.13936	0.8
236.24638	0.7
237.11211	45.8
237.14923	2.2
237.18384	2.5
237.22047	4.2
238.11691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.112
Annotation	(3S,4S)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane
Peak:m/z	Relative Intensity
51.25654	0.5
53.03948	0.6
55.05500	1.1
56.96577	0.7
57.07069	1.3
58.57264	0.4
58.72144	0.5
59.04987	1.8
65.03939	0.7
66.04696	0.7
67.01862	22.7
67.05513	3.1
67.99983	0.5
69.03420	1.7
69.07066	1.3
71.04977	0.7
71.08628	0.5
71.43548	0.6
71.59319	0.6
79.05488	4.3
81.07049	4.0
83.04967	0.9
83.08614	1.1
91.05472	6.2
93.07043	2.0
94.04177	1.4
95.04979	2.3
95.08596	2.0
97.06537	0.6
105.03390	0.5
105.07033	1.8
107.04953	35.1
107.08577	1.4
109.06518	4.0
109.10146	1.0
111.04418	0.9
115.05435	0.5
116.06213	0.9
117.07065	0.7
119.04937	8.7
119.08404	0.4
121.06519	1.1
121.10146	1.4
122.03643	4.3
123.08095	0.7
123.11682	0.8
131.08563	4.5
133.06477	0.5
135.04401	10.6
135.11748	0.8
137.06006	3.9
139.03920	0.6
141.07018	0.8
143.08560	0.6
145.10193	0.5
147.04391	0.9
149.02365	0.9
149.05989	1.1
149.09605	1.2
150.03133	1.8
153.05447	1.5
158.07260	0.5
159.08061	7.4
161.05962	1.2
161.09644	0.6
165.05470	100.0
166.05807	1.3
167.03401	0.8
167.06987	0.5
170.11568	0.5
177.05492	1.1
177.09105	3.3
179.03337	2.3
179.06955	0.8
181.10083	0.5
187.07552	14.7
189.05472	3.3
189.09145	1.0
191.07019	1.1
193.05002	0.5
201.09084	1.8
204.07680	0.6
205.08588	1.7
219.06569	1.4
219.10158	13.2
237.11208	46.0
237.14545	3.1
237.22119	1.7
238.11539	1.5
244.97435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
55.01878	0.3
55.05515	0.6
56.96564	1.6
57.07059	0.5
57.90675	0.2
59.47220	0.2
61.02927	0.3
67.05511	0.6
69.03421	0.6
69.07053	0.9
70.04026	0.3
70.06580	0.7
70.51649	0.8
72.08162	0.5
74.02029	0.4
74.02438	6.2
79.05484	0.7
81.07072	1.2
83.04959	0.4
83.08605	0.4
84.08108	0.4
85.02886	0.6
86.09710	0.3
90.15186	0.3
91.05484	0.8
93.07034	0.6
95.04970	0.4
95.08598	0.7
95.21938	0.2
97.02889	0.8
97.06511	0.3
98.97578	0.5
103.05460	1.2
107.04951	0.3
109.10130	0.3
110.07181	0.4
116.98615	0.4
118.01243	0.2
118.06536	2.1
119.04910	0.4
120.08109	0.3
121.06516	0.4
121.10157	0.3
125.09647	0.3
125.41060	0.3
128.04965	5.3
129.10234	0.3
130.06528	1.0
131.04913	1.1
132.04443	1.3
134.99677	0.4
135.04504	0.3
137.05988	0.4
146.06004	100.0
147.04411	0.5
147.06329	2.3
148.03926	2.3
150.05469	0.3
157.07672	0.4
158.06047	0.8
161.01251	0.4
163.03943	0.8
163.07550	0.9
173.07083	0.8
174.05475	0.7
175.08749	0.5
177.00723	0.3
177.05432	0.4
191.08215	1.5
192.06503	0.3
214.61035	0.3
219.07668	2.2
231.01784	0.3
237.08890	2.3
237.11264	0.4
237.12480	0.6
237.22119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
55.05499	1.8
56.96555	2.2
57.07064	1.3
58.27285	0.5
59.74108	0.6
67.05489	2.1
69.07035	1.1
69.33233	2.9
69.33658	2.8
70.06576	0.7
72.08147	1.1
74.02442	3.7
79.05485	0.9
80.05022	0.8
81.03441	0.9
81.07058	1.4
82.02939	0.8
83.04987	1.0
83.08598	1.4
84.08151	0.6
87.19942	0.5
89.10840	0.7
91.05486	3.2
93.07040	1.8
94.06573	3.1
95.04978	1.0
95.08595	1.6
97.06519	0.7
99.72589	0.6
103.05436	0.8
104.05018	0.8
106.06529	0.9
107.08599	0.9
108.04472	0.7
109.10111	0.6
110.06052	1.4
117.05746	0.6
118.06541	7.8
120.04436	2.8
120.08097	5.8
122.06063	0.8
123.11681	0.9
128.04941	5.7
130.06520	10.2
131.04933	0.9
131.07425	0.8
132.04439	1.6
133.05223	1.2
135.04384	0.9
135.11708	0.6
136.07578	5.6
144.08080	0.7
145.02716	0.8
145.07608	1.5
146.06004	100.0
147.06390	2.7
148.03925	18.8
149.05035	1.2
149.06047	0.8
150.05447	1.3
155.06061	0.8
157.07599	8.3
158.05992	1.2
159.09195	2.1
163.03891	3.3
163.08731	1.4
164.07104	1.6
166.08626	2.4
168.56622	0.6
173.07114	4.5
174.05511	17.5
174.07840	1.1
175.06020	0.6
175.08748	0.7
176.07043	0.6
177.05495	1.6
178.04999	1.8
179.11853	0.7
185.91508	0.6
191.08151	26.7
192.06540	2.8
192.08295	0.8
202.05028	2.8
203.02238	0.6
203.08144	6.8
208.13425	0.5
216.95605	0.6
219.07773	1.0
219.21175	0.7
220.06033	4.6
234.94568	0.6
237.08777	9.3
237.12569	0.7
237.22134	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	236.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
56.96575	0.9
57.07093	1.8
58.07420	0.6
67.05519	1.3
69.03449	0.7
69.07072	1.2
69.31204	4.3
71.05003	0.5
71.08640	0.5
79.05503	1.2
81.07062	2.0
83.05004	0.5
91.05482	3.0
93.07061	1.6
95.04971	0.7
95.08620	1.6
98.21489	0.9
98.97614	2.1
103.05470	14.7
103.06146	0.9
105.07040	1.5
107.04966	0.9
107.08587	1.1
109.06563	0.5
109.10182	0.7
115.05457	1.9
116.06234	0.8
116.98618	1.6
117.07018	11.9
119.04960	0.5
119.08582	1.1
121.06525	1.4
123.04443	4.5
131.04933	40.3
131.08585	3.5
132.05222	0.6
133.06487	0.6
133.10150	1.5
134.99652	1.2
135.04489	0.5
135.08044	0.5
135.11731	0.8
137.05971	7.2
137.09554	0.4
141.07089	0.4
144.05719	1.7
145.06488	22.2
146.06874	0.6
149.05984	100.0
150.06374	1.5
151.07555	1.0
151.11206	0.5
158.99657	0.7
159.08049	4.9
161.06029	1.3
162.06770	1.5
163.07550	33.4
164.07954	0.5
175.07521	0.5
175.14877	0.5
177.00684	1.5
177.09155	2.9
179.10547	0.4
180.10977	0.8
187.06235	0.7
196.06769	0.7
196.56837	0.6
201.12762	1.2
206.08820	0.7
219.13809	48.4
220.14153	1.3
236.16449	40.1
237.16739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26321	0.5
53.34567	0.4
56.96564	4.6
57.03438	0.6
57.07071	2.1
61.02928	1.0
68.05020	0.6
69.03423	1.4
70.06588	31.9
71.10160	0.7
71.10500	0.6
72.08152	0.6
73.02908	0.5
81.04531	3.0
82.05317	14.6
82.05807	0.8
83.05633	0.6
83.06100	7.3
85.02892	1.6
86.06037	0.4
87.04461	0.4
91.02325	0.5
93.04519	4.2
95.06091	2.5
97.02891	1.5
98.06030	1.9
98.97575	1.5
110.07159	91.7
110.97561	0.5
111.07488	1.0
112.99122	0.8
115.08726	0.4
116.98605	1.0
119.04948	0.4
121.04000	2.0
121.07616	0.6
122.07141	0.5
123.04685	0.4
123.05557	1.5
123.07964	0.4
125.07104	0.7
128.98621	0.6
131.00166	1.1
133.01741	0.6
135.03146	0.8
136.07576	0.4
137.07106	1.2
138.05687	0.5
138.06616	3.2
147.04372	1.0
148.03847	2.7
148.04927	0.5
149.01210	0.8
149.07085	1.6
151.02763	0.5
154.07365	1.3
157.04404	2.2
157.54631	0.7
162.10254	12.3
163.02908	0.6
163.04344	1.4
163.54703	0.5
166.06113	5.7
179.10730	1.4
189.11371	0.7
190.09793	1.4
193.03836	0.7
196.05061	0.5
207.12425	6.6
217.10838	4.6
218.09251	1.1
235.11887	100.0
236.12238	2.5
237.02890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
56.05037	1.3
56.96551	4.0
57.07076	9.0
58.07417	2.3
59.04993	3.6
60.04526	46.4
67.05505	7.7
69.03425	1.4
69.07059	3.2
70.06585	2.1
70.68256	1.0
71.57455	1.6
74.06071	2.1
81.07052	1.2
84.08142	1.2
85.02892	2.4
85.06565	8.6
86.02417	3.6
87.04461	1.8
87.08082	1.2
88.03991	3.8
91.05470	2.3
92.05811	1.1
93.07008	1.9
95.04966	7.1
97.02895	2.7
98.97597	1.7
102.05556	1.9
103.07564	5.2
106.05029	100.0
113.05930	1.4
116.03451	1.5
116.98636	2.2
119.04920	1.4
126.09158	1.4
132.02939	4.8
134.06181	1.3
134.99661	2.8
137.05954	4.6
146.05989	3.1
147.04391	3.1
148.04831	1.4
154.08592	4.1
155.04663	2.7
158.59563	1.0
162.05397	2.3
164.05206	3.3
172.09706	2.6
174.11235	2.2
177.05403	1.3
178.04955	1.2
179.10692	1.4
180.11014	4.7
190.08655	2.2
190.10675	2.5
200.09184	7.5
213.00600	1.9
218.06335	2.0
218.08133	9.8
218.10248	11.2
219.07468	1.1
236.09177	7.0
236.11302	15.1
236.14821	2.3
236.17233	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78126	0.3
53.15250	0.2
55.05516	1.1
57.03437	1.4
57.07059	0.2
69.07069	0.5
70.74594	0.4
70.74932	0.5
79.05500	1.3
81.07061	4.1
91.05504	0.6
94.04053	1.4
99.08100	0.3
103.05477	1.2
105.07047	0.3
106.06572	1.4
119.03551	2.6
123.04442	0.5
129.07043	0.6
131.04930	2.5
136.06183	100.0
137.04599	2.9
137.06561	0.6
143.08554	0.3
147.04488	0.4
148.06197	0.4
149.05971	0.9
157.06416	0.4
161.05994	1.1
164.07088	1.9
175.07576	1.8
190.10864	1.3
192.06487	0.8
217.12262	1.3
234.13474	54.5
235.13731	1.0
235.16872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
55.05508	1.2
57.03431	2.0
57.07067	0.4
58.20992	0.3
69.30573	0.5
69.30975	2.6
71.61021	0.3
74.76244	0.2
75.93237	0.3
77.32837	0.3
79.05478	1.2
81.07055	3.9
91.05463	0.5
94.04061	1.7
98.20707	0.5
98.97613	0.3
102.58121	0.3
103.05473	0.4
106.06549	0.6
116.98515	0.3
119.03562	2.3
120.08115	1.4
121.89124	0.4
131.04922	0.5
136.06187	100.0
137.04610	3.1
137.06544	0.8
161.05998	0.4
164.07045	0.8
167.30200	0.3
175.07550	1.0
190.10887	1.3
217.12285	0.5
234.13496	56.8
235.13741	0.7
235.16872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53805	0.2
53.03955	0.2
55.05511	5.7
57.05809	0.3
57.07076	0.4
61.04049	6.9
69.07067	0.2
69.47795	0.9
69.48209	0.4
72.08155	29.1
73.06561	0.2
73.08493	0.2
89.71101	0.2
95.08640	0.2
98.21465	0.3
115.08691	100.0
116.08309	0.2
116.09037	1.0
141.06587	0.5
179.10635	0.3
180.00996	0.2
181.15750	0.2
234.12364	8.4
235.12871	0.2
235.16959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71550	0.3
53.03949	0.4
55.05220	0.2
55.05503	0.7
57.07073	1.1
58.06598	100.0
59.06930	0.6
67.05504	0.5
69.07079	0.5
69.15261	0.3
69.29587	1.8
69.30021	1.4
73.04040	12.3
79.05504	0.8
81.07076	0.3
86.06078	1.3
87.00881	0.3
91.05497	1.0
92.05016	1.0
93.07042	0.4
95.04982	0.6
98.21565	0.6
105.07046	0.9
106.06557	12.5
107.08643	0.4
115.08699	3.2
117.07088	0.4
119.08597	0.6
120.04481	2.6
121.06545	0.3
124.07368	0.3
131.08626	0.4
134.06030	0.3
136.06209	0.6
137.05981	0.6
138.06358	0.4
145.06555	0.3
146.10486	0.6
149.07120	1.6
163.05061	0.7
174.10023	0.6
175.07634	0.4
176.07062	6.7
176.08476	0.4
179.10762	1.0
190.08621	3.2
191.09407	0.7
192.07674	15.0
193.08122	0.3
199.73033	0.3
204.10196	2.1
234.12480	5.6
234.15013	22.1
235.16949	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2262
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03946	2.2
55.05512	15.5
57.07058	4.9
60.46831	1.4
65.03926	1.9
67.05502	97.0
69.03405	1.7
69.07059	13.9
74.54097	1.4
79.05490	27.6
81.07053	100.0
82.07324	1.7
83.08610	10.0
90.67159	1.6
91.05479	11.9
93.07039	37.1
95.04937	5.1
95.08600	90.2
97.10143	3.6
98.21500	5.0
98.56242	1.5
105.07034	16.4
107.04934	2.1
107.08579	19.6
108.18146	1.7
109.10156	42.6
110.85534	1.5
117.06988	5.3
118.48573	1.5
119.08615	8.0
121.06476	3.8
121.09318	2.2
121.10133	27.3
123.08074	1.8
123.11716	10.8
130.99889	1.4
131.08565	16.7
133.06491	2.2
133.10114	5.7
135.08012	1.8
135.11690	20.6
137.13254	7.5
143.08490	1.7
145.10139	11.3
147.11679	2.6
149.09570	3.1
149.13242	8.2
151.14844	4.7
155.08571	2.0
159.11623	9.0
161.13242	5.2
163.07558	2.2
163.11153	1.6
163.14798	4.4
169.10098	1.7
173.09669	1.8
173.13283	2.5
177.05411	3.8
177.09070	2.8
177.16237	1.9
178.06137	3.2
187.14809	29.8
191.07083	1.7
191.10620	1.6
197.13316	2.5
215.14391	8.0
217.15944	2.2
233.11644	3.3
233.15416	22.5
233.19044	38.4
233.22600	55.6
234.19196	1.6
234.22864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	3.6
55.05497	6.5
56.96549	5.7
57.05425	1.5
57.07071	4.3
59.26698	1.2
65.03934	2.1
67.05510	11.5
69.03115	1.6
69.03425	15.4
69.07052	6.5
71.04964	1.5
71.59096	2.0
79.05490	27.4
81.03387	2.4
81.07056	16.2
83.04968	2.4
83.08598	4.5
85.06537	2.6
91.05476	25.1
93.07031	19.4
95.04961	28.2
95.08604	10.4
97.06506	1.9
98.10201	1.4
103.05488	1.9
105.07024	29.5
107.04942	15.3
107.08584	21.1
109.06477	7.4
109.10170	9.2
111.04379	1.9
111.08038	2.1
115.05444	5.5
117.07014	11.6
119.04899	3.2
119.08578	100.0
121.06493	10.0
121.10159	9.8
123.08028	3.8
123.11724	3.4
125.09640	2.2
128.06212	3.4
129.06993	5.9
130.07791	3.5
131.08574	23.1
133.06480	7.9
133.10115	14.9
134.99661	1.5
135.08031	5.7
135.11707	3.4
137.05969	2.7
137.09612	3.2
139.03911	3.0
141.06978	3.4
142.07759	2.5
143.08528	8.9
144.09312	2.0
145.06497	8.1
145.10117	27.2
147.08046	3.9
147.11673	9.8
149.09628	11.3
149.13263	2.6
151.11131	3.2
155.08540	3.5
156.09320	4.9
157.06537	2.1
157.10124	8.0
158.07268	4.1
159.08058	6.8
159.11674	15.2
161.13251	2.6
163.11198	3.2
167.08644	3.3
169.10104	4.8
171.11702	6.1
172.05191	1.7
173.06032	2.4
173.09613	15.6
173.13249	13.6
175.11147	4.7
175.14862	2.4
177.05463	7.2
177.09088	4.3
177.12621	2.2
182.10938	6.8
185.09592	2.1
187.11185	6.3
187.14868	8.4
189.12773	6.6
191.03334	1.9
191.14299	14.5
197.13240	10.6
201.09096	6.9
205.08553	3.1
206.20274	1.7
208.48398	1.6
215.10739	2.8
215.14383	11.4
215.17947	4.2
233.04265	2.2
233.08112	6.0
233.11774	7.8
233.15366	53.3
233.18893	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	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02372	1.1
53.03935	3.1
55.01862	1.9
55.05498	6.2
57.07059	2.0
67.05514	5.9
69.03431	5.1
69.07058	1.9
70.58701	2.6
79.05492	70.8
81.07059	5.3
83.04961	2.1
83.08611	5.2
85.02853	1.0
90.11588	1.1
91.05476	14.0
93.07044	8.1
95.04979	10.1
95.08583	4.2
97.06498	1.6
103.05427	1.4
105.07021	13.2
107.04953	70.3
107.08595	11.1
109.06495	2.1
109.10130	1.1
111.08059	7.2
115.05372	1.3
117.06998	4.8
119.08595	7.6
121.06503	3.9
121.10119	8.6
123.08088	1.6
123.11683	1.2
125.09603	3.8
129.06996	1.6
131.08540	8.9
133.06477	2.8
133.10127	7.0
135.08025	2.1
142.07787	1.3
143.08521	2.1
145.06458	2.6
145.10121	3.8
147.04347	1.5
147.08029	2.2
147.11674	9.6
149.09621	8.5
149.13271	3.7
155.08488	1.6
157.10168	2.1
158.10855	2.5
159.07947	1.4
161.05945	2.2
171.11658	2.0
173.05844	1.2
173.09662	2.4
173.13278	6.6
175.11179	10.7
177.05479	1.4
191.14307	78.7
197.13263	1.8
215.10764	1.3
215.14265	3.1
230.78952	1.3
233.07979	2.4
233.11871	10.6
233.15356	100.0
234.15649	2.3
244.03793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03942	2.8
55.05497	8.9
56.96552	8.5
57.07066	5.3
67.05499	9.5
67.56432	2.5
69.03423	8.2
69.07054	5.2
69.30334	26.2
71.04985	2.7
78.66331	2.4
79.05496	69.2
81.03453	2.3
81.07050	9.0
83.05005	3.0
83.08605	10.3
85.06555	3.7
91.05490	16.1
92.74199	2.6
93.07032	15.9
95.04968	9.6
95.08587	9.8
97.06525	4.9
105.07031	21.7
107.04958	61.8
107.08607	14.6
109.06526	5.1
109.10155	3.1
111.04449	3.0
111.08052	7.2
115.05459	4.4
117.06993	9.4
119.08579	18.8
121.06506	9.5
121.10146	10.5
123.08075	3.2
129.07027	3.6
130.07767	3.6
131.08585	17.6
133.10089	12.9
135.08025	5.8
135.11700	4.0
137.05922	4.4
137.09605	4.2
143.08574	3.5
145.10133	17.7
147.08075	13.7
147.11673	13.7
149.01164	3.2
149.09605	12.8
149.13206	4.2
157.10149	4.3
159.11671	8.4
161.05969	3.2
163.11124	5.6
173.09613	6.3
173.13309	13.7
175.11218	18.9
187.11293	3.8
189.12782	3.5
191.12660	5.7
191.14311	74.4
197.13297	3.3
203.08514	2.9
215.10860	3.4
215.14384	4.8
217.15825	5.5
233.07983	5.3
233.11656	5.9
233.13533	4.2
233.15367	100.0
233.18904	24.8
234.15752	2.6
238.48361	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	233.1494
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
54.09350	0.9
55.01880	1.1
55.05511	3.6
56.05035	18.3
56.96568	2.8
57.03436	3.0
58.06590	4.3
67.05488	1.7
69.03424	2.6
69.07063	1.5
70.06590	3.0
71.04999	1.0
71.57802	1.7
72.04520	1.4
72.08154	2.2
73.02895	1.0
74.02456	2.3
74.06077	100.0
75.04479	2.2
75.34898	1.0
79.05496	1.4
81.07061	1.3
83.08619	2.4
84.04500	6.2
84.08117	0.9
85.02890	1.1
86.06049	1.1
86.09702	26.1
87.04469	1.4
87.05602	2.4
88.04018	1.3
90.94825	1.2
91.05457	1.5
96.04516	1.2
97.02877	1.1
98.06066	1.1
100.03980	2.3
101.07128	2.3
102.05540	1.1
104.10756	1.6
107.04946	1.4
117.06972	1.3
119.08601	1.1
126.12752	1.6
126.39644	0.9
128.10741	1.9
131.08536	1.2
131.97360	1.2
132.10202	17.1
132.95824	1.0
133.06165	1.0
145.06548	1.4
156.10229	3.1
158.11809	2.3
163.03941	2.3
169.13408	1.8
170.11789	1.5
171.12140	5.5
172.04259	1.3
174.11259	4.3
178.02525	0.9
186.02254	1.7
187.02451	7.3
187.08722	1.2
187.14406	9.0
188.01746	2.3
189.13184	3.3
190.98660	1.6
205.08484	1.1
208.99931	1.0
215.06958	1.7
215.14041	4.0
233.06131	1.1
233.08110	1.7
233.15065	11.1
233.18845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03924	3.2
55.01860	6.7
55.05497	6.3
56.96549	6.2
59.04974	1.6
65.03933	3.1
65.35192	1.2
67.05220	1.5
67.05505	15.6
69.03429	9.9
69.07050	6.5
71.04991	10.9
72.81699	1.3
79.05489	17.9
81.03397	2.3
81.07044	9.6
83.04966	3.2
85.02865	1.5
85.06538	3.8
87.03310	1.5
88.03978	5.6
91.05479	46.9
93.07038	17.7
95.04962	15.3
95.08596	5.4
97.06538	13.3
98.97572	6.1
99.04446	28.9
103.05441	5.3
105.07029	63.9
105.09234	1.2
105.95735	1.4
107.04963	7.2
107.08601	13.2
109.06526	4.3
109.10140	3.6
111.04388	1.8
111.08084	1.5
113.05988	1.8
115.05441	14.9
116.06229	3.0
116.98603	6.1
117.07006	30.5
119.04951	10.0
119.08577	20.5
120.08066	1.8
121.02805	1.8
121.06499	15.5
121.10145	3.7
123.04414	2.2
123.08073	5.5
125.05920	2.2
128.05360	1.5
128.06197	9.2
129.06995	20.2
130.07774	16.3
131.04918	7.5
131.08568	35.0
133.06490	7.8
133.10124	16.4
134.99603	4.5
135.04410	2.7
135.08049	9.0
135.11703	1.8
137.05981	11.1
141.06979	13.5
142.07826	3.4
143.08548	20.3
144.05682	4.3
144.09357	12.0
145.06464	19.7
145.10120	100.0
146.07228	2.6
146.10429	1.6
146.99571	1.9
147.04402	2.8
147.08083	8.2
147.11661	7.1
149.05963	2.2
149.09610	4.1
151.03889	2.8
153.06960	4.8
154.07758	10.7
155.08562	8.2
156.09306	2.4
157.06421	2.6
157.10115	5.0
158.07256	18.0
159.04433	2.0
159.08075	18.2
159.11682	44.8
160.05226	10.0
160.08786	1.8
161.05994	19.7
161.09648	7.1
163.07550	7.2
163.11188	11.2
169.06464	3.2
169.10104	20.9
171.08046	5.3
171.11682	4.0
172.05136	3.3
172.08841	9.2
173.05943	4.7
173.09619	97.0
173.13220	6.3
174.06714	2.1
174.10126	2.8
175.07507	7.0
175.11099	2.2
176.04686	7.7
177.00710	3.0
177.05408	5.4
177.09033	2.6
179.08638	2.8
182.07260	2.9
187.07565	4.6
187.11183	95.9
187.14787	6.5
189.05371	1.9
189.09055	16.0
189.12712	4.5
190.06297	1.7
191.06964	2.9
191.10654	9.1
197.09604	12.1
197.13173	1.7
201.09167	7.5
205.08554	8.8
205.12234	10.9
215.07292	6.8
215.10670	57.5
215.14224	6.0
215.17975	2.7
216.10893	2.2
233.08096	12.0
233.11703	57.7
233.15265	17.7
233.19000	4.0
237.46857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1169
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03943	0.6
55.01867	1.1
55.05511	1.4
56.01374	0.9
65.03941	1.0
67.05505	3.0
68.30334	0.6
69.03425	4.6
69.07066	1.1
69.72932	3.9
71.04961	0.8
79.05495	4.1
81.07043	2.7
81.24931	0.5
83.04974	0.7
84.04487	1.5
86.00662	0.5
91.05477	7.2
93.07026	3.5
95.04943	2.5
95.08601	1.4
97.06527	5.5
98.97579	0.5
103.05457	1.0
105.03379	0.8
105.07031	8.1
106.06566	1.0
107.04952	1.7
107.08574	2.6
108.05693	0.6
109.06506	2.4
109.10136	1.1
111.04456	0.7
113.41922	0.5
115.05443	2.4
117.07020	4.7
119.04958	1.0
119.08574	10.3
121.06495	4.2
121.10117	0.7
123.08047	2.9
128.06216	1.6
129.06996	4.7
130.07774	2.0
131.04919	1.2
131.06851	0.8
131.08553	7.7
133.06471	0.7
133.10112	1.3
135.08047	100.0
136.06126	0.8
136.08385	1.5
137.05991	3.1
139.07520	1.0
141.06956	4.3
142.07800	0.7
143.08537	2.5
144.05707	0.9
144.09332	4.2
145.06477	4.0
145.10126	7.5
147.04399	0.6
147.08058	2.4
147.11679	1.9
149.09650	0.9
149.13115	0.6
151.07541	2.2
153.06920	1.0
154.07761	2.4
155.04935	0.6
155.08525	2.5
156.09338	8.2
157.06488	3.5
157.10091	1.2
158.07277	5.4
159.08051	7.0
159.11685	18.6
160.12039	0.6
161.05945	1.4
161.09596	1.9
163.07582	0.8
163.11227	1.0
169.10132	4.9
170.10896	1.0
171.08025	1.0
171.11696	4.1
172.05219	2.2
172.08830	19.2
173.05945	1.7
173.09622	24.9
173.13260	1.0
174.06679	0.8
174.10239	1.2
175.07567	2.2
176.04694	1.0
177.05515	0.6
177.09108	0.8
182.07376	0.6
187.07570	2.3
187.11174	36.9
187.14751	1.3
188.11484	1.1
189.09177	1.4
189.12746	2.6
191.07065	0.6
191.10657	2.0
197.09584	1.3
200.04721	1.2
200.08354	1.0
201.05519	0.7
201.09009	0.9
205.08730	0.7
205.12267	1.5
215.07106	2.1
215.10657	19.8
215.14116	1.2
218.05687	0.6
233.08141	3.8
233.11719	14.7
233.15179	3.6
233.19104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.02384	0.6
53.03931	1.1
55.01869	1.3
55.05496	2.6
56.96542	0.9
59.04985	1.1
65.03914	1.0
65.80663	0.5
67.05513	3.7
68.99770	1.0
69.03430	3.0
69.07063	3.3
71.04986	2.0
71.59093	0.9
79.05489	6.8
79.88081	0.6
81.07059	5.0
83.04948	1.5
87.00870	0.7
91.05482	13.0
93.06536	0.8
93.07047	7.2
95.04953	4.5
95.08590	2.3
97.02866	1.0
97.06507	3.4
99.04464	4.9
103.05441	1.3
105.07032	22.8
107.04966	5.4
107.08594	5.4
108.66332	0.6
109.06509	3.1
109.10175	1.0
109.27594	0.5
111.04435	0.7
111.08077	0.8
115.05456	3.4
116.06226	1.2
117.07013	10.7
119.04931	2.7
119.08572	8.4
121.06508	7.4
121.10153	3.2
123.04370	0.8
123.08007	0.8
123.11703	0.7
125.06035	0.8
127.07513	0.7
128.06223	2.4
129.07022	4.5
130.07771	8.7
130.90613	0.6
131.04929	1.0
131.08572	9.1
133.06468	2.1
133.10088	3.2
135.04373	1.0
135.08034	2.5
135.11688	1.5
137.05972	7.4
137.09598	1.7
141.06981	2.4
142.07730	1.0
142.63152	0.6
143.08571	5.6
144.05675	1.7
144.09332	2.8
145.06467	5.2
145.10123	40.9
146.32727	0.7
147.08026	2.6
147.11679	6.7
149.05977	1.3
149.09596	2.9
153.06976	0.6
154.07771	1.3
155.08551	1.7
157.10120	1.4
158.07257	4.0
159.08102	4.1
159.11691	12.2
160.05156	1.6
161.05948	3.7
161.09631	1.6
163.07491	1.1
163.11180	13.9
169.10141	3.9
171.11684	1.2
172.08844	1.6
173.09622	100.0
173.13295	1.7
174.06787	1.0
174.09967	2.8
175.07553	1.3
176.04637	1.4
177.05281	0.9
177.09102	1.3
177.12692	0.8
179.08560	0.8
187.07512	1.6
187.11172	17.4
187.14774	2.3
189.05237	0.8
189.09117	2.0
189.12764	2.9
190.98688	0.7
191.03386	0.7
191.06998	1.0
191.10677	4.4
191.14314	0.7
197.09636	2.4
205.08528	1.1
205.12199	3.1
205.15878	0.8
215.07059	1.7
215.10640	10.9
215.14117	1.0
215.18036	1.2
233.08145	3.1
233.11716	17.8
233.15277	8.0
233.19087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	0.3
55.01861	0.3
55.05502	0.7
56.05028	0.8
56.96565	3.3
56.98026	0.6
57.03438	0.4
58.04195	0.2
58.99588	0.7
67.05492	0.2
68.05024	1.3
69.03426	1.2
69.07081	0.3
70.06588	1.5
70.99571	2.0
71.04980	1.0
71.15374	0.6
71.99088	0.4
72.08146	1.0
73.02913	0.4
80.05013	0.5
81.03416	0.4
81.07041	0.3
82.06580	0.9
84.04492	0.6
84.08139	0.4
84.97496	0.7
85.01121	1.0
85.02917	1.5
86.00647	0.3
86.03668	0.8
87.04441	0.3
88.03972	0.3
96.04456	0.7
97.01107	1.0
97.02892	0.4
98.06044	0.6
98.97592	0.6
99.04437	0.4
100.07623	0.2
101.00646	0.2
102.05544	0.4
106.04749	0.3
109.02879	0.2
112.02195	1.1
113.00591	2.5
114.00117	1.4
114.05560	0.4
116.07098	0.7
116.98646	0.8
119.01893	0.4
122.00655	0.3
124.02175	1.1
124.11237	0.3
126.05537	0.4
127.00910	0.4
128.07115	1.6
128.98573	0.5
131.99672	0.5
134.99677	0.6
140.01669	1.8
140.03555	0.8
142.04993	1.4
142.08681	1.4
146.99683	0.3
150.96951	0.4
160.88666	0.2
162.99106	0.3
168.01102	1.2
169.01488	0.4
170.08168	1.3
170.11786	1.2
174.99174	0.5
185.03845	0.7
186.02211	100.0
187.02396	1.4
188.07536	0.3
188.09161	1.9
188.12857	1.8
190.98705	0.5
193.00223	0.9
197.01004	0.5
208.99689	0.3
213.99594	0.6
214.01695	11.1
214.14311	0.4
215.02025	0.7
232.02779	3.1
232.04811	0.5
232.11674	0.6
232.15359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08987	0.2
54.03460	0.3
55.05487	0.3
56.96547	0.3
56.98018	0.7
57.03448	0.4
58.04218	0.3
58.99568	0.5
68.05021	1.1
69.03413	0.6
70.06593	2.3
70.35301	0.5
70.35701	0.4
70.99588	1.4
84.97470	0.6
85.01115	0.9
85.02905	2.7
86.03673	0.4
94.05573	0.2
96.04491	0.4
97.01105	1.0
98.62186	0.2
112.02180	1.0
113.00602	1.9
114.00106	1.5
114.05534	0.4
122.00623	0.3
124.02173	0.8
124.11230	1.7
127.00845	0.5
140.01628	1.3
142.05003	1.4
150.00121	0.3
150.24182	0.3
162.06396	0.2
168.01051	1.3
170.11766	11.7
175.56213	0.2
186.02197	100.0
187.02573	1.4
188.12784	0.3
214.01683	14.5
214.14404	0.6
214.66455	0.2
232.02731	3.6
232.17108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.62296	0.5
53.03945	2.2
55.01876	0.9
55.05510	11.0
56.05029	1.4
56.96574	2.9
57.03428	0.7
57.05827	0.7
60.04549	0.5
65.68895	0.5
68.99800	0.5
69.03428	11.7
69.07076	1.2
69.49178	4.5
70.06591	1.0
71.04986	1.6
72.08156	100.0
73.08488	0.6
79.05513	0.6
81.03416	5.6
84.08203	0.5
85.02908	6.0
86.09702	4.6
87.00838	1.7
87.04504	0.6
91.05477	0.7
97.02909	2.5
98.20795	1.2
98.97598	1.8
99.04455	2.6
109.02881	2.3
113.28866	0.5
115.05473	2.0
116.98644	1.9
117.07017	0.5
119.08623	0.5
127.03896	2.7
129.07004	0.8
131.04935	1.1
132.10220	2.9
134.99690	2.0
139.03334	0.7
139.04292	0.5
143.00220	0.9
143.04962	0.8
147.08067	0.7
157.06540	0.8
158.99564	0.5
160.08911	0.5
161.01221	2.5
161.05988	1.0
164.94603	0.5
170.11809	2.3
171.04482	0.9
175.07579	1.0
176.05910	0.6
185.03827	3.2
185.07179	0.8
185.16502	0.6
186.02269	1.9
189.05496	1.0
203.02304	0.8
203.07130	1.8
203.09253	1.1
213.05563	0.9
214.01761	1.0
231.06461	2.8
231.17181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
51.12282	0.6
53.03947	12.5
55.01862	3.2
55.05503	1.6
56.05042	1.2
57.03424	3.7
57.07047	1.1
61.02922	1.8
62.53915	0.8
67.05499	1.7
68.99781	3.5
69.03427	100.0
69.07061	1.1
69.45650	0.7
71.04990	10.4
71.58351	0.9
71.58710	0.9
76.59461	0.7
79.05490	2.3
80.71187	0.7
81.03416	51.0
81.07043	2.6
82.94562	0.9
83.01344	1.9
83.04972	1.6
83.08600	1.0
85.02902	39.9
87.00822	16.1
87.04465	1.2
91.05475	4.1
93.07036	3.0
95.04960	1.6
95.08575	1.8
97.02892	27.6
99.04455	20.4
103.05489	0.9
105.01817	4.0
105.07049	3.9
105.90203	0.8
107.08596	2.3
109.02872	17.8
109.06479	1.2
111.00806	1.0
115.05454	1.7
116.98650	0.9
117.07030	1.7
119.08566	3.2
127.03918	21.3
128.06197	2.3
129.06993	1.5
131.08577	1.6
133.10120	1.3
139.03218	0.8
141.06958	2.9
142.07765	1.8
143.08556	2.8
145.04939	2.8
145.10136	3.5
147.04449	1.5
147.07991	2.2
147.11612	1.2
153.01866	1.3
156.09276	1.0
157.06415	1.0
157.10136	2.9
159.11684	1.3
160.05162	1.1
161.05980	1.0
161.09608	1.5
165.07010	0.9
170.07266	2.4
170.10916	1.9
171.02966	1.0
171.08037	1.8
171.11700	3.3
173.09668	1.0
175.07538	1.4
175.11194	1.1
183.08037	0.9
185.03856	4.3
185.05519	1.0
185.07265	4.1
185.09660	1.8
185.13274	2.2
186.02214	0.9
189.09154	1.1
189.12769	1.5
195.11719	2.3
198.10457	1.0
199.07617	0.9
212.84222	0.8
213.03920	3.0
213.12675	4.7
213.16408	1.2
231.04684	1.9
231.06767	5.8
231.10027	4.4
231.13734	5.3
231.17386	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	231.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	9.0
61.69467	0.2
67.04234	1.0
68.05030	1.3
69.03429	0.3
70.06561	0.7
70.91625	0.4
70.99584	0.3
80.05004	0.5
80.99228	0.2
83.06097	0.7
86.00666	0.3
95.06082	1.8
97.01097	0.7
98.00641	0.3
98.97583	0.4
99.01394	0.7
104.23617	0.2
105.04517	1.0
106.05260	0.8
111.98555	0.8
112.02177	1.0
113.01690	0.6
116.07101	0.3
121.01679	0.2
122.00580	0.6
124.02189	1.7
129.99585	4.7
139.03250	18.0
140.01656	0.3
141.06493	0.3
144.72408	0.3
150.00090	2.9
157.04335	0.5
167.02745	3.1
168.01147	7.2
185.03801	100.0
186.00529	0.5
186.02220	11.0
186.04044	1.1
196.00642	8.5
213.03342	0.3
214.01678	7.0
231.04356	7.0
231.06581	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	231.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07962	0.2
54.30957	0.2
56.05033	8.3
56.96567	2.4
58.99572	0.2
67.04234	1.1
68.05014	0.9
68.14780	0.2
69.03426	0.5
70.05716	1.3
70.06582	0.8
80.05006	0.7
81.03425	0.4
82.06541	0.3
83.06088	0.8
84.04482	0.4
84.08139	0.5
84.96014	0.3
85.01102	0.3
95.06099	1.7
97.01114	0.9
98.00639	0.4
98.97567	2.1
99.01420	0.5
101.00882	0.3
103.02426	0.4
105.04531	1.5
106.05296	0.9
110.97540	0.3
111.98553	0.9
112.02206	0.8
113.01703	0.4
116.98653	1.6
119.01913	2.0
121.01672	0.3
122.00623	0.5
124.02176	1.9
125.79074	0.2
128.98613	0.9
129.99583	4.3
131.01881	0.2
134.99638	1.3
137.02950	1.2
139.03253	18.6
143.00159	0.8
145.03458	0.8
146.99626	0.8
147.01410	0.3
150.00095	2.4
157.04347	0.5
161.01212	1.5
161.02910	0.7
163.04568	0.5
167.02762	3.1
168.01149	8.0
170.02589	0.3
170.08182	0.3
171.01369	0.4
173.02835	0.2
177.00737	0.4
179.02292	0.3
179.38223	0.3
185.03799	100.0
186.02191	5.2
186.04060	1.6
187.10875	0.4
189.00826	0.4
189.02469	1.8
196.00638	9.3
207.03418	0.3
213.03253	0.6
214.01689	7.1
231.04387	6.4
231.06563	0.3
231.13449	0.4
231.16006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0535
Annotation	Flonicamid
Peak:m/z	Relative Intensity
69.03424	0.8
70.72329	2.2
76.14581	0.6
79.04199	0.9
81.03397	0.6
97.02873	0.9
98.04061	11.6
115.02330	0.6
118.22756	0.7
122.02397	0.7
126.03477	2.2
128.03088	5.7
129.03879	6.3
131.02409	1.0
134.04713	3.1
135.03508	0.8
142.02937	1.0
144.02519	3.5
146.02126	10.2
147.02948	1.1
147.04395	0.7
148.03679	49.1
153.04562	1.7
155.04161	7.5
163.02979	1.0
164.03168	2.4
174.01619	64.3
175.04776	1.9
176.03174	35.5
179.01921	2.3
181.04236	0.7
183.03642	22.0
184.03806	0.8
194.04243	0.9
198.69603	0.6
203.04259	92.6
203.66931	0.7
204.04613	0.7
218.40143	0.6
220.31244	0.7
221.05260	1.1
226.41339	0.7
230.05348	100.0
231.05652	1.4
251.54347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.56963	1.9
53.03947	2.1
55.01850	2.6
55.05508	51.3
57.03431	13.5
57.07066	5.7
59.05000	12.4
65.03925	2.1
66.48956	1.7
67.05500	90.0
69.03418	10.7
69.07065	19.4
70.06586	1.7
71.04986	8.9
71.36472	1.7
71.59105	2.8
71.59517	1.8
79.05487	6.2
81.07053	25.5
83.04979	33.7
83.08623	30.6
85.06538	21.2
87.04455	4.2
91.05462	8.0
93.07043	15.2
95.04963	8.5
95.08614	15.8
97.02881	3.0
97.06499	2.5
97.10173	4.7
98.06036	2.4
99.00806	1.7
99.08078	8.7
101.06015	6.6
105.07025	8.9
107.08590	24.0
109.06526	3.2
109.10152	100.0
111.08067	6.7
115.05452	2.6
117.07021	3.8
119.08604	10.7
121.06508	1.7
121.10152	6.6
123.11694	24.0
125.09609	11.2
127.11195	15.7
128.93944	1.9
129.07033	2.3
131.08586	3.1
133.10120	6.3
135.11682	20.5
137.09621	3.4
143.08560	2.1
145.06499	2.7
145.10133	3.6
149.13258	7.7
151.11154	6.1
153.12773	6.3
155.08539	3.6
155.10664	2.3
159.11726	5.6
167.14287	21.7
169.06535	2.0
169.10077	2.1
169.12238	25.8
173.06007	2.6
173.09616	3.2
173.11739	13.6
173.13274	5.2
175.14789	5.1
185.15353	3.1
187.07384	2.4
187.11206	5.1
193.15886	13.6
201.05511	2.8
201.12613	2.1
211.14873	3.2
211.16895	30.4
214.09587	1.5
229.04878	2.8
229.08470	3.7
229.12216	7.0
229.14310	10.8
229.15933	5.9
229.19650	3.4
229.23573	3.6
236.32690	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70256	0.4
53.03940	0.6
53.73297	0.5
55.01864	1.8
55.05493	0.7
56.96293	0.6
56.96563	8.1
57.03440	2.6
58.06595	8.0
59.07371	1.8
60.08161	8.8
61.02936	3.9
64.44876	0.6
68.05016	1.6
69.03415	3.2
69.85586	0.5
70.06591	49.4
70.85784	1.5
71.04987	0.9
71.06914	0.8
72.08144	3.0
73.02904	3.3
74.06056	0.7
77.00874	0.6
81.03410	1.5
81.04537	1.3
84.04482	1.7
84.08134	1.6
84.96033	0.6
85.02911	5.4
85.08466	0.6
86.06085	0.8
86.09698	1.7
90.16607	0.5
91.03948	0.6
94.34093	0.5
95.06086	0.7
95.77755	0.6
96.08116	2.4
97.02885	5.8
98.01290	0.8
98.03193	0.5
98.06053	1.3
98.97573	4.8
99.04442	0.9
100.07606	0.9
101.00864	2.8
103.02389	0.8
104.03096	0.6
107.00198	0.5
107.01765	0.7
109.02889	0.7
109.06353	0.7
110.01293	0.8
114.05554	4.0
114.06617	1.4
114.09138	2.2
116.07079	1.7
116.98629	3.3
119.01913	17.7
120.02007	1.2
121.01629	0.8
121.03471	0.6
124.07600	4.8
126.02593	0.6
126.09164	1.0
127.03896	1.6
128.02318	1.8
128.98595	1.4
131.00166	1.1
131.01836	1.1
133.01703	1.3
133.03465	4.2
134.03456	0.6
134.99632	2.4
135.03090	1.7
136.93250	0.6
137.01949	0.8
137.02943	7.4
139.04176	1.2
140.10643	1.0
141.01245	0.8
141.10240	0.5
142.03441	0.6
142.08632	35.9
143.08952	0.7
144.99883	1.2
145.03490	0.6
146.02263	0.8
146.99622	2.4
148.03705	4.7
148.04909	4.1
148.53888	1.0
148.54948	1.2
149.01231	2.2
149.02821	0.6
150.01724	0.7
151.02690	1.0
151.04576	3.3
155.02838	1.3
156.01118	1.2
156.03563	1.0
156.53813	1.9
157.04411	4.6
158.99641	1.3
160.02029	0.8
161.01291	1.0
161.02930	1.1
163.02553	0.6
166.09810	0.9
167.02316	0.6
168.99840	1.5
170.08105	2.4
170.99712	0.6
172.95245	1.6
175.02840	0.6
175.04552	1.6
176.53423	0.6
177.00714	1.2
177.02249	1.0
183.07814	1.3
183.11320	1.3
183.14911	3.7
184.00633	2.7
186.96832	0.7
187.00922	3.5
187.02603	0.7
187.04532	2.2
189.00691	1.3
190.96216	0.9
201.00748	0.6
205.01961	0.7
205.05692	0.6
215.00388	2.8
219.01740	0.9
229.15465	100.0
230.11597	0.6
230.13789	0.8
230.15854	3.1
237.02904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01875	0.6
56.96561	2.2
57.03415	0.4
58.06308	0.4
58.06598	7.8
59.07377	1.7
60.08162	10.2
60.32242	0.3
61.02923	0.3
67.05505	0.3
68.05030	1.6
69.80914	1.9
70.06592	53.7
71.06918	0.4
72.08169	1.0
72.85249	0.3
73.02913	0.4
84.04494	0.4
84.08147	0.6
85.02881	0.3
96.04408	0.3
96.08125	2.3
97.02882	0.4
98.06055	1.1
98.97591	1.4
114.05528	5.6
114.09169	2.8
116.07086	1.2
116.98633	1.7
119.01895	2.5
123.04446	0.4
124.07592	5.1
126.09129	0.9
134.99638	1.2
137.02971	0.6
142.08630	42.0
143.09012	0.6
148.03917	0.4
148.07588	0.4
170.08156	2.3
183.14972	0.8
187.00870	0.4
199.50163	0.4
224.07942	0.4
229.15466	100.0
230.15808	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01867	1.0
55.05513	9.3
57.03154	0.9
57.03436	15.8
57.07084	1.5
59.05001	5.5
60.71294	0.5
65.03934	1.3
67.05504	100.0
68.05838	0.9
69.03433	2.2
69.07066	2.2
69.33047	1.8
69.33464	4.1
71.04996	3.8
79.05497	1.8
81.07055	12.7
83.08614	6.3
85.06557	3.2
87.04485	0.8
91.05467	7.0
93.07024	4.1
95.04984	0.9
95.08595	4.8
97.06522	0.7
99.08075	1.1
103.03957	0.9
105.07043	1.4
107.08602	2.5
109.02911	0.8
109.06516	0.7
109.10154	73.0
110.10481	1.3
111.08076	3.6
117.07042	0.7
119.08584	5.1
121.10201	0.5
125.09636	0.6
129.06990	0.5
131.08575	1.2
133.10117	1.0
137.09607	3.2
143.08623	0.9
144.09280	0.5
145.06433	0.7
145.10089	0.8
148.40996	0.6
155.08530	1.3
155.10606	2.4
158.10912	1.3
159.08102	0.9
159.11681	1.6
171.08044	0.8
173.09607	2.9
173.11736	18.2
173.13268	2.6
179.08896	0.7
183.11684	0.7
184.00835	0.5
186.10394	2.1
187.11166	4.4
188.51767	0.5
201.05414	0.8
201.12753	3.0
211.07545	0.8
211.11165	0.8
214.09775	0.6
229.05276	0.6
229.08563	1.2
229.12212	4.3
229.14345	15.4
230.12447	0.7
230.14745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Mansonone C
Peak:m/z	Relative Intensity
50.85387	0.6
51.63051	0.5
53.03944	6.6
55.01874	0.7
55.05502	2.8
57.03421	1.7
65.03928	1.1
67.05502	8.6
69.03426	34.0
69.54379	5.2
77.03920	0.9
79.05488	3.4
79.28960	0.6
81.07040	2.8
83.04960	2.9
91.05473	12.3
93.03395	2.0
93.07041	9.3
95.04964	3.9
98.21501	1.0
103.05460	1.0
105.07028	10.1
107.04937	1.7
107.08596	0.9
109.02875	21.2
109.06500	2.6
109.10150	6.0
115.05469	2.9
116.06241	1.0
117.07005	4.8
119.08578	11.1
121.06499	12.7
121.10129	1.9
128.06184	4.9
129.07013	7.7
130.07776	2.1
131.08562	18.8
133.06512	1.0
133.10127	13.4
135.04402	1.6
135.08032	1.5
141.06993	2.6
142.07826	4.5
143.08548	19.9
144.09335	9.4
145.06496	5.1
145.10124	16.8
147.08038	1.6
152.06166	0.7
153.06985	5.4
154.07779	1.0
155.08543	10.1
156.09291	1.7
157.06462	1.4
157.10118	5.2
158.07301	3.2
158.10904	22.3
159.08051	12.8
159.11694	13.3
160.08783	1.0
161.09601	1.5
167.08530	1.4
168.09317	6.7
169.10139	2.8
170.10901	12.3
171.08055	12.8
171.11661	2.2
172.08818	14.3
173.09616	65.8
173.13242	57.3
174.09900	1.2
174.13612	0.8
175.07515	2.0
178.07738	1.5
181.06531	3.0
183.11685	13.1
184.12384	0.8
185.09631	2.5
185.13239	3.1
186.10390	37.5
187.07724	4.5
187.11171	96.6
188.08408	0.7
188.11523	2.6
189.09103	0.7
193.10143	1.8
195.08076	1.9
196.08813	10.5
199.07549	3.0
201.12733	70.1
202.13058	1.3
211.11166	16.2
214.09898	7.9
229.12225	100.0
230.12489	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
54.12132	0.8
54.28223	0.8
54.41702	0.8
55.05507	11.4
57.03437	18.5
57.07068	1.4
58.14034	1.0
59.04994	5.7
65.03923	2.4
67.05503	100.0
69.07053	2.2
69.95632	4.9
71.04977	4.0
79.05492	1.5
81.07050	14.2
83.08620	6.4
85.06534	3.1
91.05476	5.8
93.07041	3.0
95.08601	4.9
95.52312	0.9
107.08577	2.2
109.10151	81.6
110.10535	1.8
111.08059	3.1
119.08567	6.1
137.09573	3.6
155.10622	2.5
159.66412	0.8
173.11737	20.2
173.13196	1.7
183.93498	0.9
229.14291	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05511	26.4
57.03421	8.2
57.07053	5.4
65.03936	4.8
67.05486	19.1
69.03409	5.5
69.07069	55.1
71.04982	8.5
71.13883	8.8
71.14223	5.0
73.02921	5.9
79.05492	13.4
81.07072	21.0
83.04965	14.5
83.08620	11.6
85.06532	7.7
85.32604	4.2
91.05474	14.2
93.07053	27.9
95.04969	15.3
95.08601	43.3
97.06519	15.7
97.10151	9.4
99.08124	4.1
100.11243	13.2
105.07001	20.9
107.04957	8.8
107.08591	48.3
109.06493	11.7
109.10145	16.7
111.08060	18.1
115.07568	6.0
119.08583	11.3
121.06465	8.5
121.10136	36.9
123.08054	16.2
123.11671	11.3
125.09609	8.6
131.08554	12.9
133.10129	100.0
135.08057	11.4
135.11681	21.1
137.09592	6.6
137.13261	7.3
139.07518	9.7
140.04652	5.7
140.08304	5.3
143.08598	3.9
145.10127	4.7
149.06010	5.7
149.09608	10.2
149.13210	12.9
151.11179	15.4
158.10896	5.4
163.14864	12.6
167.07043	94.6
173.13245	35.0
181.04918	8.3
181.15904	4.8
191.14288	28.4
209.08078	9.3
209.15346	21.6
227.16399	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	5.2
55.01859	5.7
55.05512	23.6
56.05025	3.5
57.03431	8.4
57.07070	5.7
61.83210	3.0
65.03934	3.6
67.05175	5.1
67.05508	79.5
69.07069	28.8
70.33728	12.2
71.01346	2.9
71.05003	20.7
79.05491	50.1
81.06583	5.4
81.07059	100.0
83.04972	10.1
83.08617	21.3
85.02894	7.3
85.06529	6.4
91.05487	24.5
93.07042	62.5
95.04972	11.6
95.08611	30.7
97.06519	12.2
97.10172	6.2
97.33231	3.3
105.07022	7.2
107.08592	30.3
111.08067	7.1
117.07014	13.3
119.08605	3.3
121.10147	22.9
125.09607	4.6
129.07014	3.6
131.08557	12.8
133.10132	15.1
135.11696	19.0
137.76753	2.7
138.54370	3.3
149.13243	48.0
159.11684	25.7
171.11737	4.2
177.12737	11.1
185.13228	2.8
195.13806	7.9
227.12779	6.0
227.18044	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10134	2.0
53.03934	5.9
54.04871	2.0
55.01866	7.8
55.05257	3.9
55.05506	42.7
56.60904	2.2
56.67363	2.0
56.96560	40.9
57.03439	10.8
57.07061	6.1
61.02913	7.9
65.03931	3.0
67.05500	33.4
69.03428	22.7
69.07069	26.1
69.57510	2.4
70.06573	2.6
71.04993	25.7
71.47666	3.7
73.02910	10.8
74.16359	2.0
74.48788	2.1
79.05498	16.6
81.03413	9.1
81.07056	29.9
81.34313	2.3
83.04967	9.4
83.08623	12.9
85.02901	17.8
85.06547	6.8
87.04462	4.9
90.64223	2.1
91.05477	13.5
93.07048	22.7
95.04976	12.4
95.08607	30.4
97.02890	27.8
97.06526	9.9
97.10162	6.9
98.97581	67.1
99.04458	13.4
99.08129	3.9
100.11256	21.0
103.05481	2.7
105.07034	17.2
105.76163	1.9
106.07370	2.1
107.04953	5.1
107.08589	34.6
109.02888	3.3
109.06508	7.1
109.10161	45.5
110.07136	3.3
110.10501	3.1
110.97572	4.8
111.08098	7.5
115.05444	2.6
116.98614	62.1
117.07021	3.5
119.08565	20.5
121.06514	6.0
121.10143	30.5
122.10482	2.6
123.04428	3.0
123.08037	8.8
123.11679	9.1
124.04627	6.3
125.09628	11.4
127.03905	3.5
128.02338	5.7
128.98605	10.0
131.08557	6.4
133.05168	3.6
133.10138	35.8
134.99663	48.1
135.08078	6.1
135.11690	10.5
137.02901	2.6
137.06013	2.4
137.09622	20.6
138.09987	4.4
139.11159	8.0
140.00179	2.8
140.04709	3.1
142.07738	2.4
143.00227	2.9
143.05388	2.9
143.08565	4.8
145.05107	6.4
145.10129	5.5
146.99631	13.4
147.11708	4.2
148.05316	2.1
149.09607	5.0
149.13297	4.0
151.05153	5.8
151.11166	5.9
153.00703	6.7
153.09126	3.5
155.07060	2.2
157.05205	3.7
158.05962	4.8
158.10800	2.1
158.99654	17.8
161.01279	7.4
161.02957	3.7
163.11154	3.8
163.14812	7.2
167.07042	25.7
169.05397	4.7
171.11707	4.9
173.13268	9.0
175.14842	6.0
177.00720	44.5
177.05450	4.7
178.05762	10.2
178.55777	4.1
183.03204	2.4
184.05315	2.5
187.06215	91.0
187.56355	24.7
188.06360	3.8
189.00705	2.4
191.10605	3.0
191.14279	11.4
194.08662	2.2
195.01781	4.2
195.06657	2.4
196.06747	100.0
196.56915	19.5
197.04936	3.7
197.06792	3.3
198.57027	25.3
199.06909	4.2
200.02344	5.0
201.08022	4.2
206.08792	5.9
206.59006	3.2
207.57605	12.6
209.08044	3.7
209.11621	3.8
209.15350	8.8
211.06517	2.9
215.05844	2.5
215.09323	9.2
215.59435	4.9
217.07515	7.6
219.01620	2.6
219.08685	2.9
224.09865	17.8
224.60143	5.2
226.60309	3.9
227.10370	6.9
227.12502	4.1
227.14433	4.3
227.18040	3.5
227.19949	2.7
229.07513	22.4
237.02730	4.7
247.08556	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01873	12.1
55.05509	66.5
57.03432	20.4
57.07071	14.1
59.04984	7.8
63.75460	7.1
64.20887	6.4
67.05513	19.3
69.03421	17.1
69.07064	68.4
69.60982	43.9
71.04989	21.6
73.02917	11.7
79.05488	22.5
81.07049	70.2
83.04979	62.9
83.08180	8.5
83.08620	37.3
84.00864	8.6
85.02885	8.6
85.06536	21.8
91.05469	21.5
93.07050	48.8
95.04978	36.5
95.08605	40.7
97.06544	40.7
97.10149	21.7
99.08096	18.8
100.11286	19.3
105.07028	22.2
107.08586	100.0
109.06522	35.3
109.10152	41.8
111.08105	28.3
112.81197	6.6
119.08572	13.5
121.06536	10.4
121.10169	58.7
123.08064	21.8
123.11714	24.5
125.09653	38.0
127.07548	12.8
131.08582	19.5
133.10149	48.4
135.08025	16.9
135.11696	45.6
137.12988	7.6
139.07539	20.7
139.11227	12.4
140.04723	13.9
145.10144	12.7
149.09630	16.1
149.13252	16.6
151.11171	18.5
153.09077	25.1
153.12737	7.7
155.07062	18.0
163.11194	14.4
163.14871	21.2
167.07024	30.3
173.13263	26.0
177.05482	10.1
181.04994	31.1
181.15979	14.5
182.11647	8.0
191.14372	28.7
209.15326	65.7
227.16333	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01867	8.0
55.05512	19.0
56.96557	5.9
57.03419	5.2
57.07069	7.6
59.04171	1.6
59.04996	3.5
63.34378	1.7
65.03947	9.8
67.05502	16.0
69.03421	9.9
69.07067	18.5
70.06582	3.5
71.04992	11.4
71.58315	1.7
71.58752	3.0
73.02921	41.1
73.82018	1.7
79.05494	14.3
81.03395	8.3
81.07056	16.2
82.04208	4.0
83.04985	8.4
83.08616	11.3
84.08144	2.3
85.02892	7.0
85.06531	7.0
86.09702	9.7
91.05484	14.4
93.03435	1.8
93.07043	20.7
95.04361	3.7
95.04972	69.3
95.08598	16.1
97.02895	5.2
97.06526	13.3
97.10168	6.1
99.04454	4.4
99.08096	7.6
100.11262	30.6
103.05457	5.8
104.28661	1.9
105.07031	7.9
107.04951	4.0
107.08591	25.2
107.21137	1.8
108.02119	2.6
109.06519	14.8
109.10181	8.7
110.03635	3.3
111.04417	3.2
111.08047	2.9
113.09670	1.8
115.03928	2.1
115.07549	3.3
116.98572	3.6
119.04948	3.4
119.08575	7.2
121.06518	10.0
121.10123	14.0
123.04417	13.6
123.08077	7.7
123.11687	5.8
125.02357	3.5
125.05978	7.7
125.09648	9.6
127.07561	3.3
129.05469	1.9
129.06975	1.6
130.06506	9.0
131.04927	4.6
131.08556	4.3
133.10136	14.2
134.99617	3.1
135.04376	2.1
135.08041	5.9
135.11705	4.5
136.04703	1.9
137.05937	3.0
138.03120	2.5
139.03999	1.9
139.11189	4.2
140.04683	59.7
141.05182	2.0
142.02573	3.0
145.10103	3.1
146.99670	2.3
147.11679	3.3
149.05957	6.2
149.13300	4.4
151.11154	4.1
153.09088	17.8
155.07027	50.6
156.07437	1.9
157.07614	30.0
158.05919	2.0
161.13222	2.6
163.11128	2.3
163.14839	3.3
164.49187	1.7
167.07043	41.6
171.06511	8.7
171.07904	2.9
171.10161	7.8
171.11478	1.6
173.08078	5.0
173.13277	7.6
177.00650	2.2
177.05486	7.8
179.07051	3.6
179.14322	4.9
181.04967	100.0
181.08757	3.3
181.15872	2.2
182.05145	2.6
184.05217	2.5
185.07100	3.1
187.10701	1.9
191.14252	9.9
197.15382	1.8
209.08113	22.8
209.15149	9.9
210.11269	2.1
212.04733	3.0
227.06970	2.9
227.08980	6.0
227.14311	3.3
227.16252	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	34.6
57.03423	18.1
58.88722	6.1
67.05505	89.9
69.07066	30.7
70.69372	20.9
71.04975	12.3
71.77361	5.8
79.05485	42.5
79.82654	7.0
81.07059	100.0
83.04959	7.7
83.08605	22.0
85.06433	5.6
85.54862	5.6
89.30125	5.6
91.05488	29.3
93.07040	70.2
95.04929	10.9
95.08588	31.5
97.06497	13.2
97.10168	6.6
99.08065	6.7
100.11255	9.7
105.07008	6.5
107.08598	38.5
111.08080	12.4
117.07016	12.8
121.10127	22.8
124.47125	5.9
125.09497	8.1
126.09129	5.9
131.08539	16.4
133.10123	11.7
135.11659	13.8
142.75395	5.6
149.13263	51.3
159.11685	29.2
177.12755	8.7
195.13861	9.1
227.17987	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.3
55.05515	72.1
56.96559	23.3
57.07079	11.7
58.83884	5.5
67.05502	42.5
69.03407	6.9
69.07074	36.3
69.51083	51.7
71.04987	10.5
71.08618	6.1
75.96532	5.4
79.05498	56.3
81.07062	44.9
83.04944	11.7
83.08636	36.2
91.05479	28.8
93.07045	57.9
95.04956	23.5
95.08611	57.4
97.10177	30.6
100.11244	23.2
103.05474	8.1
104.00055	5.6
105.07015	24.9
107.04988	29.3
107.08569	54.6
109.06513	9.7
109.10146	9.4
115.90331	5.8
117.07030	14.4
119.08555	22.9
120.05591	5.8
121.06522	12.2
121.10138	30.6
123.69043	6.4
125.09618	23.8
128.06177	8.2
129.07002	11.2
131.04932	12.3
133.06523	13.3
134.99657	8.4
135.11685	49.5
142.07805	7.9
143.08562	18.3
145.10098	37.8
149.06049	9.3
156.26704	5.5
157.06496	18.1
157.10106	11.8
163.11172	81.7
167.07040	45.9
171.11684	11.3
177.05496	10.9
181.04890	6.1
181.12212	18.9
183.08006	7.5
185.09558	7.1
185.13245	10.3
189.04388	11.0
189.11157	13.4
199.07561	33.5
199.11293	14.3
209.09787	6.5
227.06876	15.3
227.10533	27.9
227.12772	100.0
227.14854	5.8
227.17943	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Stagonolide
Peak:m/z	Relative Intensity
55.01867	10.8
55.05499	26.6
57.03426	6.3
67.05506	34.7
69.07055	13.6
69.38168	25.6
69.38598	29.5
79.05477	43.6
79.61088	5.4
81.07051	41.4
83.08607	18.5
91.05460	14.7
93.07059	50.6
95.04964	5.4
95.08604	62.4
97.10136	8.3
99.04433	6.6
100.11229	6.0
105.07002	16.6
107.04947	16.6
107.08620	44.8
117.06988	13.4
119.08597	13.5
121.06550	8.1
121.10127	16.7
135.11678	60.1
145.10107	38.7
163.11179	91.1
178.63849	5.5
181.12250	15.8
221.89555	8.1
227.12753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.61758	9.1
55.01873	21.6
55.05516	73.2
56.96560	18.3
67.05515	47.7
67.45064	11.5
69.07059	30.3
71.32382	10.2
71.32713	25.6
79.05485	68.8
81.07053	49.5
83.04982	17.3
83.08624	32.5
90.11008	10.3
91.05492	34.5
91.19970	10.6
93.07031	80.5
95.04943	20.3
95.08627	63.9
97.06532	9.8
97.10147	13.9
98.97604	11.4
100.11262	22.8
105.07034	24.4
107.04942	13.4
107.08604	48.7
116.98618	19.9
119.08585	30.5
121.06557	15.8
121.10149	16.5
125.09571	12.2
131.04932	12.7
134.00815	10.0
134.99687	11.3
135.11679	62.2
139.21297	11.4
143.08511	16.9
145.10124	48.6
149.05936	15.8
163.11171	87.0
164.11624	10.9
167.07063	54.1
171.11655	11.4
181.12244	23.9
209.11722	11.5
227.06883	13.4
227.10695	22.3
227.12628	100.0
227.17896	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02370	0.5
53.03936	1.3
55.01855	1.5
55.05497	1.3
56.96560	0.6
65.03934	0.6
67.05517	0.6
69.07051	1.4
70.87702	1.3
72.87540	0.5
73.02882	0.5
77.03911	0.5
78.04704	4.3
79.05487	3.2
81.07037	1.0
85.02866	0.6
89.03909	1.3
91.05482	6.8
93.07044	3.9
94.04176	0.8
95.04967	3.7
97.10181	0.5
103.05465	6.7
105.03399	0.6
105.04520	0.8
106.04173	2.5
107.04955	3.2
109.06499	1.0
117.03378	1.4
119.01923	0.7
119.04975	2.1
120.05692	0.9
121.06512	13.9
122.03647	1.3
123.04434	9.4
124.05224	3.6
131.04915	7.6
133.02869	1.5
134.03645	2.9
135.04414	1.9
137.05972	9.7
138.03084	0.7
140.04694	2.9
145.02797	0.9
146.67459	0.5
147.04463	0.7
148.05173	1.6
149.05989	15.8
151.03899	2.0
152.04703	2.1
155.07040	1.4
159.04398	3.8
162.03113	0.5
163.03929	2.7
163.07442	0.4
165.05510	1.3
167.07040	100.0
168.07422	2.3
176.04729	0.5
177.05478	24.9
178.05925	0.8
181.08627	1.6
191.07059	1.2
194.05666	0.9
209.08060	4.7
228.59833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
53.03942	4.7
55.01856	4.8
55.05509	30.9
55.43282	1.6
56.96558	2.8
57.03430	6.2
57.07070	2.8
57.92980	1.3
59.04990	1.5
65.73995	1.4
67.05505	20.5
69.03422	6.6
69.07067	9.5
69.62016	1.4
71.04977	4.3
79.05492	26.4
81.03416	100.0
81.07051	31.1
83.04979	25.7
83.08617	32.0
85.06535	3.2
91.05476	32.5
93.07040	14.8
95.04969	37.3
95.08604	14.1
97.02885	3.1
97.06536	4.4
97.10170	6.3
97.67375	1.5
98.21532	3.0
99.04439	1.9
99.08102	2.9
105.03387	7.6
105.07025	22.3
107.04956	9.2
107.08610	8.6
109.06505	6.7
109.10165	5.1
111.04425	3.7
111.08096	11.0
115.05456	2.1
117.07008	2.4
119.08576	13.4
120.05630	3.1
121.06535	3.2
121.10142	9.5
123.08047	3.3
125.09628	2.8
129.07002	14.0
131.08582	11.0
133.06509	3.4
133.10124	8.6
135.08037	1.7
137.09631	2.8
142.07780	2.8
145.10149	2.0
147.08052	4.4
147.11694	12.5
149.09604	6.8
157.10121	12.8
165.09140	1.6
165.12761	3.3
169.10144	1.7
175.11191	13.6
189.16428	2.2
191.97058	1.5
193.12239	36.7
207.13762	1.9
225.09229	2.6
225.12755	3.4
225.14711	16.1
226.09871	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03934	1.9
55.01870	3.0
55.05511	11.3
56.96561	3.6
57.03431	3.7
57.07075	9.1
59.04998	2.8
60.27347	1.4
65.53822	1.5
67.05503	9.5
67.54594	1.7
68.99727	1.6
69.03415	5.7
69.07069	9.0
71.01341	5.3
71.04993	43.7
71.12718	3.9
79.05505	9.4
81.03405	4.3
81.07050	22.1
83.04977	17.0
83.08628	9.3
85.02903	4.1
85.06531	4.5
91.05479	26.4
93.07050	9.6
95.04976	8.1
95.08610	20.5
97.06533	15.7
97.10163	2.2
99.04456	100.0
99.08079	6.4
105.03394	8.4
105.07027	10.8
107.04942	4.4
107.08589	44.2
109.06515	32.2
109.10168	7.5
111.04449	6.3
111.08069	2.3
111.11708	2.8
113.09633	5.1
116.98632	2.1
118.04129	3.2
119.04950	17.9
119.08570	7.1
120.05559	2.8
121.06510	3.5
121.10149	18.0
123.04434	3.8
123.08072	30.5
123.11707	18.8
125.05976	3.8
125.09632	12.0
126.48273	1.5
127.07550	3.9
131.08543	3.1
132.02164	1.7
133.02844	3.7
133.10115	2.6
135.04346	1.7
135.11682	2.9
137.05995	2.2
137.09634	2.3
137.13237	4.8
139.11139	4.0
147.04422	16.6
147.11673	9.9
149.02309	3.6
149.09633	12.9
151.07568	5.1
153.07004	3.3
155.07077	2.0
161.13257	3.6
163.03923	1.7
163.11183	3.7
164.04721	2.4
165.05556	1.6
165.12746	13.8
167.07004	7.5
167.10684	21.5
169.10103	2.9
171.11766	2.0
175.03905	22.6
179.07146	2.1
179.08638	2.3
179.14352	4.5
180.04250	1.7
181.06474	5.8
183.06503	2.5
183.11636	2.4
183.12035	3.0
183.13802	34.8
189.12802	4.7
192.04149	6.4
193.04951	3.6
207.06517	26.1
207.08359	2.7
207.11957	2.2
207.13727	8.6
225.09154	3.5
225.12729	2.3
225.14833	12.7
226.09692	3.4
229.02177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.70782	1.6
55.05516	4.4
56.96548	1.8
57.07087	2.6
67.05510	6.1
69.03424	8.5
69.07058	8.2
71.05003	8.9
71.12761	4.0
74.07271	1.8
79.05486	7.4
81.07060	17.9
83.04977	4.8
83.08607	2.3
85.02904	44.1
85.06547	2.6
91.05467	16.6
93.07043	5.5
95.04974	9.4
95.08605	8.8
97.02916	2.3
97.06530	7.8
99.04462	19.7
99.08207	1.6
105.03377	3.1
105.07024	9.5
107.04949	4.0
107.08607	7.3
109.06513	40.2
109.10162	9.1
111.08125	3.2
117.03390	1.8
119.04959	8.5
119.08562	9.3
121.06625	2.1
121.10139	9.5
123.04435	4.7
123.08082	12.3
123.11703	35.0
125.05988	5.3
125.09645	1.8
131.08577	2.0
133.06540	2.0
133.10056	1.9
135.11710	2.4
137.09572	3.8
139.11176	1.6
140.10674	1.8
145.02876	3.3
145.10147	2.1
147.04405	7.1
147.08064	3.0
147.11745	4.5
149.09619	100.0
150.09944	2.7
151.03929	2.1
151.07530	8.4
151.11221	2.5
161.01183	2.6
161.13168	1.8
163.11258	1.8
165.12817	3.0
169.08769	2.2
171.11681	1.6
175.03922	10.4
177.05484	3.6
179.14439	2.1
183.06502	2.9
189.12796	7.3
192.04172	2.9
207.06471	8.8
207.13803	15.0
225.14841	20.7
226.09874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05492	1.9
57.07057	1.6
63.96415	0.9
67.05505	4.9
69.03413	1.6
69.07079	1.6
70.14981	4.1
71.04993	1.7
79.05488	2.9
79.53913	0.9
79.93506	0.9
81.07055	19.6
83.04951	1.1
85.02905	100.0
91.05474	3.6
93.07008	2.6
95.08576	4.6
102.65023	0.9
105.07024	2.0
107.08614	5.3
109.06509	2.6
109.10142	8.9
111.04485	1.2
114.95551	0.9
116.98728	0.9
119.04947	0.9
119.08578	3.4
121.10124	10.3
123.08053	2.4
123.11703	66.2
125.05982	7.3
125.09583	1.6
131.08537	1.3
139.11194	1.4
143.43547	1.0
147.04398	1.8
147.08012	2.3
147.11685	2.3
149.09616	7.7
151.07581	1.1
161.13168	1.7
167.10742	1.9
168.82973	1.2
169.08658	1.0
175.03896	2.5
188.48988	1.0
189.12764	4.2
192.49519	1.1
207.06522	4.2
207.13817	9.8
225.14870	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03947	7.7
55.01852	5.1
55.05513	41.2
56.96561	5.4
57.03438	11.3
57.07072	5.4
59.04960	1.6
65.03953	2.8
67.05505	46.8
69.03452	10.3
69.07068	34.8
69.31071	8.8
69.31502	7.0
71.04988	6.0
73.06553	2.1
74.62849	1.6
79.05496	43.7
79.05955	2.6
81.03417	100.0
81.07060	45.1
83.04982	48.3
83.08614	7.1
85.02914	2.6
85.06535	3.2
91.05481	42.1
93.07042	39.5
95.04971	31.0
95.08607	39.8
97.06522	10.7
97.10165	9.6
99.04465	4.6
103.05489	1.5
104.08929	1.4
105.03393	6.5
105.07030	29.7
107.04967	14.8
107.08611	14.1
109.02882	2.4
109.06515	9.8
109.10149	6.9
111.08127	2.9
115.05426	2.1
117.07032	5.1
119.08587	24.3
121.06509	15.6
121.10117	13.0
123.08078	9.0
123.11739	1.9
129.06985	12.0
131.08563	7.3
133.06496	2.3
133.10126	15.7
135.08073	1.8
135.11665	4.1
137.09642	3.9
139.11192	3.0
143.08574	7.9
145.10127	11.2
147.08046	4.6
147.11697	13.1
149.09671	2.5
157.10170	2.2
159.11668	3.2
161.09612	2.1
161.13234	11.0
163.11185	4.7
165.12756	1.6
169.10188	1.9
171.11684	22.5
179.14333	4.5
180.17395	1.7
183.11722	1.9
189.12749	10.6
193.12343	3.6
207.13789	59.9
210.12503	1.4
225.09189	2.7
225.14835	36.8
225.16866	2.5
226.09789	3.1
243.09218	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	225.1485
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
53.03937	3.8
55.01864	4.0
55.05268	2.0
55.05513	30.2
57.03429	5.1
59.04986	1.5
67.05505	22.9
69.03426	5.0
69.07070	6.8
69.41269	11.1
71.04980	3.4
79.05070	1.4
79.05495	23.7
81.03418	100.0
81.07057	23.3
83.04984	28.8
83.08145	2.0
83.08618	29.5
85.06537	3.7
91.05483	26.0
93.07041	14.3
95.04967	35.5
95.08612	8.8
97.02881	3.4
97.06523	4.8
97.10150	6.9
98.13615	1.1
99.08103	1.6
105.07027	20.0
107.04948	8.0
107.08562	5.5
107.15638	1.2
109.06509	2.9
109.10142	1.8
111.04460	3.0
111.08069	12.4
115.05441	1.3
117.07037	1.3
119.04927	1.4
119.08588	14.9
121.06427	1.4
121.10126	6.1
123.08006	2.8
124.31329	1.2
125.09644	1.5
129.06998	12.4
131.08553	10.0
133.06468	4.2
133.10158	7.9
137.09564	1.9
142.07796	1.8
147.08032	3.9
147.11703	12.1
149.09656	5.7
153.85342	1.3
157.10107	14.6
162.47568	1.1
165.12730	4.1
175.11171	15.5
193.12253	36.1
225.14760	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.8
59.35491	0.3
59.84669	0.3
70.82583	0.5
74.28784	0.3
81.03436	0.3
82.99851	0.7
84.96056	0.9
95.08585	0.4
95.52224	0.3
101.00874	4.2
105.03371	0.5
116.98664	0.5
119.01918	47.9
119.26804	0.3
119.96495	0.3
120.01985	1.3
121.01682	0.3
122.97816	0.4
134.99883	3.0
137.02954	27.8
138.03030	0.6
140.98811	0.7
142.03506	1.7
148.57681	0.3
149.99207	0.4
153.00949	4.6
158.99860	2.8
160.04587	0.7
175.03043	0.8
176.02536	0.5
177.00951	100.0
178.01033	7.4
179.01166	1.2
182.99806	1.5
193.04074	2.0
195.01991	2.9
199.03004	0.3
200.02547	2.9
201.00928	3.1
201.02512	0.7
202.00949	0.5
202.05536	0.4
202.09163	0.4
217.01978	0.6
217.04079	10.8
218.03810	1.2
219.01997	86.0
219.94714	0.4
220.02132	10.4
221.01881	1.3
224.02644	0.3
225.00803	3.2
227.04144	0.4
237.03168	0.5
237.95596	0.5
240.05638	0.5
242.03641	4.1
243.01912	10.1
243.10634	0.4
244.02220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03933	0.7
55.01878	1.8
55.05509	6.8
56.96563	0.3
57.03439	0.2
57.07041	0.3
59.05016	0.3
65.03919	0.9
66.04697	0.6
67.05507	6.5
69.03408	0.5
69.07067	6.1
70.05601	1.0
71.04964	0.6
77.36392	0.2
79.05490	3.9
80.77499	0.2
81.03415	12.9
81.07054	4.3
83.04976	0.9
83.08220	0.3
83.08627	3.0
85.02903	0.4
85.06522	0.2
87.04449	0.3
87.08111	0.6
91.05461	2.7
93.03403	0.3
93.07044	3.5
94.04182	4.9
95.04965	17.6
95.08613	2.0
96.05318	0.2
97.02892	0.3
97.06507	1.0
103.05484	0.2
105.07025	1.9
107.04951	6.0
107.08598	1.3
108.05732	0.2
109.06544	1.4
109.10123	0.4
111.08102	0.5
115.05427	0.3
117.02626	0.2
117.06998	1.8
119.08567	1.1
121.06472	0.9
121.10140	0.4
123.08062	0.9
129.06963	0.3
131.08563	1.6
131.44319	0.2
133.10136	0.4
135.08047	0.5
135.11652	0.5
141.06999	0.3
143.08554	0.3
145.06476	0.4
145.10133	0.7
147.07999	0.3
149.02324	0.7
149.09616	0.2
159.11653	0.3
161.09627	0.3
163.11243	1.1
169.10168	0.2
177.12663	0.3
179.08546	0.2
187.11227	0.3
205.12222	1.9
223.13277	100.0
224.13596	3.2
225.04236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	1.7
55.05509	8.3
56.96572	0.6
57.03430	0.4
57.07053	0.3
64.95106	0.2
65.03941	0.5
66.04711	0.6
67.05502	6.2
69.03416	0.6
69.07069	6.4
69.50858	1.8
70.07384	0.2
71.04978	0.5
79.05493	4.4
79.98849	0.2
81.03416	12.6
81.07051	4.2
83.04953	0.9
83.08207	0.3
83.08619	3.1
85.06517	0.4
87.08100	0.7
91.05468	2.4
93.07034	3.0
94.03593	0.4
94.04177	4.7
95.04967	13.4
95.08619	1.9
97.02862	0.3
97.06539	0.5
105.07027	1.4
107.04952	6.3
107.08581	1.1
109.06493	1.0
109.10135	0.4
111.08066	0.4
112.80909	0.2
117.07012	1.6
117.36866	0.2
119.08577	0.6
121.06525	1.2
121.10122	0.6
123.04400	0.3
123.08063	0.6
129.07043	0.3
131.08603	1.4
133.10118	0.4
135.08101	0.5
135.11694	0.3
141.06921	0.2
143.08510	0.4
145.06503	0.3
145.10100	1.0
147.08043	0.3
149.02304	0.7
159.11700	0.6
163.11118	0.4
195.09749	0.3
195.11551	0.3
205.12238	1.7
223.13280	100.0
224.13606	3.8
225.04291	0.8
227.02338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1079
Annotation	N5-Phenyl-L-glutamine
Peak:m/z	Relative Intensity
50.22232	0.5
50.23552	0.5
53.03943	1.4
55.05511	1.1
56.05032	4.4
56.96570	1.8
57.07077	1.1
67.05514	2.1
69.03427	1.2
69.07063	1.1
71.05003	0.7
71.58612	0.6
72.08154	0.9
77.03912	0.5
79.05507	1.9
81.03386	0.5
81.07058	1.7
83.04980	1.8
84.04507	100.0
85.02917	4.1
85.04842	0.9
91.05441	2.4
92.05024	1.1
93.07040	2.4
94.06571	88.7
95.04986	4.1
95.06908	1.1
95.08636	1.8
97.02868	0.7
97.06544	0.8
98.97601	1.8
102.05538	2.2
103.05449	0.7
105.04510	0.6
105.07029	1.3
107.04965	1.6
107.08607	1.9
109.06522	1.1
109.07632	0.8
109.10162	0.8
111.08086	0.6
116.98637	1.6
117.07049	1.3
119.08555	1.5
120.04479	1.2
121.02869	1.1
121.06532	2.4
121.10146	1.6
122.06976	0.6
123.04406	1.0
123.08101	1.1
123.11735	0.9
125.09673	0.6
130.05009	31.5
130.06549	1.2
131.04900	0.7
131.06888	2.7
131.08548	0.9
132.05721	0.5
133.04756	0.7
133.10118	1.5
134.99675	1.8
135.08078	1.3
135.11685	0.7
137.05933	0.7
137.09579	0.7
139.07504	1.1
145.06459	0.6
145.10164	0.7
147.04434	0.7
147.08116	0.6
149.02354	3.9
149.06004	0.7
149.07973	0.5
158.99643	0.6
159.06342	1.1
159.09203	1.3
159.11688	1.3
160.07622	0.7
163.03897	1.5
163.07475	0.6
163.11223	1.2
167.07053	0.7
167.08438	0.6
177.00682	1.2
177.05492	1.1
177.07404	1.0
177.10263	1.5
177.12793	0.8
192.35281	0.5
193.10205	0.5
193.12242	0.6
195.08069	0.7
205.10242	0.7
205.12137	2.6
206.06293	1.0
206.08148	14.1
208.03647	0.6
223.06071	1.8
223.11021	3.0
223.13327	7.2
223.16846	3.5
225.04300	13.0
227.02240	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0965
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03954	1.8
55.01873	1.1
55.05506	2.7
56.96568	1.4
57.03428	1.0
57.07076	1.4
61.44294	0.5
65.03954	1.3
67.05517	3.3
69.03429	1.5
69.07066	3.3
69.54355	3.4
69.54763	1.3
70.06598	0.6
71.04995	1.0
78.04713	0.5
79.05486	3.3
80.08323	0.6
81.03405	3.1
81.07066	3.1
83.04977	2.6
83.08626	1.1
85.02899	2.9
85.06547	0.8
91.05476	12.9
91.06002	0.8
93.03426	2.0
93.07040	4.4
95.04948	3.2
95.08620	3.2
97.02873	0.7
97.06542	1.2
98.97592	0.7
103.05478	2.6
105.03394	3.5
105.07038	3.8
107.04955	1.8
107.08597	5.1
109.06519	2.0
109.10168	1.4
111.04427	1.5
111.08086	1.1
115.05453	33.4
116.06226	2.1
116.07044	0.5
117.07017	64.8
118.07343	1.0
119.01289	3.2
119.04961	1.1
119.08562	2.6
120.08128	0.6
121.02847	1.3
121.06489	3.1
121.10135	3.8
123.04457	0.6
123.08080	1.8
123.11703	1.0
125.05971	1.0
125.09650	1.9
127.05450	0.7
129.07106	0.6
131.04930	2.7
131.08557	1.6
133.06487	1.7
133.10141	1.1
134.03586	0.5
135.04391	1.7
135.08037	1.5
135.11696	2.5
137.05968	0.7
137.09605	1.9
139.07520	1.4
141.06932	0.6
143.01842	0.6
144.05717	1.2
145.06487	72.9
145.10127	2.2
146.06815	0.8
147.04399	0.8
147.11597	0.6
148.05226	1.6
149.02336	4.4
149.05952	6.6
149.09615	1.3
149.13242	0.7
155.06100	0.9
159.08080	1.0
159.11673	1.7
161.05968	1.6
162.03081	1.7
162.06784	1.2
163.03854	1.4
163.07529	1.8
163.11183	2.6
165.09131	1.0
167.05740	0.6
167.07033	2.4
167.08376	0.8
172.05257	1.2
173.05984	100.0
174.06544	4.1
177.05467	1.1
177.09132	1.4
177.12703	1.3
177.16357	0.6
181.12210	1.0
187.11200	0.6
187.14816	0.8
189.05518	1.5
190.02594	2.0
190.06244	6.6
191.03320	0.6
191.07025	1.3
193.12271	0.7
195.06467	0.7
195.08109	1.0
205.08597	94.7
205.12143	3.6
206.08955	1.2
208.03665	1.8
223.06320	5.3
223.09625	58.3
223.13235	3.1
223.16841	5.2
223.20602	0.6
224.09993	1.6
225.04254	6.0
227.02155	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	2.7
54.94627	0.5
55.05507	1.3
61.43861	0.5
63.02380	0.6
65.03938	1.2
66.34185	0.5
67.05499	1.9
69.03429	1.1
69.07047	1.2
70.44694	1.9
71.04999	0.7
71.41000	0.5
74.31722	0.6
75.19161	0.5
77.02288	0.5
79.05493	2.6
81.03410	2.6
81.07059	3.6
83.04963	1.2
83.28999	0.5
85.02892	0.7
91.05480	12.1
93.03410	1.2
93.07035	2.8
95.04964	2.6
95.08606	2.4
97.02897	0.7
97.06545	0.8
103.05460	2.4
105.03390	2.6
105.07038	2.1
105.82552	0.5
107.04944	1.4
107.08593	2.1
108.93589	0.7
109.06506	1.1
109.10149	1.5
109.41651	0.6
110.10329	0.7
111.08088	0.8
115.05453	33.8
116.06223	2.0
117.07018	66.6
118.07328	1.1
119.01308	2.4
119.08576	0.8
121.06503	2.0
121.10148	1.9
123.08025	0.7
125.09656	0.5
129.06973	0.6
129.66829	0.5
131.04915	2.3
131.08524	0.6
133.06502	1.4
133.10117	0.8
134.07265	0.9
135.04451	0.6
135.08041	1.5
135.11687	0.7
137.09654	0.7
141.06918	0.7
144.05696	1.2
145.06487	68.0
146.06816	1.6
147.08040	0.8
147.11685	0.6
148.05226	1.1
149.02339	2.6
149.05980	3.5
149.09653	0.9
149.13229	0.7
155.06021	1.3
159.11642	1.3
161.06036	1.0
162.06819	1.4
163.03854	0.5
163.07545	0.8
163.11163	1.1
163.14807	0.9
165.12793	0.6
167.05782	0.5
167.10735	0.7
171.04465	0.8
172.05231	1.1
173.05986	100.0
174.06638	2.6
177.09174	0.9
181.12317	0.8
189.05472	1.4
190.06255	7.9
191.07069	0.9
205.08601	93.4
206.08940	2.2
223.06024	2.0
223.09648	56.6
223.13264	2.1
223.16879	1.7
224.09978	1.3
225.04292	2.9
227.02144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
55.99160	0.4
56.96578	0.8
61.55816	0.4
64.95544	0.3
65.03936	0.5
67.05505	0.6
69.03416	0.4
70.06600	0.5
72.46402	0.4
73.88213	0.4
78.99785	0.4
79.05511	0.5
80.05018	0.4
85.02911	1.2
91.05475	0.9
93.07039	1.2
94.06585	0.4
95.04970	1.1
95.08607	0.6
103.05474	2.6
104.05006	0.5
104.39149	0.4
105.07040	0.7
106.06585	0.7
107.04950	0.6
107.30163	0.4
115.05452	0.5
116.98652	0.5
118.06562	0.9
119.08585	0.5
120.08118	12.4
121.06507	6.7
121.10107	0.5
122.06974	0.5
123.04430	0.6
129.12108	0.4
130.06534	100.0
131.04932	1.2
131.06911	2.3
132.04460	17.1
133.06548	0.5
135.04433	0.8
135.08002	0.5
138.09152	0.7
146.06082	0.6
148.07579	28.0
149.02321	0.8
149.05965	0.4
149.08002	0.6
158.06023	29.7
159.06398	1.1
161.06160	0.5
162.05554	1.1
163.03865	0.9
163.09749	0.5
165.09113	0.5
176.07082	69.2
177.05525	0.4
177.07384	1.2
178.04893	0.7
178.08627	0.5
180.06529	0.6
194.68137	0.4
204.06596	1.4
204.10323	0.6
205.05043	0.6
222.03897	1.3
222.07602	5.0
222.11185	1.9
222.15125	0.5
223.06000	0.6
225.04337	1.9
227.02209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.5
70.12980	1.5
70.13332	0.5
77.03899	0.3
83.36485	0.3
91.05503	0.3
93.07066	0.3
98.97599	0.8
102.66167	0.3
103.05457	1.0
105.07024	0.4
106.06518	0.7
115.05460	0.3
116.98625	0.9
117.39312	0.3
118.06506	0.6
120.08111	11.3
123.32135	0.3
130.06522	100.0
131.06862	2.8
132.04451	17.8
133.04805	0.4
134.99684	0.3
146.05957	0.7
148.07567	28.0
149.07918	0.6
158.06007	30.0
158.99612	0.4
159.06380	1.4
171.06821	0.3
176.07065	73.6
177.00729	0.6
177.07468	1.8
199.88480	0.3
204.06570	1.9
207.16319	0.3
222.07593	3.5
222.14905	0.7
225.04436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.00294	1.8
53.03933	3.4
53.50477	1.5
55.05509	16.1
56.96566	1.5
57.07067	7.3
59.04993	1.9
64.00698	1.4
65.03933	1.9
66.00014	1.6
67.01865	2.8
67.05505	15.6
69.07071	21.9
70.84263	3.0
71.04999	26.4
71.32680	1.5
79.05496	20.2
81.07060	82.2
83.04985	1.9
83.08607	7.6
85.06545	2.4
91.05479	22.3
93.06470	3.3
93.07047	49.9
95.04955	4.2
95.08611	45.5
97.06538	3.9
97.10192	4.0
99.08088	4.0
105.07029	35.6
107.04968	6.7
107.08596	74.7
109.06509	4.6
109.10160	30.8
110.10438	1.7
111.08086	5.2
111.11691	3.9
115.05452	3.3
117.07027	2.0
119.04903	1.6
119.08584	51.8
121.06483	2.3
121.10131	11.7
123.08049	6.1
123.11703	22.1
125.09650	2.3
127.11221	3.1
129.06931	1.7
133.06496	5.1
133.10135	30.4
135.08037	4.5
135.11693	100.0
137.09622	16.0
137.13246	6.1
139.11203	1.8
145.10187	1.8
147.04375	1.6
147.07993	2.5
147.11690	31.8
149.13257	13.8
151.11182	7.6
159.11726	2.3
161.05991	3.9
161.09651	4.9
161.13255	12.0
163.14821	7.1
165.05489	16.6
165.12740	4.8
167.03358	3.0
175.14856	5.7
177.12761	35.2
177.16370	3.8
179.14276	1.7
193.08653	2.1
193.15956	1.9
203.17958	46.4
206.16229	4.2
221.06165	1.7
221.08109	3.9
221.11673	8.2
221.15399	4.1
221.19017	61.8
222.18604	3.0
239.19096	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.01878	0.5
55.05507	0.6
56.96564	2.3
59.08009	0.3
67.05500	0.6
69.03420	0.5
69.07101	0.4
70.06567	0.5
71.58047	0.7
79.05482	0.8
81.03409	0.6
81.07059	0.6
85.02892	0.8
86.33872	0.3
91.05458	0.7
93.07023	0.7
95.08625	0.6
97.02885	0.7
98.97583	1.0
103.05454	1.3
103.53238	0.4
104.04949	0.5
105.07035	1.0
106.06569	0.5
107.08596	0.7
115.05474	0.9
116.98602	0.9
118.06542	0.7
119.08549	0.6
120.08103	12.0
120.26559	0.3
121.06493	1.5
121.10108	0.5
128.04977	0.5
130.06520	100.0
131.04921	0.6
131.06883	2.8
132.04445	16.7
134.09659	0.7
134.99638	1.2
135.08049	0.5
137.05882	0.4
141.05609	0.6
146.05946	0.9
148.07568	25.1
149.02220	0.6
150.06168	1.8
151.03909	0.4
158.06007	28.9
159.06378	1.5
168.43617	0.4
175.02757	0.6
176.07063	68.5
177.00597	0.6
177.07385	1.4
190.00729	0.7
190.02444	0.8
204.06555	1.1
215.06015	0.4
222.05568	0.8
222.07567	3.8
222.11264	1.1
222.15100	0.5
225.04272	1.2
227.02292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03955	2.2
55.05510	17.5
57.07067	7.5
59.05012	2.4
65.03935	2.5
67.01852	8.5
67.05506	17.4
69.07071	11.5
70.93341	5.5
71.04991	25.7
73.06522	2.2
79.05495	24.0
81.03397	2.9
81.06583	3.7
81.07058	70.0
83.04990	2.8
83.08620	9.3
91.05482	18.0
93.07045	45.9
95.04959	6.0
95.08602	37.2
97.06507	3.7
97.10155	4.4
99.08091	5.0
105.07030	40.6
107.04960	18.2
107.08588	66.3
109.06499	5.2
109.10150	30.8
111.08056	9.0
115.05354	2.0
117.07020	3.8
119.08575	53.6
121.06527	6.2
121.10143	17.3
123.04420	2.1
123.08078	4.9
123.11712	17.5
125.09651	3.5
127.11205	3.8
129.07027	4.3
130.06613	2.6
131.04980	2.4
131.08580	5.2
133.06470	6.3
133.10133	23.2
135.04445	4.2
135.08070	4.1
135.11696	100.0
137.05992	3.0
137.09621	7.8
137.13300	3.9
143.08571	2.7
145.10110	4.2
147.08041	4.0
147.11682	28.0
149.13280	11.1
151.03912	14.5
151.11171	6.1
156.55244	2.2
161.05957	7.8
161.09636	3.6
161.13260	21.6
163.14813	3.7
165.05479	42.6
165.09169	4.0
165.12769	3.2
175.11288	2.1
175.14787	7.7
177.16371	3.4
179.10780	2.5
179.29041	2.4
189.05478	4.4
189.07840	2.9
189.09337	2.3
193.08621	3.9
193.15959	3.2
193.18973	2.0
203.17961	38.7
206.16182	6.5
221.04483	3.3
221.08105	4.7
221.11824	15.0
221.15387	7.9
221.19087	54.6
221.21570	3.6
221.22023	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.02386	0.6
53.03936	1.3
53.85096	0.5
54.67409	0.5
55.05515	6.1
56.96558	0.6
57.07054	2.4
57.58847	0.5
58.19319	0.5
65.03935	1.1
67.01866	22.4
67.05503	6.3
69.03400	1.8
69.07075	5.4
69.56588	4.6
71.04990	7.0
73.06559	0.8
75.76421	0.5
77.03919	0.6
79.05128	0.7
79.05492	7.2
81.07056	20.1
81.82748	0.5
83.04978	1.4
83.08599	2.3
85.06523	1.4
91.05473	7.8
93.07043	14.1
94.04192	1.4
94.73098	0.6
95.04958	1.6
95.08605	13.5
96.08952	0.5
97.06511	1.3
97.10177	1.3
98.97565	0.9
99.08092	1.3
103.05444	0.8
105.07030	11.9
107.04954	33.8
107.08597	22.5
108.05288	0.5
109.02847	0.6
109.06535	3.8
109.10148	8.3
111.08041	2.3
111.11658	0.6
115.05457	1.4
116.98616	1.1
117.06962	0.6
119.04958	0.8
119.08580	14.6
121.03001	0.6
121.06498	2.5
121.10134	6.0
122.03641	4.3
123.04481	0.6
123.08052	2.0
123.11715	7.6
127.11166	1.4
129.06956	1.1
133.06483	1.7
133.10121	9.3
134.99638	1.1
135.04411	10.7
135.11693	35.8
137.05956	4.0
137.09622	2.3
137.13216	1.4
139.11217	0.7
143.08562	1.0
145.10114	1.1
147.04491	0.7
147.08052	0.8
147.11684	9.3
149.05975	2.4
149.13196	2.9
150.03131	1.6
151.03917	2.5
151.11200	1.6
161.05989	2.6
161.09589	1.3
161.13297	5.6
163.11252	0.6
163.14795	2.6
164.13449	0.5
165.05479	100.0
165.12712	0.8
166.05814	2.7
174.06822	0.8
175.07536	0.8
175.11221	0.6
175.14833	2.0
177.00691	1.1
177.16333	1.2
185.13263	0.5
189.09219	8.5
191.10756	1.0
193.08603	1.0
193.15863	0.9
203.10626	1.0
203.17961	10.8
205.14987	0.6
206.16280	1.6
221.08281	1.2
221.11739	26.7
221.15393	2.0
221.19025	16.8
222.12073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05515	13.4
55.72318	1.7
56.96576	2.1
57.07071	4.3
66.37006	1.5
67.01868	12.6
67.05498	16.3
68.63926	1.7
69.07072	14.2
69.77740	3.6
69.78146	10.1
71.04992	29.7
73.06577	2.2
79.05499	18.7
81.07058	61.4
83.08628	6.8
85.06538	2.2
91.05479	16.5
93.07037	38.3
95.04980	3.4
95.08604	37.8
97.06538	3.6
97.10160	2.6
98.97578	1.7
99.08089	4.5
105.07035	30.8
107.04959	21.6
107.08591	64.5
109.06514	4.2
109.10154	27.0
111.08089	4.0
115.05463	2.5
119.08581	40.5
121.06495	3.4
121.10136	11.7
123.08094	4.9
123.11705	16.3
125.09560	1.9
127.11189	5.6
129.07004	2.4
133.06491	3.7
133.10123	25.0
135.04405	4.8
135.08096	2.9
135.11691	100.0
137.06017	4.2
137.09607	8.0
137.13217	5.8
145.10085	2.8
147.11687	22.9
149.06065	2.2
149.13245	8.7
151.11174	6.0
161.06006	4.2
161.13243	12.1
163.14851	3.4
165.05473	52.6
165.06860	2.8
165.12778	3.4
166.05807	2.6
175.14841	4.3
177.16370	2.1
177.84824	1.9
179.14407	2.1
189.09138	4.6
203.14503	2.0
203.17946	33.9
206.16269	4.4
221.08127	4.6
221.11699	17.7
221.15439	3.5
221.19011	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03951	5.9
55.01869	2.6
55.05513	12.3
56.96563	4.5
57.07063	3.0
65.03926	1.4
67.01890	1.5
67.05502	15.3
69.07065	12.0
69.69995	6.9
71.04989	3.5
71.72863	1.2
73.06553	1.4
77.03930	1.9
79.05492	65.2
80.05829	1.3
81.03436	2.1
81.07057	43.8
83.04985	2.3
83.08611	6.9
84.06668	1.5
85.06534	4.7
91.04895	1.7
91.05474	40.4
93.07042	100.0
93.22066	1.2
93.51183	1.3
95.04967	13.1
95.08606	19.9
97.06519	2.1
103.05460	1.7
105.04501	2.4
105.06303	2.1
105.07025	43.6
106.07306	1.3
107.04960	5.0
107.08595	76.1
108.08910	1.7
109.02877	1.7
109.06512	8.8
109.10167	5.6
110.99166	1.1
111.08076	3.1
117.07024	3.5
119.04935	1.3
119.08578	36.0
121.06525	5.7
121.10129	20.2
123.08070	5.4
126.15005	1.1
127.07497	2.2
128.06207	2.6
129.07022	3.9
131.08592	9.4
133.06499	2.3
133.10144	14.4
135.08047	3.1
135.11668	2.6
137.05989	1.9
137.09615	2.5
143.08606	9.3
145.10129	2.2
147.04379	2.9
147.08051	3.8
147.11699	5.8
153.09137	1.2
157.10138	4.9
159.11688	7.6
161.06073	2.0
161.09624	6.3
161.13263	32.6
161.14595	1.6
165.05473	11.9
165.09099	2.5
170.10823	1.7
175.02745	1.6
175.07521	1.6
175.11203	8.0
175.14783	8.5
179.10629	1.8
185.13278	19.6
193.03995	1.8
193.15955	1.2
203.10703	1.8
203.14340	12.4
203.17958	1.8
205.14819	1.3
206.10962	1.5
206.16269	5.3
217.07460	1.8
221.04347	1.4
221.08070	3.4
221.11674	6.5
221.15343	26.3
221.18488	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	3.9
55.01873	3.8
55.05513	18.5
56.96570	1.9
57.07060	6.0
59.04998	2.5
67.01858	8.3
67.05217	2.1
67.05511	19.0
69.03425	3.4
69.07063	12.4
70.24117	4.7
70.24514	4.0
71.04992	17.5
71.75928	1.9
79.05492	22.0
81.06586	3.8
81.07059	65.3
83.08614	11.5
85.06493	2.2
91.05468	23.0
93.07040	44.1
94.06547	3.6
95.04954	8.8
95.08056	3.1
95.08611	36.4
97.06563	3.2
97.10166	3.9
99.08097	3.8
103.05406	2.2
105.06379	3.7
105.07028	34.8
107.04946	20.2
107.08591	61.3
109.02868	3.0
109.06512	8.2
109.10152	30.0
109.53212	2.0
111.08075	11.5
113.09630	3.8
115.05432	5.9
117.06964	2.6
119.08571	50.8
119.09361	3.8
121.06509	6.9
121.10155	14.8
122.27632	2.5
123.08055	10.2
123.11713	19.8
125.09631	2.7
127.11192	6.3
130.06523	57.7
131.04900	2.4
132.04446	42.5
133.06479	8.9
133.10124	33.5
135.04401	4.3
135.08075	4.6
135.11688	100.0
137.05994	5.0
137.09615	7.3
137.13258	5.6
139.11147	2.0
143.08540	3.9
145.10130	5.0
147.04483	2.4
147.11682	29.6
148.07573	3.1
149.02322	11.0
149.05977	2.2
149.13266	7.5
151.03918	31.6
151.11194	7.9
152.04214	2.1
153.05481	2.4
157.07623	25.5
158.06015	72.8
161.05975	10.3
161.09612	4.7
161.13274	19.1
163.14803	5.0
165.04158	3.4
165.05482	46.2
165.06871	2.8
165.09087	3.8
165.12811	4.6
175.08675	93.6
175.11029	3.9
175.14864	5.4
176.07109	2.7
176.09027	5.0
177.16412	3.6
178.15930	4.2
189.09201	2.8
190.15912	3.2
193.08606	2.1
193.15880	3.8
203.06842	2.3
203.14194	3.6
203.17969	34.0
204.06483	2.7
206.16194	7.1
221.06149	3.2
221.07777	3.8
221.09254	9.5
221.11717	18.2
221.15346	10.1
221.17360	8.1
221.19098	50.8
222.11444	2.1
222.18539	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Precocene II
Peak:m/z	Relative Intensity
52.08627	0.4
53.03934	1.1
53.19620	0.4
55.01883	0.4
55.05518	2.2
56.96552	0.6
57.07069	1.3
62.36125	0.4
64.78396	0.4
65.03953	0.6
67.01866	21.9
67.05512	2.7
69.03422	2.2
69.07065	1.7
70.06602	0.5
71.04985	1.5
71.58858	0.7
73.06544	0.7
77.03905	0.5
79.05494	3.8
81.07059	7.8
83.04953	0.7
83.08614	1.2
85.06541	0.7
91.05470	5.2
93.07040	4.8
94.04179	1.2
94.06571	0.7
95.04967	1.7
95.08611	4.4
97.06491	0.6
103.05466	0.6
105.07039	6.0
107.04957	36.6
107.08578	4.7
109.02860	0.5
109.06513	2.8
109.10145	3.2
109.93784	0.4
111.00826	0.5
111.08054	1.8
115.05434	0.9
115.36702	0.4
117.07021	0.8
119.04922	1.1
119.08593	6.0
119.29560	0.4
121.05662	0.4
121.06474	2.2
121.10135	1.7
122.03646	3.5
123.04396	1.3
123.08061	2.9
123.11707	1.5
125.05955	0.6
125.09615	0.5
127.03907	0.7
127.29436	0.4
128.06221	0.8
129.06984	0.5
130.06529	9.0
131.08585	1.0
132.04453	7.2
133.06476	2.0
133.10114	2.7
135.04408	10.1
135.08014	1.3
135.11685	3.8
137.05989	3.5
137.09561	0.9
143.08553	1.4
145.10107	1.1
147.04353	0.7
147.08080	0.6
147.11670	3.2
148.07529	0.5
149.02339	1.0
149.05984	1.9
149.13208	0.6
150.03082	1.8
151.03893	3.0
151.11188	0.5
157.07625	3.5
158.06020	12.0
159.11710	0.7
161.06012	2.1
161.09636	1.6
161.13226	2.6
163.11143	0.8
165.05475	100.0
166.05797	1.9
174.06734	0.7
175.08696	13.2
175.11070	0.9
175.14832	2.0
176.07126	0.6
179.10600	0.7
185.13315	0.7
189.05518	0.7
189.09128	9.0
193.15842	0.8
203.06941	0.6
203.10713	0.8
203.14253	1.2
203.17961	2.1
206.16212	1.8
221.04259	0.6
221.09398	1.8
221.11726	28.7
221.14975	2.9
221.19095	2.9
221.21968	4.9
222.12137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02369	2.4
53.03947	7.3
55.01876	2.4
55.05510	12.7
56.96559	3.3
57.07080	2.1
59.04983	1.7
65.03940	2.1
65.40349	1.1
67.01860	3.0
67.05505	22.0
69.07071	11.6
71.04999	5.3
71.59045	1.6
73.06570	1.7
77.03904	1.5
79.05494	73.5
81.03396	1.7
81.07056	48.7
83.04984	3.7
83.08627	5.6
83.58062	1.1
85.02885	1.3
85.06541	4.8
87.04463	1.3
91.04896	1.6
91.05475	49.9
93.07044	100.0
94.07362	1.5
95.04966	17.0
95.08608	22.8
97.06535	3.6
103.05472	1.7
105.06316	1.5
105.06463	0.9
105.07027	41.0
107.04955	6.4
107.08595	79.2
108.08901	2.1
109.02883	2.0
109.06513	9.2
109.10152	4.9
111.08115	3.1
115.05466	1.8
117.07025	5.4
119.04979	1.9
119.08581	36.0
121.06514	7.8
121.09291	2.6
121.10140	20.7
123.08060	6.0
128.06281	2.0
129.07043	6.0
131.08565	9.1
133.06422	1.9
133.10126	15.1
135.08047	3.8
135.11705	3.8
137.05977	2.5
137.09604	4.4
137.13263	1.7
139.07561	1.9
142.07773	2.6
143.08580	10.1
145.10162	1.4
147.04405	3.9
147.08063	4.7
147.11703	6.8
149.06006	1.6
151.11107	2.0
153.09087	2.6
157.10139	4.8
159.11658	7.9
161.09679	7.5
161.13261	36.4
165.05479	10.5
165.09140	3.2
175.02818	2.2
175.11188	6.2
175.14842	8.9
179.10776	1.7
185.13252	15.9
203.14304	11.2
203.17909	2.3
205.15921	1.5
206.16234	8.6
221.08051	5.2
221.11758	7.6
221.15340	25.7
221.18457	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	221.1171
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03935	0.4
55.01873	0.4
55.05508	0.5
56.96562	0.5
57.07070	0.3
65.03941	0.5
66.04719	0.5
67.01865	22.2
67.05508	0.7
69.03428	1.3
69.07083	0.4
69.39339	1.7
73.06554	0.5
74.07162	0.1
77.03931	0.3
79.05492	2.1
81.07055	2.2
83.04976	0.3
83.08601	0.3
85.06544	0.4
91.05464	2.2
93.07059	1.1
94.04193	1.4
95.04970	0.9
95.08585	0.8
103.05483	0.3
104.97823	0.2
105.03378	0.2
105.07012	1.4
107.04955	33.1
107.08600	0.7
108.05261	0.4
109.02869	0.8
109.06525	1.4
109.10162	0.8
111.08114	0.5
115.05496	0.4
119.04926	0.5
119.07838	0.2
119.08567	1.3
121.02876	0.3
121.06491	1.3
121.10147	0.5
122.03638	4.0
123.04418	0.4
123.08043	0.2
123.11682	0.3
133.06519	0.4
133.10126	0.8
135.04417	9.5
135.08043	0.3
135.11682	0.2
137.05978	3.1
137.09596	0.4
143.08571	0.7
145.10031	0.2
147.04404	0.3
147.08043	0.5
147.11699	0.4
149.02354	0.3
149.05972	2.2
150.03105	1.9
151.03935	0.3
153.09062	0.3
161.05972	0.7
161.09619	1.0
161.13269	0.5
163.03868	0.3
163.07544	0.2
165.05472	100.0
166.05814	1.6
171.08029	0.4
174.06772	0.8
175.07401	0.2
175.14835	0.5
189.09114	9.1
191.10695	0.6
203.10651	0.3
203.14359	0.3
203.18008	0.4
206.16223	1.0
221.08124	0.7
221.11719	27.8
221.15302	0.8
222.12086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01853	0.5
55.05505	1.7
55.88610	0.4
56.96554	0.9
57.07066	0.8
65.03952	0.8
66.04707	0.6
67.01863	22.7
67.05503	2.3
69.03415	1.3
69.07051	1.7
70.22015	1.1
70.22417	0.6
72.43262	0.3
72.94342	0.5
73.06533	0.6
79.05488	3.7
81.03407	0.7
81.07056	4.7
83.04980	0.7
83.08617	0.5
85.06536	0.6
91.05468	3.1
93.07042	2.6
94.04176	1.1
95.04955	1.2
95.08608	3.3
98.20879	0.5
105.03402	0.8
105.07029	2.6
107.04952	36.4
107.08596	2.0
108.05251	0.5
109.02865	0.5
109.06503	2.4
109.10152	1.4
111.08023	0.9
116.44730	0.4
119.04928	0.6
119.08578	2.6
121.00451	2.4
121.06503	2.2
121.10127	1.3
122.03632	4.2
123.08054	0.5
123.11720	0.8
128.06223	0.4
130.01064	0.5
131.04895	0.6
133.06526	0.8
133.10109	2.0
135.04417	10.1
135.08080	0.9
135.11716	0.6
137.05977	4.1
137.09674	0.4
143.08553	0.9
145.10088	0.4
147.04433	0.8
147.08073	0.8
147.11659	1.3
149.02383	0.5
149.05957	2.6
150.03125	1.6
161.05943	0.8
161.09604	1.1
161.13272	0.8
163.03809	0.4
165.05469	100.0
166.05821	1.3
172.00829	0.4
174.06757	0.7
175.11159	0.5
175.14789	1.0
177.00206	1.3
177.16356	0.4
189.09109	8.6
191.10674	0.7
203.10715	0.7
203.17958	1.6
205.15125	0.7
206.10979	0.5
206.16199	1.7
221.08051	1.3
221.11717	27.8
221.15350	3.2
221.17738	0.8
222.11993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05505	2.3
56.96555	1.6
57.07071	1.6
67.05505	2.1
69.03405	1.1
69.07056	2.0
70.06588	0.7
70.78069	2.2
72.08169	0.9
73.02914	0.8
74.02434	1.4
79.05487	1.8
81.07042	1.9
82.02921	2.5
83.04980	0.9
83.08604	1.8
86.06036	0.7
86.06889	0.8
87.04465	1.6
87.07998	0.7
88.04784	1.2
90.05545	2.4
91.05465	2.8
91.05937	1.0
93.07021	1.6
94.06553	4.4
95.04963	1.5
95.08585	1.3
97.02879	0.8
97.23872	0.7
98.06032	1.8
99.06382	1.3
103.05485	4.3
104.04979	1.4
105.07014	2.4
107.04931	0.8
107.08610	2.3
109.02837	0.8
109.10162	1.9
111.08093	4.2
115.05448	1.4
119.04898	0.7
119.08571	2.3
120.08150	1.2
121.06520	5.0
123.08009	1.3
123.11681	1.3
130.06528	81.7
131.04942	6.3
131.06892	1.4
132.04453	51.7
133.04816	1.8
133.10110	2.2
135.08067	1.6
137.06006	2.1
137.09660	1.7
141.11032	0.7
147.04445	0.9
147.09146	1.3
147.11604	0.8
148.07574	3.0
153.09109	1.5
157.07617	35.4
158.06013	90.4
158.11784	1.6
159.06345	2.1
159.12091	5.1
160.09711	0.9
161.06003	1.5
163.07507	2.8
175.08675	100.0
175.14767	1.7
176.07101	3.1
176.08949	1.7
185.10092	0.8
186.05554	2.4
193.15843	1.5
203.08174	6.0
203.11105	1.5
203.14403	1.2
204.06537	5.4
206.16260	3.4
207.08855	0.9
221.09283	14.3
221.12595	1.4
221.15398	2.1
221.18161	1.3
222.11325	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	221.1171
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	0.3
55.05513	0.4
57.07076	0.3
64.56255	0.2
64.61886	0.2
65.03935	0.2
66.04730	0.5
67.01865	22.5
67.05489	0.3
69.03429	1.4
69.50357	0.5
69.50767	1.6
73.06535	0.4
77.03962	0.3
79.05494	2.1
81.03469	0.3
81.07056	1.4
85.06541	0.6
91.05482	2.1
92.21410	0.2
93.07043	0.6
94.04185	1.3
95.04975	0.6
95.08603	0.3
105.07023	0.6
107.04955	34.8
107.08601	0.3
108.05273	0.5
109.02861	0.7
109.06497	1.4
109.10180	0.3
119.04932	0.8
119.08562	0.4
121.06500	1.3
122.03648	4.2
124.38074	0.2
133.10121	0.4
135.04413	10.3
135.08046	0.4
137.05980	3.4
141.48595	0.2
143.08583	0.6
149.06006	2.3
150.03120	1.8
161.09590	0.8
161.52884	0.2
165.05475	100.0
166.05864	1.8
174.06754	0.6
179.06975	0.5
189.09114	9.6
191.10641	0.5
221.11725	27.1
222.12074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03945	0.6
55.05507	1.1
56.35377	0.2
56.96534	0.5
57.07068	0.6
58.07378	0.2
65.03928	0.3
66.04722	0.5
67.01862	22.1
67.05503	2.0
69.03422	1.3
69.07066	1.4
69.94203	0.8
69.94617	0.4
71.05006	0.4
71.08570	0.2
73.06543	0.5
77.03925	0.5
79.05495	2.8
81.03400	0.3
81.07056	3.4
83.04985	0.6
83.08629	0.8
85.06545	0.4
91.05467	2.6
93.07040	2.1
94.04191	1.3
95.04967	0.9
95.08594	2.6
97.02904	0.3
97.06574	0.3
98.21445	0.3
99.08089	0.3
100.60426	0.2
103.05465	0.3
105.03397	0.2
105.07029	2.1
107.04948	33.2
107.08596	2.0
108.05252	0.7
109.02860	0.5
109.06491	1.6
109.10133	1.7
111.04465	0.2
111.08079	0.9
115.05486	0.3
117.07021	0.3
119.04928	0.5
119.08584	1.9
121.02865	0.2
121.06490	2.3
121.10106	1.3
122.03637	3.9
123.04445	0.4
123.08062	0.6
123.11684	0.6
127.96568	0.2
128.06198	0.5
129.07004	0.4
131.04900	0.6
133.06500	0.5
133.10126	1.1
135.04408	9.2
135.08043	0.4
135.11662	1.0
137.05962	3.1
137.09608	0.5
137.13283	0.2
143.08563	0.7
145.10054	0.3
147.04395	0.6
147.08067	0.6
147.11623	1.2
149.05975	2.5
149.13303	0.3
150.03104	1.8
151.03900	0.9
151.11182	0.3
153.09050	0.3
160.05212	0.3
161.05989	0.7
161.09607	1.0
161.13225	0.9
163.07484	0.4
163.14845	0.3
165.05464	100.0
166.05804	1.2
166.07060	0.2
170.09236	0.2
171.08026	0.3
174.06735	0.6
175.07561	0.3
175.11206	0.3
175.14841	0.6
179.07076	0.5
189.09094	8.2
191.10683	0.7
193.08481	0.3
193.15857	0.4
203.07022	0.4
203.10654	0.5
203.14435	0.4
203.17949	2.1
206.16180	1.2
217.07542	0.4
221.08104	0.7
221.11711	26.8
221.15292	1.4
221.18990	1.4
222.11942	0.6
234.50677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05501	1.7
57.07064	1.4
67.05490	2.1
69.07052	0.7
70.11938	1.7
70.12353	1.4
79.05483	0.8
79.97280	0.6
81.07050	1.6
82.02917	1.8
83.08627	0.7
91.05450	0.8
93.07011	1.0
94.06576	3.9
95.08589	1.7
103.05467	0.9
104.04991	1.0
105.07018	1.8
106.06529	0.9
107.08564	1.0
108.63612	0.7
109.06499	1.1
109.10149	1.8
111.08086	2.0
113.31134	0.5
115.05465	1.9
118.06503	0.7
119.08577	1.2
120.08092	1.8
121.06489	2.7
121.10175	0.8
122.10481	0.6
130.06528	61.9
131.04947	1.0
131.06895	1.0
132.04457	38.0
133.04857	0.7
133.10123	1.6
134.06029	5.7
135.08038	1.1
137.09586	1.4
146.06024	1.8
147.06339	2.6
147.09132	1.1
147.11694	0.7
148.07588	4.5
153.09108	1.1
156.06770	0.8
157.07625	20.9
158.06015	77.3
159.06357	2.8
159.12070	1.1
160.07536	3.2
162.05496	11.3
175.08675	100.0
176.07138	2.9
176.09015	1.9
179.17937	0.6
186.05489	6.1
193.15897	1.9
199.95543	0.6
203.08275	1.4
204.06564	15.4
206.16174	2.2
221.04515	0.7
221.09233	15.7
221.15408	1.8
222.09599	0.6
228.64053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25787	0.6
55.01859	0.9
55.05495	1.2
56.96562	2.8
57.03424	1.0
57.07072	1.5
67.05495	1.5
68.92713	0.6
69.03429	1.1
69.07058	1.1
69.94830	3.2
70.56380	0.5
72.08125	0.8
73.02911	1.0
74.02438	1.2
79.05465	1.0
81.07043	1.6
82.02490	0.6
82.02950	2.2
85.02912	1.3
90.05537	1.1
91.05437	0.9
93.07051	0.8
94.06569	4.0
95.04990	0.6
95.08620	1.2
97.02912	0.8
98.06079	0.9
98.97569	1.3
99.06359	0.6
103.05465	0.7
104.04967	0.9
107.08597	1.2
109.06505	0.8
109.10183	1.3
111.08083	3.2
115.05498	0.6
116.98621	0.8
119.08590	1.9
120.08097	0.9
121.06507	2.4
121.10083	0.6
130.06528	79.0
131.04990	0.9
131.06860	1.9
132.04454	48.1
133.04796	1.2
133.06512	0.7
133.10139	1.3
134.05983	1.3
134.99637	0.8
135.08052	1.0
137.05949	0.7
137.09650	0.8
138.64424	0.6
146.06013	0.8
146.99660	0.8
147.04416	0.7
147.08116	0.8
147.09210	0.8
148.07578	3.4
151.11171	0.5
153.09210	0.9
156.06828	0.9
157.07617	28.5
158.06013	91.9
159.06320	2.7
159.12115	2.2
162.05421	1.1
165.09186	0.7
174.10037	0.6
175.08675	100.0
176.07130	2.2
176.08997	2.2
178.08688	0.7
185.04465	0.6
186.05484	3.0
193.15997	1.0
203.08139	2.5
204.06551	4.3
206.16136	1.8
221.04613	0.9
221.07126	1.1
221.09236	16.4
221.15361	1.2
221.18225	1.3
222.11514	0.5
233.78830	0.5
239.74979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Pantothenate
Peak:m/z	Relative Intensity
55.01869	1.4
55.05505	1.6
57.07076	8.6
59.04990	4.8
63.90847	0.6
67.05501	5.9
67.77998	0.6
69.03440	1.2
69.07072	5.4
69.82816	4.0
70.02954	8.4
70.06586	0.8
70.18989	0.6
72.04520	17.8
72.08150	8.0
73.02914	3.3
74.02440	1.4
79.05476	1.4
81.07057	2.5
83.04973	1.1
84.04496	0.8
85.06541	13.3
86.06068	6.0
86.09705	1.4
87.04469	12.2
87.08102	2.6
90.05555	100.0
95.04963	8.7
96.08134	2.2
98.01814	1.2
98.02423	14.8
98.03056	1.0
98.06052	18.5
100.03993	2.4
103.07576	8.4
109.28894	0.6
112.07603	0.6
113.06013	2.9
116.03456	15.6
124.07594	20.9
130.08607	0.7
131.07065	1.1
132.10185	1.1
140.10710	10.9
142.08626	8.9
156.10223	1.2
158.11769	58.6
160.09714	2.0
166.08658	2.4
174.11263	2.2
184.08167	0.5
184.09682	19.5
202.10747	24.5
202.14252	3.5
204.14650	1.0
205.15958	3.8
220.09650	1.2
220.11797	19.9
220.15495	3.8
220.17867	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	220.1332
Annotation	Darlingine
Peak:m/z	Relative Intensity
57.07066	0.9
66.00139	0.4
66.81809	0.5
69.03439	0.6
70.06595	0.5
70.83722	1.0
70.84132	1.0
71.73108	0.5
81.07078	0.8
87.04469	62.4
91.05483	1.0
93.07053	0.5
95.12616	0.4
95.55336	0.5
105.07025	1.2
107.08607	0.6
115.05455	0.6
117.07014	1.1
117.46309	0.5
118.06538	8.7
119.07326	7.2
132.08125	0.5
133.10143	0.5
134.09654	100.0
135.09990	0.8
144.14221	0.5
145.10107	1.1
150.05478	0.4
158.11774	0.5
162.26654	0.5
177.12781	1.3
183.04341	0.6
204.14682	2.2
205.15889	7.9
220.13330	51.4
220.17743	6.7
221.13748	0.9
228.75853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
59.05001	0.4
60.04525	0.4
67.05511	0.5
68.04986	0.4
69.03428	3.9
70.02943	0.8
70.06589	4.4
70.86445	1.1
72.04504	0.6
72.08156	15.6
79.05502	0.9
81.07054	4.4
84.04495	0.4
85.06551	0.9
86.06071	10.3
87.04468	26.9
90.05560	5.5
95.04939	0.4
98.02398	0.7
98.06055	39.0
103.07608	0.6
104.07110	0.7
124.07589	1.0
140.10704	25.4
141.11031	0.4
142.08698	0.4
158.11765	100.0
159.12120	1.8
184.09671	1.0
202.10741	1.7
202.12527	0.7
202.14363	6.5
202.16083	0.7
205.15907	2.0
220.11890	1.4
220.15450	8.3
220.17819	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
59.95510	0.2
67.05519	0.2
67.51365	0.2
70.07426	0.2
70.07757	0.8
77.51457	0.2
81.07074	0.2
91.05465	0.2
93.07049	0.2
95.08633	0.2
95.36121	0.2
103.30009	0.2
105.05270	0.2
105.07008	0.2
106.06544	0.3
106.07330	0.2
115.05498	0.2
117.05785	0.2
118.06541	13.1
119.07316	0.2
120.08128	0.4
130.06514	0.4
132.04388	0.2
132.08089	3.4
132.08997	0.1
133.08879	1.7
134.09593	0.9
144.08099	0.4
146.09624	3.2
147.10376	0.2
151.03918	0.3
157.07561	0.3
158.05989	0.2
158.09700	0.2
160.11226	0.5
161.12057	0.2
162.09137	6.9
172.11249	0.2
175.08638	0.6
176.10753	4.8
176.14337	29.9
177.11449	1.1
177.12849	0.2
177.14679	0.8
178.16644	0.2
189.15096	0.2
190.12247	3.0
202.15843	0.9
204.14197	0.3
205.15895	1.0
218.24646	0.2
220.16948	100.0
221.17274	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	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14502	0.7
52.92070	0.5
55.01862	2.3
55.05499	2.0
57.07071	7.7
59.04991	5.3
60.04483	0.6
67.05497	8.1
69.03419	0.8
69.07059	7.3
70.02950	8.8
70.06570	1.3
70.71072	1.4
70.71449	1.0
72.04514	15.3
72.08144	2.1
73.02917	3.3
74.02436	1.8
79.05479	0.8
81.07044	1.7
83.04976	1.6
84.72456	0.6
85.06535	11.7
86.06073	1.9
86.09700	1.7
87.04448	5.4
87.08093	2.0
88.81143	0.6
90.05550	100.0
91.05460	0.6
92.37147	0.7
95.04034	0.7
95.04965	7.7
96.08116	2.6
98.02408	15.0
98.06052	5.4
100.03943	3.3
103.07571	8.0
113.05995	2.9
116.03445	16.7
124.07581	20.2
130.06520	4.0
131.07034	1.1
132.04460	2.1
137.16855	0.6
140.10680	3.2
142.08626	9.0
146.06017	5.8
154.08839	0.7
156.10248	1.2
157.07596	1.1
158.05983	2.4
158.11761	15.9
160.09674	1.8
164.35033	0.7
166.08647	2.7
174.11311	1.8
175.08620	5.4
184.09683	17.8
196.93239	0.8
202.10732	23.2
204.14682	1.7
205.15837	5.7
220.11795	19.5
220.15511	1.4
220.17723	5.6
221.09302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Methyl 2,2-dimethyl-2H-1-chromene-6-carboxylate
Peak:m/z	Relative Intensity
55.05502	0.9
55.17665	0.6
56.96594	0.6
59.05005	4.4
65.03943	1.4
67.01871	1.0
67.05499	2.0
69.03434	1.5
69.07072	1.6
71.48260	1.1
79.05497	1.4
79.16601	0.5
80.16900	0.6
81.07057	1.5
91.05478	17.4
93.07042	1.7
95.04980	1.4
96.97943	0.6
103.05503	1.2
105.07035	3.6
107.04974	1.3
107.08612	1.7
109.06505	3.1
111.04445	2.1
115.05450	3.9
116.06242	4.5
117.07023	1.5
119.04941	52.2
119.08603	3.0
121.06494	1.5
121.10150	3.2
123.08124	0.8
128.06224	2.1
129.07001	4.2
130.07756	0.7
131.05013	0.7
131.08572	20.2
133.06476	1.9
133.10136	2.3
135.08076	0.9
135.11702	0.6
137.06056	0.6
139.03911	2.4
141.06999	3.1
143.08556	2.5
144.05672	3.6
145.06476	2.0
145.10092	2.3
147.08055	0.6
151.03903	1.1
151.07497	0.9
158.07275	4.8
159.03233	0.7
159.08060	32.5
160.08597	0.9
161.06007	5.5
161.09633	2.7
161.13260	1.1
165.05501	1.2
169.06502	1.5
173.05991	0.8
173.09630	2.1
174.06789	1.6
176.04652	0.6
176.08282	0.9
177.09204	0.7
186.06810	2.9
187.07547	100.0
188.08012	3.1
189.05475	15.3
189.09055	4.2
201.09096	8.9
203.06996	0.7
203.14340	10.7
204.07796	2.8
212.00523	0.6
219.10162	52.6
219.17430	31.2
220.10565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Methyl 2,2-dimethyl-2H-1-chromene-6-carboxylate
Peak:m/z	Relative Intensity
52.47993	0.5
53.03938	1.2
55.01895	0.6
55.05511	1.9
56.96561	0.7
59.04986	4.0
65.03939	1.4
66.92890	0.6
67.01874	1.5
67.05493	2.4
69.03425	2.1
69.07068	2.8
70.00336	3.0
79.05493	4.0
81.07042	3.2
89.40781	0.5
91.05473	23.8
92.05772	0.8
93.03389	0.7
93.07044	4.0
95.04969	1.7
95.08607	2.3
97.06511	1.9
98.21426	0.7
103.05467	2.1
105.07013	8.2
107.04964	1.7
107.08585	4.3
109.06519	4.7
109.10074	0.7
111.04439	2.8
115.05431	5.6
116.06258	6.1
117.07044	3.2
119.04935	56.4
119.08585	6.6
120.05342	0.6
121.06519	1.8
121.10133	6.6
123.04443	2.2
123.08057	1.6
128.06245	3.8
129.06996	7.2
130.07805	1.9
131.04915	1.3
131.08559	28.2
133.06483	2.4
133.10106	6.4
135.04416	0.6
135.08032	1.2
135.11684	1.8
139.03896	3.2
141.06978	4.8
143.08531	4.5
144.05679	4.4
145.06474	3.6
145.10103	4.2
146.07196	0.7
147.04431	1.2
147.08090	1.2
147.11671	1.8
149.05977	1.8
149.13211	0.6
151.03891	1.4
158.07278	7.7
158.65372	0.6
159.04427	1.1
159.08046	37.7
159.11668	2.2
160.08554	1.2
161.05986	6.7
161.09621	3.4
161.13248	2.7
162.06726	0.9
163.07532	1.0
163.11150	0.9
165.05519	0.9
169.06470	1.8
170.10951	1.0
172.05162	0.9
173.05966	1.4
173.09657	3.1
173.13219	2.8
174.06781	4.2
175.07474	1.4
175.14819	1.9
176.04716	1.1
176.08270	0.7
177.05455	1.0
177.08890	0.7
186.06743	4.1
187.07533	100.0
187.11095	2.0
188.08058	3.6
188.11867	1.1
189.05466	20.3
189.09059	6.4
190.05881	0.9
191.07130	1.1
191.10701	1.3
201.05482	0.6
201.09093	13.1
201.16399	1.3
203.14301	24.1
204.07829	2.7
205.15805	0.8
219.06569	1.6
219.10146	38.9
219.13812	2.2
219.17419	63.0
220.10368	0.8
220.17932	0.6
227.38924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Methyl 2,2-dimethyl-2H-1-chromene-6-carboxylate
Peak:m/z	Relative Intensity
56.96546	1.8
59.04985	4.1
65.03930	0.9
67.01821	1.5
67.05486	1.5
69.03413	2.0
69.07040	0.9
69.79436	4.4
69.79836	2.0
73.98096	0.8
79.05483	2.1
81.07040	2.0
87.67345	1.2
88.88660	0.9
91.05478	27.2
93.07017	1.6
95.04961	1.4
95.08580	1.0
103.05442	1.2
105.07028	4.7
107.08562	1.0
107.23869	0.9
109.06516	5.4
111.04422	3.4
113.82671	1.1
115.05431	4.9
116.06239	8.7
117.06963	2.6
119.04939	64.6
119.08559	3.6
120.05255	1.2
121.10111	3.0
128.06206	2.9
129.06995	5.5
130.07791	1.3
131.08562	26.2
133.06467	2.9
133.10106	2.9
133.26102	0.9
135.08060	1.2
139.03885	3.6
141.06955	3.8
143.08542	3.7
144.05725	5.5
145.06471	3.0
145.10146	1.1
147.08005	1.5
158.07256	6.0
159.08046	37.5
160.08447	1.0
161.05951	7.2
161.09570	2.5
161.13229	1.5
162.06764	1.4
165.05457	1.2
169.06467	2.3
171.08031	1.0
173.09654	2.6
174.06818	1.5
175.14766	0.9
186.06755	3.7
187.07535	100.0
188.07941	3.9
189.05470	24.8
189.09048	4.9
190.95259	1.2
201.09091	13.3
203.14317	10.8
204.07773	3.4
219.10146	36.4
219.17416	31.5
219.20813	1.0
225.22406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03938	1.1
55.01877	1.3
55.05504	3.1
57.03429	1.4
65.03951	1.2
67.05512	4.1
69.07053	3.0
69.88132	5.1
71.04971	3.0
79.05498	5.5
81.03423	1.0
81.07049	6.5
83.04962	1.5
85.02937	0.9
91.05477	20.5
91.06014	1.5
93.07030	7.7
95.04959	2.4
95.06009	0.8
95.08601	3.6
97.06516	1.7
98.20813	0.9
98.97548	1.3
103.03938	1.0
103.05471	7.5
105.07034	15.6
107.04951	1.5
107.08608	5.1
109.06517	1.6
109.10133	1.8
111.80984	0.8
115.05441	13.4
116.06264	5.6
117.07019	10.0
119.04925	4.8
119.08573	12.6
120.05635	1.0
121.06477	1.9
121.10143	11.0
123.04417	1.0
123.08055	1.9
125.09664	1.4
128.06209	13.7
129.06999	48.8
130.04141	0.9
130.07866	4.5
131.04927	15.3
131.08565	45.1
133.06511	1.6
133.10123	18.9
135.08038	1.8
135.11691	1.6
137.05981	3.8
140.06204	1.0
141.06982	40.7
142.07591	0.8
143.04950	2.4
143.08536	4.2
144.05687	7.2
144.09332	1.1
145.06487	16.5
145.10115	6.9
146.07269	5.4
147.04391	1.5
147.08078	2.4
147.11711	4.3
148.05188	2.6
149.05966	10.0
151.03885	1.8
155.06003	1.7
157.06473	21.0
157.10136	1.6
158.05939	1.2
158.07260	23.4
159.04414	5.8
159.08043	33.1
159.11726	4.6
160.05214	5.4
160.08702	1.0
161.05936	3.3
161.09627	7.5
161.13225	5.7
162.06746	1.5
163.03810	1.1
163.07529	4.9
163.11243	2.6
168.05716	1.4
169.06477	14.4
169.07782	1.1
170.07231	6.5
171.04376	1.1
173.05963	5.2
173.09621	2.4
173.13252	3.1
174.06767	72.7
175.07550	11.0
175.14861	1.8
176.04663	2.1
177.05493	1.8
177.09088	1.8
177.12788	1.2
185.05914	1.1
186.06758	17.6
187.07520	7.5
187.11139	2.0
188.08310	3.8
188.11896	1.3
189.09099	85.6
190.09476	3.5
191.06992	3.9
191.10622	6.1
201.09099	35.0
201.16440	3.2
202.09454	1.4
203.14305	33.3
205.15849	1.3
219.06569	3.5
219.10165	68.9
219.13829	4.2
219.17424	100.0
220.10446	2.1
220.17865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Bitalin A
Peak:m/z	Relative Intensity
51.94334	0.9
55.05516	2.2
57.03426	1.9
57.07067	1.6
58.23769	1.1
60.89898	1.0
65.03903	1.7
67.05494	3.4
69.07037	2.7
69.25517	9.3
69.25944	3.0
71.04995	1.8
79.05479	4.1
79.96292	1.1
81.07057	4.3
83.04973	2.0
91.05486	20.8
93.07027	5.9
95.04956	2.9
95.08604	3.8
103.05473	6.3
105.03416	1.2
105.07037	12.9
107.04945	2.3
107.08585	3.9
109.06486	2.7
109.10146	1.3
115.05449	15.7
116.06277	5.3
117.07044	7.4
119.04984	7.3
119.08582	10.2
121.06445	1.6
121.10144	9.2
123.08020	1.9
128.06210	14.4
129.07005	50.3
130.07838	5.9
131.04933	11.1
131.08569	50.1
132.05779	1.3
133.06517	2.2
133.10123	11.8
135.08011	3.2
137.05972	4.4
137.40207	1.0
141.06987	42.1
142.07350	1.1
143.04939	2.5
143.08545	3.4
144.05713	9.1
145.06473	11.6
145.10123	6.7
146.07271	7.6
147.04433	1.8
147.08051	2.6
147.11736	2.5
148.05222	2.4
149.05922	1.6
149.09622	1.5
151.03920	9.2
155.06000	2.3
157.06505	30.7
158.07277	32.0
159.04393	3.9
159.08055	32.9
159.11696	4.4
159.17610	1.1
160.05203	6.0
161.05954	2.6
161.09572	5.0
161.13266	3.4
163.07622	2.5
163.11148	2.0
169.06479	17.6
169.07776	1.5
170.07280	9.1
170.40587	1.0
171.04439	1.6
171.08089	2.8
172.08946	1.3
173.06020	6.8
173.09535	5.7
173.13184	1.8
174.06769	88.0
175.07539	15.0
175.14841	3.1
176.04645	1.9
176.08170	1.4
177.09131	1.2
185.06006	1.8
185.13301	1.6
186.06757	21.2
187.07547	14.3
187.11263	1.7
188.08295	3.9
189.05501	3.0
189.09108	100.0
190.09453	3.1
191.07054	3.4
191.10692	8.9
201.09100	44.5
201.16452	1.7
202.09431	1.3
203.14316	28.6
219.10170	84.2
219.13829	2.7
219.17439	81.4
220.10469	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Methyl 2,2-dimethyl-2H-1-chromene-6-carboxylate
Peak:m/z	Relative Intensity
50.95886	0.5
52.17426	0.6
53.03942	0.8
55.05500	0.7
56.96555	1.1
59.04996	5.7
59.52182	0.5
65.03934	1.5
67.01862	1.6
67.05489	1.7
69.03409	1.9
69.07071	1.0
70.84994	1.7
79.05473	2.0
80.06277	0.9
81.07040	1.1
91.05478	27.1
93.06983	1.2
95.04961	1.4
103.05438	1.1
105.07034	4.2
107.04955	1.8
107.08591	1.0
109.06525	4.3
111.04436	3.1
115.05453	5.9
116.06236	7.3
117.07008	1.4
119.04938	63.1
119.08545	2.1
120.05252	1.1
121.06502	1.1
121.10120	1.6
123.04415	0.6
128.06198	3.6
129.07010	5.5
130.07802	1.2
131.04915	0.7
131.08566	24.6
132.08859	0.9
133.06439	2.7
133.10126	2.8
135.08063	1.0
139.03893	3.2
141.06992	3.8
143.08521	3.7
144.05687	5.6
145.06480	3.1
145.10069	1.3
147.04417	1.3
147.08057	0.6
149.09615	0.6
151.03879	1.2
151.07591	0.9
157.06541	0.9
158.07268	7.1
159.08051	38.4
160.08527	0.9
161.05971	7.6
161.09636	2.4
161.13229	0.8
162.06837	1.0
165.05399	1.2
169.06429	1.7
173.05931	0.6
173.09618	2.6
174.06761	1.8
175.14804	0.7
176.08257	0.9
177.05524	0.8
177.09023	0.6
186.06725	3.8
187.07538	100.0
188.08025	3.9
189.05464	22.5
189.09100	4.6
190.05879	0.8
201.09096	10.6
203.14314	7.7
204.07834	3.5
219.10162	33.7
219.17438	22.8
220.10571	0.9
220.17815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.02403	1.3
52.35641	1.0
55.05500	1.5
57.03420	1.5
58.34339	1.1
59.04979	1.5
67.05499	3.0
69.07069	1.6
69.25687	11.9
71.04971	1.5
79.05475	3.0
81.07043	4.0
88.82324	0.9
89.18356	1.1
91.04903	1.1
91.05477	21.1
93.07027	3.8
95.04941	1.2
95.08607	3.6
97.06487	1.1
98.20723	2.1
103.05474	3.5
105.06398	1.1
105.07038	12.3
107.08586	4.2
109.06457	1.7
109.10135	1.7
115.05450	13.0
116.06266	5.2
116.83074	1.1
117.07047	5.6
119.04947	8.8
119.08558	8.5
121.06514	1.5
121.10131	4.8
123.08053	1.6
124.10181	1.1
125.09550	1.2
128.06227	13.1
129.07007	48.1
130.04147	1.0
130.07773	2.1
131.04961	11.1
131.08571	47.6
132.08929	1.1
133.06477	1.5
133.10165	8.3
135.08041	1.2
135.11682	2.1
137.05983	5.0
141.06989	39.4
143.04883	1.9
143.08545	3.9
144.05721	7.3
145.06490	11.8
145.10100	4.5
146.07291	6.0
147.07962	1.5
147.11656	3.5
148.05183	2.8
149.06035	1.3
151.03821	1.5
157.06482	20.9
158.07286	26.8
159.04431	6.0
159.08058	31.3
159.11674	3.9
160.05164	7.2
161.05963	3.7
161.09647	3.7
161.13240	3.1
163.07535	4.5
168.05727	1.2
169.06479	15.0
169.07689	1.7
170.07294	9.5
171.08017	1.8
173.06021	6.5
173.09621	2.7
173.13205	1.2
174.06767	83.3
175.07530	13.2
175.14839	2.0
176.04718	1.6
176.08273	1.7
177.05421	1.8
177.12759	1.7
181.98842	1.1
186.06770	19.1
187.07544	16.1
188.08315	4.8
189.05453	3.8
189.09109	100.0
190.09459	4.1
191.07011	2.8
191.10660	8.0
201.09116	42.9
201.16412	1.5
203.14296	22.4
219.06532	3.7
219.10155	84.9
219.13799	2.7
219.17433	64.0
220.10532	2.6
220.17642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.00315	1.2
55.01865	1.9
55.05495	3.9
56.96547	1.2
57.03417	2.8
57.07077	1.0
67.05505	5.0
67.82833	1.1
69.03428	2.6
69.07073	5.0
69.40317	11.3
71.04979	2.0
71.76971	1.0
79.05486	6.1
81.07061	8.2
83.04966	4.8
91.05482	21.5
93.07041	8.2
95.04957	3.1
95.08600	4.5
97.06545	1.5
98.97579	3.2
103.05470	4.9
105.07034	17.2
107.04917	1.7
107.08601	19.0
109.06521	2.3
109.10163	2.9
111.04413	1.8
115.05460	12.9
116.06245	7.0
117.07024	6.7
117.91714	1.1
118.07770	1.5
119.04926	4.2
119.08578	11.4
121.06476	2.2
121.10149	11.3
123.08081	1.6
125.09614	1.3
127.07583	1.2
128.06215	13.0
129.07008	51.4
130.07742	4.4
131.04922	9.5
131.08569	46.8
132.08946	1.4
133.06560	1.4
133.10130	20.0
135.04378	1.3
135.08052	35.0
135.11671	2.9
137.05980	5.7
137.09593	1.6
141.06984	44.9
141.23721	1.1
143.04924	1.4
143.08548	4.5
144.05708	8.1
145.06483	10.8
145.10110	5.3
146.06146	1.1
146.07248	4.9
147.08006	2.2
147.11684	4.3
149.05939	1.2
149.09546	1.9
151.03899	6.7
151.07568	1.3
153.06987	1.2
156.05655	1.6
157.06496	27.1
157.10155	1.7
158.07288	27.3
158.10788	1.4
159.04378	4.3
159.08052	35.4
159.11691	7.8
160.05200	6.7
160.08452	1.5
161.05984	2.7
161.09605	7.6
161.13232	4.4
162.06790	1.6
163.07529	3.8
163.11186	2.2
168.05663	1.6
169.06503	15.6
170.07266	8.2
170.10910	1.4
171.08063	2.5
173.05969	7.5
173.09634	3.8
173.13264	4.6
174.06769	88.2
175.07504	13.3
175.11119	1.3
175.14830	2.5
177.00774	1.7
177.05400	1.1
177.09019	1.4
177.12752	2.9
185.10414	1.1
186.06754	20.8
187.07529	8.5
187.11075	1.7
188.08293	5.6
188.11993	1.2
189.09111	100.0
190.09431	3.0
191.07054	2.3
191.10657	6.3
191.14343	1.2
201.09116	40.2
201.16324	3.8
202.09460	1.3
203.14313	32.0
219.06696	2.4
219.10165	75.8
219.14059	11.9
219.17433	98.3
220.10484	3.2
220.17847	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01868	2.7
55.05510	40.3
56.05038	2.0
56.96566	9.2
59.04996	1.9
60.05645	2.4
62.46815	1.1
65.03942	1.0
67.05490	4.5
69.03417	4.9
69.07056	1.7
70.02946	6.0
70.06591	17.8
70.98110	2.1
71.04964	2.2
72.04512	1.6
72.08157	8.0
73.02913	3.0
74.02427	1.9
78.65518	1.3
81.07067	1.5
83.04978	64.3
83.08618	2.4
84.08126	2.3
85.06538	5.4
86.06080	1.9
87.04467	8.3
88.57456	1.0
88.99161	1.5
89.02380	5.0
89.06043	7.6
91.05471	1.7
95.04957	2.0
96.04494	1.8
96.09726	1.2
98.97586	2.7
99.04434	4.6
101.06012	22.1
107.08560	1.3
111.04440	60.1
112.07609	2.6
112.08755	1.6
113.05984	13.8
113.07136	1.8
114.91345	1.0
115.08700	4.6
116.07101	5.6
116.98623	2.3
119.01910	4.3
127.07558	12.3
128.07062	1.3
129.05478	26.8
129.06975	2.5
134.99648	2.7
135.04416	1.0
137.02919	2.0
137.05960	2.2
138.09119	1.2
145.03462	3.1
147.63731	1.1
155.07030	100.0
156.07411	2.1
157.09673	2.9
158.08131	9.6
158.09312	2.9
161.01230	1.7
163.03946	4.7
173.08090	39.3
175.11969	3.0
186.96814	1.9
193.00185	2.2
199.09651	3.9
200.10402	2.1
217.04756	2.2
217.06856	46.3
217.10716	30.7
217.12927	12.6
235.58406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05511	38.9
56.96562	1.7
57.03399	1.0
59.04985	3.3
60.74923	1.0
61.78833	1.0
64.92855	1.2
65.03952	1.9
65.04287	0.9
67.05505	5.4
69.03428	3.0
69.07076	1.6
70.06581	4.4
71.09765	2.2
72.08156	2.3
73.02906	4.0
76.22043	1.0
81.37178	1.0
83.04981	56.7
83.08616	2.9
85.06522	3.4
87.04463	10.8
89.02386	5.3
89.06018	7.9
89.49134	0.9
99.04451	3.6
101.06017	21.5
111.04442	59.9
113.05998	10.0
116.07106	2.5
119.01904	3.9
122.36288	1.0
127.07553	10.7
129.05478	28.7
129.06960	2.4
137.02950	1.8
137.05980	3.1
145.03476	1.9
155.07030	100.0
156.50931	1.1
163.03862	2.0
172.09691	1.2
173.08104	43.8
182.08231	0.9
199.09679	4.6
217.03323	2.2
217.06857	39.4
217.10664	35.4
217.12715	1.3
218.07217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01875	2.4
55.05512	22.7
56.29481	1.2
56.96569	16.6
57.03431	5.4
57.07076	2.4
59.04987	2.7
65.03936	3.2
67.05505	100.0
69.03419	4.7
69.06723	1.9
69.07072	28.7
71.04994	46.8
71.58799	2.5
73.06560	2.2
74.09699	3.0
79.05495	27.2
81.07059	88.8
82.07375	1.7
83.04977	9.9
83.08610	5.5
85.06549	18.6
91.05482	63.8
93.07043	19.7
95.04984	3.7
95.08607	16.0
97.06535	5.8
97.10143	1.4
98.98487	3.3
99.08099	2.7
101.06043	2.0
105.07030	43.0
107.08589	29.8
109.06535	8.0
109.10156	59.0
117.07030	4.8
118.41797	1.6
119.08571	3.4
121.10137	3.8
123.08059	2.7
123.11698	16.1
126.01573	1.4
126.09103	1.7
129.05626	2.1
129.07008	3.4
131.00230	1.9
131.08568	8.5
132.95830	1.8
133.10133	65.8
134.99632	1.6
135.11720	1.6
137.71230	1.3
141.06998	2.0
141.09200	1.8
143.08562	1.5
145.10120	6.3
149.01207	3.6
150.96912	9.1
151.11177	25.8
152.05981	6.6
153.06934	3.0
155.07307	1.7
155.08514	2.3
156.08060	5.3
159.11719	3.7
166.06509	5.4
170.09666	5.4
173.13289	2.7
175.08818	1.8
183.09200	19.0
183.13820	4.2
184.07610	3.3
184.10004	19.4
185.04771	2.0
185.10130	3.4
189.04294	2.8
190.95450	2.1
191.97289	2.1
193.09827	3.0
197.13300	2.1
198.09312	1.6
198.11192	2.1
200.09447	13.7
215.07068	2.0
215.11810	18.0
215.14319	7.0
215.17979	5.9
215.25682	1.4
217.07433	1.4
226.67615	1.4
231.08998	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
49.99986	1.1
51.62207	1.0
53.00298	1.1
53.03946	2.2
55.01868	2.2
55.05516	13.9
56.96580	2.0
57.03452	1.3
57.07067	3.8
59.04994	3.6
62.15294	1.1
65.03939	1.9
67.05507	47.9
69.03424	5.4
69.07069	20.7
70.85030	3.5
71.04994	40.0
73.06543	2.2
79.05500	13.0
81.03408	3.3
81.07057	58.3
83.04988	2.3
83.08617	10.5
85.02906	1.5
85.06554	4.7
88.07594	1.8
91.05492	4.8
93.07043	21.2
95.04968	2.0
95.08605	23.9
97.06536	4.3
97.10176	4.9
99.04472	1.5
99.08096	6.7
105.07037	2.8
107.08596	28.0
109.02904	1.5
109.10158	100.0
110.10504	1.4
111.08072	1.9
113.09642	2.4
118.31484	1.1
119.08537	1.6
121.10147	37.0
123.04428	1.4
123.08080	1.2
123.11726	9.4
125.05991	1.3
125.09625	5.1
125.13239	1.3
127.03918	3.8
127.11194	4.0
128.06238	3.7
129.07014	8.9
135.11691	11.8
137.13258	7.1
139.11201	2.5
141.06978	2.8
142.06738	1.1
142.07759	6.6
143.08559	2.0
149.13271	2.8
153.05444	1.9
153.12755	10.9
157.10104	5.9
165.07088	1.3
167.08543	2.0
169.10149	1.4
170.07288	3.2
171.08070	3.3
171.11687	2.5
177.16397	24.6
184.05215	3.5
185.09683	6.9
185.95270	1.3
195.06473	2.0
195.08060	2.6
195.17444	23.0
196.91615	1.4
198.06755	2.4
213.05571	2.7
213.09114	21.6
213.12767	2.1
213.16405	4.0
213.18533	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03945	4.2
55.01865	3.9
55.05261	4.2
55.05511	49.5
56.96560	9.4
57.03422	5.5
57.07067	9.0
59.05000	3.8
67.05505	51.2
68.05011	6.3
69.03428	14.2
69.05366	4.6
69.07066	39.1
71.04990	48.4
71.20441	1.9
71.59180	2.3
72.05326	5.7
73.06546	4.5
79.05482	20.2
81.03427	8.9
81.07060	64.9
82.06570	3.0
83.04979	8.5
83.08149	2.5
83.08625	33.4
85.02912	5.0
85.06546	9.9
86.62394	2.1
86.98871	2.5
88.07647	4.1
91.05476	9.5
91.58118	11.1
93.07040	26.6
95.04980	6.4
95.08604	48.9
95.09171	3.9
96.08124	8.1
97.02889	4.5
97.06512	6.1
97.07915	2.8
97.08464	12.1
97.10171	9.1
98.09686	3.6
98.97589	3.3
99.04462	7.0
99.08089	10.9
100.11256	50.5
105.07037	8.2
107.04958	6.9
107.08590	38.1
108.08142	4.3
109.02869	6.2
109.06512	2.8
109.10155	100.0
110.03668	4.5
111.08067	3.5
111.11710	2.8
112.07550	2.5
113.09635	4.3
116.98613	4.3
117.13794	2.5
119.08596	6.2
121.10145	46.3
121.11018	2.4
123.04437	2.6
123.11710	13.5
125.09650	7.1
126.09173	4.4
127.03938	10.1
127.11185	3.9
128.06215	5.5
129.07001	12.9
130.11218	2.1
134.09625	3.7
135.10049	10.9
135.11687	18.1
136.07613	3.2
136.87175	2.8
137.13235	8.3
139.03922	3.2
139.11195	4.2
140.10683	4.6
141.06940	6.9
141.11469	31.0
141.61665	3.5
142.07784	16.1
143.08565	7.6
152.06229	3.0
153.05524	4.6
153.12767	8.4
154.07751	4.6
154.12260	14.8
155.08563	5.0
156.09332	4.3
157.06459	2.8
157.10107	18.2
161.13187	2.8
165.07014	5.3
167.07162	3.5
167.08562	5.1
170.07259	5.4
170.10852	4.3
171.11717	7.0
177.11084	3.3
177.16396	25.0
180.09329	4.2
182.15387	28.1
183.08096	3.2
185.05875	3.5
185.09637	15.9
185.13252	7.8
195.08054	5.0
195.12068	16.2
195.17433	21.9
198.06764	4.9
198.10518	4.0
199.18050	20.0
213.05603	5.4
213.09134	48.3
213.13036	23.6
213.16385	7.8
213.18144	6.3
214.17996	2.5
225.16023	5.2
231.16574	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	213.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01863	3.6
55.05503	15.8
56.96557	4.7
57.03421	3.1
57.07066	4.0
59.04982	2.9
64.16063	1.3
65.03934	1.4
67.05502	43.9
69.03412	5.7
69.06722	2.1
69.07067	25.4
70.55668	1.7
71.04994	36.9
71.12365	3.3
71.37176	1.2
73.06558	1.7
79.05489	14.0
81.03410	5.8
81.07055	52.3
83.04971	1.4
83.08620	7.6
85.02904	2.1
85.06535	3.8
88.07638	3.2
91.05443	6.8
91.47418	1.6
93.07037	18.6
95.04942	3.1
95.08604	26.6
96.08945	1.6
97.02899	2.5
97.06538	3.9
97.10156	4.3
99.04463	3.0
99.05563	3.7
99.08083	4.9
105.07024	4.2
107.04961	3.1
107.08595	26.4
109.02846	3.1
109.06496	1.8
109.10149	100.0
111.08079	3.9
113.09621	2.7
116.98640	2.7
119.08589	1.6
121.10139	30.7
123.11708	10.7
125.09619	4.5
125.13285	1.5
127.01475	1.4
127.03900	9.0
127.11205	4.2
128.00723	7.7
128.02600	3.7
128.06200	4.4
129.02954	5.7
129.06987	6.9
130.02321	16.2
131.08580	1.8
133.07579	1.8
134.99648	2.0
135.11662	11.4
137.13280	6.6
139.11131	2.2
141.06953	3.7
142.07785	10.0
143.08589	9.0
145.72984	1.5
149.13225	1.9
152.06158	2.6
153.05458	2.7
153.12724	8.4
154.07773	2.3
155.08531	1.8
155.63672	1.6
156.09343	2.1
157.06519	2.2
157.10114	10.2
165.06961	2.4
167.07196	1.7
167.08560	5.2
170.07195	3.2
171.08002	2.8
171.11655	5.8
175.09567	1.7
176.10112	3.6
177.00638	1.6
177.16382	22.6
185.07143	2.7
185.09560	5.8
187.02638	1.9
191.19643	1.2
195.06412	1.9
195.08090	4.0
195.17418	21.9
198.06725	2.3
198.10362	1.7
212.05888	1.9
213.03900	1.7
213.05499	2.9
213.07059	5.6
213.09029	23.9
213.12703	4.9
213.16302	7.3
213.18488	8.4
214.05550	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	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03945	2.4
55.01875	2.1
55.05518	2.2
56.96561	8.5
57.03426	2.3
57.07077	2.1
64.18541	1.1
65.03951	1.1
67.05495	3.6
69.03417	3.5
69.07060	3.0
70.06602	2.4
71.04971	1.9
71.59126	2.1
72.08163	2.6
78.04708	2.5
79.05493	14.5
81.03430	3.4
81.07059	4.0
82.81321	0.9
83.04987	1.4
83.08607	1.3
84.04516	1.0
84.08148	1.8
85.02926	2.0
85.06532	3.5
86.09704	2.2
88.07636	2.1
91.05486	9.7
91.97169	1.1
93.07040	6.8
95.04971	8.1
95.08614	2.0
97.02910	1.7
97.06544	1.5
98.97585	3.6
99.04470	3.2
103.05461	10.6
105.07019	13.2
106.04187	3.2
107.04957	66.5
107.08601	14.3
109.02891	2.4
109.06540	2.9
109.10166	2.0
110.03657	2.2
111.04439	2.1
111.08083	1.5
115.05470	4.5
116.98633	3.1
117.07055	5.2
119.04884	1.4
119.08593	9.1
120.05704	2.9
121.06499	3.4
121.10155	8.3
123.04417	8.2
123.08101	2.4
124.05203	4.7
125.02388	1.2
125.06013	3.1
127.03922	3.2
128.06244	1.6
128.10760	1.3
129.06989	1.5
131.04922	3.0
131.08569	4.4
133.02803	1.1
133.06546	1.6
133.10120	1.5
134.99672	5.0
135.04457	1.1
135.08054	21.3
137.06021	2.2
137.09637	1.3
140.04669	1.3
142.07777	1.3
146.99675	1.8
147.04413	1.1
147.08080	5.4
148.97388	2.9
149.09647	6.9
151.03903	2.1
152.04636	3.7
153.05478	13.1
153.09100	2.5
154.06322	3.9
157.06549	1.3
159.08104	2.3
163.06218	0.9
163.07544	27.1
165.00851	1.1
165.09119	4.3
167.07051	100.0
168.07654	1.1
177.00717	1.8
177.09102	13.9
180.07855	2.9
185.07211	4.8
185.09573	1.2
186.02286	1.6
189.00722	1.4
195.06323	2.5
195.10176	15.5
213.07008	1.9
213.09155	3.7
213.11290	10.2
213.16432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35583	0.6
55.05491	1.0
67.05502	0.8
69.07047	1.7
70.65985	1.5
73.80077	0.6
79.05466	0.9
81.07059	0.8
83.08612	1.4
88.07609	1.1
93.07040	0.8
95.05006	0.7
102.04670	1.7
105.83542	0.8
111.11712	1.4
115.05421	1.6
119.08513	0.8
128.06218	5.2
129.06990	3.1
131.08527	0.8
141.06987	11.7
142.07755	1.5
143.08546	1.1
152.06218	13.4
153.06949	2.7
154.06505	1.4
156.08092	58.0
157.08508	0.8
157.10098	1.4
168.08057	1.4
169.06500	22.3
170.07291	7.8
171.11658	1.4
184.07561	32.4
184.08884	21.1
194.16875	0.6
196.07579	100.0
197.08359	73.3
197.10313	1.2
198.08577	1.0
213.10233	33.3
213.16394	1.7
213.18352	0.7
213.48819	0.8
214.10678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Danielone
Peak:m/z	Relative Intensity
55.01871	5.7
61.51754	0.4
65.03921	0.7
70.71353	1.5
73.02939	0.6
79.05489	0.5
85.02912	0.8
93.03372	0.4
97.06528	1.6
107.04948	0.9
109.02902	0.7
109.36460	0.5
110.03669	0.9
119.40741	0.4
125.05999	5.9
127.95775	0.4
135.04401	0.7
138.03117	3.9
141.05434	0.6
142.83813	0.4
151.03912	1.3
152.04228	4.9
153.05461	100.0
154.05791	2.4
163.03905	0.7
167.06850	2.0
180.03711	0.8
195.06404	10.5
224.09637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03945	9.0
53.71853	1.3
55.01873	7.7
55.05511	57.3
57.03437	25.1
57.07069	6.7
59.05002	5.5
65.03940	3.9
67.05506	61.1
69.03434	17.1
69.07071	23.6
71.01356	2.4
71.04997	24.7
71.08632	2.2
71.58691	2.5
79.05492	44.4
81.03419	100.0
81.07059	66.6
82.07352	1.6
83.04984	53.0
83.08621	34.9
85.02868	3.3
85.06547	9.9
87.04457	1.7
91.05483	49.7
92.05814	1.5
93.07040	38.6
95.04966	41.2
95.08610	57.0
97.02893	6.9
97.06535	10.6
97.10143	11.5
99.04469	3.7
99.08089	5.4
101.19754	2.2
101.78201	1.4
105.03386	1.8
105.07034	37.4
107.04948	8.3
107.08607	25.6
108.05696	1.7
109.06516	14.1
109.10158	37.6
111.04454	3.7
111.08085	15.3
111.62843	1.3
113.06019	2.4
115.05447	3.3
115.07571	3.1
116.06224	1.7
117.07016	4.1
119.04966	2.4
119.08585	35.5
120.99545	1.5
121.10146	18.7
121.70098	1.7
123.04439	3.8
123.08085	14.3
123.11694	20.3
125.09631	15.5
129.07011	12.9
131.08592	12.9
133.02863	6.2
133.06497	4.0
133.10143	30.1
135.11690	22.3
137.05974	13.4
137.09612	26.1
137.13185	2.7
138.77454	1.4
139.11172	7.0
142.07787	4.2
145.10109	2.7
147.04419	1.6
147.08026	5.5
147.11707	21.1
149.05983	2.7
149.09639	10.9
149.13286	2.6
151.07542	3.1
151.11176	5.1
151.14822	2.1
153.12737	3.9
155.08580	4.6
157.10132	14.9
163.11195	1.5
163.14745	2.4
163.97755	2.5
165.05481	2.6
165.06964	1.6
165.09056	2.0
165.12766	6.8
167.07065	6.9
167.10680	3.5
169.04919	2.3
169.10130	5.1
175.11205	19.8
175.14809	17.1
179.07033	1.9
181.98898	2.3
183.11728	1.8
193.04951	2.2
193.10333	2.4
193.12239	29.5
193.13959	2.6
193.15849	14.9
194.08171	2.2
196.12524	2.2
211.05855	2.6
211.07634	3.8
211.11342	3.5
211.13263	10.7
211.14957	4.0
211.16832	9.9
213.76122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01860	0.4
56.96557	1.0
57.78915	0.4
67.05505	0.7
67.12094	0.3
67.89418	0.3
68.99784	4.1
69.03431	0.5
69.07050	0.5
69.92617	2.1
74.86363	0.3
78.04700	0.5
79.05489	0.4
80.05009	0.5
81.03413	4.7
83.04984	0.7
85.02905	0.7
88.45526	0.4
93.03361	0.7
94.04192	3.0
95.04438	0.3
95.04945	1.9
96.05741	1.5
105.03381	2.0
109.02864	2.5
120.08139	0.4
122.06006	0.4
123.04425	2.1
124.05175	1.4
125.05994	1.2
126.01070	8.5
132.70903	0.3
133.02852	0.8
134.03203	1.1
137.02324	5.9
137.06125	0.4
138.03069	0.5
138.06306	0.4
138.73441	0.3
140.04655	0.5
141.05482	0.4
151.03897	100.0
152.04695	16.7
152.07100	0.3
153.05460	13.0
157.05283	1.1
165.71278	0.4
166.06261	21.2
166.08575	0.8
167.38919	0.4
170.05359	0.4
176.11829	2.2
179.03391	20.6
194.05739	72.0
195.06290	1.1
212.06836	3.0
212.09479	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	212.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01869	0.8
56.96563	0.6
59.95623	0.3
65.03918	0.4
67.05494	0.9
68.99787	2.7
69.03416	0.5
69.63627	1.8
69.64044	0.9
70.06603	0.4
71.86431	0.3
78.04709	0.5
79.05490	0.9
80.05005	0.4
81.03419	4.4
81.07074	0.4
81.77760	0.3
83.04978	0.8
85.02895	0.9
91.05482	0.4
92.05811	0.4
94.04195	2.6
95.04961	2.3
96.05749	1.4
97.02889	0.7
97.06497	0.4
98.06045	0.5
105.03381	2.5
108.45876	0.4
109.02882	2.8
111.04425	0.4
116.37650	0.3
121.11846	0.3
123.04430	2.3
124.05255	1.6
125.05975	1.1
126.01073	4.6
133.02827	0.4
134.03194	1.4
137.02339	5.3
138.03110	0.7
140.04689	0.6
148.04677	0.4
151.03903	100.0
152.04697	17.3
153.04170	0.4
153.05463	17.1
166.06258	21.3
167.06650	0.5
168.07324	0.6
176.11827	0.9
179.03397	19.2
180.03738	0.4
194.05742	67.1
195.06329	1.9
212.06819	3.5
212.09499	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	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02363	1.3
53.03955	5.7
53.12164	0.9
55.01876	4.7
55.05511	49.4
56.96555	3.3
57.03438	8.3
57.07059	0.9
59.04976	1.8
59.64271	0.8
65.03931	2.0
67.05502	36.7
69.03419	8.6
69.07071	11.7
69.59698	2.9
69.60126	3.5
71.04982	4.7
73.06568	1.4
76.71570	0.8
77.03905	0.8
79.05490	33.6
81.03416	100.0
81.07053	44.9
83.04978	50.0
83.08614	31.6
85.02886	1.8
85.06522	3.7
87.04476	0.9
91.05478	36.8
93.07040	20.3
94.32870	0.8
95.04961	38.5
95.08603	22.4
97.02882	2.9
97.06506	5.1
97.10172	9.2
99.04496	1.1
99.08086	1.2
105.07025	26.3
107.04945	5.8
107.08588	8.9
109.06519	6.8
109.10152	5.5
111.04434	2.8
111.08096	10.4
113.05994	1.5
115.05429	2.2
117.07008	2.0
119.08578	21.5
121.06504	2.5
121.10126	8.5
123.08079	4.4
123.11739	1.4
125.09618	2.0
128.06149	0.9
129.06990	12.0
131.08568	13.1
133.06454	3.1
133.10127	12.8
135.08038	1.1
137.09599	2.9
140.99565	0.8
142.07777	4.4
143.06114	0.9
145.10101	1.8
145.13564	0.9
147.08026	2.9
147.11690	14.6
149.09604	6.9
151.07608	0.9
155.08490	1.1
157.10124	15.5
163.97714	0.9
165.12721	3.0
175.11174	16.0
175.14815	2.3
193.12241	24.7
205.98778	1.0
211.13234	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03929	5.8
55.01876	7.2
55.05511	41.7
56.18073	1.4
56.96552	4.2
57.03432	9.5
57.07077	1.7
59.04993	1.7
65.03933	1.4
67.05506	34.0
69.03445	10.6
69.07065	11.6
69.28329	12.9
69.31763	1.1
71.04986	7.4
73.02898	1.1
79.05491	37.4
80.05033	1.3
81.03417	100.0
81.07055	36.3
83.04481	2.4
83.04980	49.1
83.08616	30.7
85.02879	1.8
85.06554	1.7
91.05482	32.5
93.07042	19.4
94.54990	1.2
95.04970	34.2
95.08609	16.7
97.02869	4.4
97.06519	5.7
97.10165	9.5
99.08068	2.6
105.07034	22.4
107.04987	7.3
107.08569	7.8
109.06523	6.5
109.10132	4.1
111.04440	2.8
111.08072	9.2
113.05927	1.4
115.05404	1.9
117.07011	2.0
119.08576	22.2
121.06469	2.4
121.10137	10.6
123.08053	3.6
125.09628	3.1
129.07004	11.3
131.08566	12.0
133.06465	3.7
133.10107	10.5
134.88156	1.3
137.09636	3.2
142.07785	3.6
145.10071	1.8
147.08043	4.7
147.11688	13.6
149.09592	5.9
151.11122	2.0
155.08478	1.6
155.33446	1.3
157.10104	12.8
163.97624	2.5
165.12723	2.8
169.10130	1.6
175.11189	11.0
183.08061	1.1
193.10619	2.2
193.12262	26.2
196.08878	1.4
205.98744	2.3
211.07555	2.1
211.11305	2.9
211.13261	8.0
211.14960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03948	5.9
55.01875	7.3
55.05513	45.2
57.03436	8.3
57.10704	1.0
59.05000	2.6
65.03935	1.5
67.05505	31.5
69.03444	10.1
69.07066	10.3
69.84185	1.3
70.32323	4.4
71.04986	3.8
71.91625	1.2
73.61734	1.2
79.05059	2.5
79.05494	34.0
80.92866	1.1
81.03420	100.0
81.07057	40.1
83.04983	47.8
83.08141	2.2
83.08621	29.8
85.06530	2.1
91.05482	37.8
93.07046	20.0
95.04968	34.8
95.08607	11.9
97.02901	2.9
97.06533	5.3
97.10183	6.6
99.08129	2.4
100.47138	1.1
105.07030	24.9
107.04957	8.5
107.08585	8.1
109.06527	6.6
109.10185	2.2
111.08097	8.4
115.05450	1.3
116.09758	1.1
119.07789	1.9
119.08587	20.7
121.06505	1.9
121.10142	8.1
123.08057	2.4
125.09620	2.1
128.06255	1.4
129.07025	9.7
131.08578	12.7
133.06493	3.4
133.10121	9.7
137.09642	1.9
142.07761	3.7
145.69801	1.3
147.08086	2.4
147.11700	14.5
149.09631	6.0
153.39276	1.3
157.10138	13.4
165.12776	1.3
175.11197	16.8
193.12248	24.2
193.13872	2.0
211.13272	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	211.0601
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
51.02374	0.7
53.03950	1.7
54.18974	0.4
55.01874	1.2
55.05502	1.5
56.96564	1.4
57.03445	0.8
57.07073	0.4
65.03967	0.4
67.05513	2.1
68.50078	0.3
68.99810	0.6
69.03426	2.0
69.07075	1.1
70.06598	0.5
71.04991	0.7
71.34576	0.7
73.02925	0.6
77.03938	1.6
78.04729	0.9
79.05491	3.1
81.03423	4.3
81.07058	2.6
83.04980	1.1
83.08615	0.8
85.02908	1.3
85.06522	0.4
87.04490	0.5
89.03919	3.2
91.05473	5.5
91.88417	0.4
91.90628	0.4
93.07030	1.8
94.04202	1.8
95.04962	3.5
95.08604	2.4
95.67593	0.4
97.02888	1.7
97.06544	0.7
97.10176	0.4
99.04473	0.5
99.08111	0.9
103.05454	1.3
105.03391	5.1
105.04522	0.4
105.07018	2.1
106.04185	0.6
107.04949	4.5
107.08604	1.2
108.02106	0.4
109.02886	5.7
109.06515	1.6
109.10149	2.8
111.04383	0.7
111.08087	1.0
111.71992	0.4
116.98644	0.5
117.03362	2.0
119.04949	2.7
119.08584	1.7
121.06540	2.1
121.10157	1.2
122.03647	6.2
123.04424	1.4
123.08056	1.1
123.11693	0.7
124.05174	0.7
126.03114	0.7
127.03944	2.0
130.06508	0.5
132.04478	0.7
133.02852	100.0
133.10144	1.7
134.03464	1.5
134.52818	0.6
135.04425	2.1
135.05338	0.5
135.11661	1.3
137.05975	28.5
137.09583	1.4
141.05469	3.7
147.04437	1.1
147.11716	0.5
149.04784	0.7
149.05974	12.1
149.07121	0.8
150.03113	1.3
151.03893	1.5
151.04970	0.9
151.07559	2.7
151.11131	0.6
152.04663	0.9
157.53119	0.5
161.02374	2.1
161.05972	0.5
161.53383	0.6
163.97710	0.6
165.05479	20.4
166.06171	0.9
167.07045	7.5
169.04965	17.6
175.14799	1.5
178.02596	5.1
179.07056	1.0
181.08551	0.9
181.98685	0.4
188.53841	0.5
193.04967	53.9
193.15918	2.4
194.05396	1.2
199.44957	0.4
205.98666	0.6
211.05913	2.1
211.09494	0.8
211.11372	0.5
211.17004	0.7
220.02773	1.1
232.02715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01866	0.8
55.05505	1.5
56.96559	1.2
57.03433	1.1
57.07073	0.6
62.96745	0.4
64.54534	0.4
65.03931	0.7
67.05495	1.5
68.99789	0.5
69.03419	1.4
69.07088	0.6
71.04974	0.5
75.04469	0.4
77.03938	0.5
78.66605	0.4
78.95747	0.4
79.05491	1.8
81.03419	2.0
81.07058	2.4
83.04988	1.0
83.06092	0.5
83.08636	0.6
85.02902	1.0
85.04029	0.5
91.05482	6.3
93.03402	0.4
93.07003	0.9
93.21822	0.4
94.04179	2.0
95.04968	2.3
95.08601	1.0
97.02874	1.0
98.06046	0.4
101.57963	0.4
103.05476	0.8
105.03391	1.3
105.07022	2.7
107.04937	1.3
109.02869	1.9
109.06537	3.0
109.10181	0.9
116.98638	0.6
119.04945	4.6
119.08562	0.8
121.06480	1.1
122.03652	6.6
123.04399	1.7
123.08074	1.1
124.05119	0.5
126.01082	5.0
127.03914	0.6
133.02853	14.7
133.06499	2.0
133.10078	0.5
134.99684	0.7
135.04414	0.8
136.20299	0.4
137.05975	100.0
138.06316	1.4
139.03935	0.8
140.08142	0.5
141.05432	1.4
146.99660	0.6
147.04425	6.8
149.02328	0.4
149.06001	2.2
151.03897	10.1
151.07542	4.1
152.04668	1.2
152.07159	0.6
153.05493	3.1
154.06207	0.7
161.02370	0.5
161.06006	0.9
163.03873	2.0
163.97731	1.5
165.05490	3.4
165.06892	0.7
166.06244	1.6
167.07059	2.7
167.08253	0.4
169.04959	5.8
169.92255	0.5
178.06281	1.2
179.03448	2.0
179.07019	4.7
181.08568	0.7
181.98766	1.8
193.04973	8.0
194.05762	5.3
205.98831	2.9
211.05882	1.1
211.07579	1.8
211.09673	4.1
211.11519	0.8
212.09412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.02374	0.6
53.03938	0.6
53.75433	0.3
54.44152	0.3
55.01862	0.7
55.05498	0.6
56.96558	0.8
57.03419	0.8
57.07072	0.3
57.18656	0.3
64.34663	0.2
65.03934	0.5
66.97008	0.3
67.05500	0.9
69.03413	0.4
69.07070	0.4
71.04970	0.6
71.36678	0.5
75.08262	0.3
79.05481	1.8
81.03411	1.1
81.07041	1.5
83.04980	0.5
83.57832	0.3
85.02894	0.4
86.06059	0.4
91.05477	6.3
93.07029	0.9
94.04193	2.1
95.04973	2.4
95.08598	0.8
97.02908	0.7
98.06037	0.3
103.05455	0.9
104.12139	0.3
105.03379	1.1
105.07024	3.4
107.04950	1.1
107.08562	0.3
108.05698	0.6
109.02877	0.9
109.06509	2.7
109.10127	0.3
111.04446	0.5
115.05403	0.6
119.04924	5.1
119.08629	0.5
120.08143	0.3
121.06510	1.0
121.10045	0.4
122.03638	7.1
123.04406	1.3
123.08047	0.6
125.05949	0.4
133.02847	4.3
133.06474	2.0
134.99687	0.3
135.04417	0.5
137.05971	100.0
138.06316	1.6
139.03888	0.6
140.04733	0.5
141.05446	0.4
141.82730	0.3
145.96617	0.3
147.04407	6.7
147.08060	0.3
149.06015	1.4
151.03902	2.8
151.07555	4.4
152.04683	0.4
153.05453	3.1
153.06596	0.5
154.06221	1.1
161.05981	0.8
163.03880	1.4
163.97668	1.3
165.05484	1.6
165.09070	0.3
166.06267	0.7
167.07051	4.4
169.04976	1.8
175.32983	0.3
178.06281	0.9
179.03387	0.7
179.07037	4.7
181.08517	0.4
181.98764	1.0
193.04932	2.5
193.08624	0.3
194.05788	1.6
194.07361	0.2
205.98860	1.3
211.02339	0.3
211.05942	0.9
211.07788	0.4
211.09624	3.7
211.11569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28110	3.0
58.10233	4.0
59.77996	3.1
62.66909	3.1
71.48784	7.0
82.96698	3.2
86.87661	3.6
94.93007	100.0
112.89598	15.8
119.01912	5.7
137.37903	2.9
180.88329	7.0
184.43962	3.3
187.04457	4.3
192.92975	8.4
205.05623	4.4
209.95654	12.5
209.97464	5.2
209.99318	11.1
210.89357	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.01874	14.4
55.05509	69.9
57.03424	8.2
57.07057	6.5
65.03956	3.1
67.05509	22.0
68.80285	2.6
69.03413	13.1
69.06724	3.7
69.07069	49.0
70.50620	8.3
71.04995	7.7
79.05477	12.8
81.07058	23.4
83.04977	100.0
83.08614	8.6
85.02901	6.3
91.05494	21.4
93.07040	26.3
95.04957	20.5
95.08591	21.1
97.06536	24.4
103.05452	4.3
104.72352	2.7
105.07019	14.1
106.04187	7.9
107.04984	2.8
107.08598	49.8
109.06509	14.5
109.10166	21.5
111.04420	4.7
111.08087	10.6
119.08549	9.2
121.06505	14.5
121.10143	35.1
123.04467	2.8
123.08057	17.1
123.11675	7.3
125.06031	4.1
125.09618	11.1
127.11160	3.8
131.04881	4.1
131.08537	11.9
133.10115	21.5
135.04382	3.8
135.08032	18.6
135.11688	28.1
137.09630	4.6
139.07521	9.0
139.11172	5.7
145.10129	7.4
145.47752	3.1
147.04404	6.6
147.07974	3.1
147.11690	7.7
149.05954	13.0
149.09593	8.8
149.13222	12.1
151.11180	19.5
153.09120	20.8
163.11232	4.5
163.14828	12.2
166.06245	3.0
167.07010	30.5
167.14325	4.4
173.13261	24.6
177.05367	6.5
191.14293	28.6
194.02098	3.5
209.04433	7.7
209.08083	17.9
209.15376	43.2
210.11217	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.72647	0.7
53.03934	3.2
55.01872	5.2
55.05513	7.1
55.75419	0.8
56.96553	1.0
57.03439	5.8
57.07079	5.7
59.04986	2.5
65.03929	2.7
66.78790	0.8
67.05505	11.5
69.03431	7.4
69.06789	0.9
69.07069	9.2
69.34935	2.2
69.35340	7.5
71.04993	6.1
75.04487	1.6
77.03918	0.9
78.04716	1.7
79.05492	15.3
81.03423	4.2
81.06583	1.0
81.07056	17.7
83.04987	10.4
83.08610	4.8
85.02892	1.4
85.06519	4.7
89.03940	1.5
91.05480	15.9
93.03396	3.2
93.07047	17.1
95.04970	28.4
95.08618	10.0
97.02887	2.0
97.06539	26.9
98.21490	2.2
99.04442	4.9
101.18746	0.8
103.05492	4.7
105.07018	11.4
106.04170	9.3
107.04948	2.5
107.07872	1.3
107.08595	24.3
109.06520	100.0
109.10155	9.4
111.04435	1.9
111.08074	8.9
113.05996	1.2
113.09635	1.0
117.03385	1.6
117.07001	2.2
119.04829	0.9
119.08569	6.3
121.06502	13.8
121.10152	13.1
123.08083	9.4
123.11684	3.1
125.05971	3.7
125.09627	13.4
131.04913	2.3
131.08565	6.3
133.10133	15.4
134.03606	2.3
135.08054	12.9
135.11658	5.5
137.05978	1.2
137.09540	1.0
137.24120	0.9
139.07571	1.8
143.08618	1.0
145.02843	2.0
145.10120	3.8
147.08069	1.1
147.11629	2.4
148.05183	1.5
149.06010	13.1
149.09662	6.2
149.13239	6.5
151.11157	3.9
153.05528	1.0
153.09111	30.7
153.10355	1.8
158.10896	2.1
163.07556	1.4
163.11214	3.2
163.14830	5.5
165.06981	1.2
165.12732	6.0
166.06291	1.8
167.07019	1.0
173.09619	1.2
173.13255	8.6
176.04655	0.9
177.05482	8.8
181.08618	3.0
191.06937	1.5
191.14308	35.5
209.06212	1.0
209.08133	4.0
209.09898	1.2
209.11629	2.1
209.15369	41.8
210.15598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	7.1
55.01862	10.6
55.05512	71.4
56.96561	5.2
57.03427	6.3
57.07074	6.7
59.05001	4.9
61.02930	3.1
65.03929	5.0
67.05508	32.8
69.03432	44.6
69.07068	23.4
70.06590	2.9
70.83723	7.3
71.04984	6.3
79.05492	31.6
79.45924	2.3
80.57938	2.3
81.07055	34.6
83.04480	4.8
83.04982	100.0
83.08620	28.0
84.26362	2.2
85.06544	5.5
89.03899	3.4
90.81159	2.4
91.05486	33.5
93.03380	2.7
93.07045	54.6
95.04964	31.5
95.08600	27.0
97.02916	2.7
97.06540	14.1
97.10186	8.5
101.60699	2.3
103.05445	6.6
105.07034	21.0
106.04179	6.1
107.04947	9.3
107.08590	65.7
109.06531	32.5
109.10155	74.5
111.08069	13.0
117.07029	5.3
119.04935	6.0
119.08569	11.3
121.06488	15.6
121.10146	50.2
121.69385	2.5
123.04426	5.0
123.08066	19.3
123.11720	17.1
125.09615	14.1
127.07587	2.9
129.06985	2.5
131.04924	6.1
131.08575	9.7
133.10139	16.0
135.04433	5.8
135.08055	13.5
135.11693	8.6
137.06004	3.1
137.09648	9.9
139.07491	3.8
145.10127	9.7
147.04434	7.9
147.11661	5.8
148.05209	3.1
149.06012	14.4
149.09615	6.3
149.13271	20.0
151.11186	33.6
153.09065	12.6
155.10661	6.1
159.04405	3.0
161.13269	3.7
163.03854	4.6
163.11148	5.2
163.14818	7.3
165.12785	3.0
166.06099	2.5
167.07042	30.4
167.14328	48.9
173.13258	13.6
177.05513	13.2
179.08536	2.8
181.04962	4.5
191.10652	2.6
191.14310	17.8
194.00369	2.8
209.04391	12.3
209.08066	11.7
209.11874	2.4
209.15373	58.5
210.11234	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	5.9
55.01871	13.4
55.05510	7.2
57.03453	2.2
57.07080	8.5
65.03938	11.8
65.53697	1.3
67.05503	16.0
69.03434	18.5
69.07063	8.7
69.38730	10.0
69.39145	3.2
71.04985	2.3
75.04483	6.7
78.04711	8.8
79.05111	1.4
79.05497	11.9
81.03417	2.6
81.07047	18.0
83.04986	17.3
83.08596	3.3
84.81184	1.2
85.02917	8.5
85.06545	8.9
85.53946	1.1
89.03909	5.6
89.06017	1.6
91.05485	42.5
93.03405	18.0
93.07043	22.5
95.04980	21.2
95.08609	12.7
97.06536	12.6
99.04444	1.6
99.08138	2.4
99.99962	1.4
103.05487	15.4
105.04463	2.1
105.07036	8.1
106.04171	52.4
107.04939	5.6
107.08594	32.7
109.06513	13.9
109.10166	4.7
111.04416	4.6
111.08068	9.8
117.03361	3.2
117.07008	3.2
118.04121	1.5
119.04937	4.4
119.08556	5.8
121.06506	57.3
121.10148	14.2
122.07307	1.3
123.04447	3.1
123.08061	9.1
123.11688	4.8
124.05182	2.0
125.05985	14.2
125.09631	54.3
131.04913	4.7
131.08566	9.3
133.02855	1.5
133.10135	8.7
134.03632	9.5
135.04407	2.7
135.08035	16.3
135.11713	7.1
137.05984	7.2
137.09607	1.5
137.13240	2.5
138.06784	2.6
139.07581	3.0
145.02841	5.2
145.10104	5.2
147.04399	3.0
147.11696	5.2
148.05185	7.2
149.05984	65.0
149.09604	7.4
149.13269	10.8
150.10376	1.6
151.03922	2.0
151.07521	2.9
151.11195	5.3
153.05447	5.6
153.09109	18.7
153.39552	1.3
158.10907	3.2
159.04387	1.6
161.09654	2.4
163.03851	2.2
163.07550	4.3
163.11188	6.1
163.14824	4.9
165.05392	1.6
165.12761	18.6
166.06308	3.3
167.07050	1.6
169.19098	1.4
173.13275	19.7
176.11984	2.7
177.05473	26.4
181.08638	10.4
191.07062	5.2
191.14304	100.0
192.14607	1.7
209.06212	2.6
209.08072	13.9
209.09763	2.1
209.15366	90.8
210.15572	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.85770	1.6
53.03933	6.2
53.95874	1.5
55.01871	9.6
55.05508	100.0
57.03439	15.7
57.07068	4.8
59.05003	3.8
65.03925	3.6
67.05495	18.0
69.03432	12.0
69.07064	84.8
70.48949	3.0
70.49309	5.5
71.04973	7.6
72.16372	1.5
75.04476	2.6
76.98069	1.5
78.04700	2.0
79.05488	20.6
81.03405	2.3
81.07054	26.1
83.01321	2.4
83.04974	53.6
83.08630	8.1
85.02890	12.6
85.06534	3.4
89.03882	2.1
91.05479	25.9
93.03382	4.7
93.06480	2.3
93.07033	30.4
95.04971	13.6
95.08604	19.6
95.09190	2.6
96.05283	1.8
97.02889	2.9
97.06522	57.7
97.10176	3.8
99.08055	2.3
103.05440	5.5
105.07027	17.2
106.04188	16.1
107.04952	3.0
107.08591	72.2
109.06516	15.0
109.10144	28.1
111.04413	6.0
111.08082	9.4
113.06002	2.3
113.09554	1.4
115.77186	1.5
117.06959	4.8
118.04157	1.8
119.04964	2.5
119.08555	11.9
121.06498	21.0
121.10139	45.3
123.04416	1.7
123.08061	31.3
123.11694	10.3
125.05972	4.7
125.09615	11.8
127.11185	18.4
131.04878	3.1
131.08556	10.2
133.10117	15.5
134.03568	2.4
135.08061	19.3
135.11684	33.2
137.09608	6.1
139.07538	4.4
139.11137	5.7
145.10120	6.7
147.11642	4.1
148.05171	2.8
149.06000	17.8
149.09592	10.4
149.13277	15.5
151.11185	29.7
153.05463	3.6
153.09103	13.4
153.12680	2.8
158.10889	5.2
163.11143	4.8
163.14809	12.3
165.12706	2.7
167.07034	6.6
167.14284	4.0
173.13261	20.7
176.11929	1.6
177.05496	8.4
181.15823	2.2
191.07013	2.0
191.10587	2.5
191.14301	47.7
209.04390	3.0
209.08025	3.5
209.09889	1.9
209.11957	3.9
209.15361	79.6
210.15793	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.5
54.29936	2.7
55.01865	4.5
55.05523	15.1
57.03430	5.6
57.07063	8.3
58.06502	2.4
59.04982	8.2
63.93855	3.2
65.03932	4.0
67.05513	20.3
69.03431	21.9
69.07072	26.1
69.41757	8.5
69.42182	18.7
70.82384	2.8
71.04995	94.6
78.04724	3.3
79.05478	15.9
81.07059	21.7
81.86240	3.0
83.04989	20.6
83.08595	9.6
85.06528	9.1
91.05467	25.0
93.03391	3.0
93.07036	33.3
95.04977	17.5
95.08601	38.8
97.06522	17.8
98.20755	4.0
99.04501	4.4
103.05488	3.3
105.07037	31.7
106.04150	9.7
107.04998	4.5
107.08595	66.9
109.06516	45.7
109.10154	33.9
111.08089	19.9
111.20781	3.0
117.07025	3.3
119.08581	18.6
121.06506	23.1
121.10151	88.8
123.08080	16.6
123.11683	15.6
125.05981	4.3
125.09634	10.9
131.08569	20.2
133.10129	40.5
135.08058	23.5
135.11661	19.4
137.09584	3.9
139.07523	8.6
139.10097	4.1
139.11188	83.8
145.10097	9.8
147.11696	19.7
149.05957	13.4
149.09625	17.9
149.13237	32.3
151.11172	65.1
153.05528	3.6
153.09105	11.3
158.10860	4.5
163.14825	17.1
165.12831	4.5
167.07004	9.2
167.14314	12.6
173.13242	30.8
177.05457	9.3
191.14305	89.7
199.94475	3.0
204.86967	3.2
209.08075	3.7
209.11870	4.1
209.15376	100.0
210.15591	4.1
220.28735	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.26165	0.5
53.03937	1.9
55.01871	6.0
55.05510	27.3
57.03426	1.3
57.07072	4.8
59.04986	0.7
60.07996	0.4
65.03936	0.9
67.05504	16.5
69.03420	1.3
69.07069	4.7
69.37049	5.1
71.04987	1.4
79.05489	14.9
81.03403	0.9
81.07056	21.1
83.04979	100.0
83.08622	4.1
85.06533	2.1
90.03075	0.5
91.05473	8.1
93.07040	27.5
95.04961	3.0
95.08601	19.3
97.06533	2.0
97.10176	1.5
99.08112	1.2
103.05444	0.9
105.07021	4.3
107.04952	1.3
107.08589	18.0
109.06522	2.2
109.10157	5.6
111.04475	0.8
111.08084	7.1
117.07025	2.0
119.08567	1.7
121.06509	2.2
121.10142	10.2
123.08087	1.1
123.11733	0.9
125.09650	1.6
131.08551	4.5
131.68501	0.5
133.10138	2.0
135.08034	4.2
135.11716	2.2
137.09665	0.8
145.10120	1.4
147.11678	1.0
148.37711	0.6
149.08600	0.5
149.09552	3.0
149.13243	9.0
153.09143	1.6
163.11232	1.0
163.14828	6.3
173.13268	2.9
177.05466	0.6
181.15871	1.0
191.10603	0.7
191.14302	4.1
209.06102	0.7
209.09625	1.4
209.11749	1.6
209.15341	8.9
209.17339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.20238	1.2
52.06022	1.1
53.03934	3.0
55.01867	7.0
55.05508	69.8
55.64282	1.3
56.96551	2.8
57.03416	1.8
57.07066	4.8
59.04984	3.9
65.03936	3.0
67.05502	11.7
69.03423	7.3
69.07077	8.9
70.06570	1.6
71.04992	6.4
72.08151	1.2
78.04716	1.5
79.05508	9.9
79.23548	1.3
80.05848	1.1
81.03413	1.7
81.07060	17.8
83.04980	100.0
83.08617	29.8
84.08132	2.3
85.02926	2.0
85.06541	3.8
89.06025	1.6
91.05475	12.2
93.07042	22.3
95.04969	25.7
95.08614	11.4
97.06523	9.4
97.10166	7.8
98.21519	2.8
98.97589	1.4
99.04473	3.7
99.08083	2.3
101.70432	1.2
103.05453	2.4
105.07025	8.5
106.04166	3.7
107.04992	2.7
107.08589	30.6
109.02807	1.5
109.06515	20.7
109.10150	21.0
111.04436	1.9
111.08078	10.3
113.09631	1.3
117.03361	1.9
117.07071	1.3
119.08593	5.1
120.08070	1.2
121.06487	8.9
121.08423	2.1
121.10143	38.4
123.08054	4.2
123.11690	8.8
125.05976	2.5
125.09625	11.8
131.04871	2.6
131.08545	2.6
133.02847	2.1
133.10139	8.4
134.03624	1.3
135.04437	2.7
135.08057	5.5
135.09103	1.2
135.11682	2.6
137.05989	2.7
137.09552	1.4
138.03174	1.5
139.11179	1.4
145.02763	1.5
145.10086	3.2
147.04375	1.3
147.11650	1.3
149.02328	3.0
149.05978	8.7
149.09566	2.6
149.13235	11.2
151.11185	27.9
153.05487	3.3
153.09113	8.1
163.03903	3.6
163.07576	1.7
163.14835	5.6
166.02647	2.4
167.14314	54.8
173.13266	4.3
177.05498	7.3
181.04941	2.0
191.03391	1.4
191.07101	1.3
191.14305	9.1
194.02045	10.9
209.04451	15.3
209.08105	3.8
209.15363	25.8
217.73621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01859	5.5
55.05510	61.7
57.03431	13.9
57.07059	8.0
59.04990	4.4
60.48799	2.3
67.05511	19.5
69.03419	9.1
69.07067	46.6
69.71127	2.2
70.85777	7.6
71.04979	2.1
72.71159	2.5
73.70344	2.2
79.05488	23.7
81.07053	23.4
83.01340	6.2
83.04979	65.7
83.08608	7.9
85.02924	12.5
85.06542	5.5
89.03915	2.6
91.05485	17.5
93.07044	31.3
95.04974	13.0
95.08601	23.9
97.06528	31.2
97.10154	4.5
103.05491	2.8
105.07041	17.9
107.04928	2.3
107.08590	92.6
107.09306	5.3
108.05769	2.8
109.06523	21.0
109.10159	28.3
111.04439	3.0
111.08072	8.3
117.06989	4.3
119.08574	9.0
120.40376	2.6
120.78134	2.0
121.06511	8.1
121.09322	3.7
121.10150	56.6
121.11025	3.7
123.08063	42.7
123.11696	17.1
125.05970	3.7
125.09646	11.0
127.11195	12.4
130.75215	2.4
131.08556	11.4
133.10147	13.1
135.08043	24.4
135.11685	48.0
137.09645	6.1
139.07565	6.9
143.08556	4.3
144.09363	2.6
145.10126	9.2
147.11700	4.4
149.05984	3.6
149.09616	12.3
149.13278	23.8
151.11182	46.8
153.05461	4.6
153.09132	11.3
153.12758	6.4
158.10936	7.6
163.14842	15.1
167.07045	3.3
167.14336	3.4
170.50121	2.4
173.13263	28.1
173.53494	2.3
177.05434	4.3
181.15886	3.8
191.14301	71.9
209.08055	4.8
209.15369	100.0
227.73933	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	6.3
55.01863	10.0
55.05508	68.3
56.96553	4.5
57.03460	10.0
65.03940	4.0
67.05492	20.9
69.03431	17.3
69.07065	61.1
70.06598	5.6
70.62863	3.7
71.04964	11.1
71.31962	9.7
79.05483	17.8
81.07049	21.0
83.04981	100.0
83.08598	6.6
85.02913	5.3
85.06534	6.0
91.05464	17.0
93.07034	31.8
95.04970	17.2
95.08607	28.8
97.06522	26.9
99.08018	5.5
105.07028	19.3
107.04932	5.4
107.08593	76.2
109.06506	16.1
109.10147	28.7
111.08072	16.1
119.04985	5.5
119.08583	16.2
121.06537	12.6
121.10153	52.4
121.71692	4.5
123.08046	24.1
123.11686	13.7
125.09657	8.3
127.11156	9.0
131.08574	13.1
133.10146	32.2
135.08041	20.4
135.11685	43.5
137.09633	8.0
139.07477	5.6
139.11148	9.7
143.08577	5.8
145.10101	10.3
147.04462	6.1
147.11688	12.4
149.09637	14.3
149.13275	24.8
151.11188	31.3
153.09096	17.9
158.10954	7.3
159.36523	4.8
163.14836	15.8
167.07042	24.6
167.14415	6.9
168.98309	3.9
173.13255	34.1
177.05400	9.6
181.00998	4.0
183.52135	4.0
189.16342	5.1
191.14310	47.5
193.78261	4.4
209.04506	8.5
209.08087	13.2
209.15367	71.8
210.11302	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	3.6
55.01849	7.5
55.05271	2.6
55.05510	42.4
57.03428	9.4
57.07055	11.1
59.04995	5.8
65.03931	3.4
67.05508	31.3
69.03426	35.2
69.07066	52.4
69.82074	5.0
69.82492	13.5
71.04990	32.8
79.05481	25.7
81.07055	44.4
81.60954	2.5
83.01302	2.9
83.04976	31.0
83.08624	12.9
85.02888	8.5
85.06522	8.0
87.04458	3.9
91.05466	25.8
93.07035	46.7
95.04969	24.7
95.08051	3.9
95.08608	49.5
97.02880	2.6
97.06520	29.7
97.10151	2.4
99.04429	5.5
99.08088	4.3
103.05437	6.7
105.07027	31.5
106.04143	10.0
107.04932	3.1
107.08585	100.0
109.06516	34.9
109.10155	42.3
111.04458	2.8
111.08059	15.5
117.06980	6.0
118.87339	2.8
119.08568	24.7
121.06528	15.7
121.10138	87.3
121.11024	4.1
122.07160	17.6
123.08067	32.6
123.11710	31.4
125.06007	6.0
125.09641	14.7
127.07526	3.0
127.11198	3.5
131.04974	4.1
131.08565	20.6
133.10118	51.6
134.10747	3.3
135.08054	24.4
135.11676	43.6
137.09616	12.6
139.07503	6.5
139.11177	23.1
143.08516	4.6
144.09319	2.6
145.10094	14.4
147.11676	16.7
149.05930	10.2
149.09631	22.6
149.13271	35.1
151.01985	10.5
151.11180	54.3
153.05466	3.1
153.09087	13.7
158.10910	6.8
163.11162	5.6
163.14824	26.6
166.15889	5.5
167.07018	7.0
167.14299	10.7
173.13263	40.7
176.11949	2.6
177.05421	11.8
180.04581	7.6
191.12665	5.5
191.14297	75.8
194.00394	5.0
209.02641	3.9
209.06084	3.1
209.07971	4.5
209.15352	86.8
210.05751	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	2.2
55.01857	8.7
55.05510	18.7
57.03428	9.3
57.07064	7.0
59.04993	5.6
60.06668	1.8
65.03935	6.8
66.73103	1.7
67.05507	34.4
69.03421	12.5
69.07059	15.1
70.91032	5.6
71.04993	26.8
79.05492	21.7
81.03415	3.9
81.07059	39.7
83.01337	4.1
83.04983	11.9
83.08626	9.4
85.02909	3.4
85.06544	5.0
86.15250	2.0
91.05486	25.8
93.03428	2.9
93.07047	41.8
95.04970	72.2
95.08608	20.3
97.02864	2.5
97.06536	25.6
97.10173	2.5
99.03869	2.5
99.04438	11.7
99.08084	3.4
103.05460	5.8
105.07024	25.0
106.04162	15.0
107.04951	5.3
107.08591	52.1
109.06518	100.0
109.10149	25.0
111.04434	3.5
111.08070	12.9
111.46220	2.0
117.07013	5.7
119.04948	1.8
119.08574	13.1
121.06509	19.9
121.10144	56.9
123.08057	20.0
123.11678	8.3
124.05145	2.1
125.05995	3.0
125.09638	10.4
129.07047	2.1
131.04893	2.9
131.08565	14.0
133.10141	32.3
135.04382	3.1
135.08044	23.6
135.11694	14.8
137.05927	2.8
137.09637	2.1
139.07553	4.8
139.11203	18.6
143.08583	3.2
145.02840	2.6
145.10109	17.7
147.08026	2.6
147.11681	8.4
148.05211	2.4
149.05989	21.0
149.09608	10.7
149.13289	13.7
151.07646	2.4
151.11168	22.9
153.06984	1.7
153.09109	34.4
158.10884	3.9
159.04439	2.5
163.07626	3.0
163.11209	22.6
163.14827	8.4
167.07008	4.6
167.14359	5.9
173.13248	20.5
177.05507	8.9
181.08589	4.2
191.07004	2.6
191.10693	4.5
191.14305	46.3
200.41704	1.8
209.04460	2.6
209.08066	5.5
209.11716	3.0
209.15359	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.2
54.38095	1.3
55.01866	8.1
55.05511	11.3
57.03416	5.8
57.07074	12.6
59.04985	3.1
59.71462	1.4
60.36282	1.3
65.03928	4.3
65.30683	1.3
67.05180	1.6
67.05503	18.9
69.03423	20.6
69.07059	11.5
70.92570	1.8
70.92936	4.3
71.01292	1.3
71.04977	4.2
75.04466	2.4
78.04681	2.5
79.05070	1.6
79.05495	20.8
81.03409	3.7
81.07056	27.3
83.04983	19.1
83.08603	4.9
85.02899	2.9
85.06543	7.6
89.03925	2.1
91.05476	25.5
93.03417	6.8
93.07058	24.8
95.04965	24.0
95.08615	17.6
97.02867	2.1
97.06537	25.9
97.10136	1.5
98.21529	1.6
99.04442	3.5
103.05460	7.1
105.04455	1.7
105.07025	13.3
106.04180	17.1
107.04944	5.2
107.08598	36.8
109.06515	75.0
109.10136	10.7
111.04432	4.5
111.08077	12.3
117.03381	2.8
117.06995	2.9
119.04953	4.0
119.08571	12.5
121.05678	2.4
121.06512	23.9
121.10142	22.7
123.04392	1.6
123.08083	13.4
123.11720	6.8
125.06032	6.5
125.09629	58.0
131.04904	4.9
131.08577	10.1
133.10123	13.9
134.03633	3.1
135.04424	1.7
135.08037	22.7
135.11674	10.3
137.05951	3.0
137.09671	2.0
137.13283	1.8
139.07504	1.7
139.11191	2.0
143.08525	2.1
145.10091	7.7
147.11656	5.7
148.05162	3.4
149.04924	2.7
149.05989	22.7
149.09622	10.4
149.13278	13.7
151.07454	1.6
151.11153	6.8
153.05435	2.7
153.09103	29.6
158.10886	5.4
161.09657	1.6
163.07489	2.2
163.11180	7.8
163.14807	8.2
165.12747	26.2
167.07101	2.1
173.13272	18.6
176.11926	2.8
177.05505	12.9
181.08607	3.8
191.07069	1.5
191.14307	85.5
192.14690	2.2
209.08020	8.1
209.15359	100.0
210.15727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.01610	0.4
51.02371	0.8
53.03938	4.0
55.01870	18.7
55.05508	41.7
57.03432	5.9
57.07071	2.3
59.05020	0.4
65.03936	4.7
67.05502	54.6
68.05818	0.5
69.03427	5.2
69.07064	21.8
69.51483	1.2
69.51909	1.7
71.04987	8.1
73.02905	4.3
77.03905	0.8
79.05488	82.0
80.05833	0.9
80.06243	0.4
81.03416	9.2
81.07052	55.9
82.07391	0.6
83.01346	1.2
83.04979	10.8
83.08615	18.8
85.02895	1.1
85.06524	1.5
85.11507	0.4
87.04425	0.4
91.05475	32.1
92.05811	0.6
93.03400	1.9
93.07039	100.0
94.07339	1.8
95.04963	24.0
95.08601	96.0
96.08926	1.6
97.02888	9.2
97.06522	8.4
97.10168	1.1
99.04450	9.9
103.05470	3.4
105.04548	2.2
105.07027	20.3
106.07383	0.5
107.04951	25.3
107.08588	60.5
108.08913	1.3
109.06513	5.8
109.10143	4.7
111.04438	4.2
111.08060	2.8
113.05978	1.4
113.09653	0.7
115.05441	2.6
116.06246	1.5
117.07013	27.0
119.08577	17.2
119.09451	0.7
121.06502	14.5
121.10139	19.0
121.22957	0.4
123.04436	0.4
123.08044	1.0
125.05977	4.0
127.07525	0.8
128.06210	1.4
129.06985	1.3
130.07779	7.6
131.04900	0.6
131.08530	1.6
133.10124	4.4
134.07265	0.6
135.08069	6.0
135.11684	69.5
136.12036	1.7
139.07524	2.5
143.08554	2.8
145.06454	1.1
145.10114	49.9
146.10434	1.4
147.08040	0.6
149.05888	0.6
153.09117	0.4
153.12738	0.9
155.08549	0.9
158.07289	0.5
163.11172	48.7
164.11510	1.4
173.09610	1.2
177.05504	0.8
181.12189	2.4
209.11823	0.6
209.15334	2.0
227.12790	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	209.0807
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03944	7.8
55.01870	17.7
55.05505	4.3
56.51369	1.4
57.03450	2.0
57.07075	1.8
62.38827	1.3
65.03944	15.1
67.05506	10.0
69.03425	6.0
69.07064	4.6
70.69028	4.6
71.04973	2.2
74.02126	1.3
75.04482	10.7
77.03924	1.6
78.04711	15.8
79.05498	12.5
81.03417	3.4
81.07062	10.1
83.04987	5.5
83.08619	2.6
85.02898	11.9
85.06554	2.8
85.74165	1.2
89.03920	8.9
89.06054	2.1
89.86288	1.4
91.05481	51.7
92.51398	1.3
93.03405	31.6
93.07040	25.1
94.00741	1.2
95.04967	24.3
95.08614	8.5
97.06533	13.2
99.04468	2.2
103.05472	23.9
105.03410	3.3
105.04536	3.5
105.07031	7.1
106.04170	81.5
107.04956	5.9
107.08598	17.1
109.06518	7.7
109.10167	3.0
110.03622	1.5
110.07298	2.1
111.04445	4.5
111.08092	3.4
114.26439	1.3
117.03390	6.2
118.04131	2.7
119.04933	6.3
119.08601	4.7
121.06501	75.4
121.10156	8.1
123.04440	5.7
123.08052	5.0
123.11655	1.8
124.05198	4.1
125.06005	20.7
125.09616	7.5
131.04936	10.0
131.08568	2.5
133.02824	2.2
133.10159	5.3
134.03622	16.4
135.04419	6.0
135.08078	5.5
135.11728	5.9
137.05959	11.1
137.09622	1.6
138.06741	4.3
139.07544	6.0
145.02847	6.2
145.10153	2.8
147.04433	2.0
147.11676	2.3
148.05161	9.9
149.05980	100.0
149.13284	4.7
151.07559	3.2
151.11180	2.2
153.05482	11.0
153.09109	17.8
159.04395	2.5
163.03899	3.4
163.07532	6.7
163.11192	3.4
163.14789	9.6
165.05547	2.5
165.12758	4.0
166.06241	3.8
167.07053	2.6
173.13277	3.7
177.05481	41.3
177.07059	2.0
180.07703	1.6
181.06992	2.2
181.08615	18.2
191.07010	8.5
191.14299	16.0
194.05827	1.9
209.08058	19.2
209.09897	1.5
209.11601	1.9
209.13423	2.7
209.15343	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02378	1.8
53.03944	11.4
55.01867	23.3
55.05514	15.5
57.03430	3.1
57.07055	4.2
57.53533	1.4
58.01978	1.5
65.03937	17.6
67.05503	19.7
69.03430	5.2
69.07069	5.8
70.88779	4.6
71.01348	2.1
71.04988	6.5
73.02898	1.5
74.40316	1.8
75.04475	9.1
78.04722	14.0
79.05492	25.3
81.03418	9.7
81.07047	19.0
82.04197	2.8
83.04975	13.8
83.08621	6.3
83.53342	1.4
85.02901	12.5
85.06538	3.0
89.03893	8.5
89.06036	4.2
91.05476	61.0
93.03399	35.7
93.03975	2.7
93.07043	38.0
95.04965	37.6
95.08601	22.4
97.02890	11.1
97.06517	18.5
97.10170	3.1
99.04479	3.4
99.08089	2.2
103.05454	22.9
105.03397	4.6
105.04525	3.4
105.07030	8.9
106.04167	95.9
107.04984	11.2
107.08582	17.3
108.05741	2.9
109.06532	13.3
109.10156	4.6
111.04431	8.7
111.08083	3.8
111.86108	1.6
116.68109	1.5
117.03374	6.3
117.07024	7.2
118.04156	2.3
119.04935	6.2
119.08591	7.0
121.06498	91.6
121.10142	10.7
122.03661	2.2
122.07343	2.5
123.04427	6.8
123.08064	6.8
124.05199	4.4
125.05980	27.1
125.09621	5.4
130.07777	1.7
131.04903	11.0
131.05826	1.9
131.08582	4.6
133.02885	2.4
133.06516	2.6
133.10071	1.9
134.03619	16.8
135.04404	6.8
135.08116	4.0
135.11694	14.4
137.05986	14.5
138.06770	4.8
139.07536	6.0
139.26840	1.7
145.02849	7.4
145.10118	10.1
146.03571	1.6
147.04420	3.4
147.08131	2.2
148.05206	10.5
149.05977	100.0
149.09634	4.9
149.13260	4.0
151.07515	4.2
151.11131	3.2
152.08109	2.0
153.05467	7.5
153.07045	1.6
153.09091	20.9
153.12675	2.3
159.04456	2.4
163.03972	3.3
163.07547	5.6
163.11192	14.2
163.14766	3.3
164.04782	1.8
165.12741	1.9
166.06297	3.5
167.07097	3.2
167.14389	1.7
173.09644	3.0
173.13225	2.3
176.04831	2.1
177.05463	39.6
179.08600	2.4
181.08597	15.8
182.18752	1.8
191.07050	7.1
191.10710	5.1
191.14343	5.4
194.11053	1.9
204.27022	1.7
209.04460	2.3
209.08110	21.2
209.09683	2.4
209.11722	7.8
209.15326	24.2
209.17105	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.00313	1.2
53.03948	7.6
55.01875	13.1
55.05512	8.0
57.03437	3.4
57.07088	2.2
59.52740	0.9
65.03942	19.8
67.05504	13.1
68.58144	1.0
69.03425	5.2
69.07059	5.5
69.95477	4.2
69.95892	2.2
71.04996	8.1
71.05342	1.6
71.24967	1.2
75.04482	13.3
77.03940	2.2
78.04706	15.6
79.05496	16.2
81.03427	4.1
81.07056	12.1
82.04208	1.8
83.04982	10.5
83.08614	3.5
85.02899	9.9
89.03900	8.6
89.06029	2.4
91.05479	61.3
92.05817	1.2
93.03407	35.2
93.07040	29.5
95.04365	2.1
95.04971	38.7
95.08617	9.2
96.05729	1.5
97.02899	1.9
97.06529	19.7
98.21476	2.1
99.04466	3.7
103.05459	22.7
105.03402	3.2
105.04529	2.6
105.07018	7.7
106.04173	100.0
107.05003	8.1
107.08586	12.9
108.02120	1.5
108.05735	1.8
109.06517	21.8
109.10163	7.7
110.07295	1.8
111.04440	5.6
111.08092	3.2
115.05496	1.4
117.03378	5.5
117.06985	1.9
118.04171	3.3
119.04974	6.7
119.08594	3.7
120.05690	1.7
121.06503	93.5
121.10136	12.0
122.07323	3.0
123.04430	6.7
123.08048	9.7
123.11718	2.2
124.05209	5.6
125.05979	23.4
125.09671	2.5
131.04903	7.4
131.08611	3.5
133.02937	1.8
133.06454	1.3
133.10135	6.0
134.03650	14.8
135.04436	7.0
135.08038	6.1
135.11705	3.5
136.04704	1.8
137.05965	15.6
138.06769	4.8
139.07553	8.1
139.11188	5.1
145.02811	6.1
145.10127	4.3
147.04347	1.8
147.11652	3.7
148.05211	8.6
149.05980	95.4
149.13263	3.8
150.06482	1.6
151.03920	2.0
151.07512	3.9
151.11119	5.7
153.05428	8.1
153.09102	22.5
159.04443	2.0
162.03152	1.8
163.03961	1.4
163.07571	5.0
163.11206	4.9
163.14813	2.0
165.05521	1.7
166.06252	4.3
167.07033	9.5
167.14372	3.2
173.13297	4.3
177.04021	1.2
177.05464	34.4
181.08591	16.3
191.07027	4.3
191.10678	1.5
191.14325	8.3
209.06233	2.1
209.08093	16.1
209.09929	1.5
209.11649	1.8
209.13510	1.8
209.15387	16.5
209.17171	2.1
209.46964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02384	1.2
53.03943	9.0
55.01860	1.3
55.05516	8.0
65.03949	1.5
67.05506	26.5
69.07072	7.2
69.95010	3.7
71.04979	2.7
73.06555	1.3
77.03916	2.5
79.05493	54.1
80.05836	1.3
81.07056	25.5
83.04959	2.6
83.08604	2.0
85.06525	2.3
85.84774	1.0
91.05483	63.3
93.07045	100.0
94.07343	1.1
95.04967	21.4
95.08609	8.1
96.07119	1.0
97.06550	1.3
97.10162	1.4
105.04514	3.5
105.07031	33.9
107.08590	12.2
109.06534	4.6
109.10169	1.2
117.07001	6.7
119.04915	1.4
119.07788	1.8
119.08575	20.3
121.06481	1.9
121.10190	1.8
123.08059	3.6
127.07530	2.0
128.06195	2.5
129.07014	11.2
131.08597	1.7
132.48921	1.2
133.10139	6.8
135.04391	1.2
135.08043	1.5
142.09634	0.9
143.08582	7.7
145.10109	9.7
147.08031	1.7
147.11687	72.5
148.12057	1.4
161.09654	4.9
161.13281	7.1
171.11684	17.0
171.84935	0.9
189.12741	10.1
207.06490	1.4
207.13795	13.7
210.82544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02384	1.4
52.51383	0.5
53.03946	6.0
55.01869	2.1
55.05265	0.6
55.05510	8.0
57.07072	0.6
65.03935	2.2
67.05505	27.5
69.07072	6.6
70.65138	1.0
70.65492	1.3
71.05000	2.8
73.06548	1.3
77.03924	1.5
79.05494	50.5
80.05820	1.0
81.03407	1.5
81.07058	24.8
83.04527	0.5
83.04965	2.9
83.08622	2.5
85.02916	0.8
85.06542	2.4
91.05482	61.6
93.07044	100.0
94.07384	1.7
95.04968	20.5
95.08604	8.3
97.06525	3.3
97.10176	0.8
99.08059	0.6
101.06001	0.6
103.05446	0.9
105.04539	3.1
105.07033	31.0
107.04972	1.2
107.08594	10.1
109.06515	4.0
109.10167	1.5
111.08088	0.8
115.05427	1.0
116.97270	0.6
117.07014	5.8
119.04974	1.3
119.08576	17.4
121.06497	1.8
121.10159	2.3
123.08067	4.3
127.07552	1.2
128.06224	1.6
129.07018	10.2
130.07744	0.8
131.08575	1.7
133.06508	0.9
133.10130	6.5
135.04405	2.5
135.08131	0.5
135.11671	1.3
137.09608	0.7
143.08559	6.8
145.10129	8.9
147.04401	0.9
147.08072	2.7
147.11690	61.1
148.11963	0.6
156.09364	1.2
161.09605	4.0
161.13232	8.3
163.11232	0.7
164.96959	0.6
165.09166	0.5
171.11690	19.5
178.63174	0.6
189.12744	12.2
207.06488	1.4
207.08455	0.5
207.10225	1.2
207.13792	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	208.0718
Annotation	Methyl 5-hydroxy-2-benzimidazole carbamate
Peak:m/z	Relative Intensity
52.99008	0.2
53.03915	0.3
53.75711	0.2
54.11011	0.2
56.96547	0.5
67.05496	0.3
69.03429	0.3
69.07053	0.3
69.46077	0.5
69.46482	1.2
79.05479	0.3
80.05028	3.3
81.07031	0.6
84.04523	0.3
85.02877	0.2
91.05465	0.9
92.05796	0.7
93.07030	0.5
95.04990	0.3
95.08598	0.2
97.06470	0.2
98.20809	0.4
98.97540	0.2
105.07051	0.3
106.06589	0.3
106.07355	0.3
107.04920	0.4
107.08589	0.3
108.04469	1.1
109.06462	0.2
116.78348	0.2
119.04924	0.3
120.04499	0.2
120.05333	0.5
120.08109	0.3
121.06507	0.4
124.08387	0.3
133.03935	0.3
137.05943	0.5
147.04323	0.4
148.05061	11.0
149.05859	0.8
150.10016	0.2
151.05006	0.2
159.04282	1.3
162.09082	0.3
163.03854	0.6
164.07143	0.4
165.05301	0.4
165.09085	0.6
166.04922	0.2
167.07042	0.5
176.04559	100.0
177.04974	1.1
180.07764	1.1
186.04161	0.3
190.13011	0.2
191.06960	0.7
208.07196	20.4
208.09583	0.7
208.14024	0.4
209.07851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02369	1.4
53.03941	6.5
53.11539	1.2
55.01868	22.7
55.05513	10.7
57.03418	4.6
57.07067	10.3
59.04971	1.7
65.03656	2.1
65.03934	19.0
66.04723	1.6
67.05499	21.9
69.03423	22.2
69.07069	8.7
69.72143	8.5
69.72794	1.5
71.04974	3.1
75.04480	11.4
78.04381	1.1
78.04708	11.2
79.05489	20.8
81.03410	3.2
81.07056	23.7
83.04982	15.0
83.08600	4.0
85.02909	9.7
85.06524	6.4
89.03894	8.1
89.06038	2.4
91.05474	61.9
93.03406	31.7
93.07039	31.9
95.04958	34.4
95.08595	16.7
97.02856	2.6
97.06523	17.4
99.04444	2.0
99.08089	2.3
103.04788	2.2
103.05462	30.5
105.03379	3.7
105.04515	3.8
105.07017	14.2
106.04171	84.6
107.04980	7.2
107.08585	37.5
108.05717	3.1
109.06528	19.8
109.10142	6.4
111.04404	5.4
111.08080	11.2
117.03391	6.1
117.06989	2.9
118.04135	2.6
119.04916	6.1
119.08566	7.9
120.05625	1.9
120.80755	1.6
121.02815	1.4
121.06497	85.8
121.10132	19.5
123.04417	4.5
123.08070	11.9
123.11720	6.5
124.05200	5.1
125.05989	24.8
125.09621	49.3
131.04942	13.3
131.08546	7.3
133.02838	2.8
133.06487	4.1
133.10112	7.6
134.03636	16.3
135.04390	4.1
135.08069	14.9
135.11673	10.0
135.17502	1.3
137.05972	11.8
137.13211	1.6
138.03139	1.6
138.06734	4.3
139.07539	8.1
143.08572	2.9
145.02844	9.0
145.10094	4.6
147.04388	3.4
147.11661	3.8
148.05179	10.3
149.05971	100.0
149.09651	8.5
149.13260	12.1
151.03899	2.4
151.07523	4.0
151.11147	5.1
152.04572	1.6
152.08348	2.0
153.05496	9.8
153.06526	1.4
153.09105	24.6
157.06076	1.5
158.10912	2.3
159.04440	3.7
161.09656	3.1
163.03937	2.7
163.07544	6.9
163.11191	7.0
163.14810	5.6
165.05545	2.3
165.12776	16.7
166.06241	4.7
166.07610	2.0
167.06996	2.3
173.13269	16.6
176.04626	4.3
176.12018	1.9
177.05470	47.3
179.08524	1.4
181.08574	19.4
191.07039	10.6
191.14294	98.3
194.05711	3.2
202.10008	1.4
209.04436	1.5
209.06137	0.8
209.08060	24.6
209.09772	2.8
209.15356	89.7
212.06480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01870	2.3
55.05505	12.4
56.96561	1.9
57.03433	2.4
57.07060	6.7
59.04985	4.0
65.03952	9.6
67.05181	3.2
67.05505	44.1
69.03428	13.4
69.07043	6.5
71.04973	5.8
71.05631	3.8
71.05962	2.5
77.03920	2.1
79.05497	14.2
80.06258	1.8
81.07066	20.5
83.04957	8.3
85.02904	51.3
85.06553	9.5
89.03899	5.3
91.05479	76.3
93.07040	25.7
95.04955	10.7
95.08607	100.0
97.06564	2.5
98.97591	4.4
103.05458	4.8
105.07035	43.6
107.04930	7.7
107.08601	32.2
109.06496	24.4
109.10162	14.0
113.05927	3.3
115.05422	3.1
116.98605	2.8
117.06990	7.2
118.04174	3.3
119.04939	49.7
119.08576	51.2
120.09322	3.8
121.02826	1.9
121.06503	10.0
121.08400	3.3
121.10141	32.3
123.08068	64.8
123.11706	39.2
125.06003	5.9
128.18285	1.9
129.07002	4.1
130.07748	2.1
131.08577	12.6
132.02042	3.4
133.06464	5.0
133.10159	13.9
135.08038	7.5
135.11688	4.0
136.05203	2.8
137.09616	6.5
139.07419	1.9
141.06915	4.5
143.08588	6.6
145.06412	2.3
145.10129	10.0
146.03618	2.7
146.10870	2.4
147.04411	42.0
147.08069	11.7
147.10519	2.9
147.11674	38.3
149.02293	6.5
149.09624	81.7
151.07539	8.0
151.14780	3.6
156.09393	11.8
157.03979	2.9
159.08031	5.5
159.11739	2.1
160.08861	4.0
161.09644	5.7
161.13257	26.1
163.11214	9.4
164.04712	2.9
165.09116	2.9
165.12740	14.2
171.11679	6.2
174.10384	10.3
175.03897	35.7
179.06989	6.1
179.14326	3.0
189.12727	42.0
192.04143	5.1
207.06502	12.0
207.13806	71.6
208.14182	2.6
216.85901	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05508	2.1
57.07067	2.0
66.38559	0.8
67.05509	4.7
69.03438	1.4
69.07066	1.9
70.15033	2.5
70.15431	1.7
71.04971	1.1
73.32609	1.0
79.05490	4.2
81.07059	17.3
85.02904	100.0
91.05474	11.0
93.07040	5.7
95.04977	1.8
95.08605	6.3
104.94514	0.9
105.07019	8.7
107.08603	5.5
109.06516	2.4
109.10152	15.1
111.04440	1.8
117.07045	1.0
119.04951	5.4
119.08572	9.5
121.06494	1.3
121.10126	10.4
123.08052	2.2
123.11704	61.5
124.11997	1.2
125.06001	12.8
129.06966	1.4
131.08548	3.0
133.06470	0.8
133.10068	1.4
141.05463	1.6
143.08652	1.1
145.10089	3.2
147.04379	7.1
147.08041	3.5
147.11707	10.3
149.09622	13.2
151.07545	3.5
156.09355	2.3
161.05954	1.4
165.12715	1.8
169.08615	1.5
171.11653	2.0
174.10448	1.0
175.03981	5.1
178.62306	0.9
179.07045	1.0
189.12729	10.0
207.06551	2.5
207.13803	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	4.1
55.01855	4.0
55.05511	11.2
55.88378	1.5
57.03415	2.1
57.07059	5.8
59.04983	2.1
65.03938	8.3
67.05504	45.2
69.03426	12.2
69.07069	10.7
70.53850	5.2
71.04972	4.8
77.03925	3.3
79.05493	16.6
81.03425	2.5
81.07058	24.8
83.04971	10.3
83.08624	2.8
85.02905	26.9
85.06542	7.4
89.03922	2.8
91.05479	85.1
93.07050	26.3
94.06576	1.9
95.04979	12.5
95.08606	100.0
96.08917	1.8
97.06546	3.0
103.05483	9.5
104.05803	4.6
105.03358	3.1
105.07028	49.1
107.04946	10.9
107.08595	35.4
109.06516	25.3
109.07635	2.1
109.10135	10.8
110.06048	1.9
111.04482	1.7
111.08073	4.4
113.05956	2.6
115.05424	2.3
117.07008	5.7
118.04167	6.2
118.06544	3.9
119.04946	58.2
119.06807	8.3
119.08578	61.4
120.08112	21.6
121.06499	7.0
121.08450	40.0
121.10142	31.0
123.04414	3.0
123.08069	70.8
123.11707	21.3
125.05944	1.5
125.09602	2.6
128.06229	3.6
129.06996	4.1
130.07816	3.1
131.04871	1.7
131.08569	9.3
132.02063	4.3
133.06477	6.0
133.10133	18.9
134.03607	2.1
135.04396	3.8
135.08041	5.8
135.11693	4.8
136.05156	2.9
137.05989	2.5
137.09630	8.7
137.13254	3.4
139.07556	2.9
143.08556	5.3
145.06613	1.9
145.10135	10.7
146.03606	6.4
146.07211	2.3
146.10893	2.5
147.04408	41.1
147.06349	6.4
147.08038	16.4
147.11687	42.1
148.07555	4.2
149.02341	9.6
149.09605	49.6
151.03914	1.9
151.07541	9.4
151.11121	2.4
151.14783	3.5
155.59334	1.8
156.09326	7.9
157.03947	3.9
159.08084	4.6
159.11790	1.7
160.08759	2.6
161.05984	4.3
161.09621	9.1
161.13240	31.9
162.05431	2.6
163.03824	2.2
163.07591	1.8
163.11189	13.3
164.04671	7.3
165.09113	5.7
165.12761	19.7
171.11717	9.7
174.03099	2.4
174.10356	9.8
175.03896	43.0
179.07065	10.5
179.14336	3.3
180.06430	1.9
189.05457	1.9
189.07516	3.1
189.09094	3.9
189.12743	38.2
192.04138	9.2
207.02849	2.9
207.06523	30.6
207.08315	3.2
207.10164	2.9
207.11871	3.6
207.13808	60.6
207.17064	2.6
208.05940	2.0
208.09630	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.4
55.01857	1.4
55.05505	1.9
57.07059	1.1
63.02341	0.9
64.03168	0.7
65.03933	10.8
67.05508	4.8
67.98974	0.7
69.03416	2.8
69.07066	1.3
71.04980	1.1
71.21920	0.7
71.59080	1.3
76.03144	1.0
77.03904	3.4
79.05485	6.2
80.06273	1.3
81.03405	0.8
81.07054	8.1
83.04980	2.0
85.02898	26.0
85.06531	1.3
85.22816	0.7
86.14108	0.7
89.03910	5.3
90.04706	1.9
91.05476	100.0
92.05798	2.3
93.03387	1.2
93.07042	6.7
95.04959	5.1
95.08080	0.8
95.08596	5.0
97.06542	0.8
98.97593	0.8
103.05453	2.0
104.02601	1.3
104.91882	0.6
105.03388	1.4
105.07015	15.5
105.29385	0.6
107.04962	3.8
107.08586	8.2
108.05724	0.8
109.06506	4.3
109.10137	5.7
111.35779	0.7
115.05435	0.7
117.03403	0.8
117.07018	2.5
118.04165	5.7
119.04932	90.1
119.08564	14.1
119.09330	0.6
120.05271	2.6
121.02870	1.9
121.06488	2.6
121.10139	8.3
122.03636	1.0
123.04427	1.0
123.08057	5.8
123.11689	15.5
125.05996	2.4
128.06229	1.5
129.03346	1.9
129.07024	1.0
130.07776	0.7
131.04921	1.0
131.08568	3.9
132.02066	6.4
133.02856	1.4
133.06483	2.3
133.10126	5.7
134.03572	1.0
135.04416	4.8
135.08029	0.8
136.05269	3.6
137.05983	1.0
137.09622	4.8
141.05470	0.7
141.06956	1.0
143.08556	2.9
145.02821	2.2
145.06511	0.7
145.10184	4.2
145.11150	0.7
146.03613	3.1
146.10892	1.5
147.04398	62.5
147.08028	4.9
147.11685	13.6
148.04770	1.5
149.02347	10.1
149.09610	21.9
150.03107	1.4
151.07523	2.5
156.09293	3.8
157.03976	6.4
159.08069	1.7
161.05984	2.0
161.09622	4.6
161.13281	5.2
162.03108	1.3
163.03905	0.8
163.11232	2.5
164.04691	7.1
165.09132	1.7
165.12772	1.7
171.11690	2.0
173.09698	0.7
174.03108	2.0
174.10353	1.9
175.03899	59.1
176.04298	2.9
178.02643	0.8
179.07005	9.0
189.09071	1.3
189.12711	12.0
192.04164	8.7
207.06502	21.0
207.10103	1.6
207.13797	19.1
207.15733	1.2
207.17477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	0.9
55.05509	1.6
57.07074	2.1
58.55127	0.8
61.33659	0.7
65.03925	1.0
67.05502	6.9
69.03407	0.9
69.07064	1.8
70.58363	2.7
71.04989	1.0
79.05500	4.2
81.07055	20.1
83.04975	0.8
85.02903	100.0
85.32456	0.7
86.03219	0.8
91.04899	0.8
91.05476	16.4
93.07039	5.5
95.04958	1.8
95.08611	7.1
105.07029	11.4
107.04937	1.2
107.08601	6.9
109.06495	2.9
109.10153	18.9
111.04438	1.6
115.05479	0.8
117.07005	1.3
118.04084	1.0
119.04940	10.2
119.08563	9.8
119.97180	0.8
121.06510	1.3
121.10137	12.5
123.04396	1.0
123.08053	3.2
123.11707	65.7
125.05986	13.5
131.08549	3.0
133.06497	1.1
133.10124	0.8
135.04413	0.8
137.05994	1.0
137.09499	1.0
139.07533	1.4
141.05447	2.5
145.10092	4.7
146.10861	1.2
147.04402	9.8
147.08076	4.4
147.11681	11.5
149.02351	1.6
149.09627	13.9
151.07559	4.0
156.09288	3.1
159.08032	1.9
161.13229	1.8
163.11177	1.3
165.12749	2.1
169.08626	2.4
171.11748	1.5
174.10379	1.4
175.03940	8.4
179.06949	0.9
179.14336	1.0
189.12729	9.5
192.04083	1.6
207.06543	2.7
207.13792	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	207.1016
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	1.7
55.05506	1.0
56.96563	1.5
57.03441	0.5
57.07067	1.1
59.04992	0.3
62.92763	0.2
63.36309	0.2
65.03949	1.3
65.04249	0.2
67.05505	4.0
69.03434	0.5
69.07067	0.9
69.80438	0.2
69.81126	1.0
71.04989	0.9
73.06551	0.8
77.03932	0.5
79.05495	13.6
81.03410	3.3
81.07063	1.7
83.04990	0.5
83.08614	0.3
85.06543	2.3
89.03933	0.7
91.05482	9.5
93.07044	2.1
95.04969	6.1
95.05557	0.4
95.08628	1.2
97.02882	0.3
97.06540	0.7
103.05472	0.6
104.44131	0.2
105.04507	0.7
105.07032	4.2
107.04955	7.9
107.08595	1.1
109.02870	3.0
109.06496	0.4
111.08112	0.2
115.05479	0.6
115.96425	0.3
116.03094	0.3
116.97206	0.3
117.03370	0.6
117.07021	1.0
119.04942	2.3
119.08593	2.8
121.06536	0.9
121.10120	0.4
123.04430	12.5
123.08043	0.4
128.06238	2.9
129.06995	0.5
131.04907	0.3
131.08601	0.5
132.05730	0.5
133.06496	0.9
133.10143	2.3
133.97534	0.3
135.04416	100.0
136.04709	1.2
137.06049	1.3
143.08549	3.2
145.06487	0.7
145.10127	0.6
146.07245	0.5
147.03235	0.5
147.04404	9.6
147.08047	15.4
147.11687	0.7
149.02359	0.3
149.06038	0.3
149.09625	0.3
151.07445	0.3
153.05489	0.7
153.06816	0.4
158.05905	0.2
161.05992	0.5
161.09624	4.3
161.13242	0.3
163.07085	0.8
164.04759	0.3
165.05476	0.4
171.08049	4.7
174.06776	0.8
175.03928	0.3
175.08865	0.5
176.07127	0.3
179.07039	0.4
184.09323	0.9
189.09113	23.2
190.09383	0.4
192.04124	0.3
193.09900	0.5
205.34933	0.2
207.06615	0.8
207.10168	30.0
207.13779	2.1
208.06108	0.3
208.10422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
50.53454	0.4
51.02385	0.5
53.03942	1.7
55.01865	1.9
55.05492	0.4
56.96535	0.5
57.03413	0.6
57.07074	1.4
59.05011	0.6
65.03930	2.4
67.05500	3.1
69.07050	0.5
69.30997	1.6
69.31421	2.3
71.04999	1.0
73.06548	1.2
77.03905	0.7
79.05488	14.5
81.03414	0.9
81.07051	1.7
85.06548	2.8
89.03926	0.6
91.05477	14.9
93.07049	3.0
95.04960	7.0
95.08635	0.8
103.05457	1.6
105.03399	0.5
105.04512	0.8
105.07033	5.6
107.00108	0.5
107.04280	0.7
107.04951	8.1
107.08591	0.9
109.02919	0.5
109.06485	0.8
115.05418	0.7
117.07037	0.9
119.04953	7.6
119.08568	4.5
121.06482	1.2
123.04423	14.7
123.08073	0.6
128.06209	3.8
129.06998	1.0
131.04938	0.6
131.08517	0.6
132.05681	0.8
133.06496	1.1
133.10109	2.8
135.04408	100.0
136.05098	0.7
137.05992	1.2
143.08566	4.6
145.06499	1.0
146.03616	1.4
146.07292	1.2
147.04401	20.0
147.08043	30.5
147.11632	1.8
149.02322	3.2
149.05954	0.9
151.07515	1.3
153.05495	0.7
161.05974	0.6
161.09607	5.5
163.03865	0.5
164.04688	4.0
165.05446	0.5
171.08040	9.4
174.03043	0.8
174.06749	2.3
175.03868	1.2
179.07030	2.4
189.09097	41.2
190.09523	0.7
192.04134	1.8
207.06653	7.0
207.10153	35.6
207.13528	1.0
207.17407	0.5
208.10350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
51.02400	0.4
53.03949	1.9
53.30142	0.3
55.01869	1.5
55.05512	0.4
57.07069	0.8
65.03958	1.0
67.05505	2.4
69.07080	0.4
70.54469	0.8
71.05010	0.7
73.06564	0.8
77.03938	0.6
79.05493	12.7
80.47767	0.3
81.03420	0.7
81.07043	1.3
85.06549	2.3
89.03906	0.6
91.05478	6.9
91.90028	0.3
93.07068	1.1
93.78189	0.3
95.04971	4.5
95.08612	0.6
103.05481	0.7
105.04498	0.9
105.07038	3.1
107.04951	6.3
107.05621	0.5
107.08595	0.6
109.02909	0.9
109.06541	0.4
115.05453	0.6
115.96461	0.4
116.97181	0.3
117.03406	0.4
117.07006	0.7
119.04949	2.1
119.08586	2.2
121.06498	0.5
123.04428	11.5
123.05335	0.6
123.08083	0.4
128.06226	2.6
131.05011	0.4
131.08566	0.3
133.06519	0.8
133.10126	1.8
134.64508	0.3
135.04414	100.0
136.04779	1.0
137.05983	0.5
143.08574	2.6
145.06476	0.3
146.07233	0.4
147.04405	9.3
147.08049	13.3
147.09239	0.7
147.11697	0.6
149.02345	0.4
149.06023	0.6
151.03952	0.5
153.05487	0.8
161.06073	0.7
161.09628	4.2
171.08046	4.0
174.06787	1.2
179.07214	0.3
189.09106	23.6
190.09564	0.4
207.06645	0.9
207.10167	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	207.1015
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
53.03946	2.2
55.01875	2.2
55.05514	1.4
56.96564	1.4
57.07080	1.6
59.05013	0.4
64.62054	0.4
65.03941	1.7
67.05502	3.8
67.34721	0.4
69.03423	1.0
69.07053	0.9
69.31705	4.5
71.04998	0.9
73.06580	0.5
77.03943	1.2
79.05493	16.1
81.03389	1.0
81.07047	1.9
83.08642	0.5
85.06532	3.1
89.03914	0.7
91.05482	17.0
92.05810	0.5
93.07039	2.7
95.04975	7.3
95.08601	1.7
97.06550	0.6
98.21523	0.8
103.05447	1.5
104.02681	0.4
105.04520	0.7
105.07035	7.1
107.04953	8.5
107.08578	1.2
108.67749	0.4
109.02879	0.8
109.06549	1.3
109.10154	0.6
115.05452	0.9
115.96452	0.9
117.07027	1.6
118.04145	0.8
119.04932	7.0
119.08607	5.1
119.88502	0.5
121.02815	0.4
121.06487	1.3
121.10167	0.6
123.04426	15.1
123.08075	1.8
123.44641	0.5
128.06227	4.9
129.07033	0.8
129.11681	0.5
131.04926	0.8
131.08572	1.1
132.02144	0.5
132.05713	0.8
133.06494	2.1
133.10136	3.6
133.97467	0.7
135.04417	100.0
136.04968	0.9
137.05966	1.3
137.09634	0.8
143.08569	4.2
145.06500	0.9
145.10162	0.7
145.14992	0.4
146.03638	1.3
146.07297	1.3
147.03214	0.8
147.04413	22.2
147.08047	30.7
147.11679	2.8
148.08440	0.5
149.01294	0.5
149.02290	2.1
149.05991	1.1
149.09576	1.1
151.03812	0.6
151.07587	1.6
153.05473	0.9
159.08052	1.1
161.05968	1.5
161.09624	7.0
163.03934	0.6
163.11169	0.6
164.04678	3.0
165.09161	0.7
165.28499	0.4
171.08049	8.6
171.11606	0.5
174.03200	0.6
174.06786	1.8
174.10406	0.7
175.03888	1.7
179.07047	2.4
189.09108	46.3
189.12712	1.5
190.09480	1.1
191.10585	0.6
192.04160	1.3
192.11502	2.3
193.08647	1.1
207.06641	5.6
207.10161	38.6
207.13718	8.0
207.17468	1.1
208.10799	0.9
208.26645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	4-(3-Methoxy-4-hydroxy)phenyl-3-methyl-3-buten-2-one
Peak:m/z	Relative Intensity
51.02375	0.4
52.73971	0.4
53.03943	2.4
55.01869	1.9
55.05501	1.0
57.03429	0.6
57.07074	2.2
57.19250	0.4
59.04990	0.7
65.03944	1.5
67.01893	0.3
67.02419	0.4
67.05508	3.1
67.05811	0.6
69.03426	1.1
69.07064	0.6
71.04171	0.8
71.04993	1.2
71.08627	0.4
73.06551	1.0
73.10602	0.3
77.00620	1.2
77.03921	0.6
79.05490	14.7
81.03423	1.2
81.07040	1.9
81.82955	0.4
85.06545	3.0
89.03918	0.7
91.05480	14.3
93.07048	1.9
95.04963	6.4
95.08620	0.9
97.06502	0.5
103.05474	1.5
105.03365	0.8
105.04505	0.7
105.07024	6.7
107.04958	7.8
107.08585	0.6
109.02876	1.7
109.06533	0.5
109.10178	0.5
115.05474	0.9
117.07043	1.5
118.04150	0.9
119.04948	8.9
119.08580	4.1
121.02840	1.2
121.06506	1.1
123.04427	16.5
123.08045	1.0
123.11710	0.4
125.05959	0.4
128.06229	4.4
129.06963	0.7
131.08572	0.5
132.05750	0.5
133.06490	1.2
133.10124	3.2
135.04411	100.0
136.05122	1.7
137.05991	1.3
143.08565	4.4
145.06476	1.0
146.03592	1.8
146.07216	0.6
147.04407	24.3
147.08043	31.9
148.04823	0.6
149.02345	3.6
149.05972	1.4
149.09569	0.4
151.03909	1.7
151.07524	1.7
153.05481	1.0
161.05972	0.8
161.09630	6.1
161.13261	0.5
163.03867	1.0
164.04688	4.1
165.05418	0.7
171.08040	9.5
173.54308	0.4
174.03137	1.7
174.06747	2.0
175.03932	2.2
179.07037	3.6
189.09102	45.5
190.09454	0.9
192.04218	2.2
207.06648	7.0
207.10153	38.8
207.13991	1.2
208.10527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.01612	0.7
51.02368	1.1
53.03949	0.5
55.01867	1.2
55.05514	1.1
56.96557	0.7
57.07086	0.7
63.02366	0.7
64.03154	0.8
65.03940	9.4
67.05503	2.2
69.03408	1.2
70.85206	1.3
76.03146	1.2
77.03945	2.7
79.05521	3.1
80.06274	0.9
81.03398	0.6
81.07059	3.9
85.02903	18.4
89.03920	5.7
90.04684	1.8
91.05479	100.0
92.05808	1.9
93.03403	1.3
93.07037	1.7
95.04967	2.8
95.08614	2.1
103.05466	2.5
104.02622	1.4
105.03406	1.9
105.07030	3.2
107.04961	1.9
107.08591	2.2
108.05749	1.9
109.06529	0.9
109.10146	3.5
115.05439	0.6
117.03354	0.9
118.03381	0.8
118.04162	8.6
119.04940	87.7
119.08597	3.7
120.05252	1.3
121.02898	3.2
121.06538	0.8
121.10141	2.4
122.03627	1.4
123.04432	3.0
123.08102	1.1
123.11702	10.8
124.10242	0.6
125.05993	2.4
128.06186	0.5
129.03378	1.3
129.04492	1.0
131.04936	0.8
131.08589	1.4
132.02066	8.2
133.02805	1.4
133.06496	1.2
133.10136	1.3
134.03606	0.8
135.04416	4.7
136.05168	3.1
137.05971	1.4
145.02850	2.2
145.10126	0.7
146.03636	3.4
147.04407	66.1
147.11722	3.5
148.04945	0.6
149.02345	12.6
149.09618	2.7
150.03194	1.2
151.07530	1.1
151.09480	0.9
156.09364	0.7
157.03993	6.2
160.01541	0.7
161.05989	2.5
161.09589	0.8
161.13210	1.5
162.03180	1.2
163.03888	1.8
163.11165	0.7
164.04709	4.7
165.12746	0.9
174.03181	3.3
175.03905	68.1
176.04366	1.9
177.01823	2.5
179.07028	7.5
179.08928	3.6
189.12729	2.8
192.04167	18.6
193.04607	0.7
207.06526	28.2
207.08315	1.6
207.13806	6.7
207.17517	0.6
208.06879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02385	0.6
53.03938	1.1
53.92139	0.5
54.35282	0.5
55.01877	0.9
55.05502	1.2
57.07080	0.9
59.04993	0.6
63.02372	1.2
64.03160	0.5
65.03941	9.3
67.05505	3.7
69.03426	2.3
69.07069	1.3
70.13297	0.8
70.13693	1.6
71.05001	0.6
76.03150	1.5
77.03921	2.3
78.04723	0.5
79.05491	4.0
80.06268	0.7
80.59037	0.5
81.07063	6.0
83.04983	1.6
85.02906	20.8
88.85944	0.7
89.03910	5.5
90.04707	1.3
91.05482	100.0
92.05826	1.5
93.03393	0.7
93.07036	3.9
95.04954	3.8
95.08608	2.8
97.06535	0.7
102.04717	0.5
103.05461	2.4
104.02632	0.9
105.03407	1.3
105.07032	9.8
105.07682	0.8
106.04138	0.6
107.04989	3.7
107.08574	4.3
108.05740	1.8
109.02855	0.6
109.06541	3.5
109.10157	4.2
111.04451	0.8
111.08125	0.5
117.03368	1.5
117.07011	1.8
118.04156	4.0
119.04946	87.0
119.08580	9.5
120.05286	1.7
121.02872	2.1
121.06525	0.6
121.10152	6.0
122.03672	1.0
123.08086	3.7
123.11712	11.5
125.06020	2.0
128.06186	0.9
129.03378	2.2
129.04424	0.9
129.06996	0.8
130.07730	0.8
131.04877	0.9
131.08594	3.7
132.02055	8.4
133.02829	1.4
133.06479	1.9
133.10123	3.2
134.03601	1.0
135.04410	4.0
136.05199	2.7
137.06017	1.1
137.09596	2.2
141.06979	1.0
143.08589	1.9
145.02859	1.9
145.10130	3.3
146.03633	2.7
146.10890	0.9
147.04413	68.9
147.08060	3.4
147.11682	9.2
148.04770	1.6
149.02347	9.4
149.06013	0.7
149.09630	10.1
150.03104	1.7
151.07533	3.0
156.09348	3.1
157.03967	6.9
159.08025	1.1
159.11748	0.9
161.05977	1.7
161.09622	1.9
161.13275	2.9
162.03181	1.1
163.03889	2.1
163.11165	1.6
164.04700	6.4
165.05428	0.6
165.09129	0.9
165.12787	1.7
171.11700	2.2
174.03116	2.0
174.06747	0.5
174.10391	2.3
175.03912	65.0
176.04335	2.1
177.01883	0.7
177.05392	0.8
179.07022	6.7
179.14316	0.6
188.25186	0.6
189.09073	1.0
189.12769	9.0
192.04195	7.3
199.70642	0.6
207.06531	22.1
207.13821	14.2
207.15726	0.9
207.17300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.01893	0.2
56.96574	0.7
57.07077	0.2
58.48318	0.2
60.04523	0.2
61.82068	0.2
65.03953	0.2
68.99817	0.2
71.23653	0.3
81.03439	0.2
84.59095	0.1
89.03908	0.2
90.11280	0.1
90.63718	0.2
91.05492	0.5
95.04970	0.5
97.02884	0.3
98.09691	0.6
98.97588	0.2
104.05015	0.4
105.03379	1.5
119.04973	0.3
125.12164	0.2
132.04453	2.5
132.05396	0.2
133.02846	0.5
136.47980	0.2
144.10213	0.7
146.99811	0.2
147.04428	0.2
149.02353	0.6
150.02682	0.7
150.05511	3.9
153.01944	0.2
160.03928	0.4
163.03888	0.3
175.03833	0.2
178.04991	100.0
179.05374	1.3
188.07104	0.2
191.14297	0.2
201.00676	0.2
206.04478	31.2
207.04735	0.4
219.01656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03950	0.9
55.01873	0.3
55.05508	0.9
57.06854	0.3
57.07078	2.9
65.03941	2.4
67.05505	1.9
69.07085	0.5
69.46793	2.9
77.03950	0.3
79.05488	2.5
81.03461	0.4
81.07050	1.5
85.02888	0.4
91.05482	32.4
93.03397	0.4
93.07050	2.2
95.04972	2.0
95.08615	1.6
97.02885	0.7
103.98845	0.3
105.03400	0.6
105.07066	1.7
106.04176	1.4
107.04959	6.6
107.08598	1.4
109.06553	0.4
109.10146	0.6
115.09576	0.3
117.07014	1.3
119.04948	30.1
119.08539	0.7
121.02882	2.2
121.04028	0.4
121.06516	2.8
121.10159	1.0
123.04459	0.6
127.05963	0.4
129.07037	0.5
131.04950	0.9
131.08578	1.4
133.06500	0.6
133.10139	0.6
135.04384	0.6
135.08052	0.5
135.11745	0.6
141.07005	0.3
143.08566	0.3
145.06505	0.6
145.10133	1.8
147.08028	0.5
149.02370	10.7
149.05983	100.0
149.13257	0.8
150.06366	1.0
159.11693	1.1
162.06718	0.9
162.10434	0.5
163.07556	0.4
163.11209	0.4
167.03375	1.1
173.09622	1.2
177.09120	1.5
177.12784	2.1
177.73982	0.4
187.11188	1.0
205.08975	0.7
205.12254	29.6
205.14035	1.6
205.15923	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.02382	0.2
51.09538	0.2
53.03920	0.2
57.07073	0.3
65.03940	1.6
69.89129	1.0
70.86794	0.2
74.03543	0.2
78.04722	0.4
79.05476	0.3
81.95484	0.2
89.03904	0.4
91.05483	33.8
92.05834	0.4
93.07030	0.4
95.04987	0.4
98.20780	0.2
103.05509	0.3
105.03391	0.5
105.07013	0.3
106.04184	1.3
109.52361	0.2
118.17828	0.2
119.04946	31.1
120.05233	0.4
121.02876	0.2
121.06503	0.6
131.08626	0.3
135.04347	0.2
145.10127	0.3
149.02515	1.8
149.05984	100.0
150.06326	1.1
163.07436	0.2
173.09596	0.7
205.12245	15.2
206.12675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
69.03415	0.7
69.30432	5.2
69.30864	2.4
74.02444	1.6
75.27919	0.7
91.05478	1.4
100.75519	0.8
113.04037	0.7
115.05467	3.3
117.05769	2.2
117.06995	3.3
118.06544	43.3
130.06503	3.7
132.08081	12.4
142.06531	3.6
143.07321	7.2
144.04391	0.8
144.08087	20.8
145.06500	1.0
146.06009	100.0
147.06323	2.0
149.02327	5.5
159.09171	9.3
160.07532	1.4
170.06032	8.9
187.79517	0.8
188.07068	68.4
189.07358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01884	0.3
55.05508	0.3
56.05047	0.3
56.96559	0.5
57.03428	0.2
57.07078	0.4
60.04525	5.9
61.02924	0.4
62.31762	0.2
63.02361	0.3
65.03945	0.8
68.05022	2.2
69.03434	0.5
69.51823	1.8
70.06563	0.2
72.04509	0.4
72.08179	0.2
73.02939	0.2
74.02438	1.6
79.05494	0.4
80.05002	0.3
81.03435	0.3
83.04955	0.2
84.04505	2.5
85.02906	1.0
91.05466	2.4
92.05006	0.2
93.03438	0.2
95.16222	0.2
96.04491	3.2
97.02885	3.7
98.06046	0.7
99.04464	0.2
100.03926	0.2
103.05470	0.9
105.07034	0.8
106.06553	2.0
107.04963	1.0
110.06033	0.9
114.05528	3.6
115.05441	5.6
117.05772	2.6
117.07018	3.1
117.60909	0.2
118.06537	45.1
121.02859	0.7
121.06490	0.4
126.05508	2.5
127.03906	0.2
130.06519	7.9
131.04924	1.9
131.06818	1.5
132.04463	0.5
132.08089	13.3
133.05252	0.6
133.06453	0.5
134.06012	18.9
135.06343	0.4
138.05479	0.8
140.05014	0.3
142.06516	5.3
143.07301	7.1
143.08403	0.4
144.04434	0.8
144.08078	22.3
145.05177	0.2
145.06506	0.6
146.06003	100.0
147.04395	0.3
148.07547	0.4
149.02330	3.1
155.06062	0.5
156.06555	0.5
158.06018	4.3
158.07974	2.8
159.06860	3.5
159.09171	10.1
160.03934	0.5
160.07573	7.6
162.05495	22.2
163.05844	0.9
168.06557	0.8
170.06000	8.1
176.07060	1.0
186.05511	4.0
186.07616	0.6
188.07057	74.3
189.11475	0.8
204.06567	6.2
204.08609	3.9
204.10403	0.4
204.13821	4.9
205.04866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1067
Annotation	Ligujapone
Peak:m/z	Relative Intensity
51.02368	0.5
55.01871	0.6
55.05515	0.6
59.05002	1.7
60.04544	0.5
63.02349	0.4
65.03950	0.8
67.04724	0.5
67.05518	1.1
70.19781	1.1
70.20180	0.6
79.05479	1.9
80.02656	0.6
81.07043	0.8
84.04516	0.6
91.05488	7.0
93.07044	0.7
95.05000	2.4
95.08647	0.6
96.04493	0.7
97.02885	0.6
98.21500	0.4
100.02513	0.7
103.05479	1.9
105.07031	3.4
107.08540	0.5
114.05518	0.7
115.05460	5.6
117.07039	3.8
118.03463	0.5
119.04943	4.0
119.08594	1.7
121.06488	0.9
123.04432	4.6
126.05508	0.8
127.05442	0.9
128.06229	62.5
129.07083	3.9
130.07776	1.2
131.04910	0.8
131.08594	0.8
133.06448	1.3
133.10074	0.6
141.06981	3.5
142.07809	6.1
143.08563	63.9
144.05641	0.4
144.09030	1.4
145.06502	8.7
145.10078	2.1
146.07280	0.7
147.08037	0.5
147.11658	0.5
149.05978	5.1
153.06966	0.5
155.06020	2.6
155.08548	1.5
157.06424	0.5
157.10173	0.6
158.07260	1.3
159.04413	0.9
159.08066	0.9
160.08849	1.7
161.05998	5.5
161.09596	0.7
170.07291	1.4
171.08052	100.0
172.08572	3.2
172.99879	0.4
173.05978	15.9
173.09599	3.9
174.06538	0.5
175.07539	1.1
175.11217	0.8
185.09610	20.4
186.09978	0.5
188.08327	4.8
203.06924	1.2
203.10678	45.4
203.14351	1.8
204.11040	1.3
204.13722	1.1
209.73833	0.5
210.36400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Ligujapone
Peak:m/z	Relative Intensity
52.46761	0.4
53.03964	0.6
55.01876	0.6
56.96571	0.8
59.04998	1.2
59.88084	0.4
63.63091	0.4
65.03938	0.9
67.05505	1.1
69.07060	0.6
70.25679	1.7
79.05497	1.6
80.02632	0.6
81.07055	0.8
88.00253	0.4
91.05476	7.7
95.04930	2.5
95.08618	0.7
96.04478	0.6
97.02900	0.6
98.21432	0.6
103.05429	1.9
105.07040	3.6
114.05502	0.4
115.05444	4.7
117.07023	3.4
118.03506	0.5
119.04932	4.4
119.08573	1.1
121.06505	1.1
123.04429	4.6
126.05533	0.5
127.05442	0.7
128.06223	63.4
129.07088	3.5
130.07793	1.2
131.04866	1.0
131.08553	0.7
132.09357	0.5
133.06477	0.6
133.10130	0.4
141.06981	3.1
142.07782	5.7
143.08559	66.2
144.05693	0.7
144.08887	1.2
145.05402	0.7
145.06490	8.9
145.10138	2.0
147.07947	0.5
149.05980	5.3
152.06250	0.6
153.06987	0.9
155.06038	3.4
155.08527	1.1
157.06500	0.7
157.10085	0.7
158.07236	1.1
159.04442	0.6
159.08022	0.8
160.05139	0.7
160.08850	2.0
160.09996	0.4
161.05978	0.7
161.09535	0.6
170.07253	1.4
171.08049	100.0
172.08499	2.7
173.05984	16.2
173.09604	5.1
174.06380	0.5
175.07492	0.7
175.11157	1.1
185.09613	21.0
186.09981	0.7
187.07594	0.5
188.08279	3.5
203.06952	1.4
203.10669	45.8
204.10927	0.9
204.13768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13734	0.5
53.49536	0.6
55.01868	0.9
55.05521	1.2
56.96564	6.0
58.77414	0.5
59.05003	1.1
60.04520	0.6
65.03968	0.6
67.05505	3.1
68.05025	0.9
69.07070	1.7
71.21083	1.1
74.09466	0.6
79.05511	2.9
80.02628	0.7
81.07058	1.8
84.04516	2.1
91.04917	0.3
91.05478	10.0
93.07034	1.6
95.04961	3.4
95.08588	2.1
96.04490	1.0
97.02899	1.8
100.02527	0.7
103.05468	2.0
103.58799	0.6
105.07037	6.5
107.04993	0.6
107.08606	1.6
109.06532	1.0
109.10133	1.1
114.05478	1.0
115.05450	5.3
117.07039	4.1
118.03519	0.7
119.04954	4.4
119.08577	3.2
121.06446	0.7
121.10117	0.8
122.42306	0.5
123.04440	4.3
126.05497	2.6
127.05345	0.7
128.06226	63.9
129.07060	5.3
130.07758	0.8
131.04951	0.7
131.08578	1.8
132.09393	0.7
133.06487	1.3
133.10138	2.1
140.03093	0.9
141.06955	3.7
142.07791	6.4
143.04930	1.3
143.08565	66.6
144.08989	0.9
145.06502	9.8
145.10133	2.3
146.07256	0.8
147.08109	0.7
147.11639	1.5
149.01195	1.3
149.03613	0.9
149.05983	4.8
152.06056	0.9
153.06955	0.9
155.06052	3.1
155.08592	1.1
157.06458	1.1
157.10138	0.9
158.07262	1.5
159.04402	1.4
159.08102	1.9
160.05168	0.9
160.08867	1.6
161.05948	1.5
161.09602	0.9
167.02232	1.4
170.07289	1.2
171.08051	100.0
172.08571	4.4
173.05989	17.1
173.09625	5.8
174.06651	0.8
175.07538	1.1
175.11163	1.6
179.97850	0.9
183.08322	0.6
185.09621	21.0
186.09903	0.7
187.07544	1.1
188.08322	5.1
197.99176	0.7
203.07021	2.1
203.10674	47.6
203.14352	3.2
203.17970	2.2
204.08788	0.9
204.10976	1.8
204.13828	4.3
206.07686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95536	0.5
55.01876	4.1
55.60237	0.5
56.05018	1.0
56.96530	1.4
56.97988	1.5
58.06564	0.5
60.72370	0.6
67.05487	1.0
68.01379	0.5
68.05009	1.1
68.44531	0.5
69.03415	0.7
70.06555	1.3
71.37566	0.9
72.08137	0.8
78.03432	1.2
79.05459	1.0
82.06556	0.6
84.04463	1.8
84.08112	1.2
84.97485	1.1
85.01106	1.8
85.02917	0.6
86.00642	0.6
87.04438	1.0
91.05435	1.9
94.02892	0.9
95.04899	0.7
96.04445	0.6
97.02840	0.6
98.06028	1.1
98.97543	0.7
99.04469	0.6
100.02188	1.6
101.00586	1.1
103.05464	0.5
106.05491	0.5
110.00629	3.7
112.03917	1.0
114.00143	2.5
116.98591	1.0
118.06544	0.8
119.04910	1.3
120.05602	0.6
128.01660	6.3
128.04932	0.9
130.06560	0.5
132.08047	0.6
134.03609	2.6
134.99652	1.2
138.00119	4.4
142.12201	0.5
143.08275	0.5
146.06015	1.2
147.04427	4.4
156.01143	28.1
156.04346	1.2
157.01314	0.7
158.11668	0.7
160.07613	0.9
161.08226	0.6
162.03098	2.7
165.99423	0.6
174.05478	3.4
175.03822	1.3
175.07535	0.6
179.09282	0.6
184.00641	100.0
184.13329	0.7
185.00929	1.2
202.01703	40.4
202.04974	2.6
202.06873	0.9
202.08789	1.0
202.10686	1.3
203.01974	0.5
203.07025	0.9
216.71674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.2
57.07074	100.0
58.07412	1.0
58.07679	0.1
59.99110	12.7
69.07086	0.1
69.95353	0.2
69.95767	0.4
74.27264	0.1
81.07055	0.2
86.06066	11.9
91.05502	0.1
93.07072	0.2
102.03765	1.6
102.99662	0.3
104.07091	0.1
105.03385	0.1
105.07044	0.3
107.08583	0.1
116.05318	3.7
118.96784	0.2
119.08549	0.1
121.10136	0.1
124.58034	0.1
129.24678	0.1
131.08565	0.3
143.08549	0.1
144.09329	0.1
145.04312	2.4
145.05341	0.2
145.10147	0.6
147.23000	0.1
152.67134	0.1
159.11731	0.7
167.68340	0.1
173.13303	0.2
177.98154	0.2
201.10663	0.1
201.12862	0.1
201.16362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.29647	0.5
55.05506	0.8
60.27213	0.5
65.03940	1.0
67.05502	3.2
69.03425	1.9
70.00098	2.9
72.59885	0.5
79.05481	2.8
79.54440	0.5
81.07048	2.7
88.54044	0.4
91.05481	11.8
92.27095	0.5
93.07037	4.9
95.04975	1.4
95.08047	0.5
95.08624	0.9
103.05440	0.9
105.07034	11.5
107.08598	1.6
109.06517	1.2
109.10173	0.8
109.48647	0.4
115.05424	2.9
116.06259	2.2
117.07025	6.2
119.08584	20.6
121.06522	3.0
121.10126	0.6
128.06213	6.5
129.07002	9.8
130.07822	3.6
131.07114	0.7
131.08572	39.1
133.10135	43.6
134.10405	0.5
141.06973	3.5
142.07770	3.4
143.08562	39.7
144.05695	1.1
144.09355	9.6
145.06476	4.0
145.10124	36.1
146.07303	1.0
146.10509	0.6
147.08121	0.7
153.07004	3.3
155.08585	4.5
156.09396	2.6
157.06493	2.5
157.10147	5.9
158.03647	0.5
158.07297	6.3
158.10915	50.2
159.08063	10.7
159.11714	10.1
160.08853	0.9
161.09583	1.5
168.09349	3.4
169.06487	0.7
171.08049	15.6
171.11678	3.5
172.08832	13.8
172.12463	0.9
173.05954	1.0
173.09669	14.8
173.13264	100.0
174.13602	2.8
177.97937	0.6
183.11670	4.6
185.09587	2.9
186.10406	45.5
187.10881	0.9
201.05489	1.6
201.09116	2.7
201.12750	65.4
201.16394	3.0
202.13075	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01872	2.0
55.05516	4.5
56.05035	4.1
56.65272	0.6
56.96565	10.5
57.03440	15.7
61.02925	1.1
65.03938	1.2
67.05499	2.9
68.05042	2.1
69.03431	8.4
69.07066	11.6
69.68121	4.4
70.06593	23.2
71.05021	1.9
72.04520	1.3
72.08141	1.3
73.02922	1.9
74.06127	0.8
76.00765	0.7
79.05502	5.5
80.05005	1.0
81.03442	1.5
81.07059	12.6
82.06569	2.2
83.06100	0.8
84.04504	14.4
84.08149	2.9
84.96028	1.4
85.02898	6.5
85.06554	1.1
86.06068	30.1
86.09714	4.2
87.04469	43.7
91.05486	5.2
92.05820	1.8
93.05754	0.7
93.07052	1.5
94.06554	3.6
95.04987	1.7
95.06105	0.9
95.08626	2.4
96.04462	1.3
96.08133	3.9
97.02881	3.8
97.06533	29.0
98.06057	2.6
98.09695	3.3
98.97592	10.1
99.08102	11.5
99.97937	1.0
100.07622	49.3
102.05540	4.7
104.07118	4.3
107.04953	0.8
108.04456	1.1
108.08125	4.0
109.02844	1.0
109.06497	0.9
110.06039	2.7
110.09690	2.0
110.97615	0.8
111.04471	1.2
112.07608	3.8
114.05553	1.1
114.09171	18.0
116.10754	1.3
116.98617	10.9
118.06560	0.7
118.96757	0.9
119.01897	2.7
119.04937	3.7
122.03690	1.3
122.06030	8.3
124.07581	0.7
126.09155	2.2
128.07082	100.0
128.98621	2.1
129.07402	1.7
134.99667	11.6
136.07568	9.0
137.00108	0.8
137.05986	16.5
138.06337	2.9
138.09123	6.0
139.03891	2.8
140.03447	1.9
140.07071	9.6
142.08626	3.4
143.00056	0.8
143.01830	0.8
146.99644	4.7
147.04413	5.4
148.04767	3.9
149.02954	0.8
153.00702	2.7
154.08629	11.5
154.12238	3.5
156.10207	6.3
157.10989	1.8
158.04419	2.8
158.08095	1.7
158.99648	1.5
161.01245	1.5
161.02858	0.7
164.07115	1.8
165.00725	0.8
165.05307	0.8
170.11765	0.8
172.09688	3.4
176.02277	1.6
177.00684	3.4
179.07051	1.2
181.04898	1.1
182.08099	6.9
182.11751	3.0
182.30171	0.7
184.58423	0.7
186.51382	0.7
189.00731	1.2
200.09145	7.9
200.12813	29.4
201.13107	0.7
210.01865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0528
Annotation	FR 900098
Peak:m/z	Relative Intensity
58.06576	0.5
68.53145	0.3
70.71606	0.8
81.59923	0.3
125.91122	0.3
126.03176	1.9
135.15292	0.4
141.47604	0.4
198.05283	100.0
198.18571	1.5
199.05580	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	198.0913
Annotation	Glycozolinine
Peak:m/z	Relative Intensity
53.53236	0.2
55.05511	1.1
56.96545	0.3
57.07062	0.7
65.03939	1.4
69.07069	1.0
69.66498	0.2
71.21186	0.7
81.07040	0.4
83.08610	1.1
91.05492	0.3
92.05006	2.6
93.05788	3.8
93.07029	0.4
97.10189	0.3
100.07621	0.3
103.05443	0.5
104.05034	0.3
110.06025	2.3
115.05437	1.7
117.07079	0.3
128.06221	5.6
129.06995	1.4
141.06985	6.3
143.07384	0.3
143.08546	4.8
145.06468	0.7
151.05397	0.3
152.06203	20.3
153.06987	33.7
154.06516	0.7
154.07701	0.7
155.06105	0.6
155.07271	2.7
155.08470	0.4
156.08080	0.9
167.07307	8.7
168.08089	7.7
169.06567	3.6
169.08864	8.0
170.09645	100.0
171.08073	1.9
171.10004	1.7
179.06006	0.7
180.08051	0.9
181.07646	1.1
184.07571	2.1
196.07587	3.3
198.09143	35.6
198.18527	12.3
199.09615	0.7
202.16147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03935	4.0
55.01864	8.2
55.05269	2.7
55.05513	38.0
56.96577	5.7
57.03431	6.0
57.07069	9.5
67.05507	48.5
69.03432	2.4
69.07068	35.3
70.69906	2.4
70.95872	13.0
71.04993	20.5
71.08628	3.0
72.08127	2.4
72.93784	9.2
79.05487	32.5
81.03407	12.9
81.07059	100.0
83.04980	10.1
83.08608	23.5
85.06538	19.0
88.96912	4.4
91.05483	37.8
93.07051	33.3
95.04985	12.1
95.08609	87.6
96.08918	3.1
97.06535	53.4
97.10157	9.3
99.04478	2.9
99.08100	5.8
105.03429	3.9
105.07040	32.7
106.36410	3.0
107.08592	25.9
109.06506	9.5
109.10146	13.5
111.08077	7.4
111.98476	9.7
117.06980	3.8
119.08578	31.2
121.10146	8.6
123.08077	10.3
129.07002	2.7
129.97711	2.3
129.99522	10.2
132.95821	9.5
133.10139	36.6
135.11699	29.2
137.05908	2.8
137.09612	5.9
137.13275	19.7
141.05446	3.5
141.07033	2.8
150.96912	49.5
151.03902	3.6
151.07516	3.0
151.11179	4.4
155.97415	12.4
161.09668	4.9
161.13269	44.6
167.08542	4.5
168.97963	4.4
169.10088	3.9
170.09677	2.7
173.98511	28.0
179.10677	19.9
179.14302	29.9
197.00195	2.6
197.11685	7.3
197.13347	8.4
197.15387	14.2
198.18539	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03935	3.8
55.01859	5.3
55.05513	10.6
56.96559	2.3
57.03416	2.2
57.07059	4.3
59.04995	2.6
61.63948	1.2
65.03951	2.6
67.05508	11.9
68.04992	1.3
68.19592	1.6
69.03419	4.1
69.07053	5.8
69.55996	10.1
70.95866	12.0
71.01360	1.8
71.05000	2.9
71.92962	1.2
72.08149	1.3
72.93787	7.0
72.94144	1.3
73.02924	1.5
79.05070	1.3
79.05496	16.9
81.03394	2.3
81.07054	26.7
82.07388	1.5
83.04986	3.0
83.08638	1.8
85.06524	1.7
88.96904	2.8
90.94823	1.9
91.05479	36.0
93.07039	27.6
94.04163	2.9
95.04974	17.6
95.08605	9.2
97.02901	2.8
97.06540	5.4
99.04461	5.3
105.03393	4.9
105.07035	39.1
107.04953	4.3
107.08595	79.9
109.06514	30.5
109.10152	12.7
111.04452	1.8
111.08075	1.6
111.98473	7.3
113.08266	11.2
119.04951	5.5
119.06089	1.9
119.08590	10.3
120.09359	2.4
121.06518	7.1
121.10188	1.8
123.04438	7.5
123.08063	2.9
123.11700	8.5
125.05994	35.8
127.03938	11.6
129.99519	8.9
131.08534	2.9
132.95799	7.9
133.02840	6.1
133.06508	1.6
133.10129	82.7
135.08058	2.7
135.11688	51.2
136.12080	1.8
137.05980	52.5
137.08243	3.9
137.09589	10.3
141.05431	1.3
141.07008	4.8
143.08569	2.6
146.07263	2.6
147.04460	1.6
150.96887	36.8
151.03920	7.0
151.11179	10.2
154.06218	1.7
155.09259	5.7
155.10417	1.5
155.97432	7.6
161.09615	40.2
165.05499	6.4
167.08533	1.4
168.97914	1.7
169.06456	2.6
169.08592	1.5
169.10066	2.4
173.98486	19.4
179.09337	3.5
179.10674	100.0
182.10973	1.5
197.00186	1.9
197.05928	6.3
197.07947	2.3
197.09901	2.2
197.11749	47.2
197.13432	5.3
198.18549	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.06905	0.9
53.03949	2.3
55.01862	1.3
55.05513	4.6
57.07083	4.4
57.36654	0.8
59.04987	3.2
65.03922	2.4
67.05506	8.4
69.03416	2.7
69.07055	3.7
69.49008	6.4
69.49415	1.5
70.95866	4.2
72.93778	1.7
77.50130	1.2
79.05494	9.2
81.07060	11.9
83.04977	1.9
83.08630	1.2
85.06534	2.0
87.51836	0.8
91.05484	35.3
93.07041	29.4
95.04958	12.2
95.08619	6.6
97.06520	1.9
99.04455	1.3
103.05453	1.5
105.03383	1.1
105.07033	39.8
107.04949	1.9
107.08593	84.3
109.06517	9.3
109.10153	9.2
111.98475	3.0
113.05929	1.0
113.08255	5.2
117.07045	1.6
118.07818	1.5
119.04955	5.7
119.06114	1.1
119.08582	9.5
121.06497	7.0
121.10135	1.7
123.04429	5.4
123.08040	2.3
123.11696	4.7
125.06003	1.1
128.06213	1.7
129.99513	3.5
131.08566	3.3
132.30043	1.0
132.95827	4.4
133.02859	1.5
133.10129	87.2
134.10472	1.3
135.08028	1.9
135.11690	60.2
136.11993	1.5
137.05966	6.7
137.09631	6.6
141.05502	2.4
141.07004	2.2
143.08565	2.1
146.07257	1.3
147.04424	3.3
150.96889	15.8
151.03941	2.1
151.11162	6.3
155.09352	1.7
155.97452	3.3
161.09622	39.2
168.97975	1.2
169.10091	1.6
173.98492	8.3
179.07185	8.4
179.10672	100.0
180.11076	1.2
182.10829	1.2
197.05945	1.8
197.09956	1.9
197.11734	54.1
197.13301	2.9
198.18446	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	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03938	1.1
54.37135	0.6
55.01857	1.6
55.05504	3.7
57.07064	2.3
59.04980	1.3
61.02912	1.5
65.03925	1.0
67.05495	4.8
69.03416	2.2
69.07066	1.5
69.48697	5.3
70.95867	3.5
71.04968	1.0
72.93784	2.1
73.02916	2.0
77.36097	0.7
77.61231	0.6
79.05479	8.6
81.03412	1.0
81.07053	7.7
83.04963	1.7
84.04479	0.6
85.06544	0.9
88.96918	1.1
90.94828	0.9
91.05475	21.8
93.06469	1.3
93.07036	19.7
95.04955	5.2
95.08589	4.9
97.06530	1.6
99.04448	1.1
103.05478	0.8
105.03409	0.8
105.07024	34.0
107.04943	1.4
107.08585	100.0
108.08891	0.6
109.06517	7.4
109.10147	5.3
111.08076	1.4
111.98463	1.9
112.11158	0.7
113.05996	0.6
113.08231	1.5
115.05448	1.0
117.07044	1.4
119.04942	4.7
119.06065	0.7
119.08574	13.5
121.06490	2.8
121.10130	13.1
123.04411	1.7
123.08070	2.7
123.11687	3.1
125.05988	2.2
125.09623	1.1
126.63348	0.6
128.06216	1.3
129.99527	2.2
131.08560	2.6
132.95819	3.1
133.10118	65.8
135.08058	1.7
135.11667	11.7
137.05968	5.9
137.08318	0.8
137.09605	3.6
138.06645	1.0
139.07526	3.6
141.05452	1.1
141.06978	1.3
142.81003	0.6
143.08548	2.3
146.07274	1.7
147.04420	2.2
149.09608	7.8
150.96864	11.7
151.03874	1.7
151.04994	0.6
151.07512	2.1
151.11177	15.8
155.05948	1.3
155.09370	1.5
155.97408	2.9
161.09605	20.6
165.05412	0.7
167.10663	15.6
168.97842	0.7
169.10182	0.9
173.98485	6.6
179.07135	4.9
179.10660	39.2
180.11093	0.6
182.10941	0.8
197.00145	0.7
197.05812	1.3
197.11726	37.0
197.13251	1.8
198.18571	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03944	1.3
55.05501	3.5
57.07047	1.6
59.04987	3.5
65.03922	1.4
65.43636	1.1
67.05507	7.3
69.03427	2.4
69.07071	1.6
69.94459	6.2
70.95850	1.9
72.93757	1.2
76.14108	1.0
76.97491	0.9
79.05482	7.2
81.07063	8.5
83.04962	1.5
89.05821	1.2
91.04906	1.3
91.05480	23.8
93.06478	1.7
93.07045	30.3
95.04958	8.6
95.08595	3.8
97.06514	1.1
105.07030	42.0
107.04931	1.2
107.08596	81.1
109.06526	7.8
109.10152	7.9
111.04485	1.3
113.05925	0.9
113.08242	1.2
117.07005	1.1
119.04919	4.5
119.06038	1.1
119.08582	10.3
121.06514	5.4
121.10142	1.1
123.04449	5.9
123.11706	3.1
125.05991	2.7
131.08559	3.0
132.95757	1.4
133.10129	87.6
134.10426	1.2
135.08066	1.9
135.11693	54.4
137.05969	4.7
137.09657	6.0
143.08372	1.2
146.07251	2.5
150.96902	4.5
151.11194	6.3
158.38121	1.0
161.09619	34.5
173.98517	1.5
179.10672	100.0
187.97418	0.9
197.11728	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	1.4
55.05499	4.2
57.03433	1.0
57.07064	3.2
59.04998	3.9
60.80272	0.9
60.99496	1.0
65.03947	1.6
67.05509	7.9
69.03433	3.3
69.07054	2.7
69.50587	2.8
69.51000	5.9
70.95869	5.2
70.96181	1.0
71.05011	1.1
72.93784	4.0
77.03875	0.9
79.05495	9.6
81.03427	1.3
81.07064	9.4
83.04980	2.3
85.06525	1.6
88.96912	1.8
91.05479	24.8
91.95732	0.9
93.07043	29.3
94.07800	0.9
95.04975	10.4
95.08617	5.6
95.55235	0.9
97.02893	1.0
97.06515	1.2
105.03382	1.8
105.07033	36.2
107.04939	1.6
107.08598	74.6
109.06529	11.3
109.10146	7.7
111.04453	1.4
111.98459	4.3
113.08259	6.3
115.05446	1.0
117.06999	1.1
119.04935	3.7
119.06048	0.9
119.08572	9.1
120.09367	1.0
121.06527	8.0
121.10128	1.9
123.04426	3.7
123.08060	2.1
123.11688	2.6
125.05981	1.5
128.06244	1.2
129.99521	3.8
131.08565	3.6
132.95827	4.7
133.02827	1.0
133.10135	78.8
135.08040	2.9
135.11696	58.5
136.12050	1.3
137.05965	8.3
137.08209	2.2
137.09578	4.8
141.05447	1.6
141.06995	3.0
143.08551	1.3
146.07275	2.9
147.04459	1.2
150.96883	18.9
151.03879	2.3
151.07462	1.2
151.11156	8.3
155.09349	2.2
155.97403	4.1
161.09622	38.7
165.05435	1.2
173.98492	12.4
179.07243	2.2
179.10675	100.0
180.11017	2.2
196.99965	1.3
197.05957	3.1
197.09949	2.4
197.11731	54.8
197.13364	2.6
198.18565	5.4
218.38960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.096
Annotation	cis-Stilbene oxide
Peak:m/z	Relative Intensity
55.01871	1.3
65.03606	0.5
65.03941	8.9
67.05486	0.4
69.03442	0.3
71.20510	0.8
81.38207	0.3
91.05479	50.7
92.05809	0.6
95.04974	0.8
105.01749	0.3
107.04952	4.7
109.06521	4.9
115.05441	0.7
117.07011	0.3
119.06062	2.9
126.65927	0.3
128.06207	3.2
129.07016	4.3
131.04997	0.4
141.06992	15.7
152.06171	2.3
153.06996	11.3
154.07768	58.0
155.08334	0.7
165.06923	0.7
167.08565	3.6
168.05771	0.4
168.09358	0.8
169.10120	44.1
170.10455	0.6
171.08125	0.3
178.07791	3.3
179.08543	5.6
181.06445	4.7
182.07259	9.6
184.43237	0.3
189.24167	0.3
195.08058	0.6
197.09613	100.0
198.09920	2.7
204.60645	0.3
210.03738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Curvulide B1
Peak:m/z	Relative Intensity
51.02385	0.3
53.03941	0.5
55.01865	0.8
55.05516	0.6
57.07073	0.4
63.13857	0.3
65.03936	3.3
67.05507	1.7
69.03431	0.5
69.07059	0.7
70.60239	0.9
70.95856	0.8
71.04966	0.3
71.08665	0.3
72.93790	0.9
75.56223	0.3
79.01844	1.0
79.05494	2.2
80.06263	1.6
81.03417	2.4
81.07071	1.5
83.04988	0.3
83.08605	0.5
85.06498	0.3
88.96882	0.3
90.04682	0.3
91.05480	45.6
92.05823	0.7
93.07049	1.2
95.04964	1.8
95.08592	1.8
103.05453	0.7
105.03352	0.4
105.07027	2.2
107.04970	0.7
107.08601	2.0
108.05744	3.4
109.02891	0.5
109.06496	0.9
109.10151	0.5
111.04417	0.3
111.98469	0.6
113.08247	1.0
113.37868	0.3
118.04150	0.8
119.04940	42.5
120.05289	0.5
121.06487	1.8
121.10141	0.4
123.04456	0.7
123.08068	1.4
123.11727	0.5
129.99519	0.8
131.04865	0.2
132.95840	1.2
133.06458	0.6
133.10124	1.5
135.11687	1.0
136.05197	2.8
137.05959	1.0
137.08134	0.3
141.06990	0.4
142.27985	0.3
147.04408	52.5
148.04861	0.9
150.96904	3.3
151.03928	1.2
151.07535	1.2
151.11221	0.4
154.07722	0.4
155.09309	0.3
155.97449	0.9
161.09567	0.6
163.03891	0.5
164.04701	1.7
165.05569	0.4
173.98518	1.6
179.07031	100.0
180.07353	2.3
182.10902	0.3
197.00151	0.4
197.06166	0.6
197.08083	6.8
197.09724	0.8
197.11766	0.8
197.13301	0.5
198.18536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02367	0.3
53.03941	0.7
55.01871	2.2
55.05507	0.7
56.05041	0.3
56.96569	2.2
57.03432	0.8
57.07063	0.5
59.06115	0.4
60.66762	0.3
65.03935	3.0
67.05176	0.3
67.05508	3.6
68.05016	0.2
69.03426	1.1
69.07061	0.9
69.81865	1.5
70.06580	0.5
70.95860	2.1
71.04993	0.2
72.08149	0.2
72.93792	1.6
73.02920	17.8
79.05489	1.1
80.18417	0.2
81.03416	0.6
81.07054	1.3
83.04996	0.3
83.06123	0.3
84.04530	0.4
84.08148	0.4
84.96011	0.2
85.02898	1.2
85.06546	0.3
87.04466	0.5
88.96887	0.8
89.03939	0.5
90.94851	0.5
91.03950	0.8
91.05484	4.1
93.03415	0.6
93.07040	1.0
94.04192	0.3
95.01365	0.3
95.04967	3.7
95.06074	0.5
95.08617	1.2
96.05621	0.5
97.02878	0.6
97.06525	0.3
98.21432	0.5
98.97577	0.4
99.04436	0.3
99.05612	0.3
101.07083	0.3
105.03403	0.6
105.04519	0.4
105.07034	1.6
107.04951	0.9
107.08593	2.2
108.02103	2.6
109.02886	0.9
109.06526	1.6
109.10130	0.7
110.03675	2.3
111.04443	3.1
111.05606	0.3
111.08086	0.3
111.98461	1.6
112.07652	0.4
113.08251	2.6
114.94768	0.2
116.98626	0.6
117.03368	0.6
119.04929	2.1
119.08575	0.5
121.03957	0.3
121.06515	0.5
121.10132	0.3
123.04442	0.8
123.08048	0.4
125.05997	12.0
126.06384	0.2
129.99506	1.5
132.95845	2.0
133.01910	0.2
133.02831	1.1
133.10133	2.3
134.99681	0.5
135.04425	0.8
135.11667	1.4
136.01591	0.5
137.05980	3.1
137.08224	1.1
137.09601	0.5
138.06705	0.7
139.03923	0.5
141.05490	5.3
141.06743	0.3
141.07047	0.3
145.02893	0.5
146.99611	0.5
147.04440	0.4
149.05980	3.2
150.96899	7.1
151.03911	100.0
151.05008	8.4
151.07428	3.6
152.04239	1.5
152.10703	0.4
153.11070	0.2
154.06197	0.2
155.09341	1.6
155.97455	1.7
161.01221	0.4
161.09631	1.0
163.03952	1.2
165.05521	0.4
168.97957	0.5
173.97142	0.4
173.98505	4.3
177.05531	0.3
179.07047	15.2
179.09296	0.5
179.10585	2.9
179.14323	0.7
180.07611	0.4
180.10205	0.3
182.05760	0.5
193.04996	0.5
197.00104	0.4
197.04401	0.3
197.06134	0.5
197.08093	3.6
197.10109	0.4
197.11771	1.4
197.13611	0.6
197.17310	0.4
198.11234	0.3
198.18489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.8
56.05029	4.5
56.96566	9.4
57.07065	0.9
58.13045	0.9
58.99866	1.4
61.22901	0.7
67.05489	1.0
68.05043	0.8
69.03430	1.6
69.07056	2.0
70.06587	1.6
70.95851	3.0
70.96206	0.8
71.06123	2.0
71.23339	0.8
71.23653	1.4
72.93773	1.8
77.00912	2.8
80.22044	0.7
82.99866	0.9
83.06095	1.1
91.05473	1.5
93.07044	0.9
95.01943	1.0
95.04995	1.3
95.06064	2.1
96.05605	2.1
97.02866	0.9
97.06532	1.8
98.97575	4.8
100.02460	2.5
101.00865	5.2
105.07031	1.9
107.08588	3.7
109.10172	0.8
111.05528	0.9
111.98472	2.3
113.07510	1.1
113.08250	14.6
114.04025	1.4
116.98601	7.4
118.03525	2.9
119.01920	51.8
120.02047	1.8
121.01638	1.9
129.04013	1.0
129.99483	2.0
130.01735	0.9
130.03477	5.0
131.01964	1.5
131.96211	1.1
132.05070	36.8
132.95828	1.9
133.03491	0.9
133.10104	2.5
134.03014	2.9
134.99660	14.6
135.11665	2.2
136.04546	1.5
137.02960	37.2
137.08220	4.7
138.03035	1.9
138.06647	1.1
139.02695	2.4
141.05319	0.9
142.03493	3.5
145.03482	3.6
147.03772	9.8
148.02837	1.5
148.04550	3.1
149.97165	2.7
150.06122	43.2
150.96851	8.8
151.06258	1.4
152.04091	1.4
153.00697	4.0
154.90767	5.3
155.01251	1.3
155.03030	2.4
155.06635	0.9
155.09282	6.6
155.97401	1.9
156.05009	4.9
156.97462	1.9
157.04683	1.1
158.02986	1.5
160.04535	2.5
161.04509	0.9
163.04553	1.3
165.04860	6.5
168.97983	1.0
170.03084	0.9
172.04497	1.0
173.01082	0.9
173.02798	3.1
173.04108	10.4
173.07741	1.8
173.98491	4.9
174.00789	2.7
174.02606	3.0
174.06125	100.0
174.98503	2.8
175.06236	3.1
176.02554	1.1
176.04047	3.6
176.05431	0.7
176.92120	0.9
177.00948	2.2
179.09291	2.4
179.10677	3.8
187.04497	2.1
188.04073	1.9
188.05751	0.8
191.03653	1.1
191.05296	6.1
192.01826	2.1
192.03514	1.2
192.07166	37.8
192.57190	0.9
192.98691	1.4
193.00317	1.0
193.07321	1.6
196.91818	4.7
197.00600	3.0
197.04358	3.7
197.05933	1.0
197.07796	7.3
197.10287	1.9
197.11838	1.6
198.18530	2.2
214.92839	1.3
215.01900	4.5
215.05185	3.3
216.05254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03935	2.4
53.84940	0.9
55.01859	3.7
55.05511	15.3
57.03434	1.2
57.07074	12.7
64.00707	1.0
65.03926	2.0
67.05168	1.4
67.05504	17.2
69.03430	5.6
69.07066	27.4
70.06580	1.7
71.04983	4.2
71.08608	1.9
71.15088	2.3
79.05488	17.2
80.67465	1.1
81.03405	1.7
81.07053	39.3
83.04952	2.9
83.08617	14.5
84.08118	1.1
85.04479	0.9
85.06538	5.0
89.03918	5.4
89.06010	1.3
91.05489	8.1
93.03387	1.2
93.07040	28.4
94.06538	0.9
95.04957	4.4
95.08605	65.2
97.06536	5.9
97.10162	6.5
99.08096	13.1
103.05441	2.3
105.07012	5.4
107.04955	17.2
107.08589	40.4
109.06500	3.1
109.09462	1.4
109.10149	17.6
110.07227	1.9
111.04409	2.8
111.08096	6.7
111.11717	3.0
117.03384	10.8
118.96681	1.0
119.08570	3.8
121.06499	3.8
121.10139	56.8
122.09715	1.2
123.04415	1.3
123.08099	1.2
123.11725	7.6
125.05984	2.7
125.09624	13.1
131.08531	1.7
131.26495	0.9
133.02826	2.2
133.06503	1.3
133.10141	2.5
134.03589	2.7
135.04449	6.5
135.08012	2.4
135.11697	18.0
137.05980	1.2
137.13249	100.0
138.13637	2.5
139.07561	1.2
139.11159	2.8
145.02864	16.8
148.97325	1.5
149.06001	5.6
149.07027	1.0
149.09586	3.0
149.13251	6.7
151.14836	1.8
153.05475	15.8
154.08629	1.0
159.11658	1.4
163.03862	5.9
163.07565	2.2
165.05525	1.3
165.06985	2.8
167.07060	4.2
167.08511	2.1
177.05470	17.2
177.09076	2.8
177.12880	1.8
177.16385	45.6
178.16643	1.1
195.02907	2.1
195.06500	11.5
195.08247	2.7
195.10112	3.6
195.11670	2.2
195.13763	2.6
195.15826	1.9
195.17442	33.1
196.13316	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03939	2.6
55.01860	5.3
55.05512	16.3
55.53532	1.0
56.96557	1.2
57.03425	3.9
57.07073	17.0
59.05007	1.2
65.03936	1.9
66.60098	1.0
67.05503	27.2
69.03435	2.9
69.07067	24.3
69.79059	0.9
70.06578	1.5
71.04703	0.9
71.05000	10.1
71.08646	1.1
71.14834	3.0
79.05497	15.5
80.78690	1.0
81.07054	53.0
83.04974	2.5
83.08617	13.7
85.02894	1.6
85.06538	3.6
89.03915	4.3
91.05474	8.8
93.03420	1.4
93.07039	22.9
95.04975	3.0
95.08604	64.7
97.06531	6.1
97.10159	4.0
99.08087	4.8
103.05465	3.3
105.07013	6.3
106.04155	1.4
107.04961	12.6
107.08590	34.9
109.06490	1.4
109.10154	44.3
111.04423	2.7
111.08060	3.9
111.11698	3.0
117.03384	8.9
119.08560	2.4
121.06500	2.0
121.10145	54.0
123.08115	1.3
123.11704	45.7
124.05166	1.2
125.06026	3.4
125.09600	5.9
133.02870	1.4
133.10120	2.2
134.03622	1.4
135.04420	6.0
135.08072	3.4
135.11694	21.0
137.04663	1.0
137.05916	1.2
137.13252	100.0
138.13574	1.5
139.07574	1.5
139.11160	1.7
145.02853	17.1
148.97281	1.5
149.05981	4.4
149.09647	1.9
149.13214	6.2
152.06206	1.0
153.05443	14.2
154.08614	1.6
163.03879	4.9
163.07518	2.3
165.06949	1.2
167.07053	4.0
167.08502	1.3
177.05458	15.1
177.09138	2.1
177.16382	42.0
178.16681	1.2
195.02910	3.4
195.06516	7.5
195.08234	4.2
195.10202	1.9
195.11949	1.0
195.15804	1.1
195.17433	29.6
196.13353	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.45434	2.3
51.82449	2.7
53.03937	7.3
53.15987	2.2
55.01863	9.2
55.05509	26.1
57.03421	6.2
57.07060	3.4
64.16109	2.4
64.18704	3.0
65.03931	5.7
67.05503	78.1
68.96350	2.9
69.03426	5.3
69.07066	19.7
71.04994	6.6
71.60007	3.6
72.29243	2.5
79.05494	58.3
81.03419	50.1
81.07056	100.0
83.04979	26.3
83.08608	12.3
83.41727	3.0
85.06541	3.3
89.03929	6.4
89.05997	3.1
91.05477	51.8
93.06470	5.5
93.07038	71.4
93.32026	2.8
94.13530	2.5
95.04967	10.9
95.08607	45.2
97.06515	25.3
103.05487	4.4
105.07037	19.2
107.04926	9.8
107.08607	26.9
109.06524	7.6
109.10167	6.5
111.04461	3.7
111.08111	6.1
117.03392	5.9
117.07051	16.6
119.08630	2.7
121.06540	16.7
121.10146	11.3
131.08575	21.9
133.10150	25.5
134.03609	3.6
135.04500	4.1
135.08066	7.9
135.11696	36.4
145.02826	14.3
148.97386	3.4
149.05978	6.3
149.09691	2.8
149.13242	14.4
153.05467	4.1
159.11693	15.5
163.03995	3.1
172.98955	2.6
177.05406	19.2
177.12709	10.9
178.87943	2.5
195.08215	2.9
195.13766	19.2
208.33662	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	4.4
55.01862	5.5
55.05268	1.6
55.05511	23.1
56.91061	1.0
56.96555	1.7
57.03434	7.3
57.07071	2.2
65.03932	2.7
67.05504	64.2
68.09824	0.9
69.03410	3.1
69.07067	17.8
69.48450	3.2
69.48869	5.1
69.83603	1.0
71.01350	2.3
71.04996	8.4
79.05492	51.5
81.03419	28.7
81.07054	100.0
81.46716	1.1
82.07387	1.3
83.04980	18.0
83.08618	9.5
85.02895	2.6
85.06532	4.0
89.03876	1.1
89.06028	1.4
91.05479	37.4
91.21784	1.0
93.07041	62.9
94.07356	2.0
95.04977	12.9
95.08605	38.2
97.06535	13.6
97.10139	1.3
98.20785	1.8
99.08079	1.6
105.07030	14.8
107.04958	4.7
107.08597	27.3
109.06519	4.9
109.10168	5.1
111.08099	5.2
113.09639	1.0
117.03384	2.8
117.07014	13.0
117.45107	1.0
119.08554	4.1
121.06506	9.7
121.10130	11.1
123.08089	1.4
125.05956	1.1
129.07027	1.5
131.08563	11.7
133.10126	17.1
134.10391	1.0
134.53056	1.0
135.04402	1.3
135.08070	5.9
135.11694	28.8
145.02818	5.1
147.11697	1.3
149.06017	1.7
149.09557	1.3
149.13266	15.0
151.11205	3.1
152.06140	1.0
153.02048	1.1
153.05464	2.0
153.09068	1.3
159.11688	14.9
177.05473	5.8
177.12749	11.2
195.03030	3.6
195.06532	2.4
195.08325	1.1
195.11876	1.5
195.13805	12.4
195.15561	1.8
195.17413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	4.8
53.36787	0.8
55.01872	4.7
55.05508	22.3
55.37744	0.8
56.96566	1.9
57.03434	6.3
57.07067	2.7
65.03934	2.9
67.05505	67.0
69.03419	2.8
69.07066	20.4
69.80558	5.2
71.01349	2.7
71.04997	7.4
71.08601	0.9
73.02901	1.4
79.05494	51.4
80.05816	1.2
81.02929	1.3
81.03417	27.4
81.07056	100.0
82.07382	1.2
83.04983	17.5
83.08622	10.4
85.02905	1.7
85.06544	6.4
87.04442	0.9
89.03914	1.8
91.05482	36.0
92.05815	0.8
93.07042	69.8
94.07365	1.5
95.04976	11.2
95.08606	38.8
96.08929	1.1
97.06532	17.7
97.10174	1.9
99.04453	0.8
99.08068	1.8
105.04500	1.0
105.07027	14.3
105.07683	1.3
106.07336	0.9
107.04932	3.8
107.08594	26.9
109.01310	0.8
109.06524	3.9
109.10155	4.2
111.04490	1.0
111.08072	8.1
113.06033	0.9
116.06240	0.9
117.03387	2.1
117.07025	14.1
119.08604	4.6
121.06499	8.4
121.10142	12.0
123.08126	1.6
123.11728	2.0
125.09676	0.8
129.06963	1.3
130.07799	0.9
131.08562	15.0
133.10129	18.6
135.08063	6.0
135.11691	32.4
144.09366	1.7
145.02853	4.2
149.05995	1.4
149.09625	1.8
149.13255	17.4
149.97142	1.3
150.13623	1.0
151.11179	3.2
153.02092	1.2
153.05461	1.6
159.11691	16.2
163.03943	1.7
165.06996	0.9
177.05464	5.1
177.12744	10.6
195.03099	2.8
195.11908	1.7
195.13817	13.9
195.15520	1.4
195.17471	2.1
196.17061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	5.1
55.01874	4.8
55.05262	1.4
55.05511	20.4
56.96562	1.7
57.03439	6.5
57.07067	3.4
59.04983	0.8
65.03934	3.6
67.05504	66.5
68.05853	1.4
69.03426	2.8
69.07068	20.1
69.80659	1.3
69.81070	3.6
71.01349	3.1
71.04991	6.0
73.02905	1.7
77.03907	0.8
79.05492	48.5
81.03419	24.9
81.07056	100.0
82.07383	1.3
83.04980	18.1
83.08620	10.8
84.05318	0.9
85.02916	2.3
85.06532	5.7
89.03930	1.8
91.05479	36.9
91.31945	0.7
93.07042	70.6
94.07366	1.1
95.04973	11.6
95.08604	39.9
97.06522	13.9
97.10174	1.9
99.08084	1.8
103.05494	1.7
105.07022	15.7
107.04959	2.8
107.08591	29.2
109.06524	4.0
109.10126	4.4
111.04464	0.9
111.08078	8.3
113.05981	1.1
113.09671	1.1
117.03376	2.6
117.07023	10.2
117.41599	0.7
119.08593	4.7
121.06500	9.2
121.10139	13.4
123.08110	1.7
123.11751	0.9
125.05975	1.2
126.06112	1.0
129.07027	1.4
131.08565	12.2
132.06851	0.8
132.28046	0.9
133.10121	17.2
135.04393	1.1
135.08031	4.7
135.11687	33.4
139.06761	1.3
143.08435	0.8
143.93994	0.9
145.02806	4.4
145.10063	0.9
149.05978	1.3
149.09607	2.3
149.13266	16.2
149.97235	1.2
150.01012	0.8
151.11194	2.7
153.02162	3.7
153.05524	0.8
159.11694	14.9
163.03970	1.1
163.05887	0.8
163.11232	2.0
163.82570	0.8
167.03725	0.8
167.09978	1.0
177.05408	4.7
177.12743	11.4
178.00536	1.3
195.03204	8.5
195.06508	0.9
195.08154	1.2
195.11848	1.3
195.13820	12.3
195.15567	1.6
195.17484	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.88049	0.9
51.21663	0.8
51.95675	0.8
52.98925	0.9
53.03932	3.9
55.01866	3.4
55.05506	20.4
55.54026	0.8
56.05004	1.0
56.96548	4.0
57.03443	4.3
57.07067	2.1
65.03925	2.1
67.05502	62.9
69.03420	1.2
69.07067	18.5
69.51807	2.0
69.52214	6.7
71.01335	3.9
71.04993	7.3
77.60640	0.9
77.90675	0.8
79.05490	45.6
81.03410	12.7
81.07053	100.0
82.07364	1.9
83.04984	19.0
83.08615	10.8
85.02898	1.2
85.06530	4.4
89.03860	1.2
91.05476	33.0
92.05793	1.0
93.07040	68.5
94.07354	1.5
95.04967	11.6
95.08604	39.0
97.06520	15.3
97.10170	1.2
99.08081	3.1
103.05444	1.7
105.07023	13.4
107.04930	3.6
107.08588	29.6
109.06527	5.0
109.10137	4.4
111.08064	6.2
117.03366	2.5
117.07011	13.3
119.08592	2.6
119.20495	0.9
121.06512	7.6
121.10129	11.7
123.08044	1.1
123.11659	1.0
131.08560	15.2
133.10120	18.9
135.04323	1.0
135.08069	5.2
135.11688	32.9
135.12715	1.9
136.12021	0.9
137.05997	1.0
139.07520	2.0
144.09328	1.0
145.02870	5.3
148.97287	1.2
149.05946	2.1
149.09648	2.1
149.12170	1.8
149.13251	17.2
149.97224	1.4
151.11163	2.6
153.05461	2.6
159.11693	17.0
162.57777	0.9
165.06905	1.0
177.05481	5.0
177.12753	11.6
180.09320	0.9
195.02946	1.2
195.06497	1.8
195.08247	1.2
195.10107	1.2
195.11893	1.8
195.13791	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03932	3.7
55.01855	3.6
55.05511	16.8
56.96567	10.4
57.03423	4.3
57.07072	2.7
65.03926	3.1
67.05504	50.7
68.05836	1.3
69.03398	1.2
69.07069	17.5
70.26105	5.4
71.01347	3.3
71.05003	5.7
71.95254	1.5
79.05490	43.2
81.03419	9.9
81.07055	100.0
82.07388	2.3
83.04985	15.7
83.08620	8.2
85.02891	1.3
85.06533	5.2
89.03915	2.2
90.99034	1.1
91.05476	27.7
93.07042	61.5
94.07360	1.5
95.04977	9.0
95.08604	41.5
97.06526	14.8
99.08114	2.9
103.05408	1.6
103.09995	1.3
105.04466	1.2
105.07035	11.6
107.04983	6.6
107.08595	26.5
109.06525	7.0
109.10159	4.5
111.08098	7.7
113.09629	1.6
117.03382	5.3
117.07002	10.3
119.08570	3.8
121.06480	5.8
121.10162	8.5
123.08064	1.7
123.11671	1.1
125.05987	2.7
125.09655	1.5
131.08563	9.3
133.10126	17.2
135.04404	2.3
135.08049	6.2
135.11690	36.6
136.12029	1.3
137.05925	1.2
138.06671	1.6
139.07545	1.4
145.02821	7.1
149.06021	2.7
149.09621	3.1
149.13260	16.2
149.97200	3.0
151.11185	2.4
153.05469	5.0
159.11699	16.0
163.03862	1.7
165.07013	1.7
167.07037	1.3
167.08498	1.3
177.05461	12.1
177.09047	1.5
177.12758	14.5
188.61575	1.3
195.06561	5.4
195.08104	1.7
195.13828	13.4
195.15581	2.1
196.16942	1.9
213.08008	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.80106	3.8
53.03940	7.5
55.01862	10.0
55.05494	14.7
56.96550	15.8
57.03439	37.0
57.07056	12.0
62.91969	4.2
65.03934	4.5
66.11104	3.3
67.05508	39.5
69.03425	4.8
69.07071	40.7
70.06577	3.2
70.94247	3.8
71.04972	6.0
71.59163	4.3
79.05496	52.0
80.61140	3.2
80.69555	4.0
81.03393	12.6
81.07058	49.8
83.04982	11.7
83.08605	8.2
85.06541	28.2
89.03906	16.2
89.06033	7.1
91.05484	27.6
93.07044	77.6
95.04955	19.5
95.08604	57.5
97.06521	16.1
103.05437	7.7
105.07021	33.7
107.04948	62.1
107.08596	46.3
109.06493	9.0
109.10133	10.5
110.07114	5.2
111.04404	4.9
111.08047	16.4
115.05415	5.6
117.03379	26.0
117.07012	7.4
119.08578	9.0
121.06507	10.1
121.10127	20.8
123.08074	100.0
125.05968	12.3
131.08571	16.4
133.10162	17.7
134.03589	4.8
135.04396	16.7
135.08040	18.3
135.11684	79.2
137.09625	9.3
138.06613	5.9
139.03889	7.6
145.02844	45.4
148.97362	12.1
149.05986	21.1
149.09628	14.6
149.13246	22.1
149.97272	8.3
152.06255	6.7
153.05452	28.2
154.06177	5.9
159.11703	13.6
163.03926	18.4
163.07574	11.4
165.06992	16.0
167.07018	11.5
167.08395	6.5
177.05444	52.3
177.09103	5.0
177.12755	56.8
180.09294	6.5
195.02896	17.3
195.06638	17.5
195.08435	10.5
195.10156	14.5
195.11713	20.7
195.13795	35.8
195.15445	7.1
196.13304	8.0
196.16965	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	195.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05504	0.6
57.03435	0.2
57.07073	0.2
60.08169	1.2
63.02371	0.2
65.03939	4.9
67.05494	0.4
69.03417	0.2
69.07052	0.4
71.05360	0.4
71.05704	0.2
79.05496	0.6
80.04987	0.2
81.07051	0.6
82.06596	1.0
82.20695	0.2
86.05588	0.2
86.06042	0.8
89.03945	0.4
91.05478	0.6
92.05006	10.4
93.03403	2.4
93.07041	0.7
95.04942	0.2
95.08611	0.4
97.02887	0.2
97.06542	0.3
103.05450	0.3
104.54187	0.1
105.07050	0.4
107.04955	1.7
107.08587	0.7
108.04448	0.4
108.73309	0.2
109.06524	0.2
109.10141	0.3
110.06042	100.0
111.04443	6.8
111.06364	1.0
111.08091	0.2
112.04734	0.2
117.03355	0.8
119.08577	0.2
121.06529	0.3
121.10159	0.6
125.06032	0.4
134.03603	0.2
135.04439	0.5
135.08054	0.6
135.11670	0.4
136.03905	0.3
137.13269	0.2
137.58440	0.2
145.02850	1.4
146.70245	0.2
149.05940	0.8
149.09610	0.4
153.05464	1.8
154.06209	0.2
163.03935	0.3
163.07513	0.3
167.07063	0.5
177.05461	1.7
177.09085	0.3
177.12720	0.2
195.02904	0.2
195.06575	1.0
195.08568	0.3
195.11407	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	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.00304	0.8
53.03937	1.7
55.01876	2.4
55.05506	1.8
57.03434	0.5
57.07075	0.7
64.52383	0.4
65.03935	6.7
67.01866	0.5
67.05499	3.5
68.99784	1.4
69.03426	1.2
69.07068	1.7
69.55637	0.7
69.56045	2.7
70.06591	0.6
71.01386	0.4
71.04999	0.6
77.03954	0.8
79.05492	14.5
80.05817	0.5
81.03414	1.6
81.07052	5.1
83.04997	1.0
83.08609	0.7
85.06489	0.5
89.03919	3.0
91.05481	9.3
92.06277	0.5
93.03408	7.2
93.07038	4.5
94.04194	0.4
95.01321	0.5
95.04971	6.8
95.08583	2.8
97.02847	0.4
97.06525	1.7
99.08122	0.4
103.05470	28.7
104.06296	0.6
105.03377	0.7
105.04556	0.4
105.07030	15.5
106.04139	0.5
106.07352	0.7
107.04955	67.1
107.08584	3.8
108.05278	0.7
108.53436	0.4
109.02870	2.0
109.06550	1.9
109.10139	0.6
111.04447	7.4
111.08053	0.9
113.09643	0.4
115.05452	6.2
117.03388	3.9
117.05779	2.5
117.07021	2.8
118.05287	0.4
119.04916	1.3
120.05740	4.4
121.02912	0.6
121.06515	3.4
121.10109	2.6
123.04439	0.9
123.08096	0.7
124.05220	3.8
125.05997	2.4
125.09583	1.0
131.04942	4.1
131.05891	0.8
131.08568	1.1
132.06831	2.8
133.02841	1.3
133.06497	1.1
133.10150	0.6
134.03632	0.6
135.04440	3.3
135.08055	26.6
135.11703	1.8
137.05991	1.3
137.13309	0.8
138.06659	0.7
139.03903	31.3
139.07491	0.9
145.02853	7.1
145.07607	1.9
147.04417	1.1
148.05206	0.8
149.05971	3.0
149.09669	1.0
149.13280	0.7
150.01083	1.4
152.02591	0.9
152.04678	0.7
152.06120	0.6
153.02159	5.8
153.05466	4.6
153.09097	2.2
154.06248	100.0
155.06595	1.0
159.11661	0.8
163.03931	3.1
163.07544	33.3
165.05490	0.7
165.07024	0.7
167.03696	1.4
167.07056	7.3
167.08420	0.6
177.05479	7.4
177.09074	0.8
177.12756	0.5
177.16408	0.8
178.00549	1.0
180.07776	2.7
195.03191	12.8
195.06544	4.2
195.08229	1.7
195.10184	6.9
195.11876	0.9
195.13736	1.0
195.15634	0.5
196.03403	0.5
196.13379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00287	1.0
53.03937	1.7
53.46115	0.5
55.01880	3.8
55.05507	3.0
56.28475	0.6
57.03433	1.5
57.07068	1.8
65.03941	3.8
67.05499	5.4
68.99773	1.2
69.03428	1.7
69.07082	5.1
70.61762	1.7
71.04992	1.2
77.03880	0.7
78.04750	0.7
79.05495	17.6
81.03413	1.2
81.07056	10.3
83.04975	1.2
83.08615	2.5
85.06554	0.6
86.21970	0.5
89.03909	2.2
89.06003	0.6
91.05479	12.9
93.03402	3.1
93.07049	7.4
95.04980	7.1
95.08607	9.9
97.06541	2.2
97.10151	0.8
99.08098	3.7
103.05473	17.8
105.04539	0.9
105.07040	15.4
107.04956	100.0
107.08595	8.4
108.05320	0.8
109.02905	1.2
109.06498	0.8
109.10149	3.1
111.04458	3.2
111.08080	1.6
115.05460	10.1
117.03392	3.5
117.05748	1.9
117.07002	2.9
119.04940	1.1
119.08653	0.6
120.05765	4.1
121.06503	1.9
121.10168	7.4
123.04462	0.9
123.11713	4.4
124.05228	1.9
125.05994	2.3
125.09637	2.6
131.04935	1.9
131.08615	0.9
132.06837	1.7
133.06509	0.9
133.10149	1.0
135.04428	3.2
135.08060	25.5
135.11673	4.9
137.05975	1.4
137.13258	10.0
138.06660	0.7
139.00587	0.7
139.03905	12.9
145.02846	6.3
145.06541	1.0
145.07639	1.9
146.25720	0.7
147.04385	1.8
148.05112	0.8
148.97258	0.7
149.05991	2.4
149.09625	0.7
149.13280	1.7
150.01048	1.2
152.02678	1.1
153.02150	5.2
153.05486	3.6
153.09123	2.1
154.06252	42.5
155.06587	0.7
159.11699	0.9
160.06322	0.7
163.03909	2.1
163.07545	39.7
164.08005	0.7
165.05531	0.8
167.03741	1.1
167.07062	8.0
176.02727	0.6
177.05501	5.8
177.09166	0.7
177.12750	1.2
177.16394	5.4
178.00548	1.1
180.07765	2.8
180.55518	0.6
182.32202	0.5
195.03210	14.7
195.06508	2.3
195.08212	1.4
195.10156	7.7
195.13814	0.9
195.17435	3.7
196.13353	1.5
213.89909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01856	1.5
55.05516	0.6
57.03435	0.4
57.07059	0.5
61.67433	0.4
65.03940	5.2
67.05488	1.5
69.07058	1.0
70.24937	1.7
78.04704	0.4
79.05048	0.6
79.05492	6.1
81.03410	0.6
81.07056	1.9
83.04980	0.5
83.08569	0.4
89.03901	1.0
91.05484	5.5
93.03404	6.5
93.07027	1.6
94.04198	0.5
95.04984	2.7
95.08608	2.2
103.05462	24.9
103.68109	0.4
104.05775	0.4
105.07024	9.1
107.04951	31.0
107.08567	1.4
108.05297	0.7
109.02874	1.8
109.06544	0.7
109.10156	0.8
111.04433	6.3
115.05450	3.9
117.03372	1.0
117.05737	1.4
117.07017	1.6
119.04928	0.4
120.05702	2.3
121.02879	0.4
121.06497	1.7
121.10131	1.6
123.11682	0.9
124.05206	2.1
125.05968	1.6
129.01025	0.4
131.04941	3.5
131.05870	0.6
132.06807	1.0
133.02873	0.6
133.06488	1.2
135.04387	1.4
135.08055	17.1
135.11671	0.5
137.13252	2.6
139.03899	29.0
140.04224	0.5
145.02824	2.0
145.06512	0.8
145.07614	1.1
148.05179	1.3
149.05963	0.8
149.13170	0.4
150.01048	0.8
152.02643	0.5
153.02202	2.8
153.05440	1.4
154.06242	100.0
155.06613	1.7
160.06447	0.4
163.03905	1.6
163.07535	23.7
164.07919	0.6
167.03719	0.6
167.07034	4.5
171.49304	0.4
177.05507	1.7
177.16386	1.3
178.00555	0.7
180.07755	0.6
187.69626	0.4
195.03195	7.6
195.06551	0.9
195.08354	0.6
195.10172	5.3
195.17468	0.9
209.13350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02400	0.8
53.00311	1.2
53.03953	3.1
55.01875	4.6
55.05510	5.9
55.42632	0.5
56.96565	23.2
57.03440	3.1
57.07074	2.0
58.06620	0.5
59.05009	0.9
61.02935	1.5
65.03935	2.6
67.01901	0.5
67.05497	4.4
68.00255	0.5
68.99780	1.1
69.03427	6.9
69.07067	4.2
70.06600	0.7
71.01369	0.8
71.04994	1.6
71.59001	0.7
72.04530	0.5
73.02898	2.6
74.97601	0.5
76.07648	1.6
77.03903	0.7
78.04708	1.2
79.05490	19.4
80.05847	0.5
81.03420	3.2
81.07058	6.5
83.01359	1.1
83.04986	1.9
83.06120	0.5
83.08633	3.7
84.96033	0.5
85.02907	8.3
85.06552	2.2
85.10200	0.9
86.01334	0.6
87.04474	1.2
89.00825	0.8
89.03926	4.7
89.06022	1.1
89.22620	0.4
90.01558	2.1
91.05476	14.1
92.01309	1.0
92.04990	0.6
92.06277	0.6
93.03420	1.6
93.07043	8.5
94.04157	0.6
94.06545	0.5
95.04967	8.7
95.08606	3.5
96.01543	0.9
97.02891	9.5
97.06535	2.4
97.88337	0.6
98.01304	0.7
98.97584	6.7
99.02090	1.2
99.04488	1.5
99.08100	0.6
103.05469	12.2
104.01311	0.9
105.02070	0.6
105.03386	1.3
105.04505	0.9
105.07027	15.2
106.04160	1.3
106.07365	0.5
107.04954	100.0
107.08599	7.6
108.05223	0.9
109.02882	2.0
109.06510	4.2
109.10155	1.8
110.01288	2.5
110.03640	1.0
110.06046	6.8
110.97628	0.6
111.04445	5.8
111.08076	3.4
113.01822	0.8
115.05458	7.7
116.06268	0.8
116.98619	7.4
117.03374	7.4
117.07025	3.6
119.01790	5.5
119.04924	1.6
119.08576	1.9
120.05720	3.1
121.02877	1.2
121.06514	3.4
121.10146	3.1
123.04453	4.0
123.08067	1.2
124.05198	2.9
125.02352	0.5
125.06025	4.0
125.09566	0.5
127.03904	1.9
128.02316	9.9
128.03236	0.8
128.52477	0.8
128.98660	2.3
130.52577	1.3
131.04921	2.0
131.08546	2.2
133.02827	1.9
133.06470	1.5
134.03598	1.7
134.07242	0.6
134.99670	6.0
135.04431	4.8
135.08055	24.1
135.11676	3.3
137.02895	2.6
137.06000	3.2
137.09631	1.3
138.03148	0.8
138.06633	0.9
139.03894	2.1
139.07520	1.5
139.53113	1.3
141.05518	0.6
143.07021	0.6
145.02838	11.2
145.06485	1.0
145.07579	1.8
146.99663	2.5
147.03377	0.7
147.04369	3.0
148.05142	0.9
148.97267	0.9
149.02310	1.5
149.05975	5.7
149.09641	3.9
149.13205	0.9
151.03868	1.5
151.07558	3.4
152.04646	1.2
153.00658	0.6
153.01808	1.0
153.04353	0.8
153.05479	11.6
153.09062	0.9
154.06247	6.2
154.95638	0.5
158.99619	1.8
159.11624	0.9
161.01186	1.7
161.05910	0.5
162.99129	0.6
163.03908	4.0
163.07545	26.4
165.00661	0.9
165.05457	1.9
165.06784	0.7
167.03325	1.1
167.07047	33.1
168.07362	0.6
175.06433	4.3
177.00737	2.7
177.05481	14.3
177.09079	4.4
177.12735	1.2
177.16286	0.9
179.02194	0.7
180.07825	7.6
183.05977	4.4
189.00694	1.1
192.06483	4.4
193.07500	4.0
194.56741	1.1
195.01299	0.9
195.02846	3.6
195.06580	5.9
195.08427	1.3
195.10120	23.8
195.13747	1.6
195.15524	0.6
195.17436	0.6
196.10623	0.5
196.13284	2.1
200.02271	0.6
203.05865	1.7
203.57193	0.7
207.01958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.01088	0.7
53.03949	2.3
55.01872	2.3
55.05508	1.2
56.96560	1.2
57.03421	0.7
65.03940	2.5
67.05505	2.0
68.05040	0.7
68.99788	0.7
69.03425	1.4
69.07063	1.8
71.04981	0.8
71.58923	0.9
71.59283	0.8
72.44480	0.7
78.04713	1.6
78.19576	0.5
79.05493	17.7
80.05003	0.7
81.03421	1.2
81.07066	4.0
83.04992	1.7
85.02899	1.1
89.03902	6.6
89.06033	1.1
91.05479	12.5
93.03384	0.6
93.07039	3.6
95.04960	8.8
95.08605	1.6
103.05477	13.6
105.03387	0.8
105.04509	1.2
105.07029	14.2
106.04191	1.5
107.04953	100.0
107.08559	4.7
108.05296	1.2
109.02889	0.8
109.06518	1.9
109.10181	1.0
110.03673	1.3
111.04430	3.1
111.08060	1.5
113.83043	0.7
115.05460	9.2
116.98606	0.8
117.03388	11.1
117.06996	3.3
119.04964	2.2
119.08588	0.8
120.05743	3.8
121.02840	0.8
121.06508	3.2
121.10115	1.4
122.06020	1.1
123.04461	3.7
123.08044	0.7
124.05192	2.5
125.06013	4.3
131.04909	2.2
132.52052	0.7
133.02832	0.9
133.06476	1.4
134.03619	2.4
135.04433	4.3
135.08049	24.0
135.11678	2.1
137.05960	2.7
137.09613	0.8
138.03015	0.8
139.03903	3.6
139.07494	1.0
141.05446	0.7
143.98558	0.7
145.02846	16.5
145.03978	0.8
145.07599	1.0
147.04410	3.1
148.05197	1.0
149.05983	5.0
149.09576	1.2
149.13293	1.0
150.09164	1.2
151.03882	3.6
152.04558	0.9
153.05460	14.8
154.04979	3.5
154.06229	6.8
159.11565	0.7
162.03032	0.7
163.03951	3.5
163.07536	25.7
164.08078	0.7
165.05486	1.8
167.03404	0.9
167.07047	35.6
172.77347	0.7
177.05478	16.7
177.09114	1.5
178.04868	0.9
178.08665	0.8
180.07831	8.1
195.02933	1.9
195.06541	5.7
195.08415	1.9
195.10159	22.8
195.13829	1.8
195.15685	1.0
196.10841	0.7
196.13139	1.0
197.01059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.00300	0.3
53.03938	0.7
55.01870	3.8
55.05501	1.2
56.96560	0.7
57.03426	0.9
57.07072	0.6
60.08189	0.2
65.03931	3.3
67.05499	2.2
67.61535	0.2
68.96320	0.3
68.99782	0.8
69.03420	1.7
69.07063	1.4
71.04977	0.5
71.59158	0.3
78.04684	0.3
79.03308	0.2
79.05490	5.2
81.03401	1.6
81.07046	2.4
82.03733	0.3
82.04190	0.7
83.04971	1.0
83.08608	0.4
85.02893	3.6
85.06531	0.4
85.44337	0.2
89.03924	1.9
89.06014	0.5
91.05476	6.1
92.04996	1.5
93.03390	2.5
93.07034	3.0
95.04953	2.5
95.08617	2.3
97.02868	0.8
97.06522	3.7
99.04449	0.3
99.08039	0.3
99.24759	0.3
103.05450	1.6
105.07021	2.3
106.04204	0.3
107.04947	13.9
107.08581	2.7
109.02857	1.5
109.06499	1.1
109.10136	0.7
110.03663	1.8
110.06031	18.1
111.04433	6.6
111.05579	0.3
111.08064	0.6
113.05975	0.3
115.05441	0.8
117.03362	3.1
117.07032	0.6
119.04967	1.1
119.08584	1.1
120.05672	0.3
121.02849	0.9
121.06517	1.2
121.10117	2.2
123.04404	0.6
123.08054	0.5
124.05200	0.5
125.02345	0.4
125.05984	12.5
125.09599	0.5
127.03915	0.5
131.08557	1.0
133.02846	0.8
134.03615	1.2
135.04408	5.2
135.08040	3.2
135.11653	2.2
137.05983	0.8
137.09584	0.5
137.13231	0.6
138.03104	5.5
138.06618	0.6
139.03926	1.2
139.07567	0.6
139.54045	0.3
141.05447	5.2
145.02840	4.9
145.03879	0.2
147.04382	0.5
148.97357	0.4
149.02354	0.5
149.05969	4.1
149.09587	1.1
149.13242	0.7
151.03897	0.6
152.04356	1.5
152.06140	0.3
153.05450	100.0
154.05803	1.2
159.11711	0.5
163.03874	2.4
163.07526	2.2
165.05444	0.6
165.06935	0.5
167.03357	1.2
167.07031	6.2
167.08427	0.2
171.98930	0.4
177.05452	6.4
177.09111	0.8
177.12718	0.8
177.16348	0.6
180.04117	0.7
180.07771	0.6
180.09227	0.2
195.02881	3.6
195.06511	47.6
195.09976	2.4
195.17407	0.6
196.06969	0.3
198.58609	0.2
213.07669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.59984	0.6
53.03954	1.4
55.01871	1.2
56.96561	1.2
59.53572	0.7
62.38390	0.6
63.02391	0.8
65.03947	2.2
67.05502	0.7
69.03423	1.4
70.14201	3.0
71.10883	0.6
74.73683	0.6
78.04716	1.6
79.05500	4.4
81.03449	0.8
81.07051	2.6
83.04993	1.0
85.02900	0.9
89.03915	36.3
91.05477	5.4
93.07063	1.2
95.04947	1.9
95.08617	1.0
97.02889	0.6
97.59396	0.7
98.97588	1.9
103.05476	2.0
105.07016	1.4
106.04166	2.9
107.04954	10.3
107.08570	1.8
109.10154	1.1
110.07170	0.6
111.04448	3.1
111.07998	0.8
115.05450	1.4
117.03377	57.2
119.04926	1.0
121.06503	2.6
121.10130	1.1
123.04489	0.9
123.73603	0.6
124.05194	1.7
125.05993	3.6
131.08557	1.1
134.03618	10.9
135.04411	12.1
135.08046	2.4
135.11716	0.7
145.02844	100.0
146.03175	0.7
149.05977	26.6
149.09625	1.2
153.05469	12.1
154.06235	1.1
156.35617	0.7
158.99649	0.8
162.03130	1.7
163.03893	12.5
163.07549	1.9
167.03355	1.9
167.07034	2.2
177.05466	99.4
186.05505	2.9
189.00232	0.6
195.02913	1.5
195.06517	6.0
195.08449	1.6
195.10208	2.0
195.15640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.22786	0.7
52.69864	0.6
53.03944	1.7
55.01865	1.7
55.05528	0.5
56.96570	1.1
60.08165	1.6
63.02374	1.4
65.03943	2.3
67.05494	1.4
69.07068	3.6
70.83781	1.8
71.04976	0.6
78.04703	1.4
79.05492	3.9
81.03419	3.7
81.07043	1.6
89.03912	31.3
90.15189	0.6
91.05477	6.0
93.03406	2.4
93.07032	2.2
95.04947	2.8
95.08611	0.8
97.06460	0.7
102.65889	0.6
103.05471	2.1
105.04459	0.6
105.07010	1.0
106.04172	2.0
107.04927	4.3
107.08594	1.8
108.04501	0.9
109.02874	0.8
109.06540	1.0
109.15150	0.6
110.06042	9.5
111.04439	6.7
115.81330	0.6
117.03373	55.4
119.04916	0.9
121.02820	0.8
121.06477	1.6
121.10159	1.0
124.05188	1.1
125.05993	5.5
132.42441	0.6
134.03647	10.5
135.03398	1.0
135.04414	12.7
135.08043	1.6
135.11713	0.8
138.03111	1.1
139.03886	0.7
145.02837	93.6
146.03191	1.0
148.97398	1.4
149.05972	27.3
149.09532	0.9
153.05457	22.8
153.18452	0.6
162.03084	3.1
163.03896	13.8
167.07060	1.0
167.08447	0.6
170.60149	0.6
177.05460	100.0
180.03078	0.8
186.05478	2.1
187.33971	0.6
195.02898	1.8
195.06700	6.5
195.08339	1.3
195.11302	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	1.3
55.01859	2.8
55.05503	1.3
56.96556	2.7
57.07055	1.2
60.85260	0.5
63.02365	1.3
65.03936	3.2
67.05492	2.1
68.99778	1.1
69.03424	1.5
69.07073	1.5
70.70239	0.6
71.49747	1.2
72.93804	0.6
77.03880	0.7
78.04697	2.0
79.05497	4.9
81.03402	1.4
81.04517	0.7
81.07039	2.1
82.91479	0.6
83.04977	0.7
83.06125	1.0
85.02897	1.9
89.03919	35.1
91.05494	5.4
93.03400	2.0
93.07041	2.5
95.04954	3.7
95.06070	0.7
95.08591	1.4
97.06512	3.0
103.05482	3.3
105.03382	1.8
105.07022	1.2
106.04169	2.1
107.04960	13.2
107.08585	2.5
109.02860	1.5
109.06518	1.1
109.10116	0.7
110.03676	1.0
111.04448	7.1
111.05585	1.1
111.08092	0.9
117.03385	58.6
119.04924	1.1
121.02853	5.5
121.06502	2.6
121.10165	1.2
123.04402	1.5
124.05207	0.9
125.06003	7.9
131.04929	0.9
131.08586	0.8
133.02840	1.4
133.06566	0.6
134.03641	11.4
134.99683	1.1
135.04425	13.5
135.08034	2.1
135.11603	1.0
137.09587	1.0
138.03127	3.3
138.06613	1.6
139.03914	1.7
141.05473	2.2
145.02847	100.0
148.97380	0.9
149.02370	4.1
149.05981	28.0
149.09647	1.2
151.03897	0.8
152.04388	1.3
153.05467	52.1
154.06160	0.6
161.01065	0.7
162.03107	2.3
163.03909	17.4
163.07552	1.5
167.03394	1.2
167.07037	2.9
167.08467	1.1
177.02124	4.3
177.05475	89.0
177.09056	2.1
180.04039	0.8
186.05562	3.0
195.02885	5.3
195.06548	22.7
195.08289	1.2
195.10252	1.6
195.12131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.21005	1.0
51.31016	0.9
53.03940	6.5
55.01867	6.9
55.05506	23.4
56.96554	2.4
57.03439	5.1
57.07060	3.8
58.56413	0.9
59.04993	2.0
61.86550	1.1
65.03926	4.1
66.04693	1.1
67.05499	42.1
67.48436	0.9
68.99796	1.0
69.03426	9.6
69.07062	17.4
70.06568	1.2
71.04982	6.3
71.08628	2.1
71.32896	2.2
77.03921	2.3
79.05487	34.1
80.05012	1.6
81.03413	100.0
81.06583	2.1
81.07052	31.8
82.03746	2.5
82.07397	1.2
83.01304	1.2
83.04980	14.0
83.08609	17.2
85.02908	1.4
85.06541	6.8
86.06053	1.4
89.03897	2.0
90.04700	1.7
91.05473	34.8
92.05785	1.1
93.07040	26.7
94.04173	2.3
95.04966	49.0
95.08600	31.0
97.02876	2.2
97.06503	4.4
97.10153	2.8
98.06062	1.3
99.08092	10.0
103.05455	13.5
104.05042	1.2
104.06271	1.6
105.03371	5.0
105.07023	96.9
106.06629	1.5
106.07301	2.1
107.04950	10.2
107.08587	24.8
108.08887	1.1
109.02849	3.0
109.06519	17.9
109.10151	44.6
111.04420	2.6
111.08080	5.4
115.05444	15.7
117.06985	3.0
118.04152	7.8
119.04918	3.8
119.08571	42.5
120.08067	1.2
121.02853	1.2
121.06475	3.6
121.10146	21.1
122.03594	5.2
123.04431	4.1
123.08050	17.7
123.11682	9.7
124.08845	1.3
125.09608	1.9
128.06203	1.7
129.07027	7.7
131.04884	2.8
131.08569	9.9
132.04468	1.8
132.05696	3.4
133.02849	38.4
133.06490	58.0
133.09111	2.3
133.10123	47.0
134.03551	1.4
134.06938	2.3
135.04408	1.4
135.08023	3.0
135.10696	1.6
135.11679	21.1
137.02330	2.0
137.05957	17.8
137.09608	22.3
137.13200	3.1
142.07768	3.5
143.05995	2.8
145.10088	3.7
146.97444	1.5
147.04376	3.8
147.08028	4.9
147.11685	16.9
149.02347	5.8
149.05986	3.8
149.09602	4.4
149.13234	6.4
150.03073	4.4
151.02733	2.0
151.03894	33.3
151.07510	2.9
151.11159	9.3
151.14816	5.5
152.04645	4.5
157.10107	7.1
160.05069	4.0
161.02342	2.7
161.06075	40.9
165.01660	1.1
165.05472	6.2
165.06717	1.2
165.09047	2.3
165.12715	2.4
165.16350	3.0
165.20609	1.1
166.06267	5.0
166.08563	1.7
173.13188	1.8
175.03889	1.6
175.07544	2.6
175.11171	7.1
175.13499	1.9
175.14851	27.5
178.02589	17.7
178.06236	1.1
178.07724	1.3
179.03323	4.8
185.08870	1.2
193.04944	59.7
193.08617	18.5
193.10475	2.2
193.12247	17.5
193.14143	2.3
193.15904	42.8
193.17546	1.5
194.05652	7.9
194.08096	3.5
194.15399	3.0
203.15160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02372	0.9
53.03942	4.5
53.39814	0.4
53.40482	0.5
55.01866	4.4
55.05259	0.9
55.05510	12.0
57.03436	2.7
57.07072	1.6
59.05001	1.8
65.03938	3.3
67.05504	28.3
68.05824	0.5
69.03423	3.4
69.07063	7.7
70.21977	1.6
71.01360	0.8
71.04986	6.6
79.05491	22.3
81.03416	100.0
81.07053	18.9
82.03741	1.3
83.04967	5.5
83.08621	11.5
83.79473	0.5
85.06535	4.1
87.08106	0.7
91.05479	24.2
93.07043	15.5
95.04967	39.4
95.08604	14.8
96.05318	1.1
97.02898	1.8
97.06549	2.4
97.10176	1.7
99.08086	1.5
99.30067	0.6
103.05490	3.1
104.06255	1.0
105.04503	0.5
105.07027	32.9
106.07339	0.6
106.75349	0.5
107.04951	8.2
107.07862	1.2
107.08594	23.0
109.02845	0.6
109.06519	12.4
109.10152	11.9
111.04463	2.2
111.08084	3.6
111.11727	1.0
115.05438	4.8
116.06237	0.9
117.07041	1.9
118.04151	1.8
119.04945	1.4
119.08584	19.0
121.06506	2.1
121.10145	9.5
123.04435	2.5
123.08056	7.8
123.11713	5.3
125.09672	0.7
128.06218	1.1
129.07011	7.3
131.04938	1.2
131.08585	7.8
132.05782	0.7
133.02852	6.7
133.06499	13.9
133.07452	1.0
133.10130	22.1
135.08025	1.0
135.11693	13.2
137.06006	3.4
137.09601	8.6
142.07782	2.5
145.10075	1.1
146.97418	0.5
147.04349	1.1
147.08064	4.9
147.11690	8.0
149.02344	0.7
149.05992	0.7
149.09637	5.1
149.13234	3.1
150.03033	0.7
151.03879	1.0
151.11209	4.2
151.14816	1.9
157.10115	5.9
160.05190	0.5
161.06039	6.8
165.05450	1.0
165.09175	0.9
165.11549	0.5
165.12738	2.6
166.08743	0.5
175.07584	0.5
175.11174	6.5
175.14815	12.9
177.09012	0.6
178.02650	3.1
193.04956	11.1
193.08632	5.4
193.10429	0.9
193.12224	11.3
193.15877	16.2
193.17644	1.0
194.05197	0.7
194.08209	0.5
194.12695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.52101	1.8
53.03934	5.4
55.01866	4.0
55.05266	2.4
55.05508	34.2
56.46905	1.5
57.03422	6.7
57.07069	12.8
59.04992	3.9
63.10703	1.6
65.03947	10.4
67.05502	41.0
69.03426	19.4
69.07067	26.3
70.06576	1.6
71.04976	10.6
71.05420	5.2
71.08611	3.5
79.05072	1.7
79.05496	26.2
81.03415	31.7
81.07054	44.2
83.04976	23.5
83.08614	18.7
85.06527	11.7
91.05478	31.6
93.07042	40.1
95.04961	23.0
95.08605	72.0
97.06541	6.0
97.10166	4.6
99.08080	5.1
101.77498	1.7
103.05458	9.7
104.06235	2.5
105.03384	3.2
105.07027	75.6
107.04944	5.3
107.08586	49.5
109.06513	43.6
109.10149	77.1
111.08061	9.2
111.80182	1.7
115.05447	7.7
117.06997	2.8
118.04117	3.3
119.04919	2.0
119.08577	66.3
120.08957	2.0
121.10140	55.1
122.03642	6.1
122.07246	2.1
122.10445	2.3
123.08060	43.6
123.11704	26.4
125.09602	4.8
129.06981	2.8
131.04924	4.0
131.08572	6.7
133.02853	44.3
133.06491	30.2
133.10120	71.0
135.07997	2.1
135.11685	57.5
137.05988	17.7
137.08659	3.2
137.09613	38.8
137.13187	8.9
138.10400	7.9
139.03862	2.2
139.11130	2.3
145.10104	2.6
147.04347	3.5
147.08023	3.8
147.11699	18.5
149.02356	18.6
149.03450	3.2
149.05971	4.2
149.09598	3.3
149.13264	19.9
150.03075	3.4
151.11157	14.4
151.14810	9.5
157.10147	3.0
160.05081	1.8
161.02353	2.4
161.06113	14.2
165.05457	8.3
165.09125	3.1
165.12724	2.6
165.16400	7.5
173.13361	2.0
174.31174	1.8
175.11172	5.0
175.14819	69.3
176.15202	2.4
178.02591	23.6
179.03162	1.7
193.04959	88.1
193.08601	16.4
193.10162	2.1
193.12099	8.6
193.15877	100.0
194.05437	3.4
194.15187	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.98386	1.6
53.03934	3.2
55.05268	2.1
55.05516	24.7
57.03428	6.7
57.07061	6.7
59.05000	4.0
64.65760	1.6
67.05505	28.3
67.75644	1.6
69.03423	13.5
69.07069	22.8
71.04999	11.6
71.13478	4.7
79.05493	10.9
81.03423	7.9
81.07054	31.9
83.04988	13.7
83.08619	16.2
85.06540	11.6
91.05485	14.4
92.35004	1.7
93.07053	27.5
95.04961	7.2
95.08610	61.6
97.06520	5.5
97.10154	4.2
99.08091	8.7
103.05453	2.5
105.05565	1.7
105.06314	1.8
105.07023	35.5
107.08596	41.4
109.06519	47.0
109.10159	72.1
111.08102	10.1
115.05452	2.6
119.08587	61.6
121.10148	57.6
121.11038	3.2
121.29149	1.5
123.08073	44.3
123.11707	26.0
125.09658	3.3
131.08600	3.8
133.02835	5.3
133.06473	8.1
133.10138	63.3
135.10678	3.7
135.11685	51.2
137.09619	33.4
137.13228	6.6
138.10362	4.8
145.10146	1.9
147.09085	1.9
147.11673	12.7
149.13254	23.5
151.11168	14.3
151.14801	9.3
161.05956	7.6
165.15152	1.8
165.16412	7.1
175.14819	80.8
176.15176	1.9
192.77342	1.9
193.04945	6.5
193.15881	100.0
194.16212	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.76976	1.7
53.03939	8.2
53.94630	1.4
55.01859	6.2
55.05510	56.2
57.03420	5.8
57.07079	10.3
59.04986	4.5
65.03928	4.6
67.05505	63.8
69.03426	8.1
69.06722	2.3
69.07066	33.4
71.04989	7.9
71.22713	3.2
71.23077	2.2
77.03905	2.0
79.05492	37.1
81.03417	71.2
81.06577	3.2
81.07056	66.4
83.04979	80.0
83.08613	20.1
85.06539	17.2
89.03925	2.1
91.05479	39.1
93.06483	2.8
93.07042	38.8
94.04154	3.0
95.04966	39.8
95.08602	50.4
96.08945	1.6
97.02892	1.7
97.06512	6.3
97.10169	3.6
97.13814	1.7
98.06036	1.7
99.08086	23.6
101.03986	1.7
103.05481	8.4
104.06286	1.7
105.03391	4.5
105.07028	77.8
106.07309	1.8
107.04979	8.9
107.08595	42.0
108.04513	2.0
109.06514	28.8
109.10155	74.5
111.04483	2.0
111.08092	9.6
113.09689	2.6
115.05404	7.4
117.06992	4.4
118.04143	4.4
119.04927	3.7
119.08578	59.7
121.06493	2.8
121.09321	2.4
121.10144	28.6
122.03661	8.8
123.04443	3.1
123.08061	26.3
123.11714	14.0
125.09632	3.2
129.06992	7.2
131.04961	2.3
131.08600	9.2
133.02853	54.2
133.06497	35.0
133.10126	60.1
134.03177	2.6
135.08070	3.4
135.11699	38.9
137.05977	21.6
137.09610	51.6
138.10422	2.6
139.11172	2.4
142.07758	3.0
145.10167	2.0
146.97499	2.0
147.04456	3.5
147.08041	5.5
147.11702	14.3
149.05994	4.8
149.09604	4.4
149.13232	9.3
150.03116	7.1
150.06728	2.2
151.03908	8.0
151.11172	10.8
151.14796	3.7
157.10144	4.9
160.05080	3.0
161.05862	17.6
165.05463	5.8
165.12766	4.3
165.16397	2.8
175.03900	2.1
175.11215	7.4
175.14824	34.9
176.03336	2.0
178.02618	31.6
193.04965	100.0
193.08641	13.8
193.10193	2.0
193.10733	1.8
193.12215	12.0
193.15877	67.3
193.17641	3.7
194.05617	3.4
194.08063	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	8.9
55.01884	8.3
55.05511	53.2
56.96571	2.3
57.03426	9.3
57.07077	12.2
59.04984	4.2
60.13080	1.6
65.03930	4.7
65.20784	1.4
66.04687	1.8
67.05504	54.3
67.05870	3.0
69.03429	12.7
69.06682	2.0
69.07066	40.7
70.74870	4.3
71.04992	14.2
77.03858	1.9
79.05491	52.6
79.05962	2.5
80.01063	1.6
80.05812	11.1
81.03418	61.5
81.06579	3.3
81.07056	70.6
83.04979	83.1
83.06065	2.3
83.08617	18.5
85.06548	13.8
85.41380	1.7
91.05479	36.9
92.05775	1.7
93.07040	36.6
94.04240	2.0
95.04975	31.2
95.08604	76.0
97.02910	2.7
97.06532	9.1
97.10168	3.9
99.08115	9.1
99.08657	1.6
103.05466	13.7
105.03368	1.9
105.07027	100.0
106.06566	34.4
106.07298	2.1
107.04942	6.9
107.06286	3.3
107.06885	61.3
107.08580	48.0
108.05684	1.8
109.06506	41.7
109.10153	79.0
110.06857	1.9
111.08083	10.8
115.05457	14.0
117.07008	5.1
118.04151	9.3
119.04940	2.8
119.08581	71.8
120.08893	2.8
121.06485	9.5
121.09323	2.9
121.10146	45.4
122.03638	2.6
122.06835	6.7
123.04481	3.6
123.08072	37.0
123.11708	23.2
125.09584	4.5
129.06981	6.2
131.04924	2.9
131.08533	8.8
132.05678	3.0
133.02849	25.8
133.04816	4.6
133.06497	75.2
133.10130	72.1
134.06938	2.2
134.10539	2.0
135.08090	1.8
135.11687	56.9
136.07512	1.5
137.05965	13.8
137.09612	45.1
137.13266	2.4
138.10353	3.2
142.07765	1.9
143.04915	4.3
143.05994	2.9
145.10120	5.4
146.97540	1.8
147.04395	4.1
147.07979	2.7
147.11690	14.8
149.05992	3.5
149.09602	2.0
149.13258	13.6
150.03065	3.8
150.06737	1.7
151.03835	2.0
151.07535	2.2
151.11177	13.3
151.14799	6.5
157.10092	3.4
157.94408	1.7
160.05096	6.7
161.06102	49.6
165.05466	3.5
165.09071	3.7
165.16391	4.6
175.04111	1.7
175.07457	2.2
175.11212	4.9
175.14825	69.8
176.12047	1.5
178.02609	15.4
178.06227	3.0
189.97638	1.5
193.04977	53.4
193.08621	29.7
193.10414	3.4
193.12213	9.9
193.15875	87.1
194.16101	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03942	1.6
53.72445	1.0
55.05513	12.8
56.96552	2.5
57.07071	3.1
59.05002	1.5
65.03942	2.6
67.05507	12.9
69.03426	1.5
69.06722	1.9
69.07069	25.7
69.55037	5.4
69.55459	3.1
71.04995	18.7
79.05488	10.2
81.03416	5.4
81.07059	24.5
83.04977	2.3
83.08612	3.6
85.06552	14.3
91.05472	10.6
93.06483	1.5
93.07050	28.7
95.04372	1.9
95.04974	35.3
95.08613	22.9
97.06538	2.7
97.10165	7.5
99.08079	3.6
103.05442	1.1
105.07032	15.3
107.08595	31.6
109.06521	100.0
109.10169	14.4
110.06835	2.0
111.08060	5.9
111.11726	2.3
119.08586	30.8
121.10148	8.1
123.08059	9.0
123.11720	21.2
131.08514	1.9
133.02843	5.9
133.10129	24.9
135.08188	1.2
135.11699	34.0
137.05957	2.5
137.09621	13.8
147.11664	4.9
149.02351	1.6
149.13248	7.7
151.11186	6.9
161.05565	1.2
162.26830	1.2
165.05458	1.4
166.08701	1.4
175.11246	1.3
175.14833	34.2
176.15166	1.6
178.02588	3.1
193.04942	13.7
193.12230	3.0
193.15874	43.2
194.08104	1.5
194.16336	2.2
201.51057	1.2
206.25877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02374	1.2
53.03938	6.0
55.01867	6.4
55.05264	1.8
55.05511	28.2
56.96555	1.2
57.03421	4.3
57.07071	5.8
59.04984	3.9
65.03933	4.4
65.60460	1.0
66.04690	1.2
67.05501	41.0
68.99772	2.8
69.03419	10.2
69.06725	1.8
69.07066	24.1
71.04988	6.9
71.08608	1.5
71.58413	1.3
71.58843	1.8
74.62048	1.1
75.05637	1.0
77.03912	2.0
79.05492	35.3
80.05828	5.4
81.03416	55.4
81.07055	40.6
83.04981	30.4
83.08617	15.1
85.02890	1.6
85.06528	6.8
87.04434	1.2
89.03905	1.8
89.21658	1.1
90.04668	1.5
91.05478	32.7
92.05824	1.3
93.07042	28.5
94.04194	1.0
94.06575	1.5
94.07320	1.3
95.04967	30.1
95.06074	1.1
95.08611	40.4
96.13605	1.0
97.02870	2.0
97.06516	5.6
97.10178	3.1
99.08075	5.2
103.05462	13.1
104.06287	1.6
105.03366	4.8
105.07029	100.0
106.06565	20.9
106.07326	3.4
107.04969	6.8
107.06236	3.1
107.06887	40.7
107.08587	29.5
109.02890	2.0
109.06513	21.9
109.07633	2.7
109.10158	43.1
111.04438	2.1
111.08060	7.3
115.05447	18.5
116.98603	1.3
117.07004	5.7
118.04162	7.9
119.04931	4.6
119.08577	59.0
120.08116	1.2
120.08883	1.3
121.02847	1.7
121.06499	5.7
121.10139	27.6
122.03628	5.9
122.06984	1.6
123.04402	3.4
123.08068	22.6
123.11713	11.0
125.09622	3.1
129.06972	4.9
131.04912	4.6
131.08543	8.2
132.04381	1.6
132.05669	2.4
133.02853	39.4
133.04854	2.8
133.06497	88.0
133.10123	56.8
134.03218	1.8
134.06857	3.6
134.10474	1.7
135.08063	1.9
135.11690	36.9
136.07562	2.7
137.02397	1.2
137.05971	24.4
137.09613	29.5
137.10622	1.0
137.13226	1.9
139.11278	1.4
142.07755	1.7
143.04906	4.3
143.06001	2.6
145.10098	2.7
146.97458	1.3
147.04410	5.9
147.08034	4.7
147.11676	18.6
148.07550	1.7
148.08583	1.3
149.04083	1.6
149.05949	5.0
149.09578	3.1
149.13254	9.1
150.03140	5.5
150.06726	2.1
151.03893	3.8
151.07539	2.5
151.11186	9.0
151.14812	5.1
157.10132	3.6
160.05064	10.3
160.12428	1.7
161.02383	2.3
161.06093	61.6
162.06474	2.2
163.03841	1.2
165.05457	7.9
165.09087	5.0
165.16370	2.8
175.03893	1.3
175.07491	5.5
175.11218	3.7
175.14827	61.0
176.15157	1.8
178.02596	18.6
178.06192	2.2
193.03078	4.6
193.04955	63.7
193.08627	44.6
193.12234	11.9
193.15887	59.6
194.05424	2.2
194.08162	2.9
194.15373	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.98415	0.4
53.03948	6.1
55.01874	3.0
55.05511	8.6
56.96571	0.6
57.03431	2.5
60.76004	0.3
61.77557	0.3
65.03942	2.7
67.05504	26.6
69.03432	3.4
69.07060	3.0
70.25616	1.7
70.96124	0.4
71.04990	2.2
78.23316	0.4
79.05494	19.5
81.03416	100.0
81.07056	13.2
82.03742	0.7
82.07343	0.4
83.04974	4.6
83.08617	10.6
85.02893	0.5
85.06538	1.0
91.05479	24.9
93.07041	12.9
95.04968	38.4
95.08591	2.8
96.05267	0.4
97.02897	1.9
97.06542	1.1
99.04469	0.4
103.05463	1.5
105.04543	0.4
105.07031	17.8
107.04955	7.7
107.08602	2.7
109.06511	3.2
109.10164	0.8
111.04436	1.9
111.08067	2.1
113.05968	0.6
115.05441	2.4
116.06281	0.6
116.10384	0.4
117.06998	1.9
119.04978	1.0
119.08578	10.1
121.06526	2.6
121.09371	0.5
121.10132	3.3
122.03650	0.5
123.08055	0.9
128.06224	1.2
129.07010	8.7
130.95192	0.3
131.07607	0.6
131.08568	7.2
133.02840	2.2
133.06491	5.6
133.10130	11.8
135.08072	0.6
137.05977	0.8
137.09628	1.5
141.07002	0.4
142.07780	3.4
145.10107	1.2
146.97482	0.4
147.08061	3.8
147.11676	5.8
149.02405	0.6
149.09622	3.9
151.11243	0.5
154.48546	0.4
157.10135	6.2
161.05968	1.5
165.12787	0.8
169.99080	0.5
175.09738	0.7
175.11179	5.9
175.14859	0.5
178.02663	1.3
193.04948	4.5
193.08641	1.2
193.12236	8.1
193.15881	0.9
194.15343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02386	0.8
53.03939	6.1
55.01873	4.6
55.05510	9.2
56.96554	1.1
57.03426	3.6
57.07063	0.9
61.42989	0.6
63.94133	0.5
65.03942	3.2
67.05501	31.0
69.03423	4.2
69.07059	5.0
69.59990	4.3
71.04982	4.2
73.02905	0.6
77.03899	1.3
78.27497	0.5
79.05489	27.9
81.03413	100.0
81.07050	18.6
81.07528	1.3
82.03734	1.3
83.04980	6.9
83.08614	12.4
85.02920	0.7
85.06547	1.8
87.04501	0.6
88.44506	0.6
91.05475	44.2
93.07043	21.7
93.07634	1.1
95.04960	42.9
95.08603	4.5
96.05311	0.7
97.02903	1.9
97.06525	3.9
97.10162	1.1
99.08070	0.8
103.05467	4.7
104.06265	0.8
105.03394	1.7
105.04556	0.9
105.07023	42.2
105.71291	0.6
107.04948	9.7
107.08585	5.8
108.04458	0.6
109.06506	7.1
109.10148	3.0
111.04420	2.7
111.07408	0.5
111.08080	2.9
115.05447	5.8
116.06223	0.8
117.07023	2.4
118.04162	2.4
119.04919	1.2
119.08574	15.2
121.06522	3.0
121.10117	5.2
122.03651	1.5
123.04432	0.9
123.08076	2.3
123.11707	1.1
128.06212	1.6
129.06044	0.8
129.06990	13.1
129.75249	0.6
131.04929	1.4
131.08559	13.1
133.02853	10.0
133.06488	20.4
133.10123	36.5
134.07230	0.8
135.07996	1.4
135.11716	1.1
137.05989	4.4
137.09598	1.8
142.07762	4.0
143.05991	0.8
145.10124	1.5
146.97459	1.3
147.04488	0.9
147.08047	5.2
147.11671	14.9
147.12796	1.0
149.06035	1.2
149.09604	10.6
150.03128	1.8
151.03899	2.2
151.11169	1.4
157.10114	12.3
160.05049	0.6
161.02327	0.9
161.06007	12.3
165.05450	1.3
165.09122	1.8
165.12727	1.4
175.11171	17.6
175.14757	1.8
178.02618	4.8
193.03304	0.7
193.04936	17.6
193.08612	8.5
193.10382	1.2
193.12230	18.8
193.14047	0.9
193.15836	2.9
194.15323	0.6
198.47430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02366	0.5
52.45686	0.3
53.03945	4.9
54.40638	0.3
55.01874	4.2
55.05264	0.7
55.05510	8.7
56.96551	0.7
57.03439	3.2
57.07061	0.6
65.03941	3.2
67.05503	24.3
68.05831	0.4
69.03429	3.5
69.07066	3.5
70.72989	0.9
70.73377	0.8
71.01342	0.7
71.04970	1.9
73.70669	0.4
79.05489	19.6
81.03414	100.0
81.07052	14.6
82.03745	1.1
83.04982	4.8
83.08615	10.6
85.02883	0.5
85.06558	0.8
89.03988	0.5
91.04891	0.8
91.05474	22.5
93.07043	7.5
95.04964	36.1
95.08607	5.3
96.05304	0.4
97.02892	2.0
97.06527	1.2
97.10194	0.4
99.08089	0.6
103.05476	2.4
105.03374	0.7
105.04527	0.7
105.07026	22.7
106.07368	0.4
107.04955	8.6
107.08598	5.2
109.06513	4.3
109.10155	3.4
111.04407	1.9
111.08067	2.9
113.05999	0.4
115.05448	4.1
116.06216	0.7
117.07021	1.6
118.04180	1.7
119.04958	1.2
119.08571	13.7
120.08920	0.4
121.06493	2.3
121.10132	5.6
121.10931	0.6
122.03671	1.1
123.04449	1.2
123.08067	3.1
123.11689	1.2
125.09602	0.5
128.06236	1.7
129.07004	7.7
129.07899	0.6
131.04919	0.5
131.08557	7.9
132.05676	0.6
133.02856	5.8
133.05495	0.6
133.06490	11.1
133.10118	9.1
135.08006	0.5
135.11694	2.2
137.05992	3.3
137.09618	2.4
137.13225	0.4
142.07745	2.2
143.06033	0.5
145.06462	0.5
145.10141	0.8
146.97412	0.5
147.04500	0.4
147.08037	4.2
147.11676	5.8
149.02328	1.8
149.05998	0.7
149.09592	4.3
149.13266	0.7
150.03201	0.4
151.03894	0.5
151.07629	0.5
151.11194	1.2
151.14876	0.4
155.08496	0.4
157.10112	4.6
161.06024	5.9
165.05508	1.0
165.09142	0.7
165.12749	0.8
175.07628	0.5
175.11179	4.9
175.14798	3.1
178.02618	3.6
185.28537	0.4
193.04973	10.6
193.06815	0.7
193.08614	3.8
193.10321	0.6
193.12238	9.6
193.15871	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	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02376	0.6
53.03946	5.1
53.39294	0.4
55.01867	4.3
55.05261	0.8
55.05510	9.5
56.96567	1.2
57.03427	2.7
57.07063	1.9
61.11765	0.4
65.03934	2.8
67.05502	30.8
67.50275	0.4
69.03424	3.3
69.07068	4.1
71.04990	3.1
71.59592	0.7
76.67645	0.4
79.05489	22.3
81.03413	100.0
81.07050	18.8
82.03745	0.7
83.04971	6.4
83.08620	13.1
85.02904	0.9
85.06535	1.5
91.05476	25.6
92.05782	0.6
93.07042	13.6
95.04964	41.2
95.08049	0.9
95.08603	10.2
96.05298	0.7
97.02894	1.6
97.06524	2.8
97.10147	1.0
99.08098	0.7
103.05475	1.9
105.04520	0.5
105.07024	20.2
107.04947	6.5
107.08587	5.5
108.04408	0.4
109.02857	0.6
109.06514	5.2
109.10149	4.2
111.04422	2.8
111.08086	2.4
115.05465	2.6
117.07018	2.0
118.04111	0.5
119.04942	1.4
119.08575	15.9
121.06517	2.3
121.10133	4.9
122.03635	0.9
123.04432	1.4
123.08045	2.6
123.11777	0.8
128.06245	0.8
129.07007	8.9
131.08565	7.5
133.02832	5.6
133.06483	6.5
133.10120	9.8
133.11090	0.7
134.06114	0.5
135.04425	1.4
135.08086	0.9
135.11703	1.6
137.05962	2.5
137.09625	1.9
142.07816	2.9
145.10133	0.5
146.97469	1.3
147.04327	0.6
147.08041	2.8
147.11684	6.5
149.02370	0.9
149.05949	0.4
149.09608	4.1
149.13271	1.9
150.03172	0.8
151.11201	1.1
157.10098	4.6
157.11290	0.5
161.06018	2.7
165.05551	0.5
165.12773	1.9
169.99078	0.9
173.23856	0.5
175.07568	0.4
175.11166	5.8
175.14803	6.7
178.01256	0.6
178.02574	3.2
193.04950	12.8
193.08600	2.0
193.10413	0.8
193.12227	10.1
193.15855	6.7
193.17601	0.6
194.08153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03946	4.8
55.01870	2.9
55.05512	9.5
57.03440	3.3
57.07077	0.8
57.17587	0.3
59.05002	0.8
61.36320	0.3
62.31049	0.4
65.03938	2.8
67.05505	27.0
69.03431	3.4
69.06722	0.4
69.07069	5.0
71.01356	0.6
71.04996	3.5
77.03938	0.5
79.05493	20.0
80.05828	0.5
81.03417	100.0
81.07056	15.3
82.03746	0.6
83.04983	5.1
83.08620	10.0
85.02900	0.5
85.06546	1.4
87.08089	0.3
89.03864	0.4
91.05481	22.1
92.05818	0.5
93.07042	11.3
94.04163	0.3
95.04967	38.4
95.08603	7.4
95.09167	0.6
96.05280	0.6
97.02901	2.3
97.06518	1.5
97.10152	0.6
99.08140	0.6
103.05477	2.8
104.06207	0.4
105.03413	0.7
105.07030	28.6
106.07331	0.4
107.04954	7.4
107.08595	11.1
108.05727	0.5
109.06523	6.4
109.10157	5.4
111.04446	2.1
111.08080	2.2
115.05450	3.9
116.06265	0.4
117.07040	1.3
117.65228	0.4
118.04166	1.2
119.04949	1.3
119.08578	13.9
121.06512	2.6
121.10157	5.7
122.03635	0.6
123.04408	1.7
123.08084	3.5
123.11704	2.5
125.09612	0.5
128.06252	1.2
129.06999	8.2
131.04927	0.9
131.08572	8.2
132.05719	0.6
133.02858	6.1
133.06493	13.3
133.09114	0.6
133.10130	12.5
135.04451	0.5
135.08055	0.8
135.11682	5.0
137.05084	0.4
137.06007	2.4
137.09599	4.1
142.07788	2.5
143.04990	0.4
143.06026	0.5
145.10136	0.8
146.97426	0.5
147.04440	0.6
147.08026	3.9
147.11697	5.9
149.02402	0.6
149.06020	0.7
149.09630	4.7
149.13310	0.6
150.03096	0.8
150.06693	0.6
151.03914	0.7
151.11198	1.9
151.14828	0.8
157.10135	5.3
160.05141	0.4
161.06033	7.1
161.96266	0.3
165.05464	0.8
165.09140	0.8
165.12755	1.5
175.07631	0.4
175.11195	6.4
175.14845	4.6
177.09109	0.4
178.02591	3.7
178.06265	0.5
193.04970	11.3
193.08629	4.4
193.10576	0.9
193.12233	9.5
193.15894	8.3
193.17636	0.5
194.05408	0.6
194.08072	0.4
194.11760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02370	0.6
53.03945	4.2
55.01876	2.6
55.05259	0.6
55.05510	7.9
57.03438	1.9
61.81648	0.3
63.04475	0.3
65.03944	2.0
67.05503	22.3
69.03419	2.8
69.07068	2.4
70.18269	1.0
70.18663	0.6
71.01346	0.4
71.04984	1.6
77.23348	0.4
79.05492	17.4
81.03415	100.0
81.07053	12.5
82.03760	0.7
83.04981	3.7
83.08620	10.2
83.09114	0.8
85.06551	0.8
86.99538	0.4
87.57635	0.4
91.05478	18.3
93.07043	8.1
95.04967	36.5
95.08601	3.0
96.05299	0.4
97.02898	1.7
97.06530	1.3
97.10156	0.8
103.05459	1.9
105.07027	12.9
107.04954	7.3
107.08600	2.5
109.06527	3.1
109.10166	0.9
111.04421	1.7
111.08079	1.7
115.05473	2.0
117.07034	1.5
118.04194	0.6
119.04976	0.5
119.08579	8.8
121.06483	2.4
121.10165	2.2
122.03656	0.5
123.08073	0.7
128.06218	0.7
129.06996	7.3
131.08540	5.9
133.02878	1.8
133.06503	4.8
133.10132	3.5
137.06015	0.9
137.09639	0.9
142.07770	2.7
145.10115	0.6
146.97488	0.5
147.08037	3.3
147.11673	3.5
149.09607	3.1
150.03149	0.5
151.07556	0.4
151.11188	0.6
155.55113	0.4
157.10144	4.5
161.05974	1.5
165.12779	0.7
166.13216	0.4
175.11185	6.0
175.14784	0.6
178.02693	1.4
193.04968	4.1
193.08604	1.1
193.10515	0.5
193.12244	6.9
193.15915	1.2
193.17741	0.3
193.92780	0.4
198.59174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.72388	0.8
50.83176	0.7
51.57222	0.5
53.03944	3.1
55.01870	5.8
55.05504	3.3
55.89059	0.6
56.96565	1.1
57.03430	3.2
57.07082	1.2
65.03934	3.1
66.04710	1.9
67.05508	9.9
69.03419	2.5
69.07063	2.0
71.04970	1.4
71.59082	0.9
77.03904	1.4
78.04695	0.9
79.05492	39.2
80.05843	1.1
81.03410	11.8
81.07056	7.7
83.04978	1.7
83.08619	2.7
90.04690	0.9
91.05478	27.7
92.06277	4.0
93.03384	1.0
93.07049	7.1
94.04184	3.2
95.04970	14.5
95.08601	5.5
97.02810	0.7
97.06554	0.9
98.06028	0.7
102.04675	0.9
103.05464	25.8
104.05041	1.1
104.06285	4.5
105.03391	3.1
105.07028	100.0
106.06571	0.7
106.07346	2.2
107.04953	16.1
107.08588	5.1
108.05706	0.6
109.02900	1.4
109.06526	6.5
109.10160	3.4
111.04455	1.9
111.08088	1.3
115.05450	12.4
116.07870	0.7
117.07019	2.4
118.04158	22.1
118.05010	1.1
119.04956	6.0
119.08585	7.1
120.04472	1.2
120.05748	7.3
121.06503	10.6
121.10157	1.9
122.03654	4.1
122.07295	6.3
123.04436	1.7
123.08057	2.7
123.11725	1.8
124.05188	2.3
125.05988	0.7
125.70805	0.7
129.06993	1.9
131.04915	5.1
131.08588	1.6
132.05714	5.0
133.02853	11.0
133.06488	74.2
133.10126	7.0
134.07216	4.3
135.04416	9.3
135.08049	9.3
135.11682	2.4
137.05023	1.4
137.05975	24.4
137.09584	2.5
138.06305	0.9
143.06062	1.7
146.97455	3.0
147.04398	2.1
147.08067	1.8
147.11676	2.6
148.04094	0.9
148.05188	5.1
149.02345	1.8
149.04721	2.4
149.05978	4.7
149.09676	0.9
150.03123	1.4
150.05522	1.3
150.06757	25.3
151.03912	2.7
151.07507	1.3
151.11160	0.9
157.10132	1.9
158.40083	0.7
161.02385	0.8
161.06027	16.3
162.05531	1.5
163.03841	1.0
163.06247	2.9
164.07014	0.8
165.05475	1.5
165.09106	40.4
169.08739	0.7
175.07553	1.6
175.11165	2.8
175.14764	3.6
178.02605	7.1
178.06230	3.8
178.07802	1.9
193.03543	0.7
193.04971	26.8
193.08603	34.6
193.12245	5.5
193.14311	0.8
193.15874	5.8
193.17572	1.1
194.09058	1.0
194.15538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01863	0.6
55.05508	1.3
56.96562	0.5
57.03441	0.4
57.07070	0.6
59.04997	1.5
65.03933	0.6
66.04706	0.5
67.05504	1.5
68.05013	0.3
69.03418	0.9
69.07061	0.5
70.57886	0.2
71.04993	0.4
71.58189	0.3
72.93802	0.2
77.03925	1.3
79.05479	2.3
81.03416	1.6
81.07054	2.3
83.01323	0.3
83.04979	1.0
83.08614	0.5
89.03917	1.4
91.05478	3.2
93.07045	1.2
94.04166	1.9
95.04967	2.6
95.08600	0.6
97.02885	0.3
97.07638	0.2
99.08108	0.3
101.32277	0.2
103.05492	1.3
105.03389	2.0
105.07025	9.4
107.04952	0.9
107.08590	0.9
109.06501	3.1
109.10149	0.8
111.04486	0.4
115.05450	2.2
117.03381	0.9
118.04146	1.0
119.04944	0.6
119.08569	2.3
121.02863	0.2
121.06513	1.4
121.10121	0.3
122.03645	9.2
122.06822	1.3
123.04429	0.5
123.08054	1.0
123.11681	0.4
125.07025	0.2
131.04939	0.4
131.08578	0.3
133.02846	53.1
133.06488	8.1
133.10121	1.3
134.03206	1.0
134.07114	0.2
135.04372	0.3
135.08032	0.8
135.11687	0.5
137.05969	15.1
137.09590	1.0
137.10571	0.3
139.03970	0.3
143.04892	0.4
143.06084	0.3
145.06432	0.4
146.97403	0.3
147.04405	0.5
147.08047	0.9
147.11699	1.2
148.07520	0.3
148.18839	0.2
149.02353	0.5
149.05983	3.6
150.03117	6.3
151.03868	0.7
151.07538	0.4
151.09984	0.3
151.11177	0.8
160.08846	0.6
161.02328	0.8
161.05977	5.6
165.05467	5.3
165.09053	0.4
165.12738	0.3
175.03880	0.3
175.07545	0.6
175.11159	2.2
175.14783	0.3
176.60094	0.2
178.02605	30.2
179.03014	0.6
189.90521	0.3
193.04953	100.0
193.12167	3.2
193.15967	1.4
194.05348	1.8
212.29901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02395	0.4
53.03946	0.5
55.01875	0.3
57.37610	0.2
58.70571	0.3
61.71722	0.3
66.04728	0.4
68.99792	0.5
71.05315	0.8
77.03926	0.6
79.05492	0.7
81.03407	0.4
89.03915	1.0
91.05486	0.9
94.04188	1.7
95.04974	0.8
98.89101	0.3
103.05451	0.4
105.03397	1.8
105.07038	2.4
107.04958	0.4
115.05437	0.5
117.03383	0.8
118.04123	0.4
121.02827	0.3
122.03653	8.0
122.07038	0.3
133.02852	51.8
133.06470	2.1
134.03232	0.5
137.05974	13.0
147.04350	0.3
149.05968	3.0
150.03131	5.6
161.02386	0.6
161.05977	1.9
165.05452	4.2
178.02612	28.4
179.02950	0.6
193.04961	100.0
194.05222	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01859	3.5
55.05513	10.3
56.96559	3.2
57.03431	2.3
57.07066	4.1
59.04998	1.0
65.03928	2.5
67.05502	11.9
67.37561	1.0
69.03427	17.4
69.07071	13.9
69.22595	1.1
69.45456	10.5
71.04985	3.5
72.04506	4.2
78.03783	2.5
79.05489	19.7
81.03432	1.7
81.07058	15.1
83.04975	11.2
83.08613	3.5
85.06540	2.7
91.05482	27.5
93.07048	25.9
95.04980	6.5
95.08614	18.0
97.06543	6.3
97.07066	1.1
98.21469	2.4
102.03784	2.0
102.04668	1.3
103.02173	8.4
103.05460	9.6
105.07025	39.4
106.06564	10.3
107.04952	6.3
107.08594	47.0
109.06524	10.9
109.10172	6.5
111.08075	1.9
114.05566	5.2
115.05434	4.1
116.06200	1.6
116.25340	1.1
116.98612	2.0
117.07037	10.4
118.04137	2.5
119.01923	2.0
119.04978	1.5
119.08589	21.3
120.04809	5.1
120.05611	1.5
120.08118	1.4
120.08965	1.2
121.06503	14.9
121.10137	31.7
123.08054	7.7
123.11694	1.1
129.07034	5.5
130.07762	2.6
131.04906	7.9
131.06438	1.3
131.08568	36.2
132.05598	4.9
133.02869	1.7
133.06450	2.9
133.10132	45.8
135.04436	2.2
135.08055	24.9
135.09096	1.3
135.11702	8.6
136.08786	2.7
137.09595	1.4
143.08562	8.9
144.09409	2.6
145.06461	3.1
145.10126	27.3
145.11272	1.3
146.05978	5.8
147.04411	2.0
147.08060	4.2
147.11687	13.9
148.04088	1.0
148.05136	5.3
148.08818	3.3
149.05893	2.5
149.07460	3.2
149.09622	22.4
149.13261	17.5
150.10201	1.2
158.10912	16.0
160.05069	97.7
161.09598	6.4
161.13225	2.5
163.03932	2.0
163.07556	7.1
163.11154	5.2
163.14790	7.9
164.14737	1.0
167.05556	1.2
173.05969	1.7
173.09695	3.5
173.13272	45.5
176.04706	4.9
176.11980	2.5
191.03410	3.3
191.06998	17.6
191.08682	3.3
191.10626	9.8
191.14314	100.0
192.07706	15.1
192.10136	1.6
192.14693	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.05438	1.4
50.84451	1.2
53.03938	2.6
55.01849	1.2
55.05262	1.2
55.05505	8.5
56.96561	2.2
57.03424	2.5
57.07066	3.2
65.03925	4.6
67.05172	2.2
67.05501	33.9
69.03417	5.3
69.07061	10.9
69.95238	2.7
69.95656	4.8
71.04989	23.2
79.05492	21.6
81.07054	18.0
83.04958	3.0
83.08605	5.2
84.95329	1.4
85.06537	13.0
89.52175	1.5
91.05473	31.7
93.07044	21.7
94.03652	1.4
95.04971	20.4
95.08602	19.9
97.06520	9.5
103.05470	8.0
105.07026	48.4
107.04935	4.5
107.07864	3.0
107.08589	58.4
109.06514	27.1
109.10151	100.0
111.08059	3.6
115.05438	3.6
116.06244	2.7
116.40052	1.4
117.07016	11.4
118.04165	2.5
118.32827	1.4
119.04884	2.3
119.08575	18.0
121.06499	9.4
121.10135	42.3
123.08057	17.4
129.06998	5.4
130.07736	2.2
131.04953	3.9
131.08565	60.1
133.06494	4.7
133.10124	29.7
135.04405	22.6
135.08046	86.0
135.11690	4.1
136.08334	2.3
140.23175	1.6
143.08548	7.9
144.09314	2.2
145.10118	16.8
147.08018	4.6
147.11679	14.7
148.05179	4.3
148.08765	4.5
149.08592	1.9
149.09633	16.2
149.13269	10.7
150.10373	5.2
158.10905	12.4
160.05077	5.1
161.09619	5.9
163.07518	4.6
163.11215	4.6
163.14758	3.0
173.13258	54.7
176.04716	1.7
176.11963	4.0
191.07022	6.5
191.10733	9.2
191.14301	91.9
192.14583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	1.7
55.01860	3.3
55.05508	10.4
55.07386	1.1
56.96545	1.6
57.03419	3.9
57.07067	2.3
59.04982	2.7
65.03938	2.0
66.83323	1.4
67.05502	11.3
69.03441	7.4
69.07069	15.0
70.15826	6.1
71.04979	3.9
72.25476	1.4
79.05483	18.4
81.03416	1.4
81.07051	18.3
83.04955	5.4
83.08603	8.6
84.57219	1.2
85.06523	3.3
91.04893	1.6
91.05471	28.5
93.07041	28.8
95.04964	9.7
95.08608	17.3
97.06522	10.4
103.05472	14.8
105.07027	56.2
106.06523	2.2
107.04929	5.0
107.08586	38.6
109.06519	10.8
109.10148	15.4
111.08077	2.8
115.05439	4.9
116.06207	1.4
117.07014	11.4
118.04158	3.3
118.06519	1.2
119.04944	1.5
119.08576	22.3
120.05694	1.3
121.06502	12.9
121.10134	24.4
123.08066	11.6
123.11646	1.9
129.07001	6.3
130.04097	2.5
130.07796	2.8
131.04892	8.8
131.07585	2.8
131.08568	52.6
132.05635	2.6
132.08899	1.1
133.02811	1.8
133.06502	2.5
133.10126	100.0
134.10463	1.4
135.04420	4.3
135.05421	1.2
135.08047	23.2
135.11697	9.2
143.08545	9.6
144.09323	3.6
145.06473	3.2
145.10112	26.8
147.04367	1.2
147.08031	3.2
147.11682	17.0
148.05156	4.9
148.08769	1.7
149.09608	12.2
149.13252	17.6
150.10321	1.4
155.08511	1.2
158.10910	17.9
159.07961	3.0
160.05058	27.8
161.09569	2.7
163.03850	1.9
163.07579	11.0
163.11151	9.8
163.14810	5.4
173.09576	5.4
173.13260	58.4
174.13531	1.5
176.04619	2.8
176.11940	1.5
191.03448	3.9
191.06979	10.3
191.08676	1.9
191.10652	12.1
191.14305	78.5
191.17996	2.7
192.07678	4.3
192.14575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12171	0.9
53.03936	1.2
55.01856	1.8
55.05504	6.1
57.02856	0.8
57.03421	1.7
57.07053	1.6
66.49754	0.9
67.05511	5.6
69.03430	13.1
69.07072	9.0
69.37431	9.0
75.29302	0.8
79.05494	7.6
81.07050	6.4
83.04983	10.2
83.08614	2.2
85.06533	1.6
91.05476	9.5
93.07039	13.4
95.04970	4.7
95.08606	9.6
97.06522	4.5
103.05479	5.6
105.07027	14.4
107.04940	2.7
107.08590	29.4
108.80654	0.8
109.06495	3.9
109.10142	4.7
111.08092	1.0
115.05447	1.0
117.06981	4.8
118.04138	1.8
119.06067	0.8
119.08577	17.0
121.06513	7.1
121.10142	19.9
122.07158	1.3
123.08083	2.6
123.11658	1.1
129.06992	1.8
130.07776	1.5
131.04918	2.5
131.08565	20.3
133.02858	1.0
133.06468	1.4
133.10130	20.1
135.04425	1.7
135.07121	1.1
135.08057	13.6
135.11679	7.1
136.08762	1.0
137.09631	1.0
143.08527	5.4
144.09334	2.1
145.10101	11.4
147.04387	0.9
147.08034	1.7
147.11673	7.3
148.05223	2.5
148.08810	1.9
149.09619	8.2
149.13245	8.2
158.10909	9.7
159.08075	1.5
160.05063	9.9
161.09619	4.9
163.07558	3.5
163.11197	1.2
163.14806	2.9
173.09657	0.9
173.13268	23.6
176.04619	2.0
176.11948	3.2
191.03365	1.4
191.06966	5.2
191.10677	3.9
191.14307	100.0
192.07703	0.9
192.14703	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.11871	0.9
52.96847	0.9
53.03936	2.0
55.01843	1.5
55.05496	7.3
57.03422	2.2
57.07061	2.0
57.37279	0.9
67.05502	11.4
67.45700	0.9
69.03425	10.3
69.07066	15.2
70.13455	5.4
71.04997	8.2
79.05489	12.7
81.07055	14.8
83.04988	7.5
83.08611	5.1
85.06531	3.5
91.05476	18.4
93.07034	22.6
95.04966	10.5
95.08602	17.8
97.06525	8.7
100.20258	0.9
102.04684	1.2
103.05457	18.3
105.03391	1.7
105.07028	26.0
107.04935	3.8
107.08587	39.8
109.06519	12.3
109.10157	18.6
111.08085	2.6
115.05428	3.5
117.07014	7.8
118.04174	4.8
119.04934	1.8
119.08569	19.6
121.06506	11.7
121.10138	32.2
123.08053	10.4
128.06209	1.0
129.06958	4.8
130.07779	2.0
131.04933	7.5
131.08565	34.8
133.02846	3.1
133.06476	3.8
133.09111	1.9
133.10121	37.9
135.08047	34.0
135.11656	9.7
143.08572	9.3
144.09332	3.4
145.10109	19.0
146.03625	1.1
147.04567	1.1
147.08018	3.4
147.11691	13.7
148.05180	8.0
148.08812	4.2
149.09636	17.5
149.13251	16.2
150.10378	1.8
158.10910	15.0
160.05069	15.9
161.09602	4.4
163.07512	9.4
163.11159	3.7
163.14835	6.5
171.11708	1.4
173.13258	46.2
176.04694	2.7
176.11942	2.8
191.07080	9.0
191.14296	100.0
192.07626	1.8
192.14641	2.8
202.16588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01883	1.0
55.05518	3.5
57.03436	1.1
57.04412	0.5
57.07082	0.8
65.03940	0.8
65.10710	0.6
67.05502	4.3
69.03432	4.5
69.07069	5.0
69.80855	1.4
69.81266	2.0
71.04993	2.1
79.05493	14.1
81.03410	0.9
81.07048	5.0
83.04979	3.3
83.08605	1.6
85.06548	1.5
87.00832	1.8
91.05481	9.2
92.04977	0.7
92.05802	0.6
93.07040	6.6
95.04975	4.0
95.08600	5.8
97.06542	2.8
98.04100	1.4
98.21442	0.7
99.48823	0.5
103.05458	2.5
105.03419	0.7
105.07030	12.0
106.06551	52.1
107.04941	2.8
107.08591	15.6
108.08163	0.6
109.06523	4.5
109.10165	6.4
111.08102	0.7
115.05485	1.6
117.07018	3.7
118.04192	0.8
118.26851	0.6
119.04911	0.6
119.08587	7.6
120.08118	1.3
121.06505	4.8
121.10143	10.1
123.04485	0.6
123.08084	2.7
128.06273	0.6
129.07007	2.5
130.07799	0.6
131.04907	2.2
131.08569	14.6
132.04446	3.1
132.05592	4.8
133.06424	0.9
133.10121	14.2
135.04430	1.1
135.05525	0.7
135.08047	10.8
135.11661	3.1
143.08528	3.7
144.02559	0.7
144.09293	1.7
145.06480	1.3
145.07549	0.7
145.10120	6.8
146.06013	0.8
147.08018	0.9
147.11685	4.0
148.03712	5.6
148.04974	3.4
148.08765	1.2
149.09625	5.6
149.13258	5.3
150.96957	0.7
154.44017	0.6
155.08647	0.6
158.10907	3.9
159.04350	0.6
159.08168	0.8
160.05060	100.0
161.09612	1.5
163.04018	0.6
163.07541	2.1
163.11166	1.7
163.14784	2.6
171.11671	0.6
173.09694	0.8
173.13251	16.8
176.04680	5.3
176.11923	1.0
179.00255	0.6
191.03391	1.7
191.06993	10.6
191.08676	0.5
191.10759	2.7
191.14304	30.6
192.02696	10.6
192.06277	1.0
192.07700	12.9
195.68111	0.5
214.14368	0.5
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
53.03938	2.5
55.01854	4.2
55.05509	18.1
56.96561	8.5
57.03426	5.0
57.07071	6.8
59.04993	1.7
63.33051	1.2
65.03923	2.6
66.27930	1.6
67.05222	1.3
67.05504	13.5
69.03427	22.2
69.06723	1.8
69.07070	17.6
70.06555	1.3
71.04980	6.1
71.58626	1.5
72.08167	1.7
72.93771	1.8
73.02904	4.0
79.05495	25.2
81.03406	6.1
81.07060	22.0
83.04990	13.2
83.08612	4.3
84.08124	1.4
85.02892	1.8
85.06530	6.3
90.94823	1.7
91.05479	43.6
92.05817	1.6
93.07047	40.1
94.06568	1.5
95.04964	13.1
95.08607	19.9
96.06816	1.5
97.02905	4.4
97.06526	7.2
98.97573	3.7
103.05465	12.3
105.07030	59.6
106.06581	9.6
107.04964	11.6
107.08596	66.4
109.06527	16.0
109.07652	3.0
109.10143	11.3
110.07152	1.6
111.08054	5.1
115.05438	4.9
116.06208	3.9
116.98621	3.8
117.03410	1.7
117.07010	13.8
118.04133	3.6
118.06573	2.3
119.04956	2.3
119.06055	1.5
119.08585	32.5
121.02785	1.4
121.06509	34.4
121.10143	36.0
122.07218	1.8
123.04425	1.5
123.08061	8.4
128.06166	2.0
128.98589	3.3
129.06978	5.9
130.07777	3.3
131.04961	11.2
131.07584	2.8
131.08566	55.2
132.95850	1.8
133.02850	1.8
133.06465	4.0
133.10127	56.8
134.99675	3.2
135.04411	5.8
135.08063	27.7
135.09106	2.2
135.11716	9.4
136.08745	4.1
137.03584	5.6
137.09622	3.4
143.08545	10.6
144.09317	3.8
145.06523	7.7
145.10120	34.0
146.06007	4.4
146.99651	4.5
147.08020	5.2
147.11700	19.3
148.03809	2.1
148.05168	3.5
148.07617	1.7
148.08783	3.8
148.54431	1.6
149.02339	2.3
149.05940	4.1
149.09612	20.5
149.13254	17.2
149.96095	1.5
150.10315	2.6
150.59984	1.5
150.96878	4.9
158.10907	17.0
160.05074	4.9
161.09648	5.2
161.13225	4.1
163.03845	3.9
163.07520	8.6
163.11192	6.2
163.14774	9.8
165.00671	1.7
167.05521	2.6
171.11707	1.8
173.06000	8.6
173.09625	2.9
173.13269	56.6
176.04677	5.2
176.11945	3.2
191.03285	8.4
191.07021	16.6
191.08672	2.4
191.10677	8.9
191.14304	100.0
192.02696	2.0
192.06512	2.6
192.10193	3.4
197.01283	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	191.1066
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.02387	0.3
53.03942	1.2
53.74757	0.1
55.01872	0.3
57.07069	0.2
60.36286	0.1
65.03941	0.8
67.01884	0.1
69.07086	0.1
69.74036	0.4
69.74464	0.3
70.15247	0.1
77.03902	0.7
77.84474	0.1
79.05492	10.3
79.70092	0.1
80.05812	0.1
81.03411	0.3
89.03929	0.4
91.04900	0.1
91.05479	2.1
93.03413	1.0
93.07039	0.3
95.04967	3.4
97.11633	0.1
103.04008	0.1
103.05479	0.7
105.04517	0.5
105.07027	0.4
107.04959	5.1
107.08619	0.2
117.03381	0.3
117.07027	0.1
119.08547	0.1
120.05685	0.1
121.06503	0.1
121.10177	0.1
123.04417	1.1
131.04982	0.1
133.06491	0.5
135.04416	100.0
136.04745	2.4
149.05959	0.9
153.05496	0.6
160.04985	0.1
161.05969	0.3
163.07661	0.1
173.09669	0.2
176.04698	0.4
176.07019	0.1
184.45078	0.1
191.07120	0.9
191.10669	21.3
192.11009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.02389	0.4
53.03949	2.3
55.01871	0.5
55.05523	0.5
56.96569	16.8
57.07074	0.8
62.07936	0.3
65.03941	0.8
67.05508	1.0
68.99797	0.3
69.03421	0.4
69.07068	0.8
71.04992	0.3
71.59741	0.4
71.95267	0.4
74.22099	0.3
77.03927	0.7
79.05496	15.1
81.03416	1.2
81.07063	1.0
89.03946	0.8
91.05485	4.3
93.03432	0.4
93.07057	1.3
95.04974	5.9
95.08618	0.7
97.06534	0.3
103.05459	1.9
105.04528	0.7
105.07023	1.8
107.04958	42.5
107.08584	1.3
108.05286	2.7
109.02293	0.3
109.06541	0.4
109.10146	0.6
117.03386	0.5
117.07010	0.9
117.33015	0.3
117.63681	0.3
118.04179	0.3
119.08603	0.6
121.06496	0.8
121.10155	0.8
122.03107	0.4
123.04417	1.1
123.08122	0.4
130.04176	0.5
130.07852	0.3
131.04927	1.1
131.08563	1.2
133.02780	0.3
133.06473	0.9
133.10158	0.4
135.04420	100.0
135.07928	1.5
135.11655	0.6
136.04778	1.9
145.06543	0.4
145.10129	2.2
147.08023	0.5
147.11691	0.5
148.05183	0.7
149.05975	2.1
149.09695	0.4
151.04129	0.3
153.05475	1.2
155.08595	0.4
157.01736	0.5
160.05045	2.0
163.07552	1.1
163.11171	0.6
169.01720	0.8
173.09628	1.3
173.13263	0.4
176.04689	0.7
176.06963	0.4
179.07274	0.5
183.03355	0.3
187.02817	0.6
188.07739	0.5
190.58173	0.3
191.03413	0.8
191.07030	1.2
191.08977	0.5
191.10666	15.1
191.14323	2.9
192.06432	0.4
192.11118	0.5
192.13922	0.3
192.17572	0.3
195.03319	0.7
198.85411	0.3
213.04201	0.4
213.07837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.02379	0.2
53.03949	1.4
54.96547	0.1
55.01880	0.3
57.07074	0.1
61.33539	0.1
63.96411	0.1
65.03944	0.7
69.07081	0.2
77.03905	0.7
79.05492	9.9
80.05862	0.1
81.03420	0.2
89.03915	0.3
91.05481	2.5
93.03406	0.7
93.07004	0.2
95.04966	3.1
103.05457	0.9
105.04524	0.6
105.07037	0.3
107.04952	5.5
117.03373	0.3
121.06515	0.2
122.55164	0.1
123.04430	0.9
131.04953	0.3
131.08540	0.1
133.06511	0.4
135.04411	100.0
136.04753	2.3
148.05157	0.1
149.05963	0.7
153.05493	0.7
161.05949	0.3
173.09671	0.3
176.04706	0.4
176.06998	0.2
191.07079	1.2
191.10666	19.7
192.10989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.77855	0.1
53.03939	1.5
55.01882	0.3
56.96551	0.2
57.07064	0.2
65.03940	0.7
67.05501	0.4
69.07059	0.2
70.61964	0.4
77.03941	0.6
79.05489	9.8
81.03421	0.3
81.07042	0.2
89.03919	0.4
91.05479	2.1
93.03387	0.3
93.07052	0.4
95.04963	3.0
95.08579	0.2
103.05480	0.6
105.03426	0.2
105.04533	0.6
105.07025	0.6
107.04948	5.4
107.08573	0.3
109.10201	0.2
117.03382	0.3
117.07052	0.2
119.08563	0.2
121.06502	0.3
121.10157	0.3
123.04449	0.9
131.04947	0.2
131.08531	0.3
133.06480	0.4
133.10057	0.2
135.04405	100.0
136.04732	2.0
141.02072	0.2
145.10117	0.4
148.05235	0.2
149.05940	1.0
149.09631	0.2
153.05475	0.7
160.05107	0.7
163.07587	0.3
163.11119	0.2
173.09634	0.4
173.13304	0.3
190.21539	0.2
191.07141	0.7
191.10657	21.8
191.14334	0.6
192.11070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.02369	0.2
53.03939	1.6
54.09290	0.1
55.01873	0.4
55.05510	0.5
55.26939	0.1
56.96559	0.4
57.07079	0.3
60.29515	0.1
65.03928	0.8
67.05519	0.8
68.99774	0.2
69.03428	0.4
69.07066	0.7
69.83190	0.8
77.03938	0.5
77.27370	0.1
79.05492	11.7
80.15089	0.1
81.03426	0.4
81.07028	1.0
83.04964	0.4
83.08604	0.2
89.03922	0.5
91.05476	3.4
93.03400	0.7
93.07040	1.8
94.54906	0.1
95.04966	3.8
95.08598	0.8
97.06527	0.3
102.04639	0.1
103.05459	1.7
105.03408	0.3
105.04510	0.7
105.07031	1.5
107.04951	6.1
107.08591	1.9
109.06494	0.2
109.10154	0.7
115.05447	0.5
116.06264	0.2
117.03371	0.5
117.06977	0.9
118.04160	0.6
119.04980	0.3
119.08574	0.7
120.05742	0.3
121.06517	0.9
121.10134	1.4
123.04426	1.0
123.08066	0.2
123.11738	0.2
129.07022	0.4
130.07823	0.2
131.04929	1.2
131.08519	1.5
132.05710	0.2
133.02885	0.4
133.06476	0.6
133.10127	0.7
135.04411	100.0
135.07904	1.6
135.11662	1.0
136.04741	1.8
143.08562	0.2
145.06474	0.5
145.10115	1.5
147.08057	0.7
147.11661	0.4
148.05174	0.8
149.05986	1.1
149.09674	0.4
149.13261	0.5
153.05469	0.8
158.07314	0.2
158.10866	0.2
160.05072	1.5
161.05994	0.4
163.03925	0.2
163.07565	1.1
163.11168	0.9
163.14728	0.2
173.06012	0.2
173.09650	0.9
173.13275	0.8
176.04732	0.5
176.08389	0.3
191.03331	0.4
191.07130	2.2
191.08902	0.8
191.10661	22.9
191.14279	2.8
191.17946	0.4
192.06448	0.2
192.10959	0.6
212.58907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.02388	0.4
51.82173	0.2
52.52684	0.2
53.03946	1.9
55.01870	0.9
55.05504	0.6
55.28647	0.2
56.96563	0.7
57.03440	0.2
57.07079	0.7
65.03953	1.3
67.05511	1.9
68.99784	0.5
69.03439	1.0
69.07067	0.9
71.05016	0.3
73.35251	0.3
77.03943	0.9
79.05493	14.9
81.03415	1.1
81.07043	1.9
83.01331	0.3
83.04977	0.5
83.08614	0.3
89.03880	0.6
91.05479	5.3
91.06012	0.4
93.03393	2.6
93.07040	2.9
94.07294	0.2
95.04969	4.9
95.08600	1.0
97.06512	0.7
98.21484	0.7
100.68387	0.2
103.05461	3.7
105.03397	0.3
105.04520	0.8
105.07020	2.4
107.04948	7.8
107.08599	2.1
107.89854	0.2
109.06497	1.0
109.10164	1.0
115.05446	0.6
116.06279	0.3
117.03410	0.4
117.07023	2.5
118.04173	0.5
119.04942	0.4
119.08571	1.5
120.05721	0.4
121.02853	0.2
121.06497	1.5
121.10149	2.3
123.04434	1.5
123.08082	0.4
129.07001	1.0
130.04163	0.3
130.07785	0.7
131.04944	2.2
131.08572	3.5
133.02791	0.4
133.06461	0.7
133.10126	0.7
135.04413	100.0
135.07985	2.5
135.11678	1.5
136.04755	2.1
143.08528	0.5
145.06480	1.0
145.10118	3.6
147.08009	1.1
147.11687	0.4
148.05249	1.3
148.08710	0.3
149.06017	1.3
149.09599	1.1
149.13254	0.3
153.05481	1.1
155.08574	0.6
158.10921	0.4
160.05037	2.1
161.05975	0.8
163.03917	1.2
163.07561	1.5
163.11177	1.6
173.09621	2.6
173.13266	0.9
175.07477	0.3
176.04688	1.1
176.07054	0.3
191.03456	1.8
191.07050	4.7
191.10663	25.4
191.14256	3.6
191.17908	0.5
192.11031	0.4
192.13727	0.3
203.89400	0.3
209.04848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.2
53.03946	1.6
55.01873	0.4
55.05508	0.3
56.96567	0.3
57.07069	0.2
65.03939	0.5
67.05506	0.5
68.99772	0.3
69.07064	0.3
71.04869	0.4
77.03926	0.4
77.59274	0.2
79.05494	10.0
80.05844	0.2
81.03416	0.4
81.07067	0.4
89.03915	0.5
90.44211	0.2
91.05493	2.0
93.07036	0.8
95.04974	3.5
95.08614	0.3
97.06521	0.2
97.10184	0.5
97.90945	0.2
101.60124	0.2
103.05477	0.7
105.04527	0.6
105.07028	0.8
107.04963	5.3
107.08595	0.7
109.06503	0.3
109.10162	0.3
113.41660	0.2
115.05450	0.3
117.03326	0.3
117.07024	0.4
121.06493	0.5
121.10121	0.6
123.04408	0.9
128.75322	0.2
129.07027	0.3
131.04935	0.6
131.08562	0.6
133.02870	0.2
133.06520	0.4
133.10143	0.4
135.04417	100.0
135.11652	0.4
136.04744	2.0
145.06459	0.2
145.10118	0.6
147.08035	0.3
147.11609	0.2
148.05215	0.4
149.05971	1.1
153.05472	0.8
155.08614	0.2
160.05057	0.9
163.07521	0.6
163.11241	0.4
173.09628	0.7
173.13387	0.4
176.04610	0.3
178.80231	0.2
191.07112	1.0
191.10675	22.3
191.14227	1.3
192.10899	0.6
193.61142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.02382	0.2
53.03952	1.3
55.01868	0.4
55.05515	0.3
57.07081	0.4
61.03189	0.2
65.03953	0.5
67.05507	0.6
69.07066	0.4
69.90007	0.9
77.03569	0.2
77.03947	0.6
78.00188	0.3
79.05498	10.2
80.05855	0.2
81.03400	0.2
81.07065	0.7
89.03928	0.5
91.05489	2.6
93.07050	1.0
95.04973	3.8
95.08625	0.6
98.20809	0.2
102.04704	0.2
103.05457	1.2
105.04544	0.5
105.07010	0.8
107.04959	5.8
107.08607	1.1
109.06538	0.2
109.10191	0.3
115.05511	0.2
117.03381	0.4
117.07036	0.7
118.04159	0.4
119.04974	0.2
119.08595	0.5
120.05685	0.2
121.06538	0.5
121.10166	0.6
121.19918	0.2
123.04428	0.9
123.76035	0.2
129.07025	0.2
130.04106	0.2
130.07771	0.2
131.04941	0.8
131.08578	0.9
133.06490	0.5
133.10115	0.5
133.93336	0.2
135.04420	100.0
135.11722	0.5
136.04773	1.9
145.06520	0.4
145.10101	0.8
147.08086	0.2
147.11642	0.3
148.05197	0.6
149.06015	1.2
149.09604	0.2
153.05473	0.8
160.05112	1.1
161.06018	0.3
163.07524	0.5
163.11227	0.4
173.09674	0.8
173.13274	0.5
176.04694	0.4
176.07053	0.3
176.08412	0.2
191.07088	1.4
191.10678	21.9
191.14220	1.3
191.17906	0.3
192.11006	0.7
196.34238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Precocene I
Peak:m/z	Relative Intensity
51.02381	0.2
53.03946	1.7
55.01873	0.6
55.05512	0.9
56.43145	0.3
56.96562	1.1
57.03440	0.3
57.07075	0.7
65.03940	1.0
66.17858	0.2
67.05505	1.5
69.03427	0.8
69.07065	1.1
70.19902	1.3
77.03938	0.8
79.05490	11.2
81.03416	0.8
81.07064	2.0
83.04967	0.3
83.08619	0.4
89.03921	0.3
91.05479	5.1
93.03414	0.5
93.07037	3.5
95.04964	4.5
95.08646	1.5
97.06530	0.3
98.21350	0.3
102.04660	0.3
103.05464	3.1
105.03403	0.5
105.04504	0.6
105.07024	3.0
106.06525	1.4
107.04951	6.3
107.08595	3.5
109.02878	0.3
109.06531	0.9
109.10157	1.3
111.04427	0.6
111.76275	0.3
115.05440	0.7
116.18771	0.3
117.03398	0.3
117.07009	1.8
118.04179	1.1
119.04966	0.6
119.08563	1.2
120.05752	0.4
121.06496	1.9
121.10147	2.9
123.04430	1.3
123.08022	0.4
125.37274	0.2
129.07021	0.8
130.04239	0.3
130.07779	0.9
131.04935	1.9
131.08556	2.7
132.04578	0.3
133.02834	0.3
133.06482	0.7
133.10104	1.2
134.06010	0.3
135.04413	100.0
135.07990	2.6
135.11682	1.8
136.04730	2.0
143.08554	0.4
145.06482	0.4
145.10101	3.4
146.03571	0.4
147.04393	0.5
147.08080	1.2
147.11653	0.6
148.05200	1.6
149.01196	0.4
149.06012	1.8
149.07051	0.5
149.09642	1.0
149.13342	0.6
153.05463	0.7
155.08565	0.5
158.10918	0.4
160.05086	3.2
161.05971	0.8
161.09578	0.3
163.07561	2.6
163.11200	2.3
163.14775	0.4
173.09618	2.6
173.13301	1.4
176.04695	1.3
176.07027	0.3
176.08350	1.0
191.03386	0.9
191.07085	2.9
191.10664	28.7
191.14282	4.6
191.18005	0.7
192.06316	0.4
192.07852	0.5
192.10919	0.9
192.43109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03944	0.9
55.01859	2.0
55.05504	3.6
56.96564	0.5
57.07068	1.0
65.03926	1.0
67.01818	0.5
67.05502	2.8
68.99745	0.6
69.03090	0.5
69.03429	5.9
69.07062	2.8
69.60560	3.3
71.04986	0.7
72.49562	0.5
73.17382	0.5
79.05071	0.7
79.05495	8.6
81.03398	0.9
81.07058	2.4
83.01334	0.7
83.04984	10.1
83.08629	0.7
83.91032	0.5
85.06569	0.5
91.05480	24.8
93.07043	8.4
95.04976	2.6
95.08616	3.2
97.06525	1.2
103.05457	5.3
104.06264	0.7
105.07033	9.8
107.04948	5.9
107.08591	16.0
109.06506	2.8
109.10148	1.9
115.05453	8.8
116.06217	0.9
117.07018	18.1
118.04144	1.3
119.04939	0.8
119.05940	0.5
119.08575	16.4
121.06493	7.3
121.10150	5.9
123.04395	0.6
123.08060	1.1
128.06227	1.5
129.07001	2.3
130.04085	0.6
130.07780	1.2
131.04924	4.9
131.08574	8.8
132.05711	13.7
133.02835	0.6
133.06474	0.9
133.10126	5.7
135.04442	3.5
135.08055	18.4
135.11711	2.3
143.08527	1.6
145.06483	9.0
145.10124	6.2
146.99704	0.5
147.04437	0.7
147.08066	4.7
147.11629	2.9
148.03804	0.7
148.05177	3.2
149.05951	4.3
149.08508	0.4
149.09630	2.7
149.13239	2.3
155.08522	0.6
158.07289	0.5
158.10925	2.6
158.38936	0.4
159.08083	0.8
160.05058	4.8
161.09590	1.6
163.03914	1.3
163.07541	11.5
163.11214	1.9
163.14818	0.6
167.77872	0.5
171.11691	0.5
173.05946	1.5
173.09625	2.0
173.13252	6.5
176.04678	1.4
176.11909	0.8
191.07021	100.0
191.14299	27.5
191.17946	1.0
192.02692	0.5
192.07428	1.9
192.47932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0701
Annotation	Coixinden A
Peak:m/z	Relative Intensity
51.02386	0.6
53.00304	0.9
53.03948	1.9
53.13203	0.6
55.01866	1.6
56.96569	1.8
65.03938	28.4
66.04694	0.6
67.01860	4.5
67.05505	1.3
69.03421	3.3
70.33430	2.1
71.04997	0.7
72.27626	0.5
79.05489	10.1
80.06271	1.7
80.15551	0.5
81.03439	0.7
81.07050	0.9
83.01344	2.9
85.54980	0.6
87.52608	0.6
91.05481	17.1
91.06013	1.3
91.12332	0.7
92.02610	3.1
92.05743	0.7
92.06271	7.6
93.03404	83.1
93.07042	2.3
94.04186	1.6
95.01308	1.6
95.04953	4.8
95.08632	1.2
97.02918	1.1
98.38687	0.7
102.04704	2.3
103.05466	69.2
104.05732	0.8
105.03395	3.8
105.07033	11.9
105.07709	0.5
107.04947	4.0
107.08578	3.6
107.20046	0.5
108.05731	3.6
109.06519	1.4
115.05461	5.9
115.75914	0.6
117.07030	6.4
118.04146	0.9
119.04980	3.7
119.08549	1.1
120.05732	12.8
121.06529	1.2
121.10141	1.1
121.50856	0.8
123.08028	0.6
129.07227	0.6
130.04161	1.1
130.07803	0.9
131.04926	16.1
131.08586	1.1
133.06488	6.9
135.04422	10.4
135.08047	8.3
135.11629	0.8
145.06483	4.1
145.10109	1.7
147.04399	5.6
148.05205	14.5
149.05948	1.1
157.05180	2.2
159.04385	1.2
160.05017	1.4
161.05983	33.7
162.06554	0.8
163.07530	14.1
173.09605	1.3
173.13231	1.2
175.03926	0.9
176.04686	38.1
191.07028	100.0
191.14214	3.1
192.07388	2.5
194.05626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99071	1.1
51.46701	0.4
53.03936	0.9
55.01867	0.6
55.05512	0.9
56.96555	1.3
57.07075	31.6
59.99105	6.1
62.99070	0.6
67.05489	2.0
70.56209	1.5
75.89190	0.6
78.00151	50.6
79.05494	6.1
81.03419	0.9
81.07064	1.1
84.08141	0.7
86.09214	0.9
86.09705	11.2
88.02228	0.9
91.05474	3.8
92.01694	1.2
92.05814	0.5
93.07030	1.6
95.04958	2.3
95.08597	1.0
100.82970	0.5
103.05455	1.5
105.07045	2.2
106.07374	1.4
107.04936	5.5
107.08619	0.9
109.06462	0.6
109.10168	0.7
116.05270	0.9
117.06975	1.7
118.04159	0.6
119.08571	0.9
120.08921	0.7
121.06499	1.0
121.10134	1.0
123.04480	0.7
131.04903	1.5
131.08537	1.7
133.10146	0.8
134.06351	56.7
135.04416	43.6
135.08014	1.4
145.06500	0.5
145.10107	1.2
146.06021	2.2
147.04442	1.0
147.08054	1.1
148.04909	0.9
148.07829	3.2
148.12086	0.7
149.02283	0.6
149.05980	0.6
155.08574	0.7
161.09618	0.5
162.05486	0.5
163.07509	1.5
163.11176	1.0
173.09631	2.3
174.05542	2.5
175.06190	1.1
176.04675	0.6
177.12988	0.5
190.04953	1.3
190.08679	7.4
190.12598	100.0
191.07091	2.3
191.08928	0.5
191.10667	11.0
191.12794	1.3
191.14339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03936	2.3
54.68800	1.9
55.01864	1.8
55.05494	8.4
57.07059	2.2
62.09156	1.7
63.75758	1.6
64.05650	1.8
65.03934	2.4
67.05175	2.0
67.05504	26.8
69.03410	2.5
69.07070	12.5
70.82556	3.8
70.82953	3.0
79.05495	35.1
81.06582	2.4
81.07055	39.9
83.08614	2.8
89.14262	1.6
91.05479	62.3
93.07043	39.2
95.04933	3.1
95.08604	49.2
105.07030	59.0
107.08589	38.4
109.10152	11.5
115.05415	3.3
117.07002	6.0
119.08577	43.2
121.09313	3.1
121.10145	39.2
123.11679	2.0
128.06236	4.1
129.07001	2.3
131.08563	5.6
133.06534	2.2
133.10127	54.4
135.11684	2.3
141.07016	2.5
143.08540	4.7
145.10120	7.7
146.06018	3.5
147.04384	7.6
147.08046	9.8
147.11684	31.1
149.02307	3.0
156.09319	7.9
161.05920	2.7
161.09601	3.5
161.13257	12.1
171.07994	3.8
171.11659	8.0
174.10344	2.2
189.05374	2.1
189.09111	13.5
189.12659	12.6
189.16380	100.0
190.05139	2.1
190.08554	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61893	1.4
54.41718	1.5
55.05507	2.4
59.19608	1.4
59.76026	1.3
64.39411	1.6
67.53953	1.6
69.03426	5.4
70.22334	7.9
77.28654	1.4
79.05493	3.4
81.07047	2.8
85.02894	1.8
85.04803	1.9
91.05476	10.5
93.07023	1.7
105.06381	2.5
105.07024	23.5
107.08607	3.0
115.05426	3.4
117.06997	9.3
119.08576	29.8
121.10130	2.6
128.06230	6.1
129.07005	8.9
130.07761	7.3
131.08549	11.7
133.06425	2.2
133.10136	8.5
139.78484	1.7
141.06990	17.9
142.07648	1.6
143.08580	10.2
144.09335	3.7
145.10115	22.7
146.10822	2.9
147.08046	8.8
147.11700	20.7
155.08556	4.5
156.09346	82.1
157.09633	2.2
158.07372	1.6
159.08023	8.6
159.11702	22.3
160.08772	2.2
161.06029	2.9
161.09624	3.4
161.13258	3.6
171.11694	90.8
172.12051	3.9
174.06767	8.4
174.10426	11.4
182.24475	1.7
189.09148	11.5
189.12744	100.0
189.16371	3.9
190.08673	2.1
190.13046	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21317	1.8
58.98524	1.9
62.29950	1.5
69.03420	5.2
70.91033	3.6
91.05484	10.5
103.05436	2.0
105.07021	14.0
107.08548	2.8
111.52522	1.9
115.05474	3.0
117.07002	6.7
119.08572	27.9
128.06216	5.7
129.06961	3.8
130.07738	6.7
131.08583	8.5
133.06421	3.0
133.10112	6.1
141.06982	19.6
143.08571	9.0
144.09303	5.2
145.06551	2.6
145.10115	23.9
146.10864	2.4
147.08014	11.8
147.11687	19.4
155.08525	6.4
156.09343	90.9
157.09718	2.6
157.59297	1.7
159.08086	8.2
159.11687	21.4
160.08754	2.5
161.09636	3.0
161.13203	2.8
170.04382	1.8
171.11685	89.9
172.12016	2.6
174.10364	12.0
189.09131	3.3
189.12726	100.0
190.12985	4.5
195.65054	1.7
197.59628	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.0
64.83021	2.3
69.03433	10.0
70.71951	3.5
70.72290	4.5
79.05482	2.7
81.07060	3.7
83.04965	2.0
91.05492	12.0
93.07070	4.8
95.04998	2.3
98.71739	1.9
105.07043	22.1
107.08553	2.2
110.83849	1.8
115.05472	3.0
117.07013	4.7
119.08579	25.6
128.06174	4.8
129.06973	7.2
130.07765	6.5
131.08565	7.8
133.06458	3.1
133.10120	7.7
141.06975	18.8
143.08595	10.1
144.09340	2.9
145.06444	3.2
145.09196	2.3
145.10136	23.2
146.10907	2.3
147.08040	9.5
147.11671	17.0
155.08559	4.3
156.09351	95.2
159.08072	9.0
159.11703	17.5
161.09576	4.6
161.13275	3.6
171.11697	95.3
172.11998	3.4
174.10378	13.9
189.09126	3.7
189.12743	100.0
190.13135	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01625	0.8
55.01875	8.7
55.05492	3.2
56.96547	0.9
59.53677	0.8
65.03930	2.6
67.05173	1.3
67.05504	19.1
69.03417	1.0
69.07070	7.2
71.04984	1.2
71.20012	2.2
73.35614	0.7
79.05063	1.5
79.05492	21.4
81.03400	0.8
81.07056	12.2
83.04953	1.9
83.08649	1.1
85.06542	1.9
91.05480	88.0
92.05781	1.3
93.07040	11.0
95.04966	4.5
95.08600	7.2
97.06525	5.1
103.05447	2.8
105.03359	1.1
105.04494	0.8
105.07033	43.4
106.07401	0.9
107.04974	5.6
107.08601	4.0
109.06491	3.4
111.08080	1.1
115.05428	4.3
116.06227	2.5
117.07011	16.9
119.04911	0.9
119.08582	24.5
121.06512	3.6
121.10133	2.9
123.08034	1.3
128.06223	8.9
128.59598	0.8
129.07002	41.3
130.07733	3.4
131.00874	0.7
131.08594	5.6
133.06470	3.2
133.10126	19.6
135.08018	1.3
141.06975	1.9
142.07759	1.0
142.28099	0.8
143.08553	21.9
144.05690	3.0
145.06435	2.3
145.10118	30.7
146.06084	0.9
146.10378	1.1
147.04372	3.4
147.08063	15.2
147.11694	13.8
156.09341	6.8
159.08052	10.0
159.11658	2.8
160.08658	1.0
161.06026	1.0
161.09636	6.1
161.13242	13.5
171.08136	2.1
171.11687	52.1
172.12019	2.2
174.05435	1.2
174.06805	2.4
174.10286	1.1
175.06172	0.8
189.05379	1.1
189.09149	13.7
189.12737	100.0
190.05017	1.5
190.08557	4.5
190.13074	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41702	1.3
59.77071	1.2
62.91585	1.3
67.05485	2.5
69.03439	6.9
69.07047	1.1
70.71994	2.9
70.72341	1.4
77.42159	1.1
78.40869	1.1
79.05482	3.6
91.05476	8.7
93.07027	1.6
103.05441	1.3
105.07037	16.3
107.08576	4.1
115.05455	3.0
117.06995	7.3
119.08569	21.4
121.10117	1.7
128.06204	5.2
129.06984	5.8
130.07817	6.5
131.08568	5.3
133.06493	2.4
133.10120	7.1
141.06993	17.8
142.07784	2.8
143.08563	8.5
144.09409	2.7
145.06471	1.9
145.10133	20.9
147.08061	7.9
147.11687	16.9
155.08577	4.3
156.09346	76.1
157.09706	2.5
159.08083	9.0
159.11697	16.4
160.08818	2.2
161.09598	2.7
161.13304	3.1
171.11688	84.9
172.12024	2.6
174.10432	11.5
178.63947	1.2
186.03374	1.3
189.12744	100.0
190.13123	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47299	0.8
53.03924	0.7
55.01864	9.6
55.05493	3.2
56.96542	1.5
57.03418	1.7
65.03938	1.8
67.05499	18.6
69.03440	1.7
69.07076	4.6
71.05000	1.0
71.58771	1.3
79.05487	19.5
79.97272	0.8
80.05862	1.1
81.03400	0.8
81.07053	13.1
83.04958	2.4
83.08637	0.7
85.06543	1.5
91.05475	80.7
92.05804	1.7
93.07043	11.0
95.04957	4.0
95.08612	6.5
97.06515	4.2
103.05447	2.0
105.03352	1.1
105.07026	42.3
106.07351	1.0
107.04967	4.5
107.08604	4.4
109.06491	2.8
111.08117	0.7
115.05455	3.6
115.06174	0.9
117.07014	16.8
119.04953	1.5
119.08570	25.4
121.06529	4.6
121.10133	2.3
123.08054	1.7
123.61565	0.8
128.06209	11.3
129.06999	38.6
130.07735	3.2
131.04877	0.8
131.08580	6.2
133.06502	3.8
133.09111	1.2
133.10121	20.5
134.10397	0.7
135.08035	1.1
141.07010	2.3
142.07784	1.0
143.08556	24.4
145.06448	1.2
145.10112	33.1
146.05974	1.9
146.10481	1.1
147.04382	7.5
147.08037	19.4
147.11681	13.2
156.09372	6.4
158.16266	0.7
159.07990	1.2
159.11705	2.6
160.05226	0.9
161.05997	1.9
161.09619	6.1
161.13243	14.8
162.13602	1.1
171.07993	3.4
171.11678	55.4
172.12042	2.3
174.06772	1.4
174.10402	0.7
189.05438	1.4
189.09134	11.4
189.12726	100.0
190.04984	1.6
190.08501	4.0
190.13054	2.9
199.99493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03943	2.3
55.01869	5.3
55.05500	1.0
57.03408	1.0
65.03928	1.6
66.73982	0.7
67.05506	0.9
68.59751	0.6
69.03425	1.3
70.84674	1.4
70.85052	1.3
75.36446	0.6
79.05492	7.2
79.49844	0.7
81.03419	1.6
81.07056	3.1
91.05479	34.0
93.07036	2.2
95.04945	1.7
95.92188	0.6
103.05449	3.4
103.97734	0.6
105.03360	1.5
105.07029	18.7
107.04994	4.1
107.08575	1.4
109.02833	1.4
115.05438	2.4
117.07009	4.8
118.07790	0.9
119.04954	8.2
119.08582	16.5
121.06539	1.2
128.06221	18.0
128.07137	1.2
129.06992	1.6
130.07828	1.1
131.04935	1.8
131.08569	2.0
132.05708	3.4
133.06482	2.0
133.10124	7.4
135.04407	9.7
143.08553	15.9
145.05542	0.6
145.06491	4.1
146.07257	4.4
147.04408	66.8
147.08041	100.0
148.04765	1.2
148.08333	1.5
153.06924	0.7
155.06030	0.8
159.04468	1.2
159.08043	1.2
161.05997	1.2
161.09598	13.0
162.06403	0.7
171.08040	29.1
171.11868	0.7
174.06758	7.8
189.09105	73.3
189.12700	1.9
190.09471	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02385	0.7
53.03952	1.8
55.01870	5.2
55.05513	0.8
57.03422	1.0
65.03951	1.9
66.67377	0.7
67.05490	1.5
69.03410	1.7
69.07065	0.9
70.10152	4.0
72.01266	0.9
74.79884	0.7
75.34275	0.7
79.05492	7.9
81.03415	2.3
81.07053	3.2
83.84133	0.7
91.05479	41.9
93.07031	3.1
95.04971	2.4
95.08579	1.2
99.96078	0.8
103.05479	3.1
104.06239	0.9
105.03383	2.1
105.07029	23.2
107.04971	4.9
107.08577	2.5
109.02895	2.1
115.05417	4.3
117.07017	6.7
118.07771	1.3
119.04932	8.0
119.08579	19.7
121.06536	1.3
128.06226	21.1
128.07137	1.4
129.07022	3.1
131.04938	3.4
131.08565	3.3
132.05693	2.8
133.06509	3.2
133.10127	10.2
135.04407	9.3
141.07007	1.8
143.08554	17.8
145.06474	3.4
145.10136	1.1
146.07278	6.4
147.04407	70.8
147.08043	100.0
148.04713	1.6
148.08438	2.8
155.06026	1.8
156.09409	1.3
159.04428	1.0
159.08113	0.8
161.06004	4.1
161.09608	17.1
171.08041	27.9
171.11734	1.7
173.05960	1.4
174.05399	1.4
174.06769	12.2
181.01045	0.7
189.05569	1.7
189.09103	74.2
189.16396	3.0
190.09331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03942	1.6
54.61436	0.8
55.01872	4.2
58.45177	0.9
65.03922	1.0
68.33872	0.8
69.03418	2.9
69.61617	6.6
73.54192	0.8
79.05495	5.5
81.03416	1.2
81.07021	1.4
89.37996	0.8
91.05484	32.4
93.07035	2.5
95.04944	1.4
103.05460	3.5
104.06268	1.0
105.03368	1.2
105.07024	17.4
107.04942	3.3
107.08546	1.0
108.01533	0.9
109.02868	2.7
115.05443	1.9
117.06995	4.3
119.04937	11.0
119.08580	16.1
128.06224	22.1
129.07042	1.3
131.04900	2.0
131.08588	1.9
132.05714	3.1
133.06482	1.4
133.10123	9.8
135.04405	8.4
141.06955	1.6
143.08560	19.5
145.06490	3.1
146.07262	5.1
147.04411	70.9
147.08047	100.0
148.08394	1.3
161.09618	16.4
171.06651	1.8
171.08057	27.8
173.05951	1.7
174.06773	8.2
189.09103	66.1
209.27844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01852	3.9
55.05493	1.4
56.96552	2.3
57.48130	1.1
65.03923	2.1
67.05489	3.3
69.03397	1.3
71.59564	1.3
77.18459	1.2
79.05484	6.5
81.03377	1.5
81.07040	3.8
91.05473	33.3
93.07047	2.9
95.04951	2.0
95.08608	3.2
103.05485	2.0
105.03393	2.1
105.07019	19.8
107.04941	5.2
107.08572	2.7
115.05451	2.4
117.07001	5.0
119.04958	6.1
119.08564	20.2
121.06490	2.9
121.10120	1.3
128.06226	18.5
129.06992	2.9
131.04904	2.7
131.08545	2.8
132.05713	2.9
133.06453	4.1
133.10126	9.6
135.04402	7.0
141.06958	2.4
143.08559	15.9
145.06512	4.5
145.10114	3.2
146.06084	2.0
146.07245	4.2
147.04411	59.2
147.08038	97.0
147.11633	5.7
148.08322	1.7
156.09274	3.1
159.08018	2.0
161.05971	2.0
161.09608	12.8
171.08041	24.2
171.11688	4.6
174.05492	1.6
174.06699	8.1
177.89705	1.2
189.09099	100.0
189.12599	12.2
189.16373	4.6
190.08543	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03949	1.1
55.01873	5.4
55.05497	0.8
56.14136	0.3
57.03425	1.1
58.59991	0.4
59.23056	0.4
65.03931	1.8
67.05499	1.0
68.44489	0.3
69.03423	1.5
69.07071	0.4
69.65704	1.8
69.66132	1.2
72.16664	0.4
76.93573	0.4
77.03923	0.6
79.05494	7.1
81.03410	2.4
81.07034	2.7
91.05479	38.2
92.05788	0.5
93.07056	2.3
95.04984	2.1
95.08661	0.5
99.13286	0.4
103.05459	4.3
104.06242	0.7
105.03379	1.1
105.04529	0.5
105.07028	19.1
105.69666	0.4
107.04943	4.6
107.08560	1.0
109.02864	2.3
113.69177	0.4
115.05451	2.8
117.07027	4.5
118.07780	0.6
119.04939	9.1
119.08579	16.0
121.06496	0.9
128.06221	20.2
129.06960	1.3
130.07779	0.4
131.04930	2.5
131.08578	2.8
132.05710	3.2
133.06476	1.9
133.10121	8.1
135.04410	9.3
137.05968	0.6
141.07001	1.3
142.07774	0.6
143.08563	17.5
145.06496	4.5
145.10092	0.7
146.07245	4.5
147.04408	73.0
147.08041	100.0
148.04744	1.3
148.08336	2.1
152.06216	0.4
153.06950	0.5
155.06029	1.2
159.08093	0.7
160.05217	0.7
161.05972	1.3
161.09615	15.3
162.09901	0.4
171.08047	30.0
171.11732	1.0
172.08374	0.9
173.05968	1.0
174.05269	0.5
174.06770	9.3
175.07425	0.4
187.07602	0.6
189.09102	69.8
189.16257	0.8
190.05031	0.4
190.09399	1.5
203.82289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03947	1.6
55.01871	5.3
55.05498	1.5
55.23782	0.6
56.41676	0.5
56.96585	0.8
57.03435	1.6
57.97666	0.5
63.54942	0.5
65.03947	2.2
67.05503	2.6
69.03419	1.1
69.07063	1.0
69.61736	4.3
77.03941	0.6
77.60121	0.5
79.05494	7.3
81.03420	1.9
81.07050	3.7
85.16991	0.6
91.05478	42.6
92.05791	0.6
93.07024	4.1
95.04955	2.9
95.08626	1.6
97.47424	0.6
98.21400	0.8
103.05468	5.7
104.06250	0.7
105.03384	1.2
105.07031	25.4
107.04950	7.0
107.08614	1.5
109.02874	3.0
109.06491	0.7
115.05445	4.9
117.07024	6.9
118.07787	0.9
119.04942	11.0
119.08579	22.5
121.02888	1.0
121.06501	1.8
123.04416	1.0
128.06223	23.7
129.07062	3.2
131.04942	3.8
131.08582	3.8
132.05669	3.6
133.06514	4.2
133.10118	10.9
135.04428	11.4
137.05984	0.9
141.06996	2.1
142.39790	0.6
143.08559	18.2
145.06480	5.6
145.10127	1.8
146.06085	1.2
146.07263	4.9
147.04410	73.0
147.08041	100.0
147.11636	2.5
148.04744	0.9
148.08379	2.5
152.06273	0.7
153.07051	0.7
155.06071	1.3
156.09357	2.1
159.04420	1.3
159.05644	0.6
159.08101	1.2
160.05237	0.8
161.05931	2.8
161.09612	19.1
161.13220	1.1
162.05377	0.7
169.06514	0.9
171.08044	31.1
171.11697	2.3
172.08414	0.8
173.06012	0.8
174.06767	12.4
174.10442	0.7
189.05473	2.3
189.09108	86.0
189.12593	5.7
189.16406	2.2
190.04948	0.9
190.08525	1.0
190.09554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
58.98328	0.4
71.32596	0.7
89.20300	0.5
91.05477	7.2
97.33325	0.4
103.05471	0.7
115.05453	8.8
117.05768	2.6
117.07011	6.4
118.06539	91.1
119.06851	1.7
128.04945	0.5
128.17049	0.4
132.08072	0.9
142.06520	7.8
143.07304	15.9
144.04445	0.5
144.08084	26.6
145.06488	1.5
145.08455	0.5
146.06004	100.0
147.06352	2.6
155.06010	1.2
160.07600	1.4
160.95621	0.4
169.10379	0.4
170.06013	10.5
188.07056	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.42097	1.2
53.03936	2.5
53.70728	1.4
53.89462	1.6
55.01864	3.8
55.05498	3.3
56.96557	5.3
57.46189	1.4
64.28342	1.4
65.03944	2.1
67.05500	4.4
69.03438	2.9
69.07085	1.8
71.59073	1.7
79.05492	10.7
81.03432	1.8
81.07045	6.2
83.04946	1.4
91.05483	48.2
93.07053	6.9
95.04969	5.1
95.08607	4.2
103.05473	5.9
105.03365	1.9
105.07034	39.3
106.96626	1.3
107.04984	6.1
107.08588	4.9
109.02861	2.2
109.06524	3.5
109.10220	1.3
115.05409	6.8
116.06222	1.6
117.07030	8.4
119.04941	9.5
119.08581	38.6
121.06475	3.4
121.10126	2.0
128.06224	22.9
129.06970	4.2
130.07823	2.0
131.04916	1.7
131.08539	10.3
132.05692	2.7
133.06490	5.8
133.10138	18.9
135.04413	8.4
141.07018	3.3
142.98679	2.2
143.08557	22.2
145.06497	5.4
145.10156	7.8
146.07275	5.7
146.10884	4.3
147.03230	3.4
147.04410	71.5
147.08049	100.0
147.11691	19.2
148.08455	1.7
156.09357	12.2
159.08064	12.6
159.11703	1.6
161.05980	2.6
161.09637	20.0
161.13274	5.9
171.08058	26.7
171.11696	11.7
172.70731	1.3
173.09641	2.0
174.05518	1.6
174.06850	10.9
174.10434	14.1
175.03268	1.8
189.05452	3.6
189.09111	69.2
189.12698	45.3
189.16365	6.7
190.08690	4.5
196.75552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71966	0.3
70.18621	1.0
86.94675	0.2
91.05479	5.7
103.05471	0.6
115.05450	7.8
115.06261	0.4
116.04986	0.4
116.06271	0.4
117.05785	1.6
117.07014	5.7
118.06539	78.9
119.06892	1.7
128.04941	0.3
132.08076	0.7
142.06525	6.6
143.07297	13.4
144.04449	0.7
144.08084	24.9
145.06508	1.1
145.08406	0.8
146.06004	100.0
147.06367	2.1
155.06027	0.7
160.07562	0.8
160.75143	0.3
161.05397	0.2
170.06009	8.8
171.06349	0.4
188.07068	15.5
189.07425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61926	0.2
55.05521	0.2
65.03949	0.3
67.01861	0.2
67.05499	1.1
69.03441	0.4
71.17010	0.3
79.05482	0.4
81.03407	0.3
81.07046	0.4
88.02206	0.2
91.05480	3.5
93.07072	0.3
94.79037	0.2
95.04964	0.4
96.96754	0.2
103.05503	0.4
105.03432	0.2
105.07028	8.0
106.07378	0.2
109.02855	0.2
115.05440	1.4
115.49947	0.2
116.06234	1.0
117.07011	4.8
119.04970	0.3
119.08580	14.5
120.08927	0.2
121.06548	0.2
127.05392	0.2
128.06232	2.8
129.07002	17.4
130.07811	1.7
131.04922	0.2
131.08569	10.0
132.08881	0.2
141.06975	1.1
142.07799	1.7
143.08559	2.3
144.05705	1.0
144.09338	25.0
145.06458	1.1
145.10150	2.0
146.07317	0.3
147.08015	0.7
153.06969	0.5
154.07800	1.4
157.06508	2.0
157.10110	2.2
158.07251	0.7
159.04482	0.2
159.08102	2.5
159.11682	31.4
160.12029	0.5
167.08659	0.2
169.10118	2.3
171.08034	0.9
172.05199	0.6
172.08830	12.3
173.09225	0.3
185.09572	0.5
186.10411	0.6
187.07762	2.6
187.11176	100.0
188.11502	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03946	0.9
54.60566	0.7
55.05514	1.6
57.07079	5.3
65.03947	0.9
67.05503	12.1
69.03413	1.3
69.07066	3.4
69.69973	4.9
79.05487	8.4
81.03416	2.0
81.07053	6.6
83.08628	1.8
88.02218	3.2
90.17740	0.7
91.05476	26.4
93.07043	8.0
95.04978	1.8
95.08596	4.4
103.03280	0.7
103.05459	1.3
105.07028	23.7
107.08604	4.1
107.09211	0.7
107.78378	0.7
109.10138	1.1
115.05471	2.6
116.06236	2.9
117.07014	24.9
119.08583	21.1
121.10156	2.7
125.92885	0.9
128.06180	1.0
129.06989	7.3
130.07800	7.9
131.08563	62.9
132.08908	2.3
133.10127	5.0
141.06947	1.1
142.07800	1.9
143.08592	5.5
144.09367	4.2
145.10123	100.0
146.10497	3.2
154.07782	1.3
157.10129	3.5
158.10910	2.2
159.06941	1.7
159.08098	1.8
159.11696	20.2
169.10120	2.1
172.08862	1.7
172.12476	2.2
181.63968	0.7
185.13245	2.0
187.03806	0.9
187.07596	3.4
187.11252	5.6
187.14821	76.2
188.15178	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	186.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60050	0.4
53.03939	0.8
54.03461	1.1
55.01862	1.3
55.03201	0.5
55.05502	1.5
55.93497	0.6
56.05025	0.7
56.96545	1.5
56.98008	0.8
57.03428	1.7
57.07067	0.6
57.23703	0.5
58.99585	0.6
60.04523	0.9
67.05485	0.7
68.05022	4.0
69.03410	2.2
69.04542	0.8
70.02951	0.4
70.06580	1.5
70.99574	4.3
71.01355	0.4
71.04977	0.8
71.58260	0.7
72.04509	0.6
72.08137	0.9
72.93768	1.2
80.05006	1.2
81.03410	1.1
82.06578	1.0
83.04968	1.3
83.06094	0.6
84.04488	2.0
84.08121	1.2
84.97440	1.0
85.01131	2.5
85.02913	4.6
85.07664	0.6
86.06070	1.1
88.07636	0.7
89.03910	3.1
90.12741	0.4
90.94813	0.7
94.06548	0.5
95.04945	0.7
96.04479	0.6
97.01160	1.0
97.07609	0.6
98.06051	1.9
99.04446	0.9
100.07578	0.7
103.05438	1.9
109.02834	0.5
109.07636	0.6
110.06036	0.9
111.09196	1.0
112.02173	2.0
113.00591	4.0
114.05526	6.3
116.98552	0.6
117.03373	3.1
120.36058	0.5
121.00783	2.3
121.01603	1.0
122.00623	0.6
122.06013	1.3
124.02157	2.2
126.05529	3.6
127.00872	1.1
127.03896	0.6
128.07037	0.7
130.06516	1.4
131.04890	1.6
131.97417	0.5
134.99628	1.0
135.04372	0.5
139.01811	7.0
139.02820	0.4
140.01633	2.1
140.07036	1.7
143.41605	0.5
144.06587	0.8
145.02827	2.1
147.03503	0.5
150.00121	0.7
156.06573	0.7
158.06001	3.1
163.01805	4.2
168.01149	1.9
168.06482	0.9
169.09697	1.2
177.00679	0.6
181.02855	13.4
184.04890	0.5
186.02196	100.0
186.05547	3.1
186.07533	3.3
186.11101	1.1
186.12532	1.0
186.18538	1.2
187.02489	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	182.1176
Annotation	Chrysogedone A
Peak:m/z	Relative Intensity
53.03950	1.9
54.23524	0.6
55.01851	0.8
55.05511	0.8
56.96564	4.2
57.07063	0.7
67.04240	0.6
67.05495	1.9
68.05029	21.1
69.03424	9.9
69.07072	0.8
69.82597	1.4
69.83016	2.1
70.06606	1.2
71.04995	2.0
72.04532	1.0
79.05496	1.6
80.05016	2.9
81.03410	2.0
81.07053	1.7
84.96045	0.7
85.02913	0.9
86.06075	1.4
87.04468	56.1
89.11289	0.6
90.34006	0.6
91.05489	1.6
94.06560	4.0
94.07402	0.9
95.04969	6.3
95.08605	0.7
96.04506	1.4
96.08131	44.5
97.02907	1.2
97.08484	0.7
98.06028	2.1
98.97584	1.8
98.98470	7.5
99.97923	1.3
105.03400	5.1
106.06563	0.7
107.07274	0.9
108.08132	8.4
108.08882	1.1
109.06543	0.7
116.98615	3.4
117.05721	1.0
117.98920	1.3
118.06543	2.3
120.08098	0.7
121.08891	1.0
122.06003	1.7
122.06833	1.0
122.09663	3.3
122.10444	1.0
123.04428	2.8
123.05567	2.1
123.07994	0.8
127.01553	1.1
134.99648	6.4
136.00015	3.4
136.07578	23.2
136.11192	1.7
137.02997	0.6
140.04654	1.4
140.07140	1.0
140.08171	2.7
146.09666	8.0
147.10428	0.9
149.08357	1.5
152.07089	1.0
153.00731	1.4
154.00954	0.9
154.08641	2.1
155.04825	0.6
164.04071	0.9
164.10712	100.0
165.05498	0.7
165.11079	2.0
166.98550	1.3
167.07059	0.7
167.08432	0.6
177.00728	0.7
182.00914	2.3
182.04495	1.5
182.08278	2.9
182.11765	42.6
183.12059	1.5
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	Kinabalurine B
Peak:m/z	Relative Intensity
53.03951	1.2
55.01873	1.9
55.05509	14.8
56.96557	1.3
57.03434	2.0
57.07075	3.8
58.02961	52.0
61.15312	0.6
67.05505	33.9
68.05850	0.7
69.03426	0.9
69.07067	91.9
69.26498	4.6
69.26925	3.3
70.06595	4.1
70.07397	1.0
71.04996	1.2
71.08648	0.8
72.08152	1.5
74.06091	1.6
79.05494	11.6
81.07059	30.5
82.06583	1.0
83.04987	2.0
83.08614	9.4
84.08144	14.4
84.42430	0.7
86.06082	2.1
91.05474	8.5
93.07046	17.8
95.04986	3.8
95.08602	11.9
97.06526	6.0
98.06061	4.6
98.09702	3.2
98.97604	1.6
98.98456	2.8
100.07620	8.4
105.03409	1.0
105.06305	1.0
105.07028	23.6
107.08598	27.8
108.08907	1.1
109.06528	5.3
109.10155	67.8
110.10483	1.5
110.78627	0.7
112.07604	2.9
114.09162	18.4
116.98642	1.8
117.98941	1.0
119.08582	3.1
121.10153	2.9
123.08079	1.4
123.11708	11.5
124.11214	0.9
126.09151	14.8
126.12805	1.4
128.10699	1.1
131.08545	1.1
133.10132	37.4
134.10464	1.3
134.99657	2.4
135.11688	28.3
136.00009	1.1
137.13252	1.6
138.12778	32.1
139.13153	0.7
140.10701	1.6
140.14319	1.9
147.11693	6.9
151.11168	12.2
152.48074	0.8
153.12750	16.9
154.15871	2.0
164.14354	4.5
165.12752	2.9
178.21640	0.6
182.08109	1.0
182.15402	100.0
183.11693	1.2
183.15796	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	182.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.0
62.63161	0.5
69.88226	3.4
69.88607	1.1
100.11253	1.9
110.05805	7.3
127.24781	0.6
142.82957	0.5
182.05785	100.0
182.07855	34.1
183.06140	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72235	0.2
58.06593	1.2
71.57758	0.4
88.07614	1.0
95.01072	0.5
105.01162	0.2
110.05791	21.9
120.07857	0.3
136.07326	0.5
138.08882	0.9
142.08652	0.2
146.40524	0.2
154.08357	0.4
164.06857	0.8
180.38754	0.2
182.05925	4.8
182.07875	100.0
183.08221	1.3
200.08961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03946	4.9
54.76305	0.8
55.01862	1.9
55.05510	5.8
56.05025	1.4
56.96553	2.0
57.03436	1.3
58.02954	3.1
58.24997	0.9
65.03940	5.2
66.04734	0.8
67.05505	26.4
68.05012	3.3
69.03416	2.7
69.07073	6.3
70.02932	2.3
70.06577	2.6
71.58838	1.3
72.04501	1.4
77.03973	0.9
79.05492	36.3
80.05009	4.0
81.03406	3.3
81.07057	45.6
82.02939	1.5
82.06598	1.6
83.04965	1.0
83.08622	2.0
84.08112	2.5
85.02906	1.3
86.02416	6.2
86.06045	2.4
87.75346	0.8
91.05489	8.3
92.04971	2.1
92.05788	0.9
93.05792	9.7
93.07045	2.2
94.06549	2.7
94.07379	1.6
95.04969	18.9
95.06129	1.0
96.04480	3.9
96.05754	1.2
96.08131	2.3
97.05246	1.5
97.06530	10.8
98.06044	5.8
98.09674	3.3
98.97572	0.9
98.98468	3.2
99.04496	1.2
105.03373	3.2
106.06535	3.0
107.04939	1.2
107.07320	6.8
107.08604	1.0
108.04461	2.5
108.08118	70.9
109.06519	10.8
110.06061	7.0
111.04482	1.2
112.04674	1.0
116.97725	0.9
116.98583	1.0
117.05799	1.1
118.06506	3.1
119.04922	2.2
119.08625	0.8
120.04460	2.9
121.05234	3.5
122.06003	4.2
122.07040	1.5
122.10462	1.7
123.04427	7.3
123.05439	1.9
124.05248	2.3
124.07582	2.5
125.05988	33.7
126.05521	37.8
126.09151	23.3
134.06004	2.0
134.99677	1.1
136.07578	100.0
137.06013	1.9
137.07985	1.3
137.09653	1.0
138.05490	3.7
138.09140	1.1
140.04689	1.7
140.07076	1.5
140.08153	2.3
141.05461	1.8
152.07062	3.1
153.05510	1.8
153.07796	3.0
154.08627	30.3
164.07065	85.4
165.07466	2.1
166.98567	1.5
167.03395	1.0
181.04984	2.5
182.00896	1.9
182.08125	78.5
183.08417	1.5
203.86996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1586
Annotation	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
53.03939	1.5
55.01868	6.1
55.05511	10.4
55.90565	0.7
56.96564	15.8
57.03435	5.3
57.07074	5.9
59.04999	0.8
65.03948	0.6
67.05502	11.6
69.03432	2.6
69.07071	9.1
71.04996	1.8
71.08633	2.7
71.59595	0.9
71.95265	3.0
79.05499	11.4
81.03404	1.3
81.07054	10.9
83.04971	9.1
83.08636	4.8
85.06553	3.4
89.03919	1.3
91.05489	6.3
93.07040	16.9
95.04966	4.3
95.08607	11.8
97.02877	0.7
97.06525	8.0
97.10164	2.0
98.97582	38.5
99.08088	2.9
105.07052	2.0
107.04944	1.7
107.08588	16.7
108.08873	0.8
109.06502	1.3
109.10162	3.5
111.04452	0.9
111.08077	44.4
112.08421	1.2
116.98615	54.6
117.03383	1.5
117.98975	1.0
119.08558	1.0
121.06526	0.8
121.10131	8.2
125.05988	2.9
125.09612	7.0
134.99652	100.0
135.04395	4.0
135.11694	1.7
136.00034	1.2
136.07574	0.9
137.13312	0.9
139.11165	1.7
140.00166	5.0
145.02838	1.0
145.10068	1.4
153.00706	31.0
153.06932	1.1
158.01247	16.6
163.03911	6.1
163.09937	1.1
163.11156	6.3
163.14815	2.5
163.77220	0.8
176.02319	3.4
181.02802	1.2
181.04900	1.8
181.06445	5.5
181.08611	1.1
181.12222	2.7
181.15855	30.1
182.00912	1.6
182.16132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.01589	0.8
50.55981	0.7
53.03947	4.4
54.47239	0.6
55.01875	9.5
55.05509	20.0
56.96567	15.4
57.03437	3.7
57.07077	4.4
57.97357	0.8
62.31494	0.6
64.47471	0.6
65.03938	4.5
67.05503	26.5
69.03430	4.5
69.07066	13.9
70.77242	2.0
71.01344	1.4
71.04984	4.1
71.95253	3.0
73.02907	2.5
79.05490	51.5
80.05849	1.0
81.03417	3.6
81.07055	26.7
83.04986	11.6
83.08611	7.5
84.04482	1.1
85.02904	1.9
85.06528	1.7
86.06081	0.6
89.03890	1.0
91.05476	26.1
92.05802	1.0
93.03396	1.7
93.07040	66.5
94.07357	1.2
95.04966	14.8
95.08605	46.5
96.04533	0.9
97.02874	3.4
97.06526	10.0
98.06023	0.9
98.97577	32.0
99.04455	2.3
103.05463	8.9
105.04516	1.7
105.07024	21.2
107.04958	17.2
107.05605	0.7
107.08590	39.4
108.05738	1.2
108.08968	1.1
109.06527	5.3
109.10152	3.7
110.03676	0.9
111.04446	5.0
111.08057	4.5
114.84569	0.7
115.05444	1.9
116.98617	53.4
117.03336	1.1
117.07013	12.1
119.04870	1.1
119.08591	8.7
120.05750	1.1
121.06505	19.4
121.10138	26.5
122.06855	1.0
122.10480	0.7
123.04409	1.0
123.08065	5.2
125.05997	13.2
128.27898	0.8
130.07770	2.7
131.04913	1.4
133.06506	1.2
133.10158	1.7
134.99655	100.0
135.04419	3.5
135.08072	5.9
135.11685	37.6
136.00069	1.5
136.07599	2.0
136.12016	0.8
137.05972	2.2
138.03104	1.2
138.06602	0.9
139.03873	2.2
139.07553	4.9
139.11133	1.1
140.00157	4.4
140.08150	1.5
143.08525	1.2
145.02840	1.3
145.10123	25.7
146.10501	0.9
148.05225	0.9
149.06001	4.2
152.06163	1.0
153.00702	24.6
153.05515	2.2
153.06989	2.0
153.09123	1.3
153.12762	1.6
158.01250	12.0
163.03925	5.1
163.07544	33.4
163.11174	46.1
164.07976	1.6
164.11490	2.1
165.06998	4.1
166.07770	4.9
174.92178	0.6
176.02325	2.4
177.00667	0.7
179.08578	1.0
181.04945	5.8
181.06438	2.9
181.08688	5.1
181.10068	3.8
181.12212	18.6
181.15750	1.7
182.00992	1.5
182.08113	0.9
182.12636	0.9
184.03641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.55127	0.9
53.03936	1.2
55.01875	1.2
55.05505	4.1
56.96557	2.8
57.07077	22.9
57.75869	0.9
59.05002	4.9
67.05485	1.9
69.03429	1.4
69.07053	3.9
71.05014	1.0
79.05492	11.3
79.40291	1.0
81.03417	8.2
81.07073	5.3
83.04981	50.4
85.05887	1.0
91.05474	5.2
93.07043	9.5
95.04971	18.2
95.08629	1.4
97.06526	26.9
98.06838	1.2
98.21539	2.3
98.82381	1.1
98.97575	5.9
105.07033	8.0
107.04915	2.6
107.08586	11.6
109.06498	1.3
116.98622	10.7
117.07006	2.6
119.08614	4.0
121.06528	5.2
121.10143	14.4
123.08057	1.6
125.05991	60.8
126.06346	1.5
130.07799	2.9
131.68097	1.2
134.99664	17.5
135.04436	2.0
135.11702	7.5
138.11031	1.1
140.00171	1.6
141.12592	1.0
145.02881	1.1
145.10114	10.0
153.00684	3.6
154.49120	1.0
158.01270	3.5
160.15277	1.3
163.03864	4.8
163.11180	100.0
164.11536	3.1
165.07004	1.3
166.07715	3.2
168.94308	0.9
181.06567	1.1
181.10080	2.2
181.10417	1.6
181.12236	22.2
182.05745	1.6
200.90260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.04419	1.0
53.03950	1.0
55.01881	1.8
55.05490	4.2
56.96563	5.1
57.07074	18.7
59.04992	3.0
67.05485	3.6
69.03409	2.0
69.07049	4.8
69.35889	10.9
79.05492	10.4
81.03410	5.4
81.07059	5.1
83.04980	51.5
91.05471	4.8
93.07050	9.7
95.04959	18.3
95.08601	1.5
97.06532	23.0
98.20725	2.1
98.97578	9.5
105.07024	8.0
107.04961	3.9
107.08591	13.1
111.08102	1.1
116.98631	16.6
117.07004	3.9
117.47392	1.0
119.08578	5.0
121.06493	3.9
121.10138	15.9
125.05992	60.5
130.07796	2.5
134.99657	32.2
135.04385	2.7
135.08025	1.6
135.11673	6.7
140.00258	1.1
145.10107	13.8
146.52435	0.9
153.00661	9.3
158.01254	6.9
163.03903	4.4
163.11179	100.0
164.11485	2.3
166.07805	1.7
176.02315	1.8
181.06435	1.3
181.10040	1.5
181.10463	1.7
181.12227	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
54.98212	1.2
55.01880	1.2
55.05499	3.5
56.96560	4.8
57.07073	23.2
59.05001	2.0
59.41359	1.2
67.05494	2.7
69.03417	2.5
69.07064	2.8
69.96176	7.2
73.72217	1.1
79.05500	10.5
81.03402	5.2
81.07049	8.3
83.04984	44.3
87.25800	1.2
89.03907	2.3
91.05470	4.2
93.07034	11.5
95.02766	1.2
95.04964	16.8
97.06528	27.0
98.97560	10.7
103.48639	1.2
105.07030	7.8
107.04940	2.6
107.08598	13.4
116.98623	16.3
117.03333	1.2
117.07023	1.7
119.08558	4.3
121.06492	1.7
121.10139	17.6
125.05993	61.4
126.06313	1.4
130.07762	2.9
134.99660	28.2
135.04407	5.8
135.07977	1.6
135.11700	8.2
136.07542	1.2
140.00214	1.8
143.08525	1.9
145.02858	3.4
145.10133	13.6
153.00708	8.6
158.01247	6.3
163.03909	11.4
163.11174	100.0
164.11493	2.3
166.07726	2.3
169.78735	1.3
173.55846	1.2
181.04993	2.8
181.10049	1.2
181.10454	1.5
181.12219	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03945	1.1
55.01867	1.1
55.05516	3.2
56.96568	3.8
57.03424	1.1
57.07073	3.5
59.05000	4.5
67.05502	3.8
68.67210	0.6
69.03422	3.6
69.07071	5.9
70.84154	1.9
71.04987	0.8
71.95258	0.7
73.02908	0.8
76.98067	0.6
79.05492	10.5
81.07053	10.3
83.04980	1.9
91.05487	5.5
93.07041	30.0
93.07630	1.5
95.04979	2.3
95.08607	22.3
97.06548	3.2
98.97585	12.4
103.05455	0.6
105.07027	5.5
107.04945	1.8
107.08596	45.2
108.08940	0.9
109.06516	1.7
109.10162	3.8
111.04433	2.8
111.08056	2.4
114.08516	0.5
116.98622	14.5
117.06998	1.9
119.08582	5.3
121.06512	8.1
121.10146	25.9
122.10500	0.9
123.08075	4.2
125.05990	5.8
130.07751	0.9
134.99658	11.9
135.08052	1.4
135.11691	53.1
136.12015	1.8
137.13191	1.6
139.07535	9.5
139.11137	0.6
140.00180	0.9
145.10115	14.9
146.10402	0.9
153.00696	2.8
153.12750	3.7
158.01225	0.7
163.03889	1.2
163.11182	37.4
164.11542	0.9
181.12233	100.0
182.12538	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.37225	0.9
53.03940	3.8
55.01869	8.0
55.05266	1.6
55.05511	26.2
56.96563	53.2
57.03424	3.2
57.07069	3.2
63.60191	0.8
65.03933	3.0
65.57750	0.9
67.05504	29.2
69.03418	3.0
69.07072	13.8
70.98121	1.6
71.03752	1.1
71.04083	1.9
71.04981	3.6
71.95253	3.0
72.06286	1.0
73.02905	3.3
79.05493	53.9
81.03428	5.0
81.07053	31.2
83.04980	10.1
83.08620	6.6
85.06554	1.3
87.04433	1.1
89.03912	1.0
91.05485	19.7
93.07043	69.8
94.07379	1.0
95.04967	12.5
95.08607	60.9
96.08916	1.6
97.02874	2.9
97.06532	6.7
98.97582	67.3
99.04449	3.2
99.97923	1.4
103.05450	5.4
105.04433	1.1
105.07034	19.1
107.04282	1.7
107.04954	18.2
107.08592	37.0
109.06520	4.1
109.10179	1.5
111.04440	3.6
111.08081	2.7
115.05401	1.4
116.98620	93.4
117.07020	13.6
117.98950	1.3
119.08579	11.4
120.05701	1.0
121.06505	15.7
121.10143	24.4
123.08044	1.9
125.02411	1.1
125.05999	8.1
130.07809	4.3
133.06406	1.0
133.10139	2.0
134.99655	100.0
135.04395	1.9
135.05663	1.4
135.08031	3.9
135.11688	47.1
136.00038	1.6
136.11989	1.2
139.03854	1.2
139.07524	4.9
140.00182	5.5
142.04620	2.8
143.08540	1.3
144.06088	1.2
145.10117	27.5
146.10457	1.2
149.05403	1.3
153.00717	21.3
158.01250	13.5
158.06067	0.9
163.03841	1.9
163.06276	1.6
163.07553	18.9
163.11177	50.7
164.11545	1.7
176.02361	1.9
177.47014	0.9
181.08621	2.1
181.12221	15.2
195.13881	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
50.88658	0.5
51.02378	0.8
53.00298	2.6
53.03952	2.9
55.01871	4.0
55.05507	8.4
56.96568	12.7
57.03437	2.1
57.07079	1.9
63.99821	0.5
65.03939	12.7
67.01881	0.8
67.05502	8.7
68.02656	4.4
68.99802	2.1
69.03433	5.2
69.07071	6.2
69.43755	4.9
71.05000	1.5
71.95264	2.1
77.66962	0.6
79.05492	14.5
79.79891	0.5
81.03428	2.0
81.07056	6.3
82.04200	6.1
83.04979	9.8
83.08620	4.6
83.19356	0.5
85.02914	4.1
89.03901	0.9
91.05482	6.1
92.02654	0.7
93.03403	15.0
93.03971	1.2
93.07043	9.9
94.06597	0.6
95.01338	2.7
95.04968	14.6
95.08601	5.0
97.02899	6.3
97.06522	7.6
97.10179	2.4
98.06023	0.9
98.96926	1.3
98.97579	27.1
103.05476	4.2
105.04521	1.7
105.07040	3.9
106.04211	0.9
107.04953	7.4
107.08603	8.5
108.02103	1.1
109.02845	0.7
109.06516	1.2
109.10159	1.5
110.03657	11.4
110.86055	0.6
111.04442	6.0
111.08071	2.5
112.86781	0.6
116.98617	43.3
117.03439	0.6
117.07030	0.8
117.99030	0.7
119.04928	0.8
119.08575	1.0
121.02864	15.8
121.06493	6.7
121.10161	8.5
122.07201	0.8
123.04453	4.1
123.05280	0.7
123.11650	0.8
125.02351	6.1
125.05994	14.5
125.09632	0.8
134.99658	77.9
135.04385	4.1
135.08046	2.3
135.11673	3.2
135.99968	0.7
136.07628	0.6
137.02341	2.2
137.05986	2.2
137.09642	0.8
138.03123	12.2
139.03906	5.3
140.00212	2.2
141.06982	1.1
145.02844	0.7
145.10127	1.8
148.05225	0.6
149.05945	2.8
151.03908	10.7
153.00706	21.8
153.01855	3.6
153.05464	82.6
154.02638	0.8
154.05791	2.1
158.01254	9.7
163.03925	5.2
163.07533	8.2
163.11168	5.4
163.14801	2.1
165.06961	5.1
166.02638	1.9
166.07784	5.1
169.04979	2.0
176.02324	2.4
179.03398	6.8
179.08522	0.7
181.04955	100.0
181.10133	10.3
181.11998	3.6
181.15881	2.1
182.02121	1.0
182.05301	3.3
182.07948	0.5
183.02841	0.8
184.03676	17.6
197.04454	16.9
198.04805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
53.03926	2.0
55.01855	2.3
55.05510	6.5
56.04997	0.7
56.96564	2.8
57.03436	2.7
57.07066	2.5
59.04999	1.3
59.06115	1.3
62.05787	1.1
62.06088	14.7
63.02379	0.6
65.03941	4.6
67.05500	6.0
68.05028	1.3
68.99796	0.6
69.03413	2.2
69.07067	8.7
70.06583	0.9
71.04987	1.3
71.08643	0.7
71.58416	0.6
74.12016	0.6
74.31754	0.5
78.01757	0.6
79.05492	7.9
81.03428	1.3
81.04534	1.3
81.07058	8.4
82.04224	0.9
82.06538	0.6
83.04978	3.2
83.06096	1.6
83.08625	4.9
83.09771	0.5
83.40945	0.6
85.02904	2.8
85.06523	0.9
89.03918	21.4
91.05484	6.7
93.03392	1.6
93.07043	8.6
95.04972	5.7
95.06098	1.3
95.08595	7.1
97.02894	0.8
97.06519	4.8
97.07648	1.1
97.10163	2.3
98.97589	4.9
99.05571	0.9
103.05454	2.2
105.07008	2.5
107.04950	9.1
107.06093	0.8
107.08589	12.6
108.02094	1.2
108.08118	0.9
109.06515	1.7
109.07632	1.3
109.10140	4.3
110.03648	1.2
110.07106	0.5
111.04418	3.8
111.08079	4.0
114.06645	0.7
115.05393	0.6
116.98619	6.6
117.03379	22.9
117.07008	0.9
118.03720	0.6
119.04930	0.9
119.08622	1.3
121.06489	4.0
121.10146	11.2
122.06039	0.5
122.07166	2.0
123.04396	1.3
123.05558	0.8
123.08044	1.4
123.11703	5.2
124.08690	1.2
125.06006	2.7
125.09634	8.0
134.99660	8.6
135.04414	51.3
135.08047	2.6
135.11694	4.3
136.04733	0.7
136.07576	1.5
136.08658	1.2
137.04955	0.6
137.05983	1.2
137.13237	5.0
138.03091	0.9
138.06641	0.9
139.03946	2.9
139.07510	0.9
139.09784	0.5
139.11180	2.2
140.00098	0.6
140.08189	1.5
145.02847	27.4
145.10083	1.6
146.03152	0.8
148.05292	0.6
149.05978	1.3
151.03856	0.9
153.00705	2.0
153.05447	1.2
153.06938	0.7
153.09122	0.6
158.01277	1.0
163.03902	100.0
163.11201	2.2
163.14832	3.5
164.04286	3.6
164.06990	1.0
164.08240	0.6
166.06250	1.2
166.07599	0.6
169.82155	0.6
171.06531	1.4
181.05054	8.1
181.06477	1.2
181.08554	3.1
181.10797	1.9
181.12276	2.1
181.15863	8.3
182.08136	0.8
185.12570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01878	0.8
55.05517	0.6
56.05046	0.5
56.96558	0.6
59.06110	0.5
63.02368	0.5
64.40147	0.4
65.03936	1.1
67.05511	1.1
68.05027	1.2
68.99772	0.4
69.07048	0.4
70.06583	1.3
71.04981	0.4
71.58102	0.5
71.94502	0.3
72.08156	0.8
79.05491	4.7
80.05006	0.5
81.03423	0.4
81.04530	0.5
81.07063	0.6
83.04980	0.6
83.06089	0.9
89.03914	23.0
90.04268	0.5
91.05486	5.0
93.03406	0.5
93.07051	2.7
94.06582	0.9
95.04964	3.6
95.06081	0.8
95.08604	0.5
97.02901	0.5
97.06494	0.7
97.07648	0.6
97.10116	0.4
98.97594	1.0
103.05482	1.3
105.04539	0.4
107.04949	8.8
107.08607	0.8
108.04504	0.3
108.08140	0.4
109.07626	0.6
110.06029	0.9
111.04456	2.8
111.08038	0.4
116.98640	1.0
117.03373	22.4
117.07056	0.3
118.03744	0.4
119.04941	1.0
121.06506	2.7
121.10110	0.9
122.06029	7.4
122.07025	0.4
123.04417	0.7
124.08665	0.6
125.05988	0.8
125.07121	0.3
133.02901	0.4
134.99651	1.1
135.04410	46.9
135.08022	0.9
136.04773	1.2
136.07608	0.5
136.08701	0.5
137.05992	0.6
139.03906	2.5
139.07518	0.5
140.08205	0.6
145.02844	25.7
146.03165	1.0
147.04448	0.4
148.05212	0.4
149.05972	1.0
151.07544	0.4
153.05428	0.9
153.07069	0.4
163.03897	100.0
164.04247	3.4
164.07028	0.4
164.08282	0.9
164.10709	4.8
166.06264	1.1
181.05168	1.6
181.06392	0.7
181.07156	0.4
181.08545	2.5
181.10863	0.7
181.12233	0.9
182.04460	0.9
182.08092	0.9
186.05475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.02376	0.3
53.03942	1.6
55.01875	1.2
55.05513	1.2
56.05019	0.3
56.96569	1.6
57.03445	0.5
57.07052	0.3
58.06602	0.3
59.06126	0.9
63.02385	0.6
63.08688	0.3
65.03942	2.6
67.02993	0.5
67.05505	3.3
68.05025	1.3
68.99804	0.5
69.03449	1.6
69.07079	0.7
69.55919	0.3
69.90809	0.7
69.91212	1.1
70.06591	0.7
71.04994	0.4
72.04536	0.3
72.08148	0.3
77.79807	0.3
78.04727	0.3
79.05494	7.4
79.05964	0.4
80.05048	0.4
80.05798	0.3
81.03435	0.9
81.04540	1.1
81.07052	1.0
82.04241	0.4
82.05315	0.3
83.04989	1.4
83.06111	0.9
83.08625	0.5
84.04486	0.4
85.02900	1.6
85.07668	0.3
86.69286	0.3
89.03916	24.2
91.05482	7.5
91.06013	0.5
91.30055	0.3
93.03403	1.0
93.07045	3.9
94.06577	0.5
95.04968	5.0
95.06028	1.4
95.08611	1.1
97.02905	1.1
97.06527	1.2
97.07645	0.9
98.06020	0.5
98.21393	0.5
98.97589	2.7
99.05572	0.8
103.05477	2.7
105.03355	0.4
105.04530	0.7
105.07045	0.9
107.04955	10.4
107.08585	2.1
109.02900	0.6
109.06537	0.7
109.07642	0.9
109.10134	0.4
110.03638	0.4
110.06042	0.5
110.07189	0.3
111.04445	3.8
111.05558	0.4
111.08053	0.6
113.07090	0.4
114.06694	0.3
116.98611	5.0
117.03378	22.7
117.06984	0.5
119.04930	1.9
120.05647	0.4
121.02867	0.4
121.06510	5.6
121.10141	2.4
122.03579	0.4
122.06033	0.7
122.07147	1.1
123.04435	1.6
123.05532	0.5
123.08055	0.5
124.05147	0.3
124.08729	0.6
125.05984	1.3
125.07017	0.7
131.04922	0.5
133.02820	0.7
134.99664	7.2
135.04414	50.7
135.07993	2.2
135.11693	1.0
136.04793	1.3
136.07581	0.9
136.08691	0.8
137.05994	3.1
137.06987	0.6
138.06635	0.8
139.03908	3.7
139.07504	0.4
139.09763	0.6
140.07127	0.3
140.08186	0.9
145.02847	26.2
145.03835	1.0
145.10146	0.8
146.03160	0.8
147.04369	0.6
148.05153	0.9
149.02275	0.4
149.06001	2.0
151.03903	1.0
151.07509	0.5
153.00693	1.7
153.05479	1.6
153.07010	0.7
153.09068	0.5
154.09731	0.7
158.01280	0.5
163.03902	100.0
163.11128	0.9
164.04257	3.3
164.08180	0.7
164.10634	0.3
166.06252	1.3
181.01488	0.4
181.03596	0.4
181.04951	4.2
181.06583	1.2
181.08585	4.5
181.10791	1.6
181.12260	1.1
181.14217	0.3
182.00999	0.4
182.08128	0.8
186.05467	0.7
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
51.02385	0.7
53.03940	5.7
55.01871	8.8
55.05508	29.3
57.03437	2.9
57.07073	2.0
59.04987	1.2
65.03945	4.6
67.05502	100.0
68.05827	1.3
69.03426	2.3
69.07067	15.1
69.53403	5.7
71.04990	2.6
73.06557	1.3
74.87093	0.7
79.05492	62.6
80.05829	0.7
81.03028	0.5
81.03417	20.8
81.07056	86.6
82.07379	2.1
83.04980	36.1
83.08615	13.2
85.06550	3.4
88.35197	0.6
91.05479	56.5
92.05792	1.5
93.07043	43.0
94.06606	0.8
94.07373	1.8
95.04974	14.9
95.08604	65.2
96.08929	1.3
97.06527	32.1
97.10176	3.0
98.21474	1.5
99.08090	2.3
105.03412	1.3
105.04536	1.1
105.07031	27.0
107.08584	10.5
109.06529	6.7
109.10160	11.3
111.08076	6.8
113.09646	5.4
115.05456	0.7
117.03414	0.7
117.07011	2.5
119.04957	2.0
119.08579	30.5
121.10137	5.0
123.04440	6.1
123.08070	3.5
131.08563	2.1
133.02866	6.5
133.06567	0.7
133.10132	15.8
135.04442	0.8
135.11653	4.8
137.09612	2.1
145.62515	0.6
147.04419	2.9
151.03920	1.9
151.07565	0.7
158.61606	0.6
159.11629	0.9
161.05989	2.1
161.13249	13.3
163.07504	0.7
179.03412	16.4
179.06401	2.3
179.10744	1.5
179.14310	39.6
180.03737	0.6
180.06525	0.9
180.14659	1.4
188.52794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03944	5.0
55.01869	8.2
55.05510	28.1
57.03437	2.7
57.07072	2.6
59.05009	1.0
65.03944	3.9
67.05505	100.0
68.05843	1.8
69.03430	2.2
69.07066	15.1
71.04987	2.2
71.51070	1.0
73.06535	0.5
76.09977	0.5
77.03918	0.6
79.05493	63.7
80.05833	1.5
81.03419	20.5
81.07056	83.1
82.07382	1.5
83.04980	31.7
83.08614	12.6
85.06545	3.1
91.05481	51.8
92.05812	1.2
93.07044	40.1
94.06561	1.1
94.07426	0.8
95.04971	13.2
95.08606	68.7
96.08948	1.2
97.06531	30.9
97.10171	4.2
99.08098	2.1
99.18060	0.6
103.05437	0.8
105.04504	1.2
105.07029	24.8
106.07363	0.8
107.08595	10.9
109.06520	6.6
109.10156	12.4
111.08082	8.0
113.09659	6.8
117.06998	1.7
117.14758	0.5
119.04942	1.9
119.08582	31.3
121.10143	5.5
123.04429	5.1
123.08044	4.5
123.11758	1.0
131.08583	1.2
133.02841	4.4
133.06488	0.9
133.10138	16.5
135.04408	0.7
135.11690	7.2
137.05992	0.8
137.09616	2.8
147.04356	2.5
151.03912	1.1
159.11720	1.1
161.05998	1.4
161.13257	12.6
164.03880	0.7
179.03391	13.1
179.06822	1.0
179.10712	2.0
179.14310	35.9
180.14676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	2.3
55.01863	5.2
55.05513	19.9
56.96559	1.2
57.03439	5.6
57.07080	6.5
65.03935	2.7
67.05505	92.2
68.05794	1.8
69.03421	8.7
69.06723	1.5
69.07070	15.3
69.95240	7.5
71.04993	7.3
79.05493	25.7
81.03412	7.6
81.07057	61.4
83.04968	4.9
83.08596	3.0
85.06539	2.2
91.05489	20.6
93.07047	28.2
93.07629	2.0
94.06575	2.4
95.04968	23.9
95.08605	100.0
97.06515	3.7
105.04510	1.8
105.07020	18.4
107.04981	2.6
107.08592	16.2
109.06515	14.8
109.10155	47.8
117.07019	1.6
119.04947	2.8
119.08586	19.5
121.10165	5.9
123.04436	8.0
123.08070	19.3
123.11720	2.9
131.08511	1.6
133.02844	5.5
133.06479	1.8
133.10124	7.8
135.04396	1.2
135.11722	6.6
137.09619	21.3
137.13240	2.9
147.04393	2.5
151.03938	1.8
151.11198	1.8
151.14792	9.8
161.05984	2.7
161.13243	8.5
163.07468	1.2
179.03368	17.3
179.06436	1.9
179.10728	2.1
179.12724	2.7
179.14311	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	1.9
55.01870	4.3
55.05512	10.8
56.96569	4.5
57.03440	6.9
57.07082	2.5
59.04977	0.7
65.03939	2.4
65.29545	0.8
67.05507	50.7
69.03423	3.9
69.07069	12.9
71.05000	3.2
71.20130	1.7
71.56202	0.8
72.10517	0.6
72.21863	0.7
77.03925	1.1
79.05495	33.1
79.05969	1.7
81.03416	1.7
81.07059	100.0
82.07391	1.6
83.04980	11.1
83.08628	7.9
85.06546	8.1
91.05482	35.7
92.05836	1.0
93.07045	36.0
94.06607	0.9
94.07378	0.9
95.04989	8.4
95.08610	72.1
96.08965	1.9
97.06528	14.7
97.10179	1.0
97.31512	0.7
99.08084	8.4
103.05456	0.9
105.03400	1.8
105.07035	34.6
106.07340	1.3
107.04977	1.9
107.08596	13.8
109.06516	8.3
109.10149	8.8
111.08085	6.7
113.09660	2.1
117.07008	2.8
119.04935	5.0
119.08581	45.6
121.06530	2.4
121.10150	11.9
123.04435	9.9
123.08088	8.8
126.05104	0.8
131.08559	1.3
133.02826	7.0
133.06487	1.9
133.10132	29.2
134.10568	0.8
135.04419	2.2
135.11697	17.8
136.05180	1.7
136.11996	1.0
137.09604	4.8
137.13251	1.9
138.06693	1.8
147.04411	6.2
147.08035	1.3
149.05992	1.1
151.03914	2.6
151.07562	9.0
151.11197	1.8
151.14879	0.9
161.05975	2.9
161.09669	1.2
161.13258	54.2
162.09204	0.8
162.13597	2.0
164.04018	0.8
164.08301	2.2
175.02757	1.0
179.01830	1.2
179.03398	19.7
179.06799	3.0
179.10754	5.7
179.14316	63.0
180.14653	2.1
193.03883	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.40934	0.7
51.02369	1.0
53.03940	2.2
55.01871	5.5
55.05508	9.0
55.15112	0.8
56.96552	2.0
57.03433	6.9
57.07056	2.3
57.21175	0.9
62.14557	0.8
65.03936	2.4
66.86699	0.9
67.05500	47.4
69.03426	3.2
69.07072	10.7
69.33421	0.9
69.33756	8.7
71.04997	4.6
77.03943	0.9
78.15180	0.7
79.05487	30.8
81.03410	1.7
81.07053	100.0
82.07389	2.3
83.04981	7.8
83.08608	3.8
85.06540	10.0
89.03894	0.9
90.74189	0.8
91.05476	38.0
92.05768	1.5
93.07040	37.3
94.06559	2.7
94.07371	1.5
95.04977	7.1
95.08601	74.8
96.08944	1.4
97.06534	18.3
98.21484	1.9
99.08093	10.8
103.05476	1.3
105.03368	1.7
105.07026	39.4
106.07367	1.7
107.04935	1.4
107.08590	19.3
109.06505	9.6
109.10159	7.3
111.08098	6.7
113.09539	0.9
117.07000	2.4
119.04963	7.4
119.08578	55.0
120.08910	1.6
121.06561	1.1
121.09315	1.2
121.10137	15.4
123.04422	10.4
123.08064	10.2
123.11693	1.1
131.08594	1.4
133.02815	6.7
133.06464	1.6
133.10124	33.8
134.06807	1.3
134.10500	1.8
135.04388	1.2
135.11690	28.5
136.12013	1.0
137.05995	0.9
137.09608	5.4
137.13257	2.7
147.04405	9.0
151.03879	2.6
151.07497	1.0
151.11168	2.5
161.05981	1.8
161.13251	76.0
162.09167	0.8
162.13641	2.2
179.03392	18.3
179.07094	4.1
179.08304	1.1
179.10724	3.0
179.14302	78.3
180.14658	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03931	3.0
55.01862	4.2
55.05266	1.5
55.05510	20.4
56.45454	1.1
56.96559	3.0
57.03423	4.7
57.07082	7.8
58.59690	0.8
58.90765	0.9
59.04987	1.8
65.03931	3.6
67.05505	70.6
69.03429	5.2
69.07064	16.7
70.89314	1.5
70.89679	2.0
71.04990	5.2
73.99617	1.1
77.03879	1.3
78.48390	1.1
79.05063	1.7
79.05492	28.2
80.05826	1.2
81.03397	3.7
81.07056	100.0
81.10732	1.0
83.04957	4.2
83.08608	5.8
85.06507	3.5
85.10154	1.9
91.05477	23.2
93.06470	2.0
93.07038	30.4
94.06546	1.1
95.04366	1.5
95.04966	28.0
95.08604	87.3
96.08913	2.1
97.06536	6.2
99.94891	1.2
105.03382	1.3
105.07036	27.9
107.04955	1.4
107.08583	15.5
108.04449	1.2
109.06519	22.3
109.10156	31.6
111.08077	3.0
117.07008	2.2
119.04921	4.5
119.08575	21.4
120.04466	2.8
121.06485	3.8
121.10130	9.5
123.04445	11.6
123.08067	27.5
123.11713	1.8
131.08510	1.2
133.02867	7.5
133.06488	2.3
133.10136	11.4
134.06013	2.9
135.04419	2.7
135.11687	5.4
137.09605	11.3
137.13220	1.0
146.03596	1.2
147.04399	4.4
151.03899	2.5
151.11172	2.4
151.14806	4.9
157.77437	1.0
159.11623	1.4
161.06004	2.4
161.09633	1.8
161.13255	13.6
179.03386	26.0
179.06856	3.2
179.09201	1.0
179.10681	4.5
179.14305	38.5
180.03757	1.3
180.14635	1.4
188.70457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1179
Annotation	Oxynicotine
Peak:m/z	Relative Intensity
51.02389	0.3
52.08449	0.1
52.24552	0.1
53.03948	1.8
55.01864	0.3
60.08165	5.5
67.05499	0.5
69.88752	0.6
75.66740	0.1
75.67558	0.1
77.03912	0.6
79.05499	0.4
81.03429	0.2
81.07062	0.5
86.06079	0.4
88.48743	0.1
89.03962	0.1
91.05472	0.7
92.04994	1.2
93.05795	0.5
93.07040	0.1
94.06568	100.0
95.04967	4.7
95.06288	0.2
95.06893	2.3
95.08601	0.4
105.04509	0.9
105.07029	0.3
109.06488	0.2
115.71675	0.1
119.04927	0.8
119.08572	0.2
120.04462	1.9
121.06470	0.1
123.04422	1.8
123.08027	0.2
123.11695	0.1
123.99033	0.1
133.02840	0.5
133.06496	0.1
133.10133	0.3
137.06129	0.1
137.07101	3.6
144.01744	0.1
147.04420	1.0
151.03886	0.6
161.05975	0.2
161.09593	0.1
161.13289	0.2
164.02463	0.1
179.03395	1.6
179.06996	0.3
179.11800	11.7
180.12119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03952	2.0
53.56584	0.2
55.01871	0.7
55.05511	0.3
60.08163	5.4
67.05508	1.1
68.05023	0.2
69.39234	2.0
77.03921	0.6
79.05489	0.4
81.03385	0.3
81.07068	1.0
82.84681	0.2
86.06071	0.5
89.14172	0.2
91.05476	1.3
92.05013	1.2
93.05772	0.6
93.07051	0.4
94.06566	100.0
95.04965	5.3
95.06338	0.4
95.06893	1.9
95.08602	0.8
105.04514	0.8
105.07006	1.1
117.03404	0.2
119.04933	1.4
119.08593	0.4
120.04463	1.9
123.04424	3.7
123.08072	0.3
133.02840	0.9
133.06474	0.4
133.10118	0.6
135.04419	0.4
137.06050	0.3
137.07079	3.6
137.08128	0.3
137.09618	0.2
147.04405	1.3
151.03877	1.1
151.07538	0.3
161.05948	0.5
161.13219	0.3
179.03395	3.2
179.06834	0.4
179.11801	11.2
179.14326	0.6
180.12141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
55.01858	0.9
55.05501	0.6
56.96556	0.8
65.03926	2.3
67.05495	2.2
69.07053	0.9
70.03358	1.8
72.96220	0.3
74.14245	0.3
79.05486	1.3
80.28825	0.3
81.07053	2.7
83.04969	0.7
83.08638	0.5
89.03883	0.4
91.05476	33.6
92.05810	0.6
93.03389	1.3
93.07037	1.0
94.06568	0.8
95.04959	1.5
95.08589	2.4
97.06516	0.4
98.20818	0.4
103.05439	0.6
105.03349	0.5
105.07025	1.8
106.95536	0.4
107.04906	0.4
107.08576	0.5
109.06493	0.6
109.10139	0.5
115.05484	0.4
119.04934	100.0
119.08578	1.2
120.05251	2.7
123.04423	3.2
123.08054	0.8
124.59785	0.3
133.02820	2.8
133.06468	0.5
133.10121	1.4
135.04408	0.6
135.11775	0.7
136.05244	0.5
137.05885	0.5
147.04399	98.5
148.04745	3.1
151.03886	0.8
151.07553	1.2
161.06006	0.8
161.09535	0.8
161.13251	0.9
164.04866	0.4
164.06456	0.4
174.97050	0.3
179.03479	7.2
179.07027	56.6
179.10515	1.5
179.14270	1.5
180.07318	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.60689	0.3
55.01862	0.6
55.05505	0.9
56.96553	0.8
57.03424	0.4
65.03936	2.6
67.05510	2.1
68.79519	0.3
69.03416	0.4
69.07076	0.7
69.77766	2.3
77.03892	0.4
79.05470	1.2
81.03442	0.6
81.07062	2.1
83.04986	0.5
87.06284	0.4
91.05481	32.4
92.05798	0.9
93.03400	1.6
93.07035	1.4
94.06557	0.5
95.04995	2.1
95.08609	2.6
98.21415	0.5
103.05445	0.6
105.03371	0.7
105.07030	2.3
107.04967	0.6
107.08584	1.0
109.06525	0.9
109.10141	0.9
118.04145	0.4
119.04940	100.0
119.08557	1.6
120.05264	2.4
121.06535	0.6
123.04430	4.5
123.08051	0.6
133.02863	2.5
133.06479	0.6
133.10130	1.4
135.04417	1.3
135.11684	0.7
136.05234	0.4
137.05956	0.5
137.09645	0.6
142.06209	0.3
147.04407	95.0
148.04724	2.6
151.03792	0.8
152.07088	0.4
159.11743	0.4
161.05968	1.0
161.09651	0.7
161.13254	0.8
164.04774	0.5
164.13132	0.4
173.26389	0.4
179.03470	8.2
179.07037	56.3
179.10493	1.2
179.14317	1.4
180.07355	1.7
188.07082	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48876	2.6
54.03458	3.3
55.01860	11.7
55.05499	4.8
56.05027	5.3
56.96563	46.4
57.07066	9.5
58.99856	4.2
67.02987	2.7
67.05492	9.9
67.28867	2.4
68.05028	15.1
69.03417	5.1
69.04542	7.1
71.04995	2.6
71.16668	5.9
77.00916	7.2
79.05491	8.9
81.04531	5.4
81.07033	10.1
82.05297	3.7
83.06103	9.3
89.03884	3.2
91.05470	19.4
93.07051	6.1
94.05296	3.3
94.06531	6.7
95.04954	9.2
95.06084	30.0
95.08594	6.7
97.03987	3.2
97.06413	3.2
100.02484	15.8
101.00885	6.4
103.02443	3.9
103.05488	3.9
105.03371	4.8
105.07016	17.1
107.04956	4.0
107.08553	4.2
108.04469	4.0
109.06476	4.9
109.10147	4.2
110.07121	5.9
116.01944	3.6
118.03506	25.9
119.01925	100.0
119.04933	15.5
119.08565	7.1
120.02048	6.5
120.05564	6.3
121.01655	5.3
121.06490	7.6
122.07157	4.4
123.04414	23.6
123.05496	3.6
123.08051	3.5
124.08732	3.6
128.01906	7.7
133.02756	10.7
133.03493	17.7
133.04575	5.9
133.06496	8.4
133.10124	11.4
134.02979	38.9
134.06017	3.7
134.07095	7.1
134.99707	6.4
135.04387	4.6
136.04581	9.1
136.08812	3.6
137.02966	57.3
137.05962	5.1
137.08229	34.0
137.09457	4.9
138.03069	3.9
138.06577	4.6
138.51736	3.5
139.02663	5.6
139.07440	6.6
142.03487	7.7
147.04327	20.5
149.06577	5.8
151.04677	15.1
151.07512	3.0
151.11128	5.3
152.04080	7.8
152.08165	8.1
153.00798	4.1
155.99655	11.3
156.03230	5.9
156.05054	13.8
156.97469	10.9
157.03458	6.2
157.04594	17.2
159.52190	3.9
161.02968	12.0
161.05946	12.9
161.08229	4.5
161.09596	8.7
161.13338	3.7
162.06506	4.5
173.02791	3.1
174.00774	50.0
174.02394	5.3
174.02715	4.3
174.03215	2.9
174.04231	17.6
174.06137	5.9
174.98555	11.6
175.02676	2.7
179.00815	5.7
179.03317	59.2
179.06383	13.8
179.09251	13.4
179.10689	21.0
179.12921	2.8
179.14340	5.8
179.99113	4.3
192.01791	8.8
192.05287	8.5
197.02716	3.2
198.00287	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	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.74544	0.3
62.79437	0.3
68.26738	0.3
70.75005	0.8
70.75342	0.7
79.05472	0.4
80.04990	0.7
86.20036	0.4
90.04259	0.4
91.05492	0.6
93.05807	0.5
93.07044	0.7
94.06547	0.4
105.07025	0.6
106.06534	0.4
107.08596	0.9
115.05460	0.3
117.03311	0.4
117.07009	1.5
118.03703	1.0
118.06537	11.1
119.07321	10.7
123.04424	0.9
132.08083	0.8
133.02847	1.7
134.09648	75.9
135.09996	2.2
137.95348	0.3
146.03192	1.1
150.03003	0.3
151.03917	0.7
160.11247	1.0
162.09151	2.5
163.09901	1.5
178.12268	100.0
179.03358	2.2
179.12636	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03942	4.4
55.01872	1.2
55.05509	15.9
55.48769	0.9
57.07057	2.7
65.03921	2.7
67.05502	46.1
68.90937	0.8
69.07059	13.4
69.70981	3.6
69.71388	2.3
71.08621	1.0
78.04702	1.7
79.05491	67.4
80.05813	1.5
81.03383	1.1
81.07056	41.3
82.07361	1.2
83.08612	10.8
89.03918	21.1
91.05477	24.0
92.05763	1.2
93.07040	87.7
94.07374	1.8
95.04971	8.3
95.08605	51.0
96.08948	1.0
97.06510	1.0
97.10157	2.2
98.34295	1.1
98.98464	33.4
102.46529	1.0
103.05491	2.1
105.07033	9.2
106.04176	1.1
106.06575	1.0
107.05004	2.2
107.08589	50.1
108.08940	1.8
109.06506	3.3
109.10161	17.5
112.76450	1.0
116.99453	1.7
117.03379	29.8
117.07001	6.2
118.03688	1.3
119.08561	5.2
121.02895	1.5
121.06550	5.1
121.10137	100.0
122.10467	3.2
131.04962	1.5
131.08557	9.5
132.08049	1.3
133.10150	7.3
134.03622	5.4
135.04379	4.0
135.08055	3.8
135.11684	33.9
136.11972	1.5
136.71367	1.0
145.02837	28.8
146.03152	1.4
149.02301	6.4
149.05981	11.8
149.09555	2.3
149.13268	5.5
150.05481	1.0
159.08034	2.3
159.11676	8.8
162.03139	4.0
163.03906	2.3
177.05417	14.7
177.09079	6.2
177.12756	22.4
177.16376	37.3
178.04988	1.1
178.08582	1.2
178.16837	1.4
186.05498	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03941	1.8
55.01877	1.1
55.05507	10.4
57.07064	1.3
65.03941	1.0
67.05499	7.2
67.09800	0.7
69.07065	27.4
69.40538	0.5
70.07406	0.5
70.87836	1.1
70.88206	1.2
78.04713	2.2
79.05489	14.2
81.03384	0.5
81.07054	13.1
83.08144	0.8
83.08616	14.7
89.03912	13.8
91.05473	14.0
91.05953	0.3
93.07037	37.5
95.04971	2.9
95.08604	33.8
97.10149	1.5
98.98458	9.9
103.05467	2.8
105.04530	0.7
105.07025	11.2
106.04172	6.6
106.07842	0.7
107.04970	0.8
107.08586	69.5
108.08897	1.0
109.06504	2.7
109.10155	12.7
115.05448	0.9
117.03373	17.5
117.07008	3.8
118.06497	0.5
119.06117	0.6
119.08591	3.4
121.06519	5.0
121.10136	100.0
122.10387	2.7
123.08051	1.7
123.11657	0.8
131.04872	0.6
131.08554	2.4
133.10121	1.6
134.03622	3.2
135.04395	2.1
135.08096	0.8
135.11687	16.1
136.12048	0.5
145.02835	18.7
145.03986	1.1
145.06497	2.1
146.03152	0.7
146.07217	0.6
149.02299	1.3
149.05965	9.8
149.09644	1.5
149.13239	5.9
159.08064	1.1
159.11702	1.7
162.03146	2.9
163.03896	0.9
177.05452	10.2
177.09091	5.8
177.12912	3.6
177.16374	39.2
178.16652	1.6
186.05498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.09532	0.4
53.03941	1.9
55.01855	1.1
55.05510	12.9
56.96543	0.5
57.07079	2.4
60.27835	0.4
63.02357	0.5
65.03931	1.5
67.05505	7.3
69.03436	0.9
69.07068	30.9
69.40767	3.0
69.41175	1.3
70.07416	0.9
71.08637	0.7
78.04699	2.0
79.05495	15.3
81.03417	0.6
81.06577	0.9
81.07057	14.4
83.08618	15.1
83.09117	1.0
89.03922	15.8
90.04272	0.6
91.05479	13.9
93.07043	34.2
95.04977	3.0
95.08605	33.3
97.06512	0.5
97.10178	2.9
98.21442	0.9
98.98463	9.6
103.05450	2.9
103.56752	0.5
105.03413	0.9
105.04515	0.6
105.07033	12.1
106.04166	3.1
107.04968	1.0
107.08594	76.4
108.08912	1.4
109.06520	2.0
109.10155	14.2
110.10465	0.6
112.95744	0.5
115.05431	0.9
117.03381	20.6
117.07013	2.1
117.49709	0.5
118.03674	0.8
119.04934	0.6
119.06065	0.6
119.08571	3.7
121.02844	0.7
121.06556	5.1
121.10141	100.0
122.05116	0.5
122.10398	2.5
123.08080	1.2
124.05120	0.5
131.04944	1.3
131.08562	2.8
133.10139	1.9
134.03632	4.2
134.10902	0.5
135.04446	2.8
135.08049	1.4
135.11691	19.6
145.02846	23.9
145.06516	0.5
146.03130	1.1
146.07233	3.5
147.08057	1.1
149.02353	1.8
149.05983	8.7
149.09602	1.4
149.13268	5.8
159.08044	1.0
159.11703	2.4
162.03122	2.7
162.06818	0.8
163.03920	1.0
177.05464	11.2
177.06841	0.8
177.09091	10.1
177.10405	0.8
177.12880	3.2
177.16386	39.1
178.16701	1.6
186.05524	0.8
189.39476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03942	3.5
55.01844	1.5
55.05267	1.2
55.05515	17.4
57.07067	3.1
59.52467	0.8
65.03938	2.0
67.05508	47.5
69.07066	13.6
71.08620	0.9
71.59251	1.4
78.04688	1.1
78.83316	0.8
79.05495	70.8
80.05820	1.2
81.07059	43.5
83.04955	0.8
83.08628	9.0
89.03918	11.1
89.04433	1.6
91.05482	21.6
93.07046	87.0
94.07366	1.0
95.04968	9.3
95.08611	54.0
96.08923	1.0
97.06528	2.2
97.10168	2.7
98.98463	18.8
103.05496	1.1
105.04505	0.9
105.07030	8.6
107.04955	2.2
107.08599	48.2
109.06509	3.5
109.10159	20.6
116.99581	1.1
117.03377	15.7
117.07039	4.3
119.08573	3.8
121.06493	1.9
121.10143	100.0
122.10477	3.2
123.11725	0.9
131.04880	0.8
131.08575	6.7
131.26529	0.9
133.10138	6.2
134.03641	2.8
135.04416	1.7
135.08049	2.3
135.11696	36.0
136.12021	0.8
145.02852	16.7
149.02356	4.3
149.05978	7.1
149.09656	1.1
149.13275	6.6
159.08052	1.4
159.11694	8.6
160.07562	1.2
162.03151	1.6
163.03899	1.7
177.05463	7.2
177.09099	1.8
177.12753	17.2
177.16394	39.8
178.04921	1.1
178.08618	1.8
178.16859	1.5
186.05589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02378	1.2
53.00268	1.3
53.03947	5.4
55.01874	5.2
55.05510	25.1
56.05820	0.9
56.96537	2.1
57.03442	8.0
57.07064	3.0
57.16386	1.1
57.89459	0.9
59.05010	1.2
61.26215	1.0
65.03931	3.0
67.05499	17.6
69.03424	8.3
69.07067	31.9
69.95815	5.0
71.04980	5.1
77.03930	1.3
78.04697	1.9
78.87993	1.0
79.05492	56.6
80.50163	1.0
81.03413	1.4
81.06583	2.0
81.07058	38.6
83.04985	7.7
83.08614	10.7
85.06523	3.1
89.03483	1.1
89.03921	12.3
91.05479	55.5
92.05791	1.6
93.07042	100.0
94.06605	0.9
94.07346	2.4
95.04969	16.6
95.08054	1.4
95.08606	18.5
97.06548	5.0
98.97867	1.2
98.98471	16.9
103.05482	5.4
104.06265	1.2
105.07027	52.0
106.04159	2.3
107.04958	12.7
107.08592	66.4
108.08929	1.4
109.06517	15.5
109.10122	3.1
115.05466	5.4
116.06239	2.3
117.03373	18.4
117.06221	2.1
117.07019	34.3
119.04926	1.4
119.08572	22.6
120.08939	0.9
121.06504	26.7
121.10138	26.0
121.11013	1.0
122.07307	2.4
123.08052	3.5
124.05154	1.1
129.07021	11.2
130.07806	6.7
131.04933	1.0
131.08563	43.9
132.08920	2.2
133.06500	13.4
133.10138	13.6
134.03604	3.4
135.04384	3.3
135.08052	23.5
135.11668	11.1
142.07784	1.3
144.09337	12.8
145.02831	19.1
145.06403	1.4
147.08020	2.1
148.08832	2.4
149.02379	2.2
149.05995	8.4
149.09612	5.3
149.13257	17.7
150.13589	1.5
151.07529	2.6
157.10130	1.5
159.08069	1.3
159.11688	38.4
160.11974	1.3
162.03149	1.8
175.10938	1.1
177.05493	9.3
177.09180	5.9
177.12743	66.0
177.16194	5.0
178.12173	11.1
195.49815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
53.40207	1.0
55.01867	5.0
55.05264	1.1
55.05507	10.2
56.96564	6.1
57.03421	1.2
65.03922	4.1
67.05502	38.3
67.41167	1.0
68.99757	1.5
69.03421	2.1
69.07064	13.3
69.14516	1.0
71.04979	2.5
71.58851	1.3
77.03918	2.0
78.04707	6.5
79.05491	50.1
80.05025	1.1
80.05820	1.5
80.79696	1.0
81.03407	1.9
81.07056	51.9
82.36709	0.9
83.04972	6.4
83.08617	13.9
85.06522	1.5
89.03912	40.2
89.09599	0.9
90.04248	2.1
91.05477	63.9
92.05791	2.4
93.03406	1.7
93.07040	100.0
94.07382	1.5
95.04966	21.5
95.08602	23.3
97.06522	10.1
98.98462	33.8
99.08075	2.4
103.05458	6.1
105.03381	1.7
105.06310	1.5
105.07024	24.0
106.04169	10.0
107.04961	6.1
107.08587	36.8
108.05252	1.2
109.06508	6.5
109.10149	5.4
111.08060	1.8
115.05433	3.6
116.99463	2.1
117.03374	60.7
117.07016	29.0
117.07847	1.6
118.03687	2.3
119.04913	1.1
119.08569	8.3
121.02853	2.9
121.06500	16.0
121.10137	35.1
121.11036	1.7
122.10476	2.0
129.06990	3.8
130.04573	0.9
131.04915	2.9
131.08572	36.6
133.06480	1.5
133.10132	21.2
134.03619	11.5
135.04427	11.1
135.08060	7.3
135.11671	12.2
144.09315	2.0
145.02841	60.1
146.03197	2.8
147.04448	2.1
147.08047	1.2
149.01208	2.6
149.02345	6.9
149.05978	25.7
149.09593	7.2
149.13248	10.2
150.06306	1.8
153.93756	1.0
158.05972	1.9
159.08057	4.7
159.11691	46.1
160.12042	2.4
162.03127	6.7
162.06743	1.6
163.03893	3.6
163.51416	1.0
177.05446	33.5
177.09058	11.8
177.12740	58.6
177.16322	13.0
178.04961	2.0
178.08527	2.7
178.13144	2.0
186.05490	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03931	4.2
55.01875	8.0
55.05515	9.7
56.96546	2.3
57.03415	2.8
57.07053	1.2
65.03932	2.3
67.05505	39.0
68.05824	1.8
69.03419	1.7
69.07063	15.2
77.03999	1.2
78.04690	2.0
79.05491	57.6
80.05827	2.4
81.03407	5.2
81.07054	56.9
82.07372	1.0
83.04972	6.5
83.08610	7.5
85.06559	1.7
89.03909	19.2
91.04890	1.7
91.05478	53.2
93.07040	79.0
94.07393	2.0
95.04973	19.4
95.08049	1.9
95.08604	25.6
97.06535	15.0
98.98463	38.5
103.05446	3.4
105.07026	34.6
106.04187	1.2
107.04935	5.5
107.08591	39.3
109.06511	7.5
109.10133	4.8
111.08060	5.5
113.79266	1.1
115.05435	2.9
116.06274	1.4
116.99480	2.2
117.03385	28.5
117.06225	1.7
117.07016	32.7
119.08559	8.5
120.33739	1.1
121.06509	9.8
121.10139	37.2
122.10478	1.5
123.08038	2.1
129.06992	2.4
130.06522	1.1
130.07742	1.7
131.08560	39.1
132.08943	1.7
133.06464	2.1
133.10129	43.3
134.03604	4.8
135.04395	4.7
135.08060	14.7
135.11685	14.6
144.09322	3.4
145.02840	31.4
146.03181	1.9
149.02269	5.9
149.05974	13.1
149.09627	6.2
149.10605	1.1
149.13249	19.4
150.13565	1.6
157.10144	1.8
158.06073	1.1
159.11690	55.8
160.12048	2.0
162.03116	1.2
162.10378	1.2
163.03850	1.9
177.05472	15.6
177.09125	5.2
177.12740	100.0
177.16226	11.1
178.04944	2.0
178.08566	1.2
178.13058	4.1
182.09093	1.2
186.05508	1.8
187.43991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
61.79758	1.7
68.99761	2.7
69.03407	3.1
70.87954	5.8
71.01358	1.8
72.27696	1.8
83.01334	6.0
86.42863	1.7
91.05463	9.2
93.07037	3.8
96.39893	2.1
97.02883	5.8
98.98483	4.5
100.85063	1.7
107.04903	2.5
107.08578	3.3
108.05606	1.8
109.06514	10.0
110.07124	3.0
111.02226	1.9
116.06261	2.0
121.06505	56.3
121.10120	4.8
131.08566	10.5
135.25594	1.8
136.08699	6.9
137.05975	4.4
137.08228	2.5
137.09444	3.1
138.24571	1.8
144.05785	2.3
145.02879	4.7
147.04285	2.2
149.09625	38.2
150.10106	3.2
157.56004	2.0
159.08028	8.3
162.06749	12.0
173.32487	1.9
177.09100	100.0
177.11414	5.5
178.09474	2.2
178.10852	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03951	0.9
55.01881	0.5
55.05512	0.9
60.58127	0.4
63.02377	1.6
65.03946	0.5
65.99275	0.4
67.05495	1.0
69.07066	1.9
71.15643	0.8
78.04703	5.5
79.05495	1.8
81.07062	1.5
83.08610	1.4
89.03915	57.1
90.04250	1.2
91.05473	5.9
93.07037	4.3
95.04970	1.7
95.08612	2.4
98.98450	2.3
103.05459	2.2
105.03401	0.9
105.07058	1.1
106.04175	6.1
107.08590	5.6
109.10148	0.8
117.03377	92.1
118.03680	2.9
119.04950	1.5
121.06488	1.8
121.10141	7.8
124.05202	1.6
131.08525	0.9
134.03630	10.7
135.04428	6.8
135.11679	1.3
145.02841	100.0
146.03203	3.3
146.72977	0.4
149.05977	26.7
149.13264	0.5
150.06303	0.7
155.25674	0.4
158.05992	1.2
159.11687	0.8
162.03082	1.3
163.03844	1.5
177.05461	20.5
177.08990	1.0
177.12749	0.9
177.16356	3.3
186.05502	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.25329	0.4
51.25958	0.4
53.03954	1.2
55.01880	0.5
55.05514	2.7
57.00391	0.5
57.07087	0.7
59.84538	0.4
63.02384	1.6
65.03951	0.5
67.05496	1.7
69.07062	5.0
70.01730	1.7
70.02133	1.1
78.04708	4.2
79.05502	4.0
81.07061	3.3
83.08610	3.0
89.03915	53.8
90.04237	1.1
91.05476	6.4
93.07044	9.4
95.04971	2.2
95.08604	8.2
97.10167	0.6
98.97485	0.5
98.98463	2.7
102.62131	0.5
103.05462	2.7
105.03392	1.3
105.07024	2.0
106.04181	3.2
107.07876	0.8
107.08598	13.5
107.09303	1.1
109.10136	3.1
117.03376	85.4
118.03699	3.0
119.04942	0.7
119.08662	0.5
121.06522	2.2
121.10133	21.7
124.05195	1.0
129.04494	0.6
131.04945	1.0
131.08557	0.9
134.03629	10.9
135.04425	7.4
135.11688	4.5
136.18729	0.5
143.42078	0.5
145.02841	100.0
146.03152	3.4
146.07271	0.8
149.05977	28.6
149.13310	1.6
150.06387	0.5
158.06061	0.8
159.11603	0.6
159.50533	0.5
162.03151	2.7
162.04236	0.5
163.03918	2.2
177.05472	22.5
177.09090	2.2
177.16386	8.8
178.05884	0.7
186.05559	2.2
186.51906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03940	0.8
54.45814	0.5
55.01877	1.0
59.56151	0.5
63.02380	2.0
65.03940	0.5
67.05485	0.5
69.30953	5.5
77.03928	0.7
78.04703	4.6
79.05490	1.1
84.29273	0.5
89.03913	65.6
90.04238	1.5
91.05469	5.9
93.07040	1.8
95.04956	1.9
95.08612	0.7
95.73354	0.5
98.98458	4.1
103.05480	2.2
105.03416	1.1
105.07031	0.8
106.04173	4.5
107.04997	0.6
107.08600	1.7
117.03373	91.8
118.03680	2.9
119.04913	0.8
119.08525	0.7
121.06485	2.4
121.10094	2.7
124.05215	1.6
129.04466	0.7
129.54082	0.5
131.08527	0.9
134.03632	12.9
135.04422	9.9
145.02837	100.0
146.03186	2.7
149.02373	0.9
149.05972	30.7
150.06322	1.4
158.06012	0.8
162.03117	3.6
163.03899	4.5
177.05461	25.3
177.12746	0.6
177.16412	1.0
178.05878	0.7
186.05486	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37268	2.3
56.96293	3.9
56.96566	68.5
69.03403	2.5
69.66695	4.1
69.67096	14.8
71.95248	3.1
89.03917	10.2
91.05480	3.6
91.90147	2.4
98.20749	4.2
98.97586	86.9
98.98440	5.6
116.98623	100.0
117.03379	12.4
119.01933	9.3
121.01679	7.7
121.10153	2.5
123.03234	3.7
131.01933	20.0
134.99666	88.5
135.03218	11.2
135.04131	2.2
137.02963	5.7
145.02834	11.8
149.02910	4.0
149.05972	5.8
153.00720	18.5
153.04161	3.4
154.03490	9.6
158.01250	4.7
161.75894	2.4
172.01535	3.1
172.04564	6.4
172.94217	16.7
173.02985	9.9
177.00920	8.7
177.04263	9.4
190.95323	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	176.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01615	0.6
56.05022	1.3
56.96567	10.8
57.93555	2.0
58.99854	0.8
59.06116	1.8
60.04507	0.9
65.03936	1.0
69.02424	0.7
70.56625	2.3
71.95245	1.5
74.42580	0.7
75.05608	0.8
77.00907	1.4
89.03903	3.2
98.97573	15.0
98.98457	14.1
100.02486	1.3
101.00903	1.0
102.96851	1.1
103.02427	1.2
103.05475	0.7
104.02525	1.9
105.07021	0.8
116.01939	9.6
116.97266	10.3
116.98615	24.4
116.99416	0.9
117.03381	4.3
118.03521	7.1
119.01922	20.2
120.02026	4.7
120.03238	1.0
120.08086	1.1
120.08894	1.0
120.97916	1.0
121.00864	1.0
121.01675	14.0
121.02437	0.8
121.06496	1.3
122.03570	2.3
130.06520	1.5
131.01927	3.8
131.99493	1.8
133.03482	1.5
134.02975	100.0
134.04770	6.9
134.99663	46.3
135.03229	5.5
135.04164	1.2
136.00002	0.9
136.02652	1.5
136.04524	4.0
137.02985	13.8
137.03998	1.5
138.03047	3.2
138.04216	1.2
138.98927	2.4
139.02669	8.0
139.03546	1.1
140.00125	0.8
141.04088	0.9
142.03502	3.0
145.02757	4.5
146.03673	0.9
147.52016	0.8
148.04601	0.8
148.07520	0.9
148.96133	1.4
149.02394	1.3
149.03557	1.3
149.05977	1.7
150.06064	0.8
152.02246	5.0
152.03992	26.5
152.05704	5.4
152.96893	3.9
153.00705	12.6
153.04134	2.1
154.03468	1.3
156.99994	1.1
157.03441	0.9
157.04535	3.9
158.01234	3.3
158.02924	4.0
158.04819	1.1
160.04512	2.0
167.04518	1.2
170.03270	3.2
170.98038	1.1
171.01398	17.5
171.02829	0.7
171.04964	4.0
171.06241	1.6
172.01485	1.2
172.04504	1.3
174.97688	0.8
175.98508	2.5
176.02312	2.0
176.04158	15.5
176.05879	14.4
176.07166	1.9
176.14334	1.3
177.00887	3.5
177.04256	2.5
177.05502	1.3
189.02432	10.1
189.06055	1.3
192.98659	2.5
194.03120	1.9
194.05103	6.5
194.06908	4.3
199.05650	1.6
199.07481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03036	1.6
71.03350	1.5
77.86370	1.0
81.94144	0.9
81.98087	1.0
98.21429	1.0
132.02109	100.0
133.02444	2.1
141.28011	1.1
160.38870	1.0
169.50499	1.0
176.01082	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02359	0.7
53.03945	0.9
55.01875	0.7
55.05259	0.9
55.05507	10.6
57.03438	0.7
57.07061	0.7
57.42847	0.5
60.04512	0.5
65.03937	2.1
67.05496	5.0
69.03408	0.5
69.07063	18.4
70.06593	1.1
70.07385	0.6
70.17779	1.5
79.05488	6.6
81.07052	16.9
82.07376	0.5
83.08606	4.6
91.05474	27.6
92.05837	1.0
93.07036	9.0
95.04951	2.0
95.08594	11.2
97.02899	0.9
98.98459	35.1
103.05459	2.2
104.06224	0.8
105.07022	51.5
106.07359	1.3
107.04916	0.8
107.08582	9.8
109.10143	0.9
115.05437	3.3
116.99512	1.2
117.07011	6.8
119.04931	3.1
119.08571	100.0
120.08833	3.2
121.10121	3.1
126.41218	0.5
128.06212	1.0
129.06976	5.6
130.06516	2.4
131.04880	0.6
131.08553	11.5
132.04433	1.1
132.05687	0.7
132.09375	1.0
132.95862	0.6
133.10117	73.9
134.07152	0.6
134.10390	2.3
142.07742	1.4
145.06471	1.2
145.10112	7.9
146.10928	3.6
146.40288	0.5
147.04405	2.5
147.08067	2.5
147.09067	0.6
147.11688	19.6
148.08691	0.6
148.12035	0.8
157.10085	2.1
158.05984	0.9
159.11705	0.8
160.05217	4.9
160.12482	4.4
173.13211	2.5
175.03922	0.8
175.07520	6.6
175.11276	6.0
175.14813	83.1
176.06946	1.0
176.15231	3.8
191.16859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01858	1.8
55.05505	7.6
56.56591	0.9
57.07061	0.9
58.35815	0.7
60.19452	0.7
67.05505	19.7
69.03374	1.0
69.07071	6.1
79.05490	26.5
81.07050	41.8
82.07352	1.2
83.08589	1.6
91.05476	50.7
92.05798	1.6
93.07041	40.4
93.07634	1.9
94.07401	1.2
95.04959	4.4
95.08604	34.5
97.02943	1.0
97.10141	1.2
98.98463	84.3
103.05458	1.2
105.07026	42.2
106.07385	1.3
107.04883	1.3
107.08594	14.5
109.10140	2.7
116.99518	4.7
117.07001	2.6
119.08578	58.4
121.10153	6.3
128.06195	0.9
129.06963	2.1
131.08569	6.8
133.10127	53.4
134.10406	1.4
140.01079	1.3
142.07774	2.6
145.10126	3.6
146.08344	0.9
147.04446	1.3
147.08051	2.3
147.11688	19.2
157.04320	1.4
157.10121	3.6
160.08826	1.0
173.13252	2.2
175.03880	1.7
175.07494	2.1
175.11324	8.0
175.14819	100.0
176.07085	2.5
176.15244	4.7
188.02057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03926	0.7
53.94775	0.5
54.71420	0.5
55.05263	0.8
55.05509	10.8
57.07076	0.9
61.03483	0.5
65.03926	1.0
66.69085	0.5
67.05492	3.6
68.19236	0.5
69.07064	21.7
69.28048	3.3
69.28477	2.2
69.63596	0.5
70.07416	0.6
79.05489	5.6
79.68671	0.6
81.07051	17.3
83.08626	3.2
91.05477	19.6
93.07043	7.0
95.04971	0.9
95.08601	12.4
98.98458	15.7
103.05453	1.8
105.07024	43.1
106.07345	1.1
107.08585	10.2
109.06541	0.6
109.10163	0.8
115.05446	1.4
116.99496	0.7
117.07016	6.0
118.07818	0.7
119.04903	1.3
119.08573	96.3
120.08907	2.3
121.06606	0.5
121.10130	3.6
129.07011	1.2
131.08566	7.8
132.09302	1.2
133.10121	100.0
134.10402	3.9
135.11642	0.7
142.07761	0.6
145.10123	8.4
146.10864	2.2
147.04430	0.8
147.11682	17.4
159.11693	0.8
159.67796	0.7
160.05222	0.7
160.12459	4.2
173.13240	2.3
175.07530	1.3
175.11284	1.5
175.14816	81.9
176.07043	0.6
176.15182	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	1.4
55.05506	5.8
57.07047	0.8
65.03911	1.2
67.05503	20.9
69.07063	3.3
69.47496	6.5
70.98802	0.6
79.05492	28.9
80.05813	1.1
81.07056	45.8
83.04971	1.0
83.08590	0.8
91.05477	47.6
92.05806	1.2
93.07040	47.7
95.04984	4.1
95.08602	34.2
97.10178	1.1
98.20708	1.1
98.98466	62.8
103.05446	0.8
105.07026	36.7
106.07324	1.1
107.08591	15.3
109.10165	4.4
115.05448	0.8
116.99518	3.3
117.07004	1.8
119.08578	39.0
120.08893	1.3
121.10153	7.1
128.40491	0.7
129.06978	2.1
131.08569	5.9
132.09183	0.8
133.10126	41.2
134.10507	1.5
140.01093	1.3
142.07797	1.1
145.10129	1.8
147.04376	1.1
147.08047	1.8
147.11684	20.3
157.04286	1.5
157.10130	1.9
173.13261	3.1
175.07594	3.0
175.11353	6.0
175.14822	100.0
176.07097	1.9
176.15170	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	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.29654	0.7
55.01859	1.2
55.05508	3.2
56.96559	2.5
57.03435	79.5
57.07060	0.8
58.03770	1.2
65.03930	1.4
67.05502	2.9
69.03429	0.9
69.07070	3.8
70.06568	0.8
71.59031	1.0
71.59400	0.9
79.05508	4.6
79.07586	0.8
81.03413	1.0
81.07059	6.0
89.03923	0.8
91.05476	26.7
92.05782	0.8
93.07056	3.5
95.03445	0.8
95.04951	2.2
95.08612	1.7
97.02891	1.2
98.98462	100.0
103.05448	1.7
103.68565	0.7
104.06265	0.9
105.07034	16.8
107.04953	3.0
107.08585	2.2
109.06506	0.9
115.05453	3.7
116.97217	1.0
116.99499	6.3
117.07024	8.3
119.04934	3.7
119.08576	78.1
120.08900	1.4
121.06553	1.0
121.10127	0.8
128.06221	2.3
129.06996	7.8
130.08685	0.8
131.04893	1.1
131.08530	5.0
132.05695	2.0
133.06476	3.8
133.10120	24.3
140.01117	1.3
142.07780	4.8
145.06473	2.6
145.10143	2.0
146.07265	4.4
147.04370	2.6
147.06912	1.2
147.08044	14.7
147.11656	7.1
151.93736	1.2
157.06447	1.7
157.07678	0.9
157.10103	4.3
159.07944	0.7
160.05191	3.6
160.08810	2.2
175.03871	1.7
175.07521	21.6
175.11166	39.5
175.14781	15.1
176.07008	1.9
176.11536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03927	1.3
55.01874	3.4
55.05497	3.2
56.96550	1.0
57.03434	20.0
61.82381	0.8
65.03931	1.5
67.05507	13.1
69.03430	1.9
69.07050	2.0
69.64091	5.5
79.05492	10.5
81.03406	2.3
81.07062	5.6
82.61150	0.7
83.04967	1.2
83.08571	0.7
91.05479	28.8
93.07053	4.4
95.04968	14.1
95.08621	1.1
95.33810	0.8
97.02870	0.9
98.98466	31.7
103.05447	1.4
105.04474	0.9
105.07030	32.8
107.04955	11.7
107.08562	1.9
109.06491	1.0
114.04188	1.2
115.05436	3.5
116.06266	1.4
116.99480	1.6
117.07001	7.5
119.04931	2.1
119.08579	55.0
120.08903	0.9
121.06486	6.4
128.06226	3.5
129.07011	13.2
131.04947	5.0
131.08582	7.7
132.05682	3.3
133.06488	29.7
133.10118	9.5
134.06927	0.9
135.07997	2.4
141.06990	1.2
142.07768	12.2
145.06477	12.5
145.10130	2.4
146.07263	38.9
147.08043	69.6
147.11676	10.5
148.08377	1.6
153.97208	0.8
157.07632	1.9
157.10123	13.9
160.08826	9.0
161.09406	0.8
173.09618	1.0
175.07716	2.6
175.11179	100.0
175.14790	3.6
176.07100	0.8
176.11552	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01851	0.8
55.05494	3.1
56.96574	9.9
57.03439	92.8
57.07076	0.8
58.03762	1.6
65.03931	1.1
65.94055	0.6
67.05487	3.6
69.03399	1.6
69.07046	2.5
69.48654	6.3
71.04984	0.7
79.05481	3.8
81.07060	4.4
91.05486	17.7
91.93076	0.7
92.90070	1.2
93.03405	0.8
93.07033	3.4
95.04974	2.0
95.08607	2.1
98.03657	0.8
98.98469	100.0
103.05499	0.9
105.07025	10.6
107.04938	2.6
107.08582	1.9
109.10139	0.9
115.04096	1.0
115.05428	1.5
116.99508	4.9
117.07022	6.1
119.04940	1.3
119.08584	58.3
120.08909	1.1
121.06429	0.8
124.04659	1.5
128.06194	2.2
129.07010	5.4
130.06525	1.0
131.04907	1.1
131.08557	3.2
132.05713	1.0
133.06493	4.4
133.10129	9.5
140.01083	1.3
142.07739	2.9
145.06464	1.4
146.07254	2.0
147.04405	1.6
147.08057	5.7
147.11693	4.7
151.94000	2.8
157.10144	4.2
160.05193	1.0
161.04694	1.6
161.77153	0.8
169.20451	1.0
173.01129	0.9
175.03885	1.3
175.07568	3.5
175.11185	36.2
175.14755	8.2
176.07062	2.3
176.11578	1.4
188.36275	0.8
193.03824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03941	1.6
55.01851	1.5
55.05515	3.1
56.05035	3.6
56.05838	2.1
57.02551	0.5
57.03439	12.8
57.07075	15.8
58.06598	2.7
60.04523	43.5
61.02938	1.2
62.06083	13.0
62.06374	1.1
66.06905	0.6
66.92622	0.6
67.05493	0.9
68.05027	5.5
69.03429	16.9
69.07053	1.7
70.06583	1.2
71.08632	11.1
72.04507	0.8
72.93783	1.6
73.98328	0.5
79.05495	1.6
81.03403	0.7
81.07044	1.5
83.04962	1.0
84.04504	32.6
84.05317	1.8
85.02904	15.2
86.06065	4.3
88.96869	0.7
89.03882	0.6
89.20750	0.6
91.05476	9.9
93.07070	0.9
95.04966	0.6
95.08588	0.9
96.04490	14.1
97.02889	100.0
98.03226	1.9
98.06078	0.7
98.98465	42.0
100.03983	1.7
100.07602	0.6
102.05551	8.4
102.06236	0.9
103.05466	0.9
104.06258	0.6
105.03410	0.9
105.07038	5.1
106.06422	0.6
107.04933	0.7
107.08617	0.9
112.04781	1.3
114.05528	35.2
115.03938	7.5
115.05437	1.9
116.05781	1.3
116.99516	1.9
117.07009	1.7
118.06525	2.2
118.07298	1.0
119.04920	1.5
119.08585	9.1
126.05521	0.8
128.06210	0.5
128.07083	1.5
129.05408	0.9
129.06993	2.2
130.05748	0.9
131.04922	1.3
131.08536	1.6
132.05655	1.7
132.06567	3.8
132.08069	2.2
132.08878	1.3
132.95840	1.3
133.06482	1.5
133.10156	4.4
138.05495	1.2
142.07748	1.5
144.08977	0.6
145.06389	0.9
146.05989	2.3
146.08078	1.2
146.10538	1.2
147.04427	2.8
147.08038	2.2
147.11711	2.0
149.98486	0.7
150.96870	4.1
156.06479	1.8
156.07555	1.3
156.17479	9.3
157.10114	1.4
160.05161	4.1
172.05615	1.2
174.05313	2.0
174.07619	54.2
174.10085	1.4
174.12785	3.2
174.18532	57.9
175.07558	6.9
175.09853	0.9
175.11165	4.9
175.14799	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03941	1.0
55.01872	1.0
55.05518	3.1
56.05036	4.0
56.05840	1.0
56.96556	0.8
57.03440	10.4
57.51344	0.5
60.04526	44.0
61.02903	1.6
67.05492	1.7
68.05032	6.2
69.03428	19.4
69.03806	0.7
69.07069	4.3
70.06696	3.6
70.95871	1.4
72.04512	1.2
72.93806	3.1
78.34870	0.6
79.05494	1.5
81.03407	0.7
81.07055	4.2
82.06560	0.7
83.04974	0.9
83.08624	0.8
83.44160	0.6
84.04507	33.5
85.02906	15.9
86.06062	4.6
88.03992	1.1
88.96920	0.7
90.94833	1.4
91.04012	0.7
91.05473	11.1
92.05775	0.7
93.07047	2.1
95.08608	3.8
96.04491	14.1
97.02892	100.0
98.03221	2.3
98.06065	0.8
98.98467	28.6
100.04014	1.4
102.05540	8.2
102.06220	1.1
103.05491	0.7
105.07023	11.4
107.08589	2.2
109.10175	0.6
110.13405	0.6
111.04454	1.1
111.98463	0.9
112.04829	0.8
114.05531	35.6
115.03917	8.0
116.31042	0.6
116.99488	1.4
117.07069	2.8
118.06539	1.8
119.04941	1.7
119.08582	25.6
120.08923	1.6
128.04967	0.8
129.05449	0.9
129.06976	1.9
129.99503	0.8
130.05806	0.9
130.07303	0.8
131.08595	3.3
132.06599	4.1
132.08031	1.2
132.08861	4.1
132.95834	3.4
133.10132	23.4
138.05492	1.9
142.07712	0.6
143.08600	0.9
144.08910	3.5
145.06474	1.6
145.10042	2.0
146.06029	5.2
146.08128	1.7
146.10452	4.1
147.04410	2.3
147.08044	0.8
147.11710	5.9
149.98511	0.9
150.96896	7.2
156.06390	1.3
157.10071	0.8
159.11292	5.9
160.05240	1.3
160.12500	1.2
169.15810	0.6
173.98515	0.9
174.05446	1.8
174.07617	53.3
174.13696	10.0
175.03905	0.8
175.07651	2.9
175.11244	1.4
175.14833	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
53.03938	0.4
55.01861	0.3
55.05491	0.7
56.05040	0.3
56.05827	0.4
56.96546	0.4
57.03434	1.2
60.04535	1.3
65.03925	0.2
67.05478	0.4
68.05013	0.3
69.03423	0.7
69.07078	0.3
69.71466	0.5
69.71883	0.9
70.06569	0.3
70.11039	0.2
70.95852	0.5
72.93779	0.6
77.03916	0.2
78.03445	0.2
79.05479	0.4
81.07036	0.8
83.04973	0.4
84.04501	0.7
84.05305	0.4
85.02883	0.5
86.06030	0.4
90.94775	0.3
91.05476	2.4
92.05803	0.3
93.07002	0.2
95.04953	0.7
96.04487	1.4
96.05003	0.2
97.02885	2.8
98.98463	8.1
101.05978	0.2
102.06362	0.3
104.04980	6.7
105.04546	0.4
105.07041	1.4
106.06522	0.2
106.07285	0.2
107.06071	0.4
111.98487	0.2
112.04765	0.4
114.05517	0.8
115.03957	0.3
115.05453	0.4
116.99477	0.4
117.07020	0.3
118.06541	0.4
118.07300	0.3
119.04890	0.5
119.06039	0.3
119.08588	2.0
120.05608	0.3
122.06020	6.5
123.06277	0.2
127.03544	5.9
128.06215	0.3
128.07051	0.4
129.06985	0.8
130.05812	0.3
130.07274	0.4
131.04848	0.3
131.08572	0.7
132.04472	0.5
132.05557	0.6
132.06596	0.6
132.08051	0.7
132.08911	1.4
132.95834	0.5
133.06375	1.4
133.07564	0.3
133.10129	1.1
134.04007	1.4
134.06110	0.2
134.07124	0.8
144.08875	0.6
145.10091	0.2
146.05911	1.3
146.07083	0.6
146.08159	0.4
146.10445	0.8
147.04398	0.5
147.06647	1.4
147.07976	0.8
147.11658	0.4
148.08638	0.5
150.05475	3.2
150.96889	2.0
152.05054	2.6
153.03853	0.6
154.04588	1.8
156.07431	0.4
157.10106	0.4
158.07141	0.7
159.06656	0.4
159.07898	1.3
159.11243	1.1
160.05174	0.4
172.05681	100.0
173.06036	2.8
173.08200	1.6
173.98497	0.6
174.05260	54.7
174.09000	10.8
174.13577	1.9
175.05676	1.4
175.07465	0.8
175.09792	14.5
175.11133	1.2
175.14781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03937	1.2
55.01861	0.9
55.05511	22.4
56.05022	0.5
56.96293	0.6
56.96564	7.8
57.03447	2.4
57.07065	0.7
58.01889	0.4
59.05001	3.8
60.04531	3.3
61.02910	0.4
65.03919	0.6
67.05505	4.5
69.03419	3.8
69.07070	0.8
70.95888	0.6
71.04996	0.6
71.06102	1.1
71.58725	0.4
72.08130	0.6
72.93797	5.8
73.02914	1.4
73.23359	0.4
76.02206	1.0
79.05486	1.8
79.96627	0.4
81.03414	0.6
81.07050	2.2
83.04982	23.1
84.04499	2.7
84.05278	0.5
85.02910	3.0
85.06508	0.9
86.06074	0.6
87.04467	2.4
89.02382	1.2
90.94821	4.1
91.05479	11.2
93.07042	1.3
95.04963	0.8
95.08611	1.2
96.01563	0.4
96.04468	1.5
97.02884	7.8
98.97572	1.5
99.04419	1.4
101.06017	16.7
103.03284	2.5
103.05463	0.7
105.07036	9.1
108.95856	1.5
109.10138	0.9
110.01289	0.4
111.04436	17.0
111.09224	0.4
111.98464	0.4
112.99110	0.6
113.06013	3.1
113.96390	0.6
114.05523	2.7
115.03957	0.6
115.05463	4.4
116.06245	2.2
116.98612	1.7
117.07028	6.5
118.06507	0.4
118.25171	0.4
118.66736	0.4
119.01813	0.8
119.08580	19.7
120.08932	0.5
127.07536	2.7
128.02298	0.8
128.05383	0.4
128.06209	2.6
128.07056	0.7
129.05490	11.3
129.06990	12.0
129.99588	0.5
130.07800	3.1
131.00195	2.0
131.08569	52.3
131.97437	1.0
132.08932	1.5
132.95836	1.1
133.10126	3.7
134.99654	1.4
137.06024	0.5
141.06972	0.8
142.07808	1.2
143.08557	31.1
144.09355	9.6
145.06458	3.1
145.10118	30.1
146.02141	0.5
146.06013	0.8
146.08081	0.6
146.10452	1.0
149.01239	3.8
149.17259	0.5
149.94025	0.6
149.96132	1.3
149.98434	0.5
150.96886	4.0
154.88664	0.4
155.07047	13.5
156.07443	0.4
156.09380	2.2
157.10101	2.1
158.10909	47.7
159.11224	1.8
161.01205	0.5
167.97166	1.8
171.11667	3.4
173.05865	1.3
173.08176	17.1
173.13260	100.0
174.05438	0.5
174.07561	4.2
174.13669	2.9
175.06432	1.1
186.95178	0.4
193.07535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.82416	0.5
53.03943	0.6
55.01868	0.5
55.05509	8.8
55.07227	0.5
56.96563	1.6
59.04987	1.6
60.04515	0.8
65.03930	0.8
67.05496	3.1
69.03421	0.7
69.55768	1.8
69.56196	2.1
72.93787	1.5
73.02911	0.5
76.02234	0.6
79.05500	1.7
81.07047	1.5
83.04981	8.5
84.04494	0.7
84.95010	0.5
85.02895	0.6
86.73885	0.4
87.04469	0.8
89.02411	0.6
90.94830	1.2
91.05479	14.2
95.04947	0.5
97.02892	1.9
99.04462	0.7
101.06009	5.8
103.03259	1.0
103.05434	0.7
104.04979	1.6
105.07021	11.8
108.95816	0.7
111.04436	7.3
113.05976	1.4
114.05560	1.2
115.05456	6.7
116.06277	2.5
116.68943	0.4
117.07023	9.2
119.08575	19.7
122.06001	1.8
127.03564	1.3
127.05453	0.5
127.07523	0.9
128.06229	4.7
129.05533	3.7
129.06999	12.5
130.07823	4.7
131.08566	45.4
132.08865	1.4
133.06514	0.6
133.10121	4.8
141.07022	0.8
142.07787	1.9
143.08556	41.5
144.09346	9.7
145.06476	4.3
145.10120	32.0
145.11276	1.1
146.06013	0.9
146.10457	0.9
150.05437	0.8
150.96844	0.7
152.05042	0.6
153.06947	0.7
154.04558	0.6
155.07033	4.9
155.08549	2.0
156.09334	2.1
157.10138	2.1
158.07307	6.3
158.10907	49.9
159.11192	2.3
167.97119	0.6
171.11719	3.0
172.05695	25.1
172.08798	0.9
173.05940	1.3
173.08197	6.9
173.09630	49.1
173.13255	100.0
174.05276	12.5
174.07642	0.8
174.09921	2.4
174.13689	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.74806	0.6
53.03944	0.8
55.01870	0.9
55.05507	25.3
56.05846	0.7
56.60971	0.6
56.96553	1.8
57.03425	2.1
57.07073	1.1
59.04998	5.9
60.04519	0.6
65.03916	0.7
67.05499	3.6
69.03400	1.0
69.07063	1.0
71.06099	1.5
71.08631	1.8
71.58740	0.9
72.93782	4.1
73.02920	1.0
73.06582	0.7
75.00036	0.6
76.02221	3.7
79.05483	2.2
81.03413	1.3
81.07048	2.4
82.52737	0.7
83.04972	26.6
84.05287	1.0
85.06525	0.8
87.04465	2.4
88.07609	1.1
89.02379	2.0
89.07943	0.8
90.90378	3.3
90.94814	2.8
91.05465	16.6
92.15926	0.8
93.07040	1.4
97.02872	1.2
99.04443	1.7
101.06012	17.9
102.09159	0.8
103.03278	5.3
103.05484	1.2
105.07017	13.4
108.95866	2.0
111.04440	16.6
113.06003	2.7
113.96413	1.0
114.05516	0.7
115.05454	3.9
116.06256	4.3
117.07015	12.4
118.06540	0.9
119.08574	16.4
127.07551	2.7
128.05391	0.6
128.06216	3.3
128.07071	1.3
129.05486	18.5
129.06984	14.8
130.07813	4.4
131.08554	96.4
131.93063	1.0
131.97424	0.9
132.06593	0.8
132.08916	1.8
133.10141	3.4
134.46782	0.7
142.07770	2.8
143.08546	36.8
144.09343	10.8
145.06456	2.7
145.10104	36.1
146.05975	1.0
146.08144	1.0
146.10431	0.8
149.94055	4.0
149.96036	0.8
150.96896	1.1
155.07039	15.5
155.08420	2.0
156.09319	2.4
157.10197	1.6
158.07329	3.4
158.10893	42.4
159.11562	2.7
167.95049	0.8
167.97176	1.4
171.11661	2.3
172.95610	0.8
173.05858	1.6
173.08244	21.3
173.09700	5.0
173.13245	100.0
173.17290	6.0
174.05508	1.0
174.07605	0.8
174.13646	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	173.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05510	17.8
56.05030	0.3
56.05832	0.4
56.29490	0.2
56.65059	0.2
56.96555	0.5
57.03444	0.4
59.05002	1.6
61.44901	0.2
67.05508	0.4
67.20157	0.3
69.03433	0.4
70.06597	0.3
70.36871	0.2
70.90552	0.6
70.90871	0.3
70.95866	0.8
71.06142	0.4
72.08150	6.2
72.93400	0.4
72.93787	4.7
73.02879	0.3
76.02236	0.5
83.04978	9.7
84.05302	0.3
85.06525	0.3
85.07652	2.5
86.40508	0.3
87.04453	0.6
89.02401	0.6
89.04250	22.9
89.36049	0.3
90.94827	3.7
91.05463	0.4
99.04482	0.4
101.06007	6.8
102.05527	0.3
103.03281	1.1
108.95865	1.1
109.06506	0.5
111.04440	7.9
111.70469	0.3
113.05992	0.8
113.96426	0.5
114.03780	0.6
115.05438	0.3
117.07014	0.3
118.06548	0.3
127.07561	1.0
129.04611	0.5
129.05482	5.1
129.06973	0.3
129.99512	0.4
131.06381	54.9
131.08525	1.0
131.97438	0.6
132.06659	0.9
132.95799	1.5
137.05951	0.5
138.30910	0.3
143.08563	0.4
145.07668	0.3
145.10121	0.9
146.02126	0.3
146.05963	0.6
149.96062	0.8
149.97224	0.6
149.98471	0.3
150.96880	3.3
155.07024	6.7
155.08244	0.5
158.10909	0.6
167.97119	1.4
173.08131	7.9
173.11073	100.0
173.98540	0.7
174.05539	0.3
174.11433	3.1
174.12791	0.5
179.90897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
51.02382	0.4
51.67534	0.4
55.01894	0.7
55.05510	8.0
55.36847	0.4
56.96567	1.2
57.03434	0.7
65.03932	0.5
67.05498	1.9
69.07062	1.1
70.95189	0.6
72.04513	7.1
79.05491	2.6
81.07061	0.7
83.08623	2.5
89.07149	4.5
91.05481	11.4
93.07050	1.3
95.04975	0.5
95.27689	0.4
97.10170	0.7
103.05442	0.6
105.07041	4.5
107.08603	0.6
111.24876	0.4
112.63730	0.4
115.05442	5.0
117.07015	7.8
125.09589	0.4
128.06218	20.9
129.07001	91.6
130.07753	4.1
131.08569	3.4
141.06987	4.6
142.07802	4.4
143.08554	45.0
144.08894	2.2
145.06447	1.9
155.06041	1.2
155.08514	1.0
156.09334	8.1
157.09760	0.6
163.78287	0.5
169.10139	2.7
171.11678	100.0
172.09805	0.5
172.12106	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	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44674	0.2
53.03951	2.1
55.01673	0.1
55.01870	8.4
55.05509	100.0
56.05845	1.9
56.96560	0.3
57.03442	1.0
57.07076	0.8
58.60363	0.2
59.05001	3.2
65.03922	0.3
67.05502	10.4
67.96256	0.2
69.03428	4.7
69.07065	11.8
70.07393	0.3
71.04172	0.6
72.04513	4.6
73.02905	0.4
73.06533	0.3
73.25327	0.2
79.05491	16.6
81.07053	15.5
82.07397	0.3
83.04977	5.3
83.08617	36.2
84.08947	0.9
85.06571	0.6
87.04462	1.0
89.07137	2.7
91.05486	3.7
93.07037	2.6
95.04975	0.6
95.08596	0.6
95.50555	0.2
96.08147	0.3
97.06548	0.3
97.10167	36.4
98.10497	1.0
100.89008	0.3
101.06006	0.4
101.09629	1.2
105.07027	1.4
107.04955	0.5
107.08591	9.9
108.08932	0.5
109.06532	1.0
111.08063	1.0
115.05438	0.9
117.07070	1.2
119.06038	0.3
125.09626	7.6
126.10002	0.3
128.06232	2.9
129.07005	6.6
135.08084	0.8
139.06732	0.4
141.06976	0.8
142.07738	1.2
143.08563	3.4
156.09314	1.1
171.07964	0.4
171.11682	4.3
171.14908	1.4
172.09743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	3.3
55.05509	4.8
56.96563	3.0
57.03425	0.4
57.11684	0.3
59.87645	0.3
64.57008	0.3
65.03940	31.5
66.04260	0.5
67.05500	2.1
68.02651	0.5
68.99789	9.3
69.03445	2.4
69.07066	1.1
69.94269	1.7
70.06608	1.5
70.94263	0.5
71.01363	0.6
71.04988	0.6
71.06918	0.7
72.04514	4.3
72.08163	0.4
72.93782	1.6
79.01848	0.5
79.05502	0.6
81.03420	4.8
81.07065	0.4
82.06576	0.6
83.01325	0.7
83.04483	0.6
83.04980	12.4
83.08615	0.9
84.08131	0.4
86.09692	0.4
89.07151	2.5
90.94813	0.4
93.03398	4.4
93.07033	0.4
95.04980	0.6
96.02093	1.9
97.02881	1.8
97.07655	0.5
98.21382	0.4
98.97565	0.7
99.05560	0.4
100.08756	0.3
107.08557	0.3
109.02889	0.6
109.06461	0.3
110.01666	0.3
111.04440	100.0
112.04754	2.0
116.98649	0.9
121.02887	1.4
121.03996	6.8
125.02390	0.6
125.05993	0.3
125.07117	0.3
125.11562	1.7
127.03915	0.8
128.06206	0.4
128.98601	0.8
134.06062	0.4
134.99643	1.5
139.03900	82.7
140.04198	2.0
146.99669	1.1
147.96910	1.4
148.97354	0.4
149.89166	0.3
153.01862	0.6
153.06541	0.6
156.03772	1.0
156.09328	0.3
157.01364	0.9
165.97948	1.5
171.02983	0.6
171.06586	3.2
171.12170	2.4
171.14946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0964
Annotation	5-Aminoacenaphthene
Peak:m/z	Relative Intensity
55.01863	0.5
55.05513	3.4
56.96297	0.3
56.96566	6.1
61.02900	0.2
65.03944	1.5
67.05504	1.5
69.03433	0.3
69.07043	0.6
69.84956	1.4
71.04977	0.8
72.04498	0.8
76.57618	0.2
77.64581	0.2
79.05475	0.8
81.07054	1.4
83.04970	0.4
83.08614	1.3
89.07140	0.4
91.05479	1.0
92.05006	3.0
93.05211	0.3
93.05791	4.8
93.07020	0.5
96.08108	0.4
97.10168	1.7
103.05470	0.3
105.07020	0.6
107.08588	0.7
109.10168	0.3
110.06049	2.5
112.88671	0.2
115.05450	1.0
124.07600	0.4
125.09625	0.4
128.06235	5.1
129.07024	1.7
130.06567	0.3
131.08539	0.2
133.10124	0.6
141.06990	0.8
143.07442	0.2
143.08566	5.1
145.06487	0.4
151.11176	0.5
152.06212	15.7
153.06996	25.5
154.06442	0.6
154.07521	1.7
155.06105	0.5
155.07256	2.4
168.08121	1.4
169.06610	1.5
169.08884	5.8
170.09645	100.0
171.08067	1.2
171.09979	5.2
171.11551	0.4
179.06076	0.4
181.07681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03959	1.0
54.25490	0.9
55.01876	5.4
55.05516	5.2
56.05037	11.3
56.96567	52.0
57.03429	3.0
58.02964	1.2
58.06598	1.9
60.95833	1.0
61.02907	1.5
65.03927	3.1
67.05492	4.9
68.05030	8.7
68.96545	0.9
68.99763	1.5
69.03442	7.6
69.07055	1.9
69.92534	1.2
70.06592	77.9
71.95273	6.3
72.04499	2.4
72.08154	2.6
73.02921	5.1
74.97607	2.2
79.05501	10.5
80.05002	3.3
81.03413	2.5
81.05778	1.7
81.07056	3.2
82.02947	2.1
82.06590	8.3
83.04985	5.6
83.06092	4.6
83.08664	1.1
84.04508	13.8
84.08144	2.6
84.96020	1.7
85.02889	2.7
86.06075	2.2
87.04455	3.2
88.02261	1.4
89.07150	1.6
92.04977	3.0
93.05780	15.7
94.06568	7.2
95.04902	2.0
95.06090	3.8
96.04488	3.8
96.06874	9.9
96.08130	47.0
97.02886	3.4
97.06507	1.6
97.07639	1.3
98.05417	1.0
98.06053	2.9
98.09656	1.7
98.21603	1.8
98.97586	10.6
100.03957	1.9
100.07623	1.4
101.03432	1.0
103.02415	2.2
106.06557	26.0
107.04962	1.5
107.07330	4.1
108.08116	15.3
109.02900	1.2
109.06444	1.0
109.07623	4.6
110.06020	4.8
110.07175	2.6
110.09660	1.2
110.97558	9.0
111.04432	7.5
112.07567	1.5
114.05512	7.5
114.09167	9.5
116.00211	1.4
116.14112	1.0
116.97269	1.4
116.98618	13.9
118.03489	1.0
119.01923	8.6
120.02010	2.4
121.01605	1.7
121.03497	1.1
122.06065	5.8
123.06815	17.5
124.03994	1.3
124.07598	94.3
124.08674	12.4
124.11175	4.9
125.04720	1.5
125.07107	3.4
125.07961	1.3
125.08398	2.0
126.01115	1.3
126.09142	3.5
127.01610	1.3
127.03956	2.1
128.07091	5.2
128.07933	1.2
128.98610	31.5
131.01921	1.8
134.03619	1.1
134.06007	11.8
134.99652	13.4
136.06187	4.5
137.02966	2.6
138.05495	7.9
139.00273	3.4
139.03885	5.1
139.06224	1.7
140.07050	1.6
142.04999	4.3
142.08629	26.9
146.01244	1.6
146.03612	3.4
146.99649	71.4
147.01462	3.8
147.03209	1.6
147.04977	1.8
149.01216	2.3
152.07065	88.1
153.00703	2.4
153.07458	1.3
155.03398	2.6
156.05208	1.0
157.01317	11.7
158.01225	1.3
161.01254	1.4
164.95898	1.4
165.00710	17.9
165.02156	1.6
165.08609	1.7
170.01237	4.3
170.02885	2.8
170.08128	100.0
170.09531	8.4
170.11655	6.1
171.07700	3.5
171.11324	1.8
189.00685	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	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.27248	0.7
53.03946	2.2
54.03463	0.9
55.01673	0.7
55.01876	8.7
55.05497	3.4
56.05035	10.1
56.96297	1.4
56.96564	24.1
57.03431	1.7
58.06593	2.9
59.06112	0.8
60.04520	1.3
60.95829	1.6
61.01146	2.3
65.03931	3.5
66.03445	1.8
67.04253	1.0
67.05495	3.6
68.05019	6.1
68.99766	3.1
69.03426	5.3
69.05809	2.0
69.07052	2.4
69.92547	1.9
70.02951	1.1
70.06590	29.6
70.98063	0.9
71.01326	0.8
71.04984	1.7
71.52174	1.5
71.94071	1.0
71.95245	1.5
72.04501	3.5
72.08150	5.5
72.93767	2.1
73.02905	2.5
74.97606	1.1
79.05495	16.5
79.65303	0.8
80.05017	4.3
81.03409	4.2
81.04507	1.4
81.05797	1.6
81.07043	4.2
82.02937	1.2
82.05346	0.9
82.06577	8.4
82.94826	0.9
83.01331	1.6
83.04984	6.5
83.06098	3.8
84.04499	8.0
84.08132	3.4
84.94883	3.1
84.96011	2.0
85.02890	4.0
85.05319	0.9
85.07636	1.1
86.06055	2.9
87.00806	1.5
87.04453	2.4
88.02222	4.1
89.07133	0.8
90.94804	1.3
91.05455	1.2
92.04990	3.6
93.05783	5.0
94.04005	0.9
94.06558	3.2
95.04969	7.6
95.06070	1.8
96.04482	3.0
96.06860	1.2
96.08127	21.8
97.02888	5.1
97.06557	4.1
97.07656	2.1
98.06059	6.9
98.09702	1.0
98.97569	3.4
99.02708	0.8
99.04446	1.2
99.05578	1.2
100.03960	1.5
100.07614	2.3
106.06558	15.1
107.04955	17.5
107.06056	0.8
108.04464	1.5
108.05727	0.8
108.08163	4.1
109.02873	6.1
109.06503	1.9
109.07626	2.2
110.03588	1.8
110.06064	6.7
110.07146	3.9
110.97546	1.0
111.00832	0.9
111.04443	4.3
111.05581	1.2
111.09187	2.4
112.07596	1.7
113.07162	1.1
114.05525	17.5
114.09157	3.1
116.00242	1.0
116.98590	4.1
119.01099	0.8
119.01868	3.7
121.06487	1.0
122.06066	1.2
122.07076	1.2
122.52348	0.8
123.04423	7.7
123.06806	2.2
124.04020	0.9
124.05140	5.4
124.07590	52.7
124.08609	2.9
124.11225	2.8
125.02341	1.4
125.04572	1.7
125.05981	8.1
125.07017	1.6
125.08384	0.9
125.10749	5.9
125.97515	0.9
126.01054	1.9
126.05500	2.5
126.06419	0.8
127.01475	1.5
127.03915	2.4
127.08675	1.2
128.04388	0.8
128.07062	1.8
128.08089	0.9
128.98607	5.0
129.06647	0.8
131.97369	0.9
133.01691	1.0
134.01245	1.4
134.06013	72.8
134.99615	3.9
135.04408	10.2
135.06361	2.9
136.02045	1.3
136.05171	9.1
136.06183	16.4
137.04625	1.0
138.05524	1.5
139.00252	5.7
139.03915	4.0
139.06258	1.1
141.05429	2.2
142.04955	12.4
142.05865	1.4
142.07416	1.3
142.08624	13.2
142.09698	0.7
146.94919	0.8
146.97354	3.7
146.99654	11.7
147.01392	1.5
147.96915	2.5
152.07062	100.0
153.00708	0.8
153.01881	1.1
153.05463	37.1
153.07449	2.6
153.10239	1.1
154.05804	1.3
155.03375	3.2
157.01328	13.7
159.55585	0.9
163.97650	1.0
164.30396	0.8
164.96013	1.7
164.98286	1.7
165.00696	2.5
165.08594	1.0
165.97946	1.9
170.02896	1.8
170.04347	1.3
170.05757	3.2
170.08112	45.1
170.09576	12.7
170.11584	4.0
170.12848	1.4
170.15396	1.1
171.02890	1.2
171.08701	1.1
171.11290	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	170.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08651	0.6
53.03943	1.0
54.03465	0.8
55.01873	2.9
55.05515	4.6
56.05033	7.9
56.96572	4.8
57.03415	1.7
58.06586	1.7
59.06123	1.1
60.04522	1.0
65.03936	3.8
67.05505	2.8
68.05026	5.8
68.15124	0.8
68.99796	1.9
69.03427	6.8
69.05802	1.8
69.07063	1.7
70.06592	97.5
71.04992	2.7
71.06893	1.2
71.58086	1.3
72.04523	3.3
72.08171	1.7
72.93787	2.7
73.02913	3.1
73.06540	1.2
74.03217	0.8
79.05492	12.3
80.05019	3.5
81.03412	2.5
81.05798	0.8
81.07053	3.1
82.02943	2.0
82.06584	5.6
83.04964	1.0
83.06104	1.7
84.04505	4.2
84.08150	3.2
85.02885	1.4
86.02413	1.0
86.06077	3.6
86.09710	1.1
87.04480	3.7
88.07661	0.9
89.07154	0.9
89.96450	0.9
90.03443	1.7
90.94823	1.3
90.95407	0.6
92.05006	3.7
93.05793	6.7
94.06571	3.1
95.04977	1.7
95.06084	2.0
96.04503	2.3
96.08128	49.8
97.02888	2.2
97.04042	0.9
97.05254	0.8
97.06506	1.3
97.07663	1.5
97.08939	1.3
98.06078	3.0
99.00031	1.1
99.05576	0.9
100.03986	2.2
100.07604	1.9
106.06557	27.4
107.04938	1.2
108.08112	7.0
109.02831	0.9
109.07634	0.7
110.03209	1.0
110.06050	5.0
110.07186	1.4
110.09686	1.8
111.04454	6.7
111.05578	1.2
111.09221	2.5
112.07607	1.8
112.09537	1.1
114.05527	2.3
114.09175	10.2
114.09894	1.3
115.03905	0.9
115.05493	0.8
116.98611	1.4
121.02903	1.0
124.07593	100.0
124.11214	15.6
125.07127	1.1
125.08470	4.1
126.01077	38.5
126.05437	0.8
127.03937	3.7
128.07077	5.8
131.97406	0.8
134.06036	1.4
134.99634	0.8
135.09178	0.9
136.06061	0.8
139.03917	5.3
140.07085	1.7
140.73434	0.6
142.05830	1.9
142.08638	33.4
146.97354	1.4
146.99599	1.7
147.96928	4.4
152.04388	0.8
152.07066	6.0
152.10739	1.0
153.01846	4.3
153.10155	1.3
153.81808	0.7
155.03400	4.9
156.09453	0.7
157.01314	1.9
165.97966	3.1
170.05754	4.2
170.08145	84.2
170.09601	13.1
170.11729	14.7
170.12907	1.2
171.02887	1.2
171.06747	0.8
171.08450	2.3
171.14850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03938	2.4
55.01864	8.0
55.05270	1.5
55.05511	24.4
56.96556	4.4
57.03419	3.6
57.07071	2.0
59.04989	4.9
63.66655	1.2
65.03925	3.3
67.05504	41.1
69.03411	1.4
69.07069	9.3
69.56738	1.1
69.93987	7.1
70.06592	1.2
71.01360	7.3
71.04993	12.1
79.05492	21.2
81.03404	4.8
81.07054	69.1
82.07355	1.7
83.04978	4.9
83.08619	12.5
85.02930	3.0
85.06539	2.9
90.61041	1.1
91.05471	20.0
92.04994	2.0
93.05751	2.9
93.07048	10.1
95.04949	5.4
95.08591	7.8
97.06527	1.2
98.20798	1.2
99.04436	1.5
105.07023	11.6
107.08588	11.0
109.02860	4.2
109.06513	3.6
109.10146	7.3
110.05981	1.8
111.00802	3.5
111.04415	3.0
113.00012	12.4
113.84421	1.3
123.04434	5.2
123.08055	2.1
123.11703	6.0
124.07555	2.7
126.03110	6.0
127.03867	1.1
131.08582	1.3
133.02815	3.2
133.10130	6.0
141.05478	17.1
141.06969	12.7
142.08611	1.7
151.03918	2.5
151.11116	1.3
153.06932	2.0
154.02643	1.8
154.07735	10.4
163.97604	1.3
169.04897	6.5
169.07626	3.5
169.10136	14.2
169.12239	100.0
170.08208	2.5
170.09639	8.0
170.12604	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	169.0496
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03937	1.1
55.01874	2.3
55.05514	2.1
56.96587	0.7
57.07070	1.0
59.06124	1.4
64.86490	0.5
65.03944	2.0
67.01863	33.4
67.05507	7.1
68.02223	0.6
68.05024	1.1
68.99784	7.6
69.00120	0.7
69.03460	0.7
69.07066	0.8
70.06589	0.6
71.04990	1.7
71.07410	0.6
71.08605	0.5
71.12652	1.3
72.08179	0.7
79.05485	2.0
81.03413	3.9
81.04562	0.5
81.07048	5.8
83.04975	4.5
83.06113	0.7
84.08141	2.0
85.02903	21.0
85.06570	1.3
85.07659	0.7
85.94624	0.6
93.05783	0.5
93.07052	1.2
95.04964	10.9
95.08598	4.5
96.04466	0.7
97.02901	0.7
97.04847	0.6
97.06503	0.7
98.03693	0.9
99.04461	1.2
99.05587	0.5
105.03357	0.7
105.07053	0.8
107.08620	1.3
109.02863	6.7
109.06521	1.6
109.07658	1.3
109.10168	1.5
110.06021	0.7
110.07161	1.4
111.00824	4.5
111.04424	3.0
111.08049	1.2
111.09200	3.9
115.05461	0.6
119.01904	0.9
123.04426	45.7
123.08076	1.4
123.11700	1.4
124.04790	1.0
124.07627	0.9
125.05945	0.5
126.03123	6.0
127.03915	24.2
129.01820	1.9
130.31448	0.5
133.02866	1.9
141.05452	13.0
141.06642	0.8
141.07016	0.9
151.03900	81.9
151.11134	0.8
152.04286	2.7
163.97725	1.1
169.04961	100.0
169.07542	4.1
170.05301	3.0
170.08220	0.8
170.09607	1.3
181.17877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03934	2.9
55.01877	2.5
55.05511	13.5
56.96560	1.7
57.03437	0.9
57.07072	1.7
59.05008	3.2
65.03934	2.9
66.04721	1.3
67.01878	0.4
67.05175	0.6
67.05507	9.2
67.56786	0.4
69.03438	3.2
69.07066	44.6
69.83288	2.1
70.06590	0.5
70.07404	0.6
70.94047	0.5
70.98782	0.5
71.04987	0.9
75.54894	0.4
77.03909	0.8
78.04709	12.8
79.05490	24.6
81.03409	1.6
81.04543	0.5
81.07056	15.0
83.04978	4.4
83.08623	3.9
84.96042	0.7
91.05476	16.7
93.03407	1.4
93.07041	85.0
94.04205	1.0
94.07372	2.6
95.04972	11.0
95.08601	13.7
96.05724	1.1
97.02871	0.7
97.06535	7.7
97.10165	1.8
98.06043	0.8
98.09624	0.5
100.11260	0.6
103.05479	2.2
105.03402	0.8
105.04544	1.4
105.07030	24.3
106.03049	0.5
106.04171	3.8
106.07819	1.8
107.04968	4.7
107.08599	6.0
109.02894	2.1
109.06532	2.7
109.07599	0.6
109.10146	1.4
110.03640	1.4
111.04448	2.5
111.08086	1.6
111.11720	7.3
119.08572	5.3
121.01662	3.6
121.02870	1.3
121.06554	2.4
121.10141	100.0
122.03642	1.7
122.05981	0.6
122.07174	0.9
122.10469	3.3
123.04429	22.1
123.08064	8.5
123.11722	0.8
124.05224	7.0
125.05986	1.5
125.08228	0.8
125.09652	0.9
131.08578	1.3
133.07623	2.1
134.03592	0.9
135.04410	1.2
137.02312	0.6
137.05978	1.1
138.03142	0.7
139.02716	3.0
139.03799	1.1
139.07536	1.7
139.11186	2.4
143.96729	0.8
144.03247	2.0
149.02310	3.2
149.06030	0.7
149.09613	13.6
149.13261	0.9
150.05534	0.6
151.03926	3.7
151.91776	0.4
152.04674	3.9
162.04300	1.2
167.03458	3.0
167.07040	62.2
167.10663	27.0
167.14342	0.9
168.07417	1.8
168.11218	1.0
186.80553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02371	0.4
52.03165	0.5
53.03938	1.7
55.01865	0.7
55.05496	0.9
56.05020	0.9
56.96553	0.8
58.06586	0.3
59.06094	0.5
65.03934	1.8
66.04706	1.5
67.05496	2.2
67.92496	0.6
68.05009	0.9
68.99782	0.7
69.03419	0.9
69.07043	0.5
70.06578	0.6
70.78986	0.9
70.79350	0.6
72.08141	0.5
77.03928	0.5
78.04710	25.7
79.05082	0.6
79.05492	7.0
80.05029	0.3
81.03413	2.1
81.04533	0.4
81.07067	2.1
82.06570	1.2
82.94823	1.1
83.04992	0.6
83.06122	0.6
84.04498	0.5
84.08129	0.4
85.02886	0.7
85.42768	0.3
91.05466	1.5
92.02633	0.4
92.04995	1.0
93.03388	1.5
93.07038	1.3
94.04168	1.5
95.04961	5.4
95.06074	0.5
95.75567	0.4
96.05727	1.6
96.08147	0.4
97.02879	0.6
97.06509	0.7
98.07152	0.4
105.03352	2.0
105.04459	0.5
106.04179	7.9
107.04977	4.4
107.08588	0.7
108.04457	0.7
109.02882	3.0
109.06506	0.8
109.07641	1.9
109.95211	0.4
110.03672	0.5
110.06030	0.4
110.08433	0.9
111.04427	1.7
111.08058	0.6
111.09216	0.8
111.10567	0.3
115.93995	0.4
120.02058	0.7
121.01669	1.3
121.02826	0.9
121.06494	1.4
121.07607	0.8
121.10143	0.9
122.03683	1.8
122.06004	0.8
123.04429	41.1
124.05236	12.2
124.08656	0.5
134.03654	2.2
135.04474	2.0
137.02357	0.5
137.05966	1.8
138.03098	1.3
139.02768	0.7
139.03854	0.8
139.07561	0.9
144.03253	0.7
149.02277	1.0
150.10249	1.4
151.03908	7.8
152.04692	7.5
154.04994	8.7
162.95796	0.5
167.03357	1.7
167.07036	100.0
168.04202	0.7
168.07500	3.3
168.11293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.03950	0.2
58.58944	0.2
59.92281	0.2
65.92615	0.2
71.23396	0.2
71.23721	0.3
75.18468	0.1
77.03940	0.2
79.05495	1.7
80.05021	0.2
91.05488	0.8
93.07047	2.8
95.04973	0.5
103.05465	12.2
104.05805	0.4
105.07022	0.2
107.04276	0.2
107.04958	2.3
120.08104	100.0
121.08450	3.4
131.04921	2.1
148.04710	0.3
149.05984	0.5
166.08607	0.9
167.07045	0.2
178.54869	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.32037	0.4
50.38451	0.3
51.02378	0.8
52.03170	0.3
53.03945	2.1
55.01870	2.7
55.05513	2.7
55.57336	0.3
56.05022	0.9
56.96570	2.3
57.03437	0.5
58.06605	0.4
59.05009	0.5
59.06109	1.2
65.03934	2.6
65.17650	0.3
66.04707	1.5
67.05503	2.4
68.05020	1.2
68.99777	1.3
69.03424	2.1
69.07067	2.0
70.06577	1.0
70.85219	0.5
70.85584	0.9
71.04978	0.8
72.08136	0.6
73.02919	2.4
77.03912	0.5
78.04712	21.0
79.05105	0.6
79.05492	11.5
80.05038	0.5
80.05817	0.5
81.03429	1.7
81.04540	0.8
81.07058	2.7
82.04197	0.7
82.06575	1.8
83.04984	3.2
83.06091	1.1
83.08618	0.8
84.04510	0.6
84.08131	0.8
85.02895	0.6
85.07649	0.5
89.03899	0.7
91.05474	3.3
93.03403	1.1
93.07039	3.9
94.03635	0.3
94.04173	1.5
94.06570	0.6
95.04961	6.2
95.06073	0.6
95.08606	1.1
95.56589	0.3
96.05209	0.3
96.05747	1.8
97.02882	2.1
97.06525	2.7
97.07628	0.8
98.97588	0.4
99.04409	0.5
99.05554	0.4
103.05441	0.4
105.03376	1.0
105.04504	1.1
105.07023	1.1
106.04169	6.9
107.04956	9.3
107.06055	0.4
107.08606	4.3
108.04491	0.7
109.02874	3.4
109.06520	1.8
109.07645	4.3
109.10126	0.5
110.03663	0.6
110.07157	1.0
110.08410	2.6
111.04433	4.0
111.08063	1.4
111.09183	2.0
112.08698	0.4
113.05989	0.8
116.98603	0.4
119.01820	0.6
119.04939	1.1
121.02866	28.9
121.06493	3.5
121.07323	0.5
121.08436	0.4
121.10129	2.7
122.03616	1.7
122.06011	0.9
122.07130	1.5
123.04425	34.7
123.08035	1.2
123.09120	0.6
124.05228	10.9
124.08688	1.3
125.06059	1.6
125.08226	0.8
125.09639	0.9
126.05502	0.6
127.07449	0.6
131.08560	0.7
134.03641	2.2
135.04420	5.8
137.02361	0.5
137.05952	1.5
138.03091	0.6
138.06657	0.4
139.02858	0.5
139.03902	2.6
139.07544	0.9
139.11191	0.6
143.07030	0.4
144.03244	0.5
146.99683	0.4
149.01276	0.5
149.02354	2.8
149.04886	0.3
149.05991	6.4
149.08040	0.4
149.09593	1.3
149.13249	0.5
150.06516	0.4
150.10265	3.4
151.03902	7.0
152.04688	7.8
153.05080	0.5
167.03424	3.8
167.07034	100.0
167.10603	2.1
167.12903	1.0
167.14331	0.9
168.04124	1.3
168.07481	3.0
168.11325	0.8
170.52434	0.3
179.05943	0.4
180.20546	0.4
185.19713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00019	0.2
51.85108	0.2
58.06597	4.9
64.39709	0.2
70.39356	0.8
84.08140	0.3
94.06310	0.3
100.11255	7.6
101.11631	0.2
117.04198	0.2
119.01947	0.2
119.87526	0.2
130.05269	0.2
152.62337	0.2
166.08395	100.0
167.08743	3.0
167.50517	0.2
183.28957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03940	2.9
55.01879	6.3
55.05294	1.1
55.05507	10.4
56.96322	1.2
56.96565	12.3
57.03435	8.6
57.07061	3.4
63.91725	1.1
65.03924	4.9
67.05504	52.8
68.05003	1.6
69.03430	8.2
69.07063	13.7
70.33479	3.7
71.04981	4.5
79.05489	49.7
80.05012	1.7
81.03405	4.0
81.07053	100.0
82.07388	2.4
83.04985	13.3
83.08588	3.1
83.93033	3.6
85.06533	5.4
91.05478	60.7
91.27195	1.4
92.05816	3.1
93.07040	48.3
93.07630	2.7
95.04961	25.5
95.08599	34.7
96.08937	1.2
97.06515	12.0
98.20847	1.5
100.02486	1.9
101.00874	5.8
102.02254	1.9
103.05437	1.7
103.45277	1.2
105.07028	72.8
106.06591	1.5
106.07304	2.7
107.04967	3.7
107.08594	28.5
109.06507	28.2
109.10161	11.2
111.04445	1.4
115.96425	2.9
116.03082	2.2
116.97217	1.4
117.07011	2.7
119.01919	82.5
119.04919	19.7
119.08577	61.8
119.09204	1.2
119.09450	1.7
119.95129	2.1
120.02013	4.5
120.08119	1.5
120.08901	3.2
121.06546	1.6
121.10139	54.3
122.07209	1.5
122.10521	1.7
123.04403	2.6
123.08057	14.4
123.11714	11.1
133.02792	1.9
136.07533	1.5
137.02957	46.1
137.05957	5.1
137.09599	7.0
137.13274	2.4
138.03052	3.6
142.03488	45.3
142.96686	11.7
143.03604	4.1
145.10060	1.9
147.04404	30.7
147.05531	2.2
147.08026	2.1
147.11681	94.2
148.04745	1.8
148.12001	5.1
160.04564	21.6
161.04677	1.7
165.01802	2.3
165.05441	6.6
165.06508	1.4
165.07799	1.9
165.09044	8.0
165.12747	91.3
166.05028	3.4
166.08612	7.6
166.13081	5.1
183.06142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	hinokitiol
Peak:m/z	Relative Intensity
50.17627	0.4
52.25127	0.4
53.03961	1.1
55.01890	0.6
55.05510	5.5
58.89193	0.4
58.94799	0.4
65.03944	1.2
67.01874	0.6
67.05504	26.8
67.28206	0.4
68.05846	0.7
69.03428	0.8
69.07069	1.7
70.01182	2.3
70.11133	0.4
79.05492	3.5
80.04988	0.4
81.03436	0.8
81.07056	11.4
81.07522	0.7
82.07388	0.4
83.04984	6.3
83.93035	0.8
86.31344	0.4
91.05476	12.8
93.07039	2.9
94.07831	0.6
95.04959	4.5
95.08607	4.2
100.02450	0.6
101.00875	2.7
103.05464	1.5
104.06252	0.9
105.07037	2.0
107.04945	4.9
107.08596	2.2
108.98848	0.3
109.06523	2.8
109.10154	25.7
110.10498	1.1
111.07990	0.4
115.96422	0.6
117.07024	1.6
118.03504	0.4
119.01917	31.2
119.04932	4.1
119.08576	22.3
119.95162	0.7
120.02032	1.6
120.08945	0.5
121.06519	2.1
121.10120	0.6
122.07284	18.7
122.08175	0.9
123.04469	0.8
123.08069	1.4
124.02441	0.5
132.05707	0.4
134.54910	0.4
135.08093	0.7
137.02951	18.0
137.06010	1.7
137.09615	57.8
138.03061	1.6
138.09937	2.1
142.03494	19.2
142.96695	3.8
143.03714	1.0
147.04410	8.5
147.08047	1.6
147.11691	0.5
160.04559	7.8
161.04692	0.8
165.05446	2.5
165.09106	100.0
165.12715	2.4
165.63194	0.4
166.05064	0.6
166.09526	4.2
183.06184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.02340	1.4
53.03947	6.2
55.01876	7.6
55.05508	6.8
56.05031	1.8
56.96552	1.9
57.03426	2.0
57.07066	1.3
59.04991	1.5
59.06096	1.4
65.03938	6.5
66.04719	1.9
67.01871	8.4
67.05174	1.8
67.05504	26.0
68.05024	2.3
68.99819	1.6
69.03428	6.5
69.07061	3.5
70.06570	3.3
71.06178	3.1
77.03930	3.4
79.05490	32.0
80.05013	3.2
81.03410	6.0
81.04539	3.0
81.07056	34.4
82.06575	2.2
83.04967	4.4
83.06097	3.1
83.93024	1.6
89.03866	1.2
91.05478	38.8
92.05805	1.6
93.07039	11.7
94.04166	2.3
94.06609	1.4
95.04970	20.5
95.06085	3.1
95.08607	17.3
97.06519	3.9
97.07667	2.4
101.00871	4.0
101.02483	1.3
103.05473	13.6
105.03429	2.0
105.07031	100.0
106.06609	2.1
106.07343	3.9
107.04952	11.5
107.06072	3.5
107.08612	9.1
109.02880	4.1
109.06507	14.9
109.07656	2.0
109.10159	22.0
111.04401	3.5
111.09199	2.1
117.07011	2.3
119.01926	48.4
119.04942	32.4
119.06820	1.4
119.08578	23.2
119.95072	1.9
120.02041	3.1
120.05315	2.3
120.08099	4.8
121.06462	3.0
121.07584	1.4
121.10143	8.7
122.03658	7.4
122.07256	12.9
123.04463	9.0
123.06670	1.9
123.08088	10.8
123.10001	7.0
123.11671	2.8
124.05200	7.2
124.08721	5.0
125.09496	1.7
132.98889	1.4
133.02858	10.9
133.06491	48.8
134.06819	2.0
135.04399	2.9
136.07587	3.0
137.02983	33.9
137.05978	86.2
137.09604	29.2
138.05464	3.3
138.06398	3.3
138.10063	1.8
142.03500	29.5
142.96651	10.2
147.04417	50.6
147.08070	6.3
147.11681	11.8
148.04861	1.9
148.08632	3.8
150.06503	4.4
151.07407	1.4
151.11868	1.2
159.13344	1.4
160.04549	13.2
165.01807	5.2
165.05597	14.7
165.07698	4.5
165.09094	64.6
165.11267	7.0
165.12746	19.9
166.04991	3.6
166.06273	1.6
166.08604	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	165.091
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03917	1.2
55.05507	4.1
57.38991	0.7
62.43470	0.9
63.61493	0.6
67.05505	25.1
69.07055	1.4
69.36654	7.9
72.41800	0.7
72.93755	0.8
79.05479	3.4
81.07058	11.3
83.04975	6.1
88.69850	0.8
91.05483	10.7
93.07043	1.8
95.04999	3.8
95.08595	3.0
98.21532	1.6
99.84625	0.8
104.06279	1.0
105.07013	2.0
107.04929	3.2
107.08588	1.4
109.06505	2.0
109.10159	26.9
110.10495	0.8
117.07005	1.5
119.01904	7.1
119.04940	3.8
119.08575	17.9
119.95113	1.2
121.06476	1.0
122.07281	17.9
123.08086	1.0
137.02971	3.9
137.05968	2.3
137.09618	55.9
138.09969	2.0
142.03520	5.4
142.96700	2.3
147.04449	7.1
147.08026	1.2
160.04518	2.1
165.01874	1.0
165.09113	100.0
166.09436	2.9
170.37721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02384	0.5
53.03943	1.9
55.05500	0.8
56.96556	0.7
57.03423	0.7
65.03937	3.2
66.04719	10.3
67.01862	100.0
67.05489	3.4
68.02197	0.7
69.03427	2.7
69.41962	0.5
69.61263	1.5
69.61691	2.7
77.03920	1.4
79.05489	12.1
81.03409	1.4
81.07054	6.2
83.04975	1.5
91.05473	9.2
93.07017	0.7
94.04184	13.4
94.26412	0.6
94.29243	0.6
95.04965	4.7
95.08612	1.7
101.00880	1.6
103.66788	0.5
105.03394	1.3
105.07049	1.7
107.04948	61.1
107.08614	0.8
108.05262	1.1
109.02888	1.6
109.06494	5.6
109.10147	1.9
115.96445	0.7
119.01915	28.5
119.04967	3.6
119.08581	3.4
120.02013	1.1
121.02872	1.8
122.03640	25.8
122.07294	1.3
123.04462	1.3
123.08078	0.9
124.02515	0.7
127.47707	0.5
133.16385	0.6
135.04422	9.6
136.67648	0.6
137.02950	15.8
137.05952	8.2
137.09599	4.4
138.03168	0.5
138.06294	0.6
142.03490	15.3
142.96692	2.5
147.04414	7.2
147.11722	0.7
150.03145	4.8
160.04553	7.4
165.01813	1.0
165.05470	22.2
165.06868	1.2
165.09097	10.2
165.12727	2.3
166.08577	0.7
168.04189	1.3
179.95937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03958	0.4
54.11310	0.2
55.01873	0.7
55.05504	0.7
56.96563	1.4
57.07080	0.3
60.99396	0.2
64.00214	0.3
65.03929	2.2
67.05501	1.9
68.05029	0.6
68.99789	0.9
69.03426	3.2
69.07063	0.6
70.06595	0.5
71.49673	0.4
73.60747	0.2
79.04517	0.2
79.05487	1.7
80.05022	0.4
81.03420	1.0
81.04534	0.5
81.07057	2.3
82.06591	0.2
83.04995	0.4
83.06101	0.7
91.05480	30.8
92.05820	0.8
93.07033	0.9
94.04163	0.2
94.90828	0.2
95.04971	2.2
95.06098	0.6
95.08599	2.5
97.07656	0.3
97.21376	0.3
97.58545	0.2
101.00874	0.4
103.05485	0.5
104.12428	0.2
105.07027	3.3
107.04961	0.5
107.06089	0.5
107.08611	1.1
109.02892	0.3
109.06514	2.4
109.10153	1.1
111.09162	0.3
119.01947	3.8
119.04939	61.8
119.08569	2.1
120.05270	1.1
120.08095	0.5
121.06544	0.4
121.07645	0.3
121.10146	0.8
122.07176	0.8
123.04439	3.3
123.08051	3.2
123.11716	0.7
124.08686	0.7
125.09465	0.5
133.02834	0.5
133.06427	0.5
133.27139	0.2
135.04379	0.3
136.05263	0.3
137.03017	1.8
137.05969	8.3
137.09605	1.3
137.13222	0.4
138.10228	0.2
141.05435	0.5
142.03468	1.8
142.96678	0.3
147.04405	100.0
147.11679	0.5
148.04767	3.6
148.08678	0.6
150.03117	0.4
151.03888	0.4
160.04564	1.0
165.01836	0.7
165.05476	15.3
165.09102	1.3
165.11359	0.9
165.12767	1.4
166.04913	0.3
183.02863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.14713	0.4
53.03944	2.8
53.79663	0.4
55.01874	0.7
55.05492	0.5
56.96569	0.6
58.22676	0.4
65.03938	3.4
66.04721	10.8
67.01866	100.0
67.05507	2.0
68.02199	1.9
68.02625	0.6
68.99820	0.5
69.03434	2.9
70.92666	0.9
74.69140	0.4
77.03947	0.8
79.05495	9.7
81.03422	0.7
81.07056	5.9
83.04988	1.2
91.05479	7.2
94.04190	13.0
95.04970	3.5
95.08627	0.7
100.79678	0.5
101.00893	1.7
105.03426	0.9
105.04514	0.6
105.07057	1.5
107.04956	63.7
107.08574	0.7
108.05273	1.1
109.02892	2.9
109.06513	5.1
119.01922	13.2
119.04965	2.1
119.08595	1.3
120.02014	0.5
121.02876	1.1
121.10133	0.8
122.03651	26.3
123.08093	0.6
133.02855	0.6
135.04424	6.7
137.02989	5.5
137.04997	0.9
137.05981	8.3
137.09612	0.8
142.03508	7.1
142.96750	0.9
147.04385	3.9
147.11670	1.4
150.03104	5.8
160.04573	2.4
165.01917	0.5
165.05487	17.2
165.06877	1.0
165.09096	0.7
165.12784	1.9
166.05783	0.7
170.40150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02370	0.3
53.03944	0.6
54.03463	0.3
55.01866	0.9
55.05506	0.6
55.95904	0.2
56.05022	0.6
56.96567	2.0
58.06594	0.5
59.06123	0.3
65.03933	2.3
67.05507	2.2
68.05036	1.2
68.99782	0.5
69.03072	0.4
69.03426	3.6
69.04539	0.3
69.07068	0.7
70.06586	1.0
70.19526	0.9
77.03905	0.4
79.05496	1.9
80.05009	0.6
81.03417	0.7
81.04543	1.1
81.07052	2.9
82.06585	0.7
83.04979	0.5
83.06110	1.5
83.93044	0.3
85.02879	0.3
85.07661	0.6
91.05478	30.7
92.05805	0.9
93.07050	1.1
94.06599	0.2
95.04969	3.6
95.06090	0.9
95.08596	2.0
96.04495	0.2
97.07649	0.8
98.07156	0.6
98.51060	0.4
101.00887	0.6
103.05463	1.0
105.03377	0.3
105.04539	0.2
105.07035	2.3
107.04931	0.6
107.06082	1.2
107.08591	1.2
108.05620	0.3
108.08878	0.2
109.02836	0.4
109.06522	1.9
109.07625	0.9
109.10124	1.5
110.07165	0.5
111.04414	0.2
111.09202	0.6
117.07009	0.3
119.01931	5.6
119.04939	61.9
119.08576	2.6
120.02057	0.2
120.04514	0.3
120.05231	1.4
120.08108	1.1
121.02844	0.2
121.07632	0.7
121.10153	0.6
122.03667	0.3
122.07151	1.3
123.04430	5.6
123.08047	2.2
123.11697	0.6
124.08726	1.3
125.09496	0.8
133.02846	1.3
133.06474	0.6
137.02994	3.6
137.05974	6.9
137.07948	0.3
137.09601	1.2
138.05496	0.2
138.06520	0.5
138.09215	0.3
138.10260	0.5
141.05481	0.3
142.03519	3.1
142.96704	0.6
147.04405	100.0
147.11642	1.1
148.04749	3.8
148.07553	0.4
148.08662	1.8
150.03062	0.7
151.03870	0.4
160.04538	1.6
165.01848	0.8
165.05481	13.8
165.07593	1.1
165.09006	2.0
165.11368	2.1
165.12767	1.9
166.04971	0.4
166.08551	0.6
174.62381	0.2
181.57526	0.2
183.02890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89791	0.5
53.03937	2.3
55.01876	1.2
56.96331	0.7
56.96569	8.9
57.03414	1.0
63.92935	2.8
65.03941	1.6
65.91456	0.6
65.92632	17.5
67.05497	2.5
68.05025	0.9
69.03430	1.6
70.06593	1.1
71.58254	1.2
71.95263	1.3
75.10574	0.6
78.95275	3.9
79.05491	1.4
79.95613	0.7
80.94966	32.2
81.03432	1.1
81.04510	0.7
81.07052	1.1
82.99845	1.0
83.05000	0.9
83.06123	1.0
83.93671	3.1
84.08099	0.7
84.96027	1.2
85.02885	0.8
91.05480	19.8
93.07022	1.0
94.04212	0.7
95.04971	32.6
95.08655	0.7
97.02891	1.4
98.96012	3.8
98.97566	0.9
100.02474	0.7
101.00880	11.8
103.05471	2.4
105.04505	1.0
109.06507	2.5
109.07636	1.2
109.10139	1.1
110.07120	0.8
112.03963	0.7
116.98664	1.3
119.01921	100.0
119.04938	34.2
119.08601	2.1
120.01976	4.4
120.05266	1.3
120.08095	2.6
120.98222	1.6
121.05135	1.9
121.06530	1.4
121.97577	13.0
122.94199	1.5
123.04428	36.5
124.02459	2.1
124.04857	0.9
124.08704	1.2
124.93890	11.5
128.98563	1.1
136.07582	1.7
137.02959	50.0
137.05923	4.4
137.06918	0.9
137.09645	1.1
138.03085	2.5
140.95215	1.1
142.03499	49.3
142.94951	9.3
143.03665	2.5
146.99715	1.1
147.04407	30.0
147.08076	0.6
147.33337	0.7
148.04858	1.0
148.06128	1.6
148.07562	0.7
149.05919	0.6
158.96321	1.6
159.96692	1.6
160.04556	21.3
160.96008	20.6
160.97362	1.1
161.01222	1.3
161.02881	0.8
161.04643	0.8
165.05310	4.3
165.06618	1.1
165.11446	1.0
165.96545	2.2
166.04974	1.4
166.07272	4.3
166.08673	4.1
172.04576	0.6
173.01242	0.9
178.97054	1.2
183.97591	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02384	1.4
51.57854	0.8
53.03940	5.5
55.01863	1.5
55.05509	11.4
57.07082	4.6
63.02375	1.2
65.03937	2.3
67.00433	0.8
67.05489	3.5
68.05006	1.0
68.99782	3.1
69.03413	1.3
69.07066	29.6
69.60154	4.7
69.60576	1.6
77.03919	2.0
79.05490	36.4
80.05032	1.0
80.05823	0.9
81.03439	0.9
81.04533	2.2
81.07054	9.9
83.08614	8.0
89.03912	34.9
89.87785	0.7
90.04245	1.2
91.05478	24.0
92.02628	3.0
93.07043	47.0
94.07390	1.6
95.04969	19.6
95.06072	2.9
95.08610	9.9
96.06849	0.8
97.07645	1.0
98.21419	0.9
101.66228	0.8
102.04688	0.9
103.05462	67.8
104.05788	3.0
105.03423	3.9
105.04520	4.2
105.07027	24.5
106.06510	1.2
107.04951	24.0
107.08590	100.0
108.05617	1.2
108.08183	1.1
108.08878	2.4
108.09490	1.0
109.06539	5.0
109.07644	1.5
109.10149	1.8
115.05464	2.9
117.03378	23.0
117.07031	7.1
118.03651	0.9
118.06522	1.0
119.04963	1.1
119.06074	2.2
119.08578	10.8
121.02861	1.7
121.06477	4.4
121.10139	68.2
122.05951	0.9
122.07154	4.1
122.10470	2.9
123.08012	4.9
130.06531	2.8
130.07770	2.5
131.04926	61.7
132.05251	3.4
132.08063	2.8
133.02853	15.2
133.06491	1.0
133.07558	1.4
133.10130	1.3
134.03238	1.3
134.10938	1.2
135.04413	76.7
135.08040	5.3
135.11690	20.2
136.04768	4.9
136.07541	3.2
136.08669	4.1
137.09595	1.1
138.03052	1.1
145.02853	13.6
145.03969	1.7
145.06490	3.6
145.10135	6.7
146.05984	1.0
146.07062	1.5
146.45694	0.7
148.08954	0.8
163.03899	92.4
163.07530	20.3
163.09756	7.2
163.11168	9.6
163.12318	1.0
163.14816	24.7
164.04372	5.6
164.07053	6.3
164.08122	1.0
164.10562	1.2
164.15137	1.1
181.02916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01581	0.8
51.02367	1.6
51.80162	0.8
53.03712	0.7
53.03945	11.1
54.76474	0.6
55.01854	1.7
55.05510	7.9
57.07063	1.4
61.02917	2.9
65.03942	1.7
67.05502	26.8
69.03419	1.2
69.07070	11.2
69.71329	1.0
69.71737	3.5
73.02930	0.9
75.29187	0.6
77.03918	2.9
79.05492	66.5
80.04993	0.9
80.05813	1.9
81.03403	1.4
81.07057	40.4
82.07397	0.9
83.08615	7.6
84.08147	1.1
85.02892	2.9
89.03922	6.5
91.05480	16.9
92.02608	5.0
92.05767	1.0
93.07042	57.5
94.07374	1.3
95.04963	24.2
95.08604	35.6
96.08912	1.1
97.10174	1.1
100.02485	1.1
101.68390	0.8
103.05451	2.3
104.04979	0.8
105.03385	7.0
105.04477	4.3
105.05802	0.8
105.07021	7.9
106.06562	1.4
107.04958	7.2
107.08593	49.2
108.08929	1.9
109.06511	1.9
109.10149	2.9
117.03374	4.5
117.05760	1.7
117.07056	3.4
117.07733	0.7
118.03541	2.1
119.04964	1.0
119.06070	0.7
119.08550	4.0
121.06509	2.2
121.10139	62.9
122.09657	1.2
122.10461	2.8
129.06963	0.7
130.06529	3.5
130.07727	1.1
131.04889	1.7
132.08115	4.5
133.02849	29.6
134.03195	1.6
135.04413	40.7
135.08035	1.8
135.11670	6.4
136.04758	1.4
138.03085	1.7
145.02853	4.2
145.10123	3.7
163.03902	100.0
163.07542	3.3
163.11162	11.3
163.12352	1.7
163.14822	32.0
164.04321	6.3
164.07051	1.3
164.15134	1.9
173.11278	0.7
183.73598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02384	2.4
53.03948	11.1
55.01855	1.5
55.05513	13.5
56.05838	0.6
57.07076	2.6
61.02926	1.8
61.67562	0.6
62.69625	0.6
65.03938	2.2
67.05505	37.5
69.07068	19.4
69.25192	0.6
69.95258	1.7
69.95670	2.5
76.72682	0.7
77.03938	3.0
79.05494	91.9
80.05830	2.8
81.03432	2.6
81.07058	57.3
82.07389	2.0
83.08617	9.2
85.02894	1.0
89.03913	6.9
91.05481	24.0
92.02614	5.9
92.05794	0.8
93.07044	87.2
94.07382	2.4
95.04971	29.7
95.08607	53.4
96.08939	1.7
97.10167	2.4
100.02493	2.1
103.05473	2.1
104.11572	0.7
105.03384	6.6
105.04505	5.6
105.07014	6.8
105.22807	0.7
106.06584	1.6
107.04961	7.9
107.08593	70.3
108.08927	2.4
109.06508	2.4
109.10155	4.5
117.03376	5.6
117.05766	1.7
117.07014	3.5
118.03547	1.7
119.04893	1.4
119.06082	1.3
119.08588	4.4
120.02068	0.9
120.08131	1.4
121.06514	1.8
121.10143	88.9
122.10480	3.5
123.08095	0.8
130.06503	3.8
131.04889	0.9
131.97470	1.1
132.08080	3.0
133.02852	30.8
133.10094	0.8
134.03200	1.4
134.83394	0.7
135.04413	43.7
135.08041	1.4
135.11682	11.2
136.04739	2.1
138.03120	2.7
145.02850	2.8
145.06496	1.5
145.10133	3.6
163.03905	100.0
163.07570	2.3
163.11156	12.1
163.14818	52.2
164.04333	5.5
164.07056	0.9
164.10649	0.8
164.15192	2.8
180.78592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01605	0.6
51.02377	1.4
53.03944	10.9
55.01858	1.2
55.05509	6.0
57.07072	1.6
61.02926	3.4
65.03933	1.5
67.05504	16.0
68.05824	0.9
69.03416	1.0
69.07066	7.9
69.47453	5.5
73.02918	0.9
73.93264	0.5
74.76261	0.6
77.03928	3.3
79.05494	49.6
80.05016	0.6
80.05811	1.9
81.03399	2.1
81.07057	30.0
82.07384	0.8
83.08613	4.6
84.08151	0.8
85.02907	2.2
89.03924	5.4
91.03928	0.9
91.04896	0.6
91.05478	11.1
92.02626	5.8
92.05804	0.5
93.07044	40.4
93.93178	0.6
94.07377	0.9
95.04968	27.9
95.08607	26.6
96.05276	1.4
97.10161	0.8
98.21513	1.1
100.02471	2.6
103.05477	1.6
104.04995	1.5
105.03403	6.4
105.04501	4.4
105.05780	1.0
105.07021	5.1
106.06540	1.3
107.04949	6.0
107.08595	34.0
108.08887	1.2
109.06509	1.4
109.10142	2.0
117.03379	3.5
117.05751	0.9
117.07008	2.2
118.03539	2.5
118.06586	0.9
119.08583	2.3
120.02081	0.7
120.04462	1.9
120.48149	0.6
121.06522	1.8
121.10143	42.3
122.10479	1.0
130.06506	2.4
130.07800	0.8
131.04935	1.2
132.04395	1.1
132.08107	3.7
133.01825	1.2
133.02852	27.8
134.03198	2.1
135.04419	39.7
135.08043	2.3
135.11655	4.6
136.04785	1.9
138.03140	1.3
145.02838	2.3
145.06438	0.9
145.10110	2.0
163.03906	100.0
163.07475	3.3
163.11159	10.8
163.12395	1.9
163.14822	24.8
164.04312	5.8
164.06966	1.0
164.15211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.86623	1.1
51.02357	2.4
51.91582	1.2
53.03947	8.5
55.01873	32.5
55.05508	14.2
57.03436	8.5
57.07074	2.2
59.68797	1.1
62.10965	1.0
62.16455	1.0
63.02377	1.5
65.03932	4.1
67.05505	35.3
69.03426	11.4
69.07073	12.4
69.95238	4.7
71.04971	2.2
76.06831	1.1
77.03919	2.7
79.05492	87.5
80.05009	1.1
80.05821	1.7
81.03411	9.7
81.07056	36.4
82.03138	1.0
83.04981	8.1
84.97298	1.1
89.03916	31.3
91.05479	57.1
92.02625	3.5
93.07041	100.0
95.04970	47.4
95.06032	1.8
95.07991	1.5
95.08602	28.7
96.05327	1.1
96.06847	1.4
97.06502	2.3
99.84032	1.1
103.05468	56.3
105.03378	4.6
105.04536	6.9
105.07027	55.9
107.04953	52.1
107.08594	65.2
107.31258	1.2
108.05282	1.1
109.06514	8.7
115.05446	8.8
116.06239	5.8
117.03379	23.4
117.07018	51.1
118.06499	1.2
118.07354	1.6
119.04933	1.9
119.06118	1.6
119.08578	30.0
119.97993	1.4
120.05688	1.8
120.08917	1.7
121.06507	27.0
121.10136	17.7
122.07098	2.4
122.09668	2.1
128.06218	1.6
129.06981	4.3
130.06525	4.0
130.07782	17.4
131.04926	46.3
132.05254	1.5
132.08109	4.0
133.02850	20.1
133.06487	3.8
133.10129	5.9
134.07253	2.8
135.04416	78.9
135.08043	13.7
135.10681	2.2
135.11688	35.0
136.04781	3.8
143.08574	3.9
145.02853	17.2
145.03914	1.9
145.06476	2.8
145.10117	67.6
146.10471	2.5
147.08015	2.1
148.08800	4.5
163.03906	97.9
163.07538	20.5
163.09901	3.2
163.11171	96.6
163.14833	3.4
164.04262	5.2
164.08054	1.3
164.11513	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	163.1118
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02369	1.7
53.03946	11.8
55.01868	5.2
55.05519	4.1
62.36514	0.8
64.13772	0.5
65.03919	1.5
67.05502	22.0
69.03410	1.1
69.07062	5.2
71.04996	0.8
72.26037	0.6
77.03908	2.8
79.05490	50.6
80.05023	1.0
80.05828	0.7
81.03412	10.3
81.07053	17.1
83.04955	4.3
83.56224	0.6
84.08136	0.8
85.06519	1.1
89.03900	7.1
91.05476	28.4
92.02618	7.4
93.07038	35.9
94.07397	0.9
95.04965	34.8
95.08585	6.8
96.51730	0.7
97.06522	6.1
100.02483	1.8
100.95075	0.6
103.05454	2.2
104.05000	3.4
105.03392	8.5
105.04494	4.4
105.05780	2.8
105.07020	10.3
106.06553	1.2
107.04951	11.2
107.08585	22.4
108.08929	0.7
109.06506	2.5
115.05446	1.7
117.03380	5.3
117.05740	1.5
117.07011	11.4
118.03529	1.3
118.06544	1.0
118.07336	0.6
119.04959	1.0
119.08579	20.3
120.04447	1.9
120.08130	0.9
121.06495	7.2
121.10139	12.3
122.02481	0.6
122.09679	0.9
130.06566	3.2
130.07794	2.8
131.04904	0.9
132.04468	4.1
132.08069	2.6
133.02847	31.5
133.05177	1.2
133.10118	1.4
134.03172	1.6
135.04410	43.9
135.08038	5.1
135.11681	16.5
136.04779	1.6
136.12062	1.0
138.03142	2.0
143.08539	1.3
145.02876	3.5
145.03871	0.9
145.06467	1.9
145.10112	21.3
146.10448	0.8
149.04723	1.2
162.05525	0.9
163.03900	100.0
163.07495	3.0
163.11166	56.4
163.14847	2.9
164.04312	5.3
164.11519	2.3
183.44487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02373	0.4
51.86534	0.2
53.03946	1.3
54.03455	0.2
55.01860	0.7
55.05506	1.0
57.02024	0.2
57.03437	0.2
57.07072	0.2
65.03919	0.4
67.05508	1.2
68.05021	0.2
69.03445	1.0
69.07066	2.2
70.73299	0.6
71.04971	0.3
75.66595	0.2
77.03933	0.5
79.05492	7.6
80.05807	0.3
81.03403	0.5
81.04531	0.4
81.07056	1.6
83.04969	0.4
83.08643	0.2
89.03915	4.2
91.05480	4.1
92.02596	0.5
92.06329	0.2
93.06470	0.4
93.07043	5.6
94.06546	0.2
95.04967	4.8
95.06060	0.3
95.08608	0.7
103.05466	7.1
105.03395	0.8
105.04498	1.1
105.07024	3.8
106.06592	0.3
107.04956	7.7
107.08592	5.9
108.04430	0.2
108.05676	0.4
108.08911	0.2
109.06518	0.6
115.05488	0.9
116.06169	0.3
117.03382	2.7
117.05767	0.4
117.07018	5.1
118.06512	0.3
119.04970	0.2
119.08575	2.1
120.08157	0.2
121.06515	2.3
121.10143	2.8
122.07162	0.6
123.07965	0.5
129.06972	0.4
130.06541	0.8
130.07788	1.2
131.04927	6.3
132.05246	0.2
132.08067	0.7
133.02847	2.8
133.06485	3.3
133.10088	0.2
135.04417	11.2
135.08054	4.5
135.11690	2.3
136.04732	0.4
136.07578	0.4
136.08626	0.6
143.08574	0.5
145.02859	2.1
145.03972	0.3
145.06461	0.7
145.10117	7.6
146.07208	0.3
146.10500	0.3
147.08055	4.8
147.09239	0.4
148.08827	16.8
149.09169	0.6
163.03912	16.5
163.07588	3.2
163.11171	100.0
164.04288	0.7
164.07004	0.3
164.11520	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	163.1117
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02374	1.4
53.03706	1.0
53.03947	13.3
55.01870	15.0
55.05504	6.3
56.96556	1.9
57.03428	5.1
65.03930	2.4
67.05179	1.1
67.05505	18.3
69.03413	4.5
69.07066	6.6
70.04983	2.5
70.05401	1.8
71.04985	2.1
77.03931	2.1
79.05491	47.3
80.05836	1.0
81.03413	5.6
81.07058	14.8
83.04961	3.1
89.03902	6.8
91.05478	26.4
92.02631	5.5
92.05786	0.8
93.07043	46.7
94.07375	0.8
95.04966	36.8
95.08604	12.5
97.06522	0.9
103.05463	8.0
105.03390	6.0
105.04507	6.3
105.07027	26.3
106.06596	1.1
106.07354	1.0
107.04951	21.3
107.08591	31.3
109.06509	3.0
115.05444	4.4
116.03092	0.8
116.06204	2.0
117.03352	4.1
117.05754	1.4
117.07018	25.8
118.03432	1.0
119.04956	1.0
119.08573	11.9
120.02095	0.9
121.06490	10.7
121.10143	8.7
122.04944	1.1
123.56560	0.9
129.06992	2.1
130.06519	2.3
130.07782	9.0
131.04900	3.1
132.08104	2.4
133.02853	28.8
133.06461	0.9
133.10126	2.3
134.03210	1.6
134.07271	1.5
135.04419	39.1
135.08064	5.5
135.11690	14.1
136.04762	1.4
138.03041	1.7
141.87439	0.8
143.08574	3.1
145.02818	2.7
145.06488	1.1
145.10121	29.9
145.73701	0.9
146.10513	1.0
150.06194	2.4
163.03900	100.0
163.07535	10.4
163.11171	36.2
163.12509	2.2
163.14832	1.2
164.04305	5.7
164.11502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
50.01591	0.6
51.02386	1.1
53.03944	3.9
55.01871	6.1
55.05505	1.7
55.70932	0.5
56.96557	1.0
57.03438	0.7
63.02351	0.8
65.03936	5.3
67.05496	6.2
67.09563	0.5
68.05020	0.8
68.99788	7.4
69.03421	5.9
69.07079	1.5
71.01373	1.0
71.58852	0.5
71.59225	0.6
73.26342	0.4
76.89824	0.5
77.03934	1.4
79.05491	40.6
80.05025	0.7
80.05819	0.9
81.03411	1.9
81.04542	1.5
81.07047	3.4
82.05313	0.5
83.06099	0.6
83.08585	0.6
89.03345	0.5
89.03478	0.3
89.03914	16.9
91.05476	65.0
92.02611	2.0
92.05805	1.6
92.06272	1.7
93.03390	0.9
93.07040	18.7
93.07635	1.1
95.04968	18.1
95.06087	1.4
95.08607	3.7
96.05309	0.6
96.06889	1.0
97.07677	0.6
103.05464	29.6
104.06310	1.0
105.03416	2.7
105.04492	2.7
105.07026	26.2
106.06569	1.2
106.07310	0.8
107.04956	13.5
107.08591	69.0
108.05612	1.2
108.08916	2.9
109.06513	12.0
115.05447	14.1
116.06282	0.5
117.03378	10.8
117.05720	1.4
117.07016	23.8
117.63246	0.5
118.03722	0.5
118.07325	0.9
119.04951	3.5
119.06061	3.4
119.08573	9.5
120.05715	6.2
121.02864	0.6
121.06501	18.4
121.10130	4.4
122.07180	2.6
123.07996	1.8
130.06520	3.1
130.07780	1.4
131.04922	24.0
132.05263	0.8
132.08086	2.8
133.02850	11.3
133.06482	0.8
135.04420	36.9
135.08046	100.0
135.11649	2.6
136.04765	1.6
136.07491	0.9
136.08472	4.9
145.02858	6.6
145.03925	0.6
145.06477	7.3
145.10115	4.0
146.07022	0.9
147.08041	0.6
148.05191	5.8
148.06299	0.8
148.08820	2.1
163.03899	55.3
163.07536	36.9
163.09787	3.5
163.11188	20.4
163.12354	1.6
163.14842	1.9
164.04419	2.4
164.07922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
51.02368	0.8
53.03943	1.7
55.01858	0.5
55.05496	0.8
58.02962	0.5
60.55390	0.3
62.05462	0.3
63.02372	0.4
65.03938	1.4
66.04712	2.5
67.05501	2.6
69.07045	1.1
70.96149	0.8
77.03915	1.2
78.03451	0.4
78.04267	0.5
78.04704	8.6
79.05487	7.7
80.05016	1.7
81.03397	0.7
81.05773	0.6
81.07063	3.0
89.03909	2.7
91.05476	8.7
92.02620	2.6
92.04999	5.1
92.05806	0.6
93.03420	0.4
93.05807	0.5
93.07035	5.9
94.04174	1.4
95.04963	7.8
95.08600	2.4
96.04466	0.5
103.05454	0.7
104.04988	92.6
105.03433	3.3
105.05773	100.0
106.02918	1.6
106.05951	0.6
106.06632	5.9
107.04967	1.6
107.07385	2.2
107.08582	3.6
108.04469	2.2
109.05238	0.6
110.06030	1.9
117.03377	2.0
117.05750	0.8
117.07019	0.7
118.06538	9.3
118.07350	0.6
119.03682	1.7
119.07349	0.4
119.08594	1.0
120.04460	47.9
121.05136	0.8
121.06495	18.7
121.10127	3.9
122.06012	1.2
122.06810	0.6
123.06805	14.9
130.02898	6.3
130.03850	0.7
131.03214	1.3
132.04446	42.3
133.02948	4.5
133.05228	55.6
134.02359	3.4
134.06073	4.9
135.04413	10.1
135.06705	0.5
135.07979	0.5
135.11685	1.0
145.02853	1.3
145.07622	0.5
145.10118	1.2
146.02361	0.4
148.03925	14.3
149.04713	20.1
162.05493	26.4
163.02783	0.3
163.03929	15.7
163.06255	16.6
163.11153	2.6
163.14798	2.0
164.04279	0.9
164.07045	1.7
180.32462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.28223	0.8
53.00286	0.9
53.03941	3.5
55.05495	2.3
63.02385	2.0
65.03951	1.1
69.07077	5.8
69.75530	3.5
69.75936	1.8
77.03932	1.0
79.05495	15.9
80.05798	1.1
81.07049	2.8
81.56255	0.8
81.62362	0.7
83.08627	2.0
89.03920	82.8
90.04237	2.6
91.05487	3.4
93.07037	6.8
95.04975	4.6
95.08649	1.2
103.05466	4.0
105.04507	1.5
105.07067	4.3
107.04961	13.6
107.08597	18.8
108.09344	1.1
109.06477	1.2
117.03385	58.1
118.03725	2.2
119.08588	2.0
121.10146	12.5
122.03633	1.5
131.04933	4.3
132.02103	1.8
133.02834	1.3
135.04419	96.2
135.11670	5.2
136.04745	2.3
140.65852	0.7
145.02856	38.1
145.03876	1.5
146.03242	1.2
163.03911	100.0
163.14832	3.0
164.04242	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02178	0.5
53.03953	2.8
55.01877	0.6
56.14473	0.6
63.02371	2.6
69.84436	0.5
70.72260	1.0
70.72589	0.7
78.77508	0.5
79.05489	12.3
87.73528	0.5
89.03915	83.6
90.04277	2.6
91.05489	1.4
95.04968	6.1
96.21291	0.5
96.48387	0.5
103.05469	17.9
103.68929	0.5
105.04510	1.7
105.80060	0.5
107.04948	18.5
107.08606	0.8
117.03376	58.5
118.03709	1.4
119.04949	1.2
122.07179	0.7
123.71237	0.5
131.04930	16.6
133.02852	2.2
135.04411	100.0
136.04770	2.5
136.08601	0.7
145.02849	35.5
145.03867	1.2
146.03209	1.1
163.03902	68.9
163.07524	5.3
163.11090	0.9
164.04248	1.8
173.02913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03946	1.3
59.21732	0.4
61.80256	0.3
62.01598	0.5
63.02369	1.8
70.72266	0.8
79.05493	8.5
79.36170	0.4
89.03918	59.9
90.04261	1.8
95.04972	2.9
96.37987	0.3
97.88051	0.4
103.05542	0.4
107.04953	13.2
108.05263	0.4
115.39632	0.4
117.03380	51.5
118.03703	1.7
119.04903	0.4
123.64616	0.4
131.04959	0.4
135.04414	100.0
136.04756	4.1
143.47981	0.4
144.06769	0.4
145.02850	37.0
145.03888	1.7
146.03165	1.2
158.06044	0.4
160.45207	0.5
163.03905	63.8
164.04230	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96567	1.9
65.03955	0.7
67.05498	4.1
71.04185	0.9
76.93367	4.6
79.05488	2.3
79.94112	0.4
81.07069	1.6
91.05476	24.1
92.05810	0.6
93.07050	0.9
95.04974	0.5
98.97586	1.1
103.05450	1.5
105.07027	26.2
106.07339	0.8
113.02350	0.5
115.05460	8.5
115.80388	0.4
116.06210	4.3
116.98596	1.0
117.07014	41.1
117.96016	2.4
118.06563	0.6
118.07375	1.6
118.96754	1.1
119.08576	13.1
128.06204	2.6
129.07004	26.6
130.07793	25.1
130.08586	0.5
131.08565	100.0
132.08037	0.7
132.08910	5.7
134.99651	1.3
135.97025	1.7
141.01941	0.6
142.07784	2.9
143.08572	2.1
144.09338	26.9
145.09694	1.2
157.10153	4.0
159.08070	1.7
159.11685	98.9
160.09732	4.5
160.12013	5.6
161.79625	0.4
166.73283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.8
59.06113	0.2
65.03934	0.9
69.60249	0.7
69.60676	0.4
81.03438	0.1
81.49784	0.1
84.04464	0.1
86.06039	0.1
88.07629	2.4
90.03433	0.9
92.05001	3.6
98.20783	0.2
100.07589	0.2
102.05569	0.2
103.05435	0.2
105.03416	0.2
105.04515	4.0
105.07030	1.2
107.06011	0.2
114.09174	0.1
115.05435	0.3
118.06557	0.4
118.96771	0.5
119.08558	0.3
123.07162	0.1
132.05571	18.5
133.05774	0.3
133.10138	0.3
135.05530	3.1
160.05061	100.0
160.09669	9.6
161.05418	3.3
161.09947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0968
Annotation	2alpha,3beta,4alpha-Trihydroxynortropane
Peak:m/z	Relative Intensity
52.69302	0.2
55.01890	0.2
58.06597	9.4
69.90422	1.4
70.06589	1.3
73.02895	0.8
82.06581	0.5
82.16632	0.3
86.06043	0.3
88.07629	31.1
89.07957	0.4
100.07630	1.3
102.05539	2.5
114.09161	1.1
116.04735	0.8
126.49344	0.2
140.44862	0.2
160.09683	100.0
161.10049	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	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39420	0.2
55.05920	0.2
55.57222	0.2
58.75966	0.2
60.00665	0.4
61.98026	0.2
62.02304	0.2
62.44795	0.2
62.80031	0.2
67.03801	0.2
68.93187	0.2
70.05077	1.1
81.37994	0.2
82.99850	0.8
91.65749	0.2
101.00878	10.5
102.00983	0.9
102.96825	0.4
116.98641	0.2
118.03506	0.4
119.01917	100.0
120.02007	6.9
120.03222	0.3
120.97893	0.3
121.01595	1.2
124.02443	0.3
128.49681	0.2
137.02954	49.9
138.03093	3.7
139.02684	0.4
142.03490	3.4
143.03679	2.5
144.03253	0.8
157.03433	0.3
160.04584	1.1
161.02982	2.0
161.04782	2.2
162.04338	0.8
179.04012	3.9
179.05659	0.7
180.04027	0.3
180.05388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02369	0.8
52.15088	0.7
53.03938	2.0
55.05501	3.1
56.96567	0.7
65.03931	2.1
67.05504	32.8
68.07771	0.8
69.03411	0.8
69.07072	5.5
71.59425	1.0
77.03903	0.7
79.05493	48.4
79.27023	0.6
80.05827	1.0
81.07055	38.9
83.08583	1.3
91.05482	58.4
92.05790	0.7
93.07040	18.7
95.04979	3.8
95.08609	19.0
103.05466	2.1
105.03416	0.8
105.07030	58.3
106.07355	2.2
107.08564	3.9
115.05469	1.9
117.07016	6.0
119.08580	60.6
120.08923	1.0
120.09363	1.0
121.06488	0.7
128.06187	0.8
131.08539	4.0
133.06520	3.3
133.10133	49.9
134.10475	1.5
134.49640	0.7
137.96745	0.8
143.08575	2.0
145.10133	0.9
146.03593	2.4
146.07312	1.1
159.11690	5.0
161.05984	4.6
161.07162	1.2
161.09619	8.6
161.13257	100.0
162.05472	1.8
162.09114	1.8
162.13609	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96563	2.7
57.41157	0.8
58.06598	1.1
67.05504	1.8
69.06264	0.7
70.93163	2.1
72.04525	0.7
76.93372	3.3
79.05499	1.2
81.07036	0.7
87.00830	0.6
88.07633	4.7
91.05479	18.5
94.94439	0.9
95.04930	0.9
98.97583	3.1
103.05461	1.3
105.07033	19.0
115.05447	6.2
116.06267	5.9
116.98664	3.4
116.99385	0.7
117.01894	1.1
117.07031	15.3
117.95969	2.1
118.06540	0.8
118.96770	1.3
119.08582	19.4
120.08858	0.7
122.41210	0.8
128.06223	3.1
129.07016	29.6
130.07851	4.4
131.04930	1.3
131.08568	37.0
132.08916	1.6
134.99670	4.0
135.96997	2.4
141.01843	1.5
141.06966	4.8
142.07790	1.8
143.08583	3.3
144.05688	7.0
144.09344	43.9
145.06462	1.4
145.09712	1.2
153.96689	1.0
157.10179	3.9
159.08067	25.7
159.11691	100.0
160.05098	2.0
160.08542	1.4
160.09703	23.4
160.11934	5.4
169.07512	1.0
177.24150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01624	0.7
55.01873	8.3
55.05515	6.2
56.02224	0.5
56.05037	3.2
56.96567	5.4
57.03435	1.6
57.07080	1.0
57.93570	5.4
58.06601	1.2
59.06116	1.4
60.04527	2.3
67.05501	1.8
68.05016	3.3
69.03427	22.5
69.07063	2.7
70.06589	22.5
71.04986	1.1
71.15624	1.4
72.04516	7.8
72.08153	21.2
72.93799	0.8
75.94592	2.9
79.05508	1.1
80.05038	0.6
80.99574	0.5
81.03405	1.5
81.04516	1.0
81.05790	1.6
82.06564	1.8
83.06110	2.0
84.04505	9.2
84.08142	6.9
85.02921	0.6
86.06064	26.9
87.04464	64.6
88.04806	1.1
93.95653	1.2
94.06564	31.5
95.04948	1.7
95.06085	0.9
95.06821	0.8
95.07356	7.1
96.04486	29.3
96.08131	9.6
96.44742	0.5
97.07661	0.9
98.06051	90.8
98.96191	0.9
98.97584	13.1
99.04483	1.1
99.05570	1.7
99.06388	1.9
100.07600	0.9
102.05569	0.7
102.09183	1.4
103.05483	0.6
110.06024	0.7
111.05571	0.7
112.07602	20.7
112.11268	1.0
112.55759	5.3
113.05901	0.8
113.07122	2.0
113.07920	1.1
114.05522	24.0
115.05880	0.7
116.07101	1.2
116.97238	15.6
116.98595	16.1
117.05815	0.6
119.07328	0.9
122.06023	10.3
130.06538	1.1
131.08530	0.9
131.99533	0.7
132.08110	0.9
134.03006	1.2
134.95914	0.7
134.99657	15.0
135.06718	0.7
138.05479	1.8
140.00235	0.6
140.07059	100.0
140.10689	17.3
141.01855	1.7
141.07443	2.8
141.11104	0.8
148.96162	0.8
152.96875	4.8
153.00702	2.7
158.01247	0.9
158.08122	29.5
158.09563	6.7
158.11731	13.4
158.13005	1.0
158.15428	1.3
170.98064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.8
56.05025	0.6
56.06281	0.4
56.96563	0.9
57.05809	0.9
57.93570	1.8
59.06134	0.5
61.04047	9.4
68.05014	0.5
69.03430	0.7
69.07073	0.7
69.29898	3.9
70.02972	0.3
70.06593	0.6
70.95863	0.9
71.04987	0.5
71.95898	0.8
72.08154	61.7
72.93784	1.3
73.08495	1.2
73.93820	0.3
74.93833	0.8
75.94618	0.6
83.04967	0.6
83.06113	0.7
84.04501	0.5
86.06068	0.6
87.04478	0.5
88.96898	0.5
98.06049	0.8
98.97585	3.3
99.05588	0.6
103.05421	0.4
103.08729	0.6
111.05564	1.6
115.08688	60.3
115.96391	0.4
116.09009	1.7
116.97230	5.2
116.98595	3.0
130.06506	3.3
131.99559	0.3
132.95802	0.5
133.96011	0.7
133.97404	0.4
134.99663	3.1
140.08154	0.4
148.96169	0.5
150.96915	1.9
151.97044	2.1
152.96912	2.2
153.00624	0.7
157.07634	2.3
157.13356	100.0
158.05972	0.6
158.09547	1.5
158.13734	3.6
175.98508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03944	0.5
55.01624	0.4
55.01873	5.7
55.05515	4.1
55.67840	0.4
56.05023	1.7
56.96553	2.7
57.03428	1.2
57.07058	0.5
57.93559	2.6
58.06592	0.7
59.06111	1.2
60.04516	1.4
67.05497	0.9
68.05024	2.4
69.03077	0.7
69.03427	9.8
69.07082	1.9
69.33633	0.4
70.06590	17.1
71.05273	0.9
72.04505	2.7
72.08150	15.1
74.61785	0.4
74.93804	0.4
75.94600	1.3
79.05480	0.8
80.05007	1.0
81.03410	1.3
81.05795	1.8
82.02938	0.7
82.06584	0.6
83.06108	1.2
84.04505	8.3
84.08139	2.0
86.06061	16.1
87.04465	42.0
88.04803	0.6
93.95648	0.8
94.06564	26.7
95.04958	0.5
95.06088	0.4
95.06847	0.7
95.07363	6.5
96.04488	28.0
96.08125	9.9
97.04836	0.5
98.06049	71.0
98.09675	0.7
98.97575	7.5
99.04460	1.0
99.05568	0.8
99.06409	0.5
102.05534	1.3
102.09180	0.8
105.23921	0.4
112.07603	8.7
112.11224	0.7
112.55737	1.2
113.07123	0.7
114.05521	25.9
115.05929	0.5
116.07095	0.8
116.97233	9.9
116.98579	7.4
119.01977	0.5
122.06026	8.5
130.06554	1.0
131.99556	0.4
132.08096	0.8
134.99649	8.5
138.05460	2.0
140.07057	100.0
140.10672	12.1
141.06482	0.6
141.07439	2.1
141.11079	0.5
148.96147	0.7
152.96896	3.7
153.00740	1.3
158.08134	26.5
158.09587	3.5
158.11734	9.7
158.13014	0.8
158.15433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.72519	0.6
54.03593	0.8
55.01867	2.2
55.05265	1.1
55.05511	17.8
55.93527	1.1
56.96564	10.4
57.03447	4.2
57.07071	2.0
59.04998	1.1
65.03942	3.7
67.05502	44.1
68.05810	0.7
68.99783	1.4
69.03424	5.4
69.07067	4.2
69.96182	2.6
70.44827	2.3
70.95866	12.6
71.01364	0.9
71.04992	16.0
71.08627	22.7
71.94109	1.8
71.95253	0.8
72.93785	100.0
73.02912	1.7
73.97601	0.6
79.05499	2.6
81.03425	5.3
81.07063	8.0
82.06597	1.5
83.04981	11.4
83.08602	1.2
84.04491	0.7
85.02901	13.4
85.06538	1.1
88.96893	6.1
89.02412	0.8
90.94823	36.8
91.05479	6.2
91.25095	0.5
93.07052	8.6
95.04970	7.0
95.08602	37.6
96.08931	1.1
98.21430	0.6
98.98466	9.9
98.99052	1.0
99.04471	4.7
99.08077	8.0
100.08393	0.6
101.06011	0.7
106.97966	1.4
107.08638	0.8
108.95862	15.6
108.96571	0.9
109.02880	2.9
109.06521	1.9
109.10147	16.4
110.06052	2.4
110.10529	1.1
111.04433	8.6
111.08093	0.7
111.98481	3.8
112.04742	0.6
113.02389	0.7
113.05986	5.8
113.96400	37.2
115.05490	1.1
119.08586	3.2
122.06961	0.7
123.04447	1.3
127.03971	3.6
127.07551	3.6
127.11210	2.8
128.06239	6.1
128.07059	1.2
129.05507	1.3
129.99521	4.2
130.01021	0.6
131.97429	50.1
132.03326	2.0
132.95830	8.3
132.97664	1.0
137.02339	1.5
137.06030	0.9
137.08058	0.8
137.09628	2.2
141.03854	4.3
141.06995	0.8
141.54019	1.2
143.08565	1.5
143.54135	0.7
145.06496	1.1
149.97229	7.2
149.98436	1.5
150.04398	2.3
150.06061	0.8
150.96880	34.7
152.54619	1.0
153.07008	0.7
154.90848	0.7
154.99030	8.6
155.03410	5.8
155.07053	12.3
155.08559	2.8
155.10712	2.8
155.97469	2.3
167.98306	1.4
168.97975	2.1
173.98495	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	154.9772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93829	2.8
55.05505	0.3
55.70392	0.2
56.05026	0.5
56.96561	11.1
58.99862	0.4
59.16101	0.2
65.03934	0.2
67.05495	0.4
69.03432	0.2
69.07073	0.2
69.67393	1.0
69.96171	24.3
70.95850	1.2
71.94096	10.6
71.94504	0.4
72.04513	2.2
72.93779	1.5
72.94875	0.3
74.97588	0.2
77.00909	0.6
77.50949	0.2
79.51189	0.3
80.01189	0.8
80.51015	0.9
81.03412	0.2
82.01414	0.2
83.04987	0.4
87.97207	2.0
88.51693	3.7
88.96883	0.4
89.01736	6.9
89.51558	7.5
89.95139	1.1
90.01582	0.8
90.94830	0.4
90.95930	0.2
91.52001	0.2
95.04954	0.3
97.03878	0.2
97.99179	0.3
98.02246	1.1
98.52084	1.1
98.97624	0.2
98.98428	0.3
100.02463	1.1
100.52548	1.5
101.00873	0.7
101.02347	2.7
102.02262	0.2
103.02418	0.3
107.98180	0.3
108.48260	0.2
108.97995	0.3
109.02874	0.3
109.53004	0.2
110.48487	0.2
110.98801	1.0
111.04427	0.5
111.48309	0.2
111.98466	0.4
112.51843	0.3
112.53182	0.2
112.96718	0.3
113.00912	0.4
113.05984	0.3
113.95090	1.0
113.96366	0.3
113.98656	0.7
114.04005	1.6
114.06638	0.2
116.00242	0.4
116.98598	0.2
117.48728	0.7
117.98539	0.6
118.03503	0.5
119.01910	5.6
119.48933	0.3
119.98978	1.2
120.01965	0.2
120.48792	1.4
120.98852	0.3
121.03349	0.2
125.99212	1.3
126.49249	3.1
126.99081	4.2
127.03936	0.3
127.49118	0.6
128.49461	1.6
128.99527	5.0
129.49332	6.2
129.99411	0.9
130.97751	0.2
130.99776	0.2
131.01898	2.9
131.49796	0.8
131.96136	30.3
131.99626	2.7
132.05058	35.1
132.95731	0.8
133.03481	0.9
133.05222	0.6
134.01234	0.5
134.99661	0.2
135.49843	0.2
137.02959	3.1
137.50002	6.3
138.00044	27.8
138.49870	38.6
138.99908	4.7
139.49677	1.4
140.00249	0.5
140.50305	3.5
141.00137	4.1
141.50209	0.7
142.03462	0.3
145.00592	0.2
146.50475	0.2
147.00557	0.5
147.03799	2.4
147.04926	0.3
147.50349	0.8
148.02776	0.2
149.00818	2.2
149.02931	1.1
149.49573	0.3
149.50856	14.8
149.97192	100.0
150.00658	22.3
150.02567	0.8
150.06105	29.9
150.50735	3.1
150.96767	3.0
151.00699	0.5
151.04506	0.5
151.06215	0.6
151.97589	0.4
152.01213	0.4
152.02301	0.2
152.06499	0.2
152.49677	0.2
152.50935	0.4
154.03511	0.2
154.90730	2.1
154.97717	2.4
155.01912	0.4
155.03391	0.4
155.06691	1.5
156.05035	0.4
159.01250	0.2
160.51543	0.2
161.01675	1.0
161.50233	0.4
161.51485	1.7
163.98735	0.2
165.04861	1.4
167.98248	14.0
168.01801	0.5
168.03505	0.5
172.94234	0.5
172.98793	5.7
173.03008	0.8
173.06389	0.2
173.07785	1.2
174.00674	0.4
174.06119	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14111	0.2
53.03933	0.5
55.01875	0.6
55.05510	7.4
56.05036	1.1
56.96551	0.5
57.03434	0.3
57.07076	2.5
58.06603	0.3
59.23750	0.2
65.03943	1.5
66.04279	0.4
67.05505	3.8
68.05020	1.4
68.96324	0.9
69.03426	1.5
69.04550	0.5
69.07069	1.0
69.78799	0.2
69.86125	0.2
69.96150	0.3
70.06592	1.3
70.94255	0.9
71.01358	0.4
71.04990	1.9
71.06109	0.4
71.17896	0.3
71.18238	0.2
71.94096	0.3
72.04525	0.2
72.08164	0.4
72.93790	9.8
74.40500	0.2
79.05128	0.2
79.05499	2.8
80.05007	0.7
80.05853	0.2
81.03419	0.7
81.04514	0.4
81.07056	9.8
82.06585	1.7
82.07378	0.3
83.04988	2.0
83.06081	0.4
83.07360	0.5
83.08613	1.2
84.04497	0.6
84.08141	0.7
85.02945	0.3
85.06529	0.7
85.07664	0.3
86.06065	0.3
87.04459	0.9
88.95312	0.2
89.50529	0.2
90.89004	0.2
90.94830	3.1
91.05483	1.2
93.03387	0.2
93.05771	0.7
93.07036	0.5
94.06560	0.5
94.07371	0.3
95.04965	2.2
95.06064	0.9
95.08598	1.8
96.04491	1.7
96.05278	0.2
96.08128	0.8
97.04025	0.3
97.05280	4.2
97.06510	0.4
97.07639	0.4
98.05498	0.3
98.06062	3.8
98.07174	0.2
98.09692	2.5
98.51026	0.3
98.98466	1.1
99.04461	1.8
106.49150	0.2
107.08601	0.3
108.04488	0.4
108.08120	4.1
108.08857	0.5
108.95879	1.0
109.02868	0.7
109.04024	0.3
109.06519	6.8
109.07613	1.2
109.10158	2.5
109.75246	0.2
109.98935	0.3
110.06046	6.0
110.06797	0.3
110.10496	0.3
111.03831	0.2
111.04460	2.9
111.05618	0.4
111.06832	5.6
111.09176	1.0
112.04759	0.8
112.07612	0.4
112.08691	0.7
113.05991	1.3
113.07156	0.3
113.08268	0.3
113.96400	3.9
114.06643	0.2
118.06539	0.4
123.04402	0.4
124.03900	0.2
124.07562	0.5
125.08376	1.1
126.05522	0.5
126.06327	0.4
126.09145	3.7
127.03918	0.9
127.05041	1.5
127.07551	0.6
127.08623	0.2
127.99976	0.3
129.05484	0.4
130.96309	0.6
131.96120	0.2
131.96352	0.3
131.97440	4.9
136.03899	0.2
136.07567	2.8
136.08681	0.6
137.02315	0.5
137.05965	0.5
137.07144	0.4
137.09616	0.7
137.10672	0.5
137.13295	0.3
138.05527	0.9
139.03534	0.2
139.06285	5.3
140.04704	0.3
148.97360	2.4
149.97214	1.5
152.07045	0.5
154.08627	100.0
154.99069	0.6
155.03387	1.1
155.07088	2.5
155.09053	3.4
155.12958	0.3
155.14256	0.3
167.98360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Isovanillin
Peak:m/z	Relative Intensity
52.57613	0.3
53.00312	0.6
57.03407	0.4
65.03938	5.2
67.05505	3.0
68.02628	0.5
68.99780	1.8
69.03077	0.6
69.03426	8.2
69.07060	0.7
70.12046	1.5
70.94292	0.3
77.15459	0.3
79.05488	1.5
82.04190	5.9
83.04958	1.1
85.02906	14.7
93.03403	4.3
93.24294	0.3
95.04963	1.7
96.02137	0.5
97.06531	12.1
97.72155	0.3
98.21526	0.3
107.04961	0.7
110.03656	14.6
111.04470	1.7
113.05914	0.4
121.02860	1.2
125.05990	35.6
126.06310	1.1
138.03116	33.0
138.94160	0.3
139.03468	1.0
148.97351	0.4
153.05461	100.0
154.05824	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	153.1272
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03926	1.9
55.01868	4.5
55.05268	1.2
55.05510	16.6
56.96570	2.3
57.03436	7.5
57.07066	2.6
59.04983	2.1
65.03936	13.5
67.05501	48.8
68.05001	1.5
68.96318	1.4
69.03423	4.8
69.07066	68.9
69.44669	8.2
70.07382	1.3
70.93905	0.9
70.94254	5.2
71.04987	3.6
71.94102	6.9
71.95258	8.1
76.35886	1.0
79.05491	40.1
80.05003	1.1
81.03437	1.1
81.07053	52.3
83.01302	1.0
83.04980	13.0
83.08627	6.8
85.06532	2.3
87.04460	2.2
88.95267	2.3
91.05466	9.6
91.62968	1.1
93.03387	3.6
93.07038	66.6
94.07380	1.4
95.04973	4.4
95.08601	25.2
97.06525	29.6
97.10196	1.3
105.07019	4.0
105.28133	0.8
107.04948	2.0
107.08588	67.6
108.08911	1.5
109.06514	2.1
109.10149	42.1
110.03643	3.1
110.10471	1.1
111.04469	24.1
111.08076	11.3
111.96886	2.2
112.04789	2.5
112.96684	2.2
125.05993	7.6
125.09595	2.0
126.06321	1.9
129.97891	2.7
130.97701	2.5
133.10086	1.5
135.04428	1.0
135.08055	2.0
135.11684	100.0
136.07568	3.1
136.12051	3.4
137.05923	1.0
138.03087	1.7
138.05119	1.6
143.31020	0.8
148.97368	2.0
153.05495	10.0
153.07475	5.5
153.09155	5.9
153.12744	70.9
154.04955	5.3
154.08621	1.3
154.13094	2.7
154.15894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0499
Annotation	3-Amino-5-hydroxybenzoate
Peak:m/z	Relative Intensity
50.84116	0.2
51.08052	0.2
53.03929	0.5
54.03465	0.4
55.01871	0.4
55.05515	1.0
56.05019	0.6
56.96559	1.3
57.03419	0.3
58.06585	0.2
65.03943	1.7
66.04276	0.5
67.01849	0.3
67.02974	0.3
67.04236	0.5
67.05494	0.8
68.05027	1.1
68.96329	1.8
69.03414	0.8
69.04543	0.9
69.07046	0.2
69.93263	1.0
69.96178	1.3
70.02934	0.2
70.06577	0.5
70.94254	1.7
71.04984	0.3
71.94081	0.5
72.04510	0.2
72.08157	0.3
72.93787	1.7
76.29348	0.2
78.03432	0.2
79.05489	0.3
80.05007	1.5
81.03411	0.8
81.04519	0.6
81.07047	0.6
82.02942	0.2
82.06582	1.2
82.66079	0.2
83.04980	1.0
83.06098	0.6
84.04492	0.4
84.08144	0.5
85.06496	0.3
85.43901	0.2
86.97401	0.9
87.04473	0.2
88.21126	0.2
88.95279	0.6
90.66435	0.2
90.94810	0.5
91.05467	0.2
92.05006	1.6
93.03416	0.4
93.06985	0.2
94.06548	0.6
95.01311	0.8
95.03691	0.3
95.04960	1.4
95.06088	0.8
95.08523	0.2
96.04496	1.1
96.08132	0.4
97.04034	0.3
97.06490	0.2
97.07651	0.4
98.06046	0.4
98.98454	0.5
99.04448	0.5
99.05564	0.5
103.38293	0.2
104.98434	0.2
108.04492	1.6
108.05542	0.4
108.08121	0.4
109.02878	1.0
109.04011	0.2
109.06494	0.6
109.07645	1.1
109.98930	0.6
110.03613	0.2
110.06040	7.1
111.03254	0.2
111.04456	2.3
111.09173	0.6
112.01585	0.2
112.03992	0.4
112.04770	0.8
112.08688	0.3
112.92325	0.2
113.05987	0.6
113.07123	0.4
113.96387	0.5
123.00814	0.4
123.04411	0.5
125.02317	0.2
126.05512	15.5
126.06281	0.6
127.03910	1.1
127.04947	0.3
127.05892	0.3
127.07587	0.3
127.99985	0.4
130.96301	1.4
131.01892	0.3
131.96146	1.3
131.97417	0.6
136.03926	1.3
136.04970	0.3
136.07558	0.8
136.08562	0.4
137.02350	1.1
137.06030	0.4
137.07024	0.3
137.10722	0.4
139.02658	0.4
140.03429	1.1
140.04680	0.9
148.97359	5.8
149.97194	5.6
150.00751	0.4
150.85689	0.2
153.48380	0.2
153.90816	0.2
154.04982	100.0
154.90756	0.9
155.03368	0.8
155.05353	2.6
155.07053	1.2
166.98409	0.2
167.02263	0.2
167.98248	0.6
171.98936	0.3
172.95290	0.3
172.98801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	Paracetamol
Peak:m/z	Relative Intensity
53.03938	0.9
55.01870	0.7
55.05521	0.4
55.27260	0.3
56.96292	0.5
56.96564	7.6
57.03431	1.2
59.04995	0.3
61.02917	0.3
65.03924	1.7
67.05505	0.8
69.03424	0.9
70.06599	0.4
71.04996	0.6
71.57954	0.5
71.95259	0.8
73.02912	0.5
79.05495	1.3
80.92408	0.3
81.03413	0.9
81.04521	0.3
83.04953	0.4
85.02895	0.8
85.76956	0.3
92.04987	2.6
93.05783	4.7
94.06567	1.0
95.05013	0.4
96.08131	0.3
97.02888	1.2
98.97585	1.5
100.02448	0.5
101.00906	0.3
103.02436	1.2
106.06550	1.8
107.04920	0.4
107.07330	1.0
108.08125	1.9
109.05157	0.7
110.03544	2.9
110.06046	13.1
110.97556	1.5
111.04469	0.8
115.02442	0.8
116.98614	1.0
117.03982	0.7
119.01903	2.5
121.03486	0.9
121.08884	0.3
121.15717	0.3
122.06039	2.9
123.06856	1.8
124.07588	1.9
125.04714	1.9
125.06055	0.4
128.04572	1.8
128.98611	4.7
131.01845	0.6
133.03481	0.9
134.04684	0.3
134.06017	2.8
134.99686	0.8
135.03020	3.0
135.05096	0.8
136.05145	0.3
137.02979	0.5
138.05493	1.1
143.01913	0.7
146.99654	5.7
147.01375	2.8
147.03258	0.8
147.05008	0.6
148.01610	0.3
152.05705	22.2
152.07069	100.0
153.04079	11.0
153.06445	0.3
153.07431	2.9
154.02536	0.4
161.02936	1.0
165.00752	1.2
165.02435	0.7
170.01414	0.3
170.03017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
52.14366	0.4
55.02993	1.0
56.57676	0.4
56.96548	1.1
58.06713	0.3
65.03951	0.4
68.99786	0.5
69.13734	0.4
70.60806	0.8
70.61155	0.9
75.65430	0.4
79.05489	1.2
80.02491	0.6
80.05006	0.4
82.04080	0.6
92.05054	0.5
93.66246	0.4
94.06580	0.5
96.08096	0.6
106.06590	2.2
107.03566	0.7
107.04948	2.1
109.05158	3.1
110.03523	15.3
110.06062	2.0
111.04449	1.1
122.06041	0.7
124.07607	1.0
125.05945	0.5
128.04561	7.3
128.98755	0.4
129.43324	0.4
134.04642	1.7
134.06039	2.1
135.03018	16.7
135.04347	0.8
146.99666	0.4
147.19566	0.4
152.05678	100.0
152.07045	21.1
153.04074	49.0
153.05290	1.6
153.06026	1.2
154.02489	1.1
154.04402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03936	0.6
55.01860	0.6
55.02983	1.1
55.05516	0.3
56.96563	4.5
57.03441	1.4
65.03937	2.5
67.05497	0.9
68.05019	0.9
68.99767	0.3
69.03404	0.9
69.07050	0.3
70.06574	0.7
71.39852	0.3
71.40184	0.4
72.21043	0.3
73.02891	0.3
74.34208	0.3
74.93260	0.3
79.05484	3.7
80.02480	0.4
80.05017	1.0
81.03409	0.3
81.05791	0.4
81.07059	0.6
82.04057	1.1
82.06580	0.7
83.04977	0.4
85.02869	0.7
91.02442	0.6
91.05460	0.4
92.04995	3.1
93.03370	0.4
93.05800	1.5
94.06573	1.3
95.04956	1.2
96.04486	0.7
96.08109	0.6
97.02888	0.9
97.06528	0.7
97.07608	0.4
98.97581	0.7
103.02426	0.4
106.06557	4.3
107.03552	0.9
107.04955	5.4
107.06069	0.5
107.07306	0.6
108.04471	0.3
108.05681	0.3
108.08126	1.1
109.02844	0.5
109.05143	3.1
109.07626	0.7
110.03526	14.1
110.06039	12.0
110.97559	0.5
111.04434	1.4
111.05585	0.4
111.06372	0.3
111.09205	0.4
115.02454	0.6
116.98642	0.6
119.01893	1.3
121.01722	0.4
122.06023	2.2
123.04432	0.8
123.06800	1.0
124.03918	0.5
124.05244	0.3
124.07580	3.3
125.04701	1.3
125.05998	1.2
125.06908	0.3
127.06152	0.5
128.04559	10.2
128.98599	1.4
132.05135	0.4
133.03447	0.9
133.07608	0.3
134.03719	0.5
134.04607	1.6
134.06010	6.1
134.06979	0.4
134.99686	0.4
135.03026	16.5
135.04381	2.4
135.05292	0.4
135.09177	0.3
136.01392	1.0
136.07520	0.3
137.03001	0.4
138.05507	1.1
146.99643	1.6
147.01416	0.7
147.05103	0.4
152.05682	100.0
152.07057	92.4
152.10626	0.8
153.04076	47.9
153.05353	2.2
153.07417	2.8
154.02460	1.2
154.04424	0.8
169.57350	0.3
170.03021	0.3
171.05231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.51801	0.8
53.00297	0.7
53.03930	1.9
55.01865	4.1
55.05497	1.8
55.42863	0.6
56.96572	0.7
61.15700	0.7
65.03937	78.2
66.04256	2.3
67.05484	1.4
67.32677	0.5
68.99796	0.8
69.03424	6.1
69.07044	0.9
70.93340	1.4
70.93713	1.2
71.97868	0.7
78.04700	0.9
78.54118	0.6
79.05489	16.1
81.07036	2.6
83.01331	0.7
89.03918	1.9
91.05473	27.8
92.05786	1.3
93.03396	15.9
93.07037	15.8
94.03734	0.7
95.04959	7.0
98.03665	2.8
103.05461	9.3
105.04481	1.2
105.07023	17.4
106.07829	1.4
107.04975	3.8
107.08586	5.9
109.06513	3.5
109.07594	1.0
110.08391	1.2
111.04440	17.0
115.05451	2.3
116.06216	7.3
119.08562	3.9
121.02856	69.4
121.03960	17.3
121.06474	7.6
121.10133	15.5
122.03197	3.3
122.04309	0.8
122.07145	1.2
123.08052	3.4
128.06224	0.7
129.07013	2.5
131.04916	5.2
131.08543	6.7
133.06459	0.6
134.07253	2.1
147.07990	0.7
149.02333	100.0
149.05981	2.5
149.09610	25.5
149.13278	0.9
150.02675	5.2
150.10132	1.6
167.03391	2.0
169.03513	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
53.03944	0.3
55.01860	0.3
55.02990	0.7
55.05503	0.4
56.96563	3.1
57.03424	0.7
59.84236	0.2
61.02910	0.3
65.03940	1.3
67.05489	0.8
68.05007	0.6
69.03416	0.7
69.07056	0.2
69.80231	0.5
69.80643	0.8
70.06588	0.3
71.04963	0.3
72.34927	0.2
73.02917	0.3
75.04446	0.2
79.05493	2.5
80.02486	0.3
80.05008	0.7
81.03407	0.6
81.04531	0.3
81.05801	0.2
81.07063	0.3
82.04086	0.7
82.06567	0.5
83.04979	0.6
83.06120	0.4
85.02897	0.7
91.02451	0.2
91.05458	0.3
92.05015	1.5
93.03390	0.2
93.05769	1.2
94.06553	0.7
95.04964	0.7
96.04493	0.6
96.08113	0.6
97.02904	0.8
97.06593	0.3
97.07665	0.3
98.97576	0.4
100.02474	0.3
106.06557	3.3
107.03586	0.8
107.04951	3.6
107.06077	0.3
107.07340	0.5
107.08537	0.2
108.08076	1.0
109.02863	0.3
109.05138	2.3
109.06496	0.2
109.07632	0.5
110.03526	12.9
110.06039	7.9
110.97504	0.3
111.04462	1.0
115.02425	0.5
116.98618	0.6
117.55256	0.2
118.03516	0.3
119.01881	0.9
121.01644	0.2
121.03514	0.4
122.06023	1.9
123.04423	0.8
123.06805	0.6
124.03961	0.3
124.07590	2.1
125.04693	1.2
125.05981	0.6
126.05386	0.3
127.06120	0.3
127.28642	0.2
127.75198	0.2
128.04562	8.2
128.98619	0.6
129.04024	0.3
131.01825	0.2
133.03476	0.8
134.04610	1.3
134.06017	5.0
134.99620	0.3
135.03020	13.0
135.04381	1.4
135.06711	0.4
135.09192	0.6
136.01392	0.6
136.05133	0.2
137.02925	0.4
138.05461	0.5
145.03534	0.2
146.97453	0.4
146.99632	0.9
147.01398	0.5
147.05031	0.4
152.05684	100.0
152.07053	72.8
152.11838	0.6
153.04074	47.7
153.05356	2.4
153.06024	1.2
153.07431	2.3
154.02489	1.0
154.04439	0.9
165.00647	0.2
173.04945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02371	0.8
52.19854	0.8
53.03944	4.0
55.01867	5.4
55.05501	1.4
64.17974	0.7
65.03938	74.6
66.04261	1.7
67.05495	1.4
68.99774	0.9
69.03408	1.2
71.05311	1.8
79.05492	13.8
81.07040	3.3
88.03969	1.2
89.04318	2.3
91.05477	19.2
93.03404	15.5
93.07043	23.6
95.04961	7.5
98.03658	3.6
99.29433	0.9
103.05443	4.5
105.04491	1.2
105.07027	19.5
106.07806	2.7
107.04940	1.6
107.08586	4.4
108.05688	0.9
109.06510	2.1
109.07648	1.0
111.03715	0.9
111.04443	15.8
115.05470	1.8
116.06229	2.4
119.08585	2.8
121.02859	70.1
121.03960	16.0
121.06456	5.1
121.10146	12.0
122.03197	2.9
122.07136	1.5
123.08094	1.6
129.06963	1.0
131.04939	2.4
131.08516	0.9
133.07532	0.9
135.08046	6.7
149.02336	100.0
149.06055	2.3
149.09613	51.1
150.02667	4.4
150.10062	2.5
167.03400	1.8
169.03525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.01584	0.3
51.02383	0.5
53.03947	3.3
55.01867	1.5
56.96560	0.3
65.03943	23.8
66.04279	0.7
66.73464	0.2
67.05514	2.5
68.99798	0.3
69.70758	1.4
74.52936	0.2
77.03926	0.8
78.04713	1.1
79.05491	0.5
79.63558	0.2
81.03419	0.4
81.07058	0.4
91.05482	100.0
92.05815	3.1
93.03395	2.2
93.07043	11.6
94.07390	0.5
95.04969	10.6
96.05320	0.3
98.03694	0.4
103.04793	0.4
103.05468	4.9
105.03413	1.5
105.04492	1.9
106.04182	2.1
107.08554	0.2
109.06518	25.6
110.06866	0.9
111.04444	2.2
119.06066	6.3
120.06406	0.3
121.02874	9.1
121.03984	2.3
121.06520	0.7
122.03194	0.3
132.08055	0.4
139.07520	1.4
149.02350	12.9
149.05978	9.7
150.02657	0.5
150.06357	0.6
153.85516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03933	1.5
55.05310	0.8
55.05510	8.7
58.90164	0.8
59.90781	0.7
65.03941	9.4
66.92436	0.8
67.05501	2.1
69.07065	2.5
69.29087	8.4
79.05492	7.5
80.05028	0.9
81.07034	1.6
84.04498	1.6
91.05478	100.0
92.05817	6.1
92.96082	0.8
93.07027	3.4
95.04959	2.5
98.21521	1.4
103.05443	6.2
104.06252	1.3
105.07028	65.3
106.07359	2.7
107.04935	0.9
107.08593	8.7
115.05444	2.3
116.06243	3.0
117.07018	16.8
119.04939	48.1
119.08575	95.4
120.04475	0.8
120.05285	2.5
120.08878	4.8
121.07657	1.2
126.65898	0.9
127.56475	0.7
129.07011	2.0
130.07785	1.9
131.08539	2.7
132.05733	1.1
132.09335	6.2
143.08562	1.0
145.10130	8.5
147.04413	22.7
147.05458	1.2
147.08070	4.3
147.09155	1.3
147.11684	36.0
148.03778	0.8
148.04855	1.2
148.08681	1.7
148.12051	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	149.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
52.50591	0.6
53.03934	1.1
55.01862	0.9
55.05499	1.2
65.03940	36.8
66.04270	1.2
66.04713	1.2
67.05489	3.0
67.95990	0.5
69.07056	1.9
72.65869	0.6
78.03456	7.3
78.04690	0.8
79.04253	0.6
79.05500	7.7
80.05011	3.5
81.07059	7.6
91.04240	1.3
91.05474	5.2
92.02606	0.6
92.05000	1.6
93.03407	9.9
93.05791	2.5
93.07031	10.1
94.04203	1.2
95.04951	2.0
95.08592	1.6
96.04493	1.8
98.03677	1.7
98.21520	1.1
103.05450	0.6
105.04534	0.6
105.07024	0.9
106.02914	39.3
107.03268	1.0
107.04942	1.8
107.08597	5.9
108.04489	7.4
111.04445	10.8
118.22116	0.5
119.08614	0.6
120.04464	100.0
121.02861	32.3
121.03963	7.1
121.04800	3.0
121.10136	1.7
122.03223	1.8
131.04910	0.8
134.02377	37.1
135.02716	1.7
135.06734	0.6
136.51740	0.6
148.03970	1.5
149.02341	47.6
149.04729	10.0
149.09637	1.5
149.13234	3.1
150.02673	1.9
150.03761	0.7
167.03473	1.0
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
51.02385	0.3
53.06126	0.3
54.45180	0.3
54.45444	0.4
59.28338	0.3
65.03938	14.3
66.04282	0.3
66.64726	0.3
68.44718	0.3
68.61106	0.3
71.10987	0.9
84.04505	0.4
91.05479	100.0
92.04978	0.4
92.05817	3.9
95.04967	0.7
103.05472	0.3
119.04937	75.4
120.05264	4.1
122.04182	0.3
147.04407	21.1
148.04819	0.8
148.07579	0.4
163.08066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.26444	0.3
53.89032	0.3
55.01877	0.4
55.05526	0.3
56.53676	0.3
59.99828	0.4
63.26552	0.3
65.03938	13.2
66.04265	0.5
67.37969	0.3
69.80347	0.3
70.06026	1.3
79.05502	0.9
84.04480	0.5
91.05480	100.0
92.05809	4.0
93.07077	0.5
95.04980	0.9
103.05469	0.5
105.07025	3.1
111.04461	0.3
117.07030	1.1
119.04942	78.6
119.08569	4.5
120.05276	3.2
120.08097	0.9
147.04411	23.0
147.08054	0.6
147.11690	1.3
148.04732	1.4
148.07556	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.19196	0.3
54.88515	0.3
55.05506	0.5
56.96563	2.3
62.44801	0.3
65.03941	14.2
69.30246	3.6
71.95910	0.3
84.04491	1.4
84.05342	0.3
84.08128	0.7
86.09714	0.7
89.11822	0.3
91.05481	100.0
92.04977	0.4
92.05823	3.6
95.04974	0.5
97.02883	0.4
98.21567	0.7
98.97588	0.6
102.05525	0.3
103.05471	0.6
105.07014	0.6
110.53411	0.3
116.98634	0.3
117.07014	0.5
119.04940	72.5
120.04490	0.7
120.05270	3.7
121.07663	0.4
125.45024	0.3
130.06508	0.5
147.04411	24.0
148.04839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03942	1.2
53.23577	0.4
55.01866	0.7
55.05511	9.7
56.05032	0.6
56.05839	0.4
56.96564	18.6
57.03437	1.5
58.06601	1.7
59.06918	0.5
60.04528	0.5
60.05644	0.8
60.08162	3.6
61.02923	1.0
65.03939	12.7
68.05027	0.4
68.18725	0.4
69.03427	3.7
69.07069	1.7
70.06589	0.8
71.04992	0.7
71.07396	0.6
71.29552	0.6
71.29898	0.9
72.08153	4.8
72.93799	0.4
73.02921	1.0
73.06553	0.6
74.97612	0.8
81.03419	1.1
82.06575	1.1
83.00771	1.1
84.04507	1.7
84.07628	1.1
84.08141	20.5
85.02895	2.4
85.08484	1.2
86.03236	0.4
86.06052	1.7
87.04465	79.0
88.04811	1.6
90.01527	0.8
90.04225	0.6
91.05479	100.0
95.04952	0.9
96.01532	0.9
97.02876	2.1
98.01287	0.6
98.97580	16.8
98.99682	0.4
99.04499	0.5
100.02222	0.6
100.07623	0.8
100.11263	9.2
100.99133	0.8
104.07091	0.6
104.90823	1.2
105.07020	0.6
109.02905	0.7
110.03176	0.5
111.05611	0.5
112.11247	0.9
112.30214	0.5
116.98622	12.0
117.98979	0.4
118.06557	1.5
119.00142	0.7
119.04940	81.2
127.03918	0.6
128.02324	1.4
128.04974	1.2
128.07076	1.7
128.98557	0.5
133.01750	1.0
134.20264	0.4
134.99652	7.5
145.01698	1.0
145.90886	0.4
146.06018	3.6
146.08115	5.7
146.09271	0.8
146.10687	0.9
146.11772	1.0
146.99663	0.9
147.04399	24.7
147.08112	0.8
149.01213	0.7
153.00703	0.6
153.46336	0.4
158.99634	2.2
161.01212	0.5
164.92812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52416	1.1
55.05504	2.1
57.43971	1.2
60.05634	3.0
60.08152	4.4
64.92807	8.1
65.03930	3.4
69.86313	7.6
72.32729	1.4
78.47189	1.0
79.02974	2.0
80.28226	1.2
82.06580	1.5
82.40679	1.1
86.06063	2.3
87.04465	100.0
88.04798	1.8
91.05482	20.4
101.10958	1.2
103.05436	1.3
105.04514	4.0
105.07005	4.2
106.04021	1.9
107.04832	1.3
110.07143	3.5
111.07948	7.0
118.06514	4.1
119.04945	14.1
119.05859	1.6
119.06035	1.3
119.08561	4.6
120.05577	4.4
121.96622	1.5
123.95676	1.9
123.96472	17.9
134.04688	1.2
143.39867	1.3
146.04868	1.9
146.05995	7.6
146.07092	3.0
146.11778	2.1
146.98053	2.6
147.04408	5.8
147.05516	2.6
147.06659	1.7
147.07884	2.0
147.09090	1.4
159.87112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38806	1.1
51.44638	1.0
51.49368	1.2
53.56832	1.1
53.70467	1.1
55.05511	1.9
60.05640	2.0
60.08152	5.7
64.92814	12.2
65.03931	1.9
68.19967	1.2
70.65424	2.6
82.06567	1.6
86.06075	1.9
87.04470	100.0
88.04813	2.9
91.05484	21.1
93.04546	1.4
96.06992	1.1
98.93341	1.3
103.05497	1.8
105.04509	3.7
105.07019	2.4
106.04055	1.5
110.07116	1.5
111.07940	5.0
117.07056	1.3
118.06543	4.9
119.04931	13.0
119.06071	4.0
119.08590	3.6
120.05576	3.4
120.62592	1.2
123.96471	14.7
128.04944	1.4
142.58420	1.3
142.76646	1.3
146.04977	1.5
146.05992	8.2
146.07144	4.4
146.10625	1.1
146.11803	2.6
146.77156	1.3
147.04449	7.3
147.05482	2.1
147.06633	3.4
147.07994	3.1
147.09177	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01868	2.1
55.70559	1.7
56.96553	4.5
57.03416	4.5
62.92972	6.6
67.05499	4.7
70.33492	8.0
71.04995	10.2
79.05476	4.1
81.03405	5.4
82.06567	2.5
85.02868	4.8
91.05476	46.2
99.04449	23.5
102.32357	2.0
103.05461	6.0
105.07030	100.0
106.07358	2.6
115.05457	31.3
116.06259	13.1
117.07019	97.4
118.06538	8.0
118.07343	3.3
120.48632	1.9
121.95840	2.1
121.96598	12.0
127.03944	3.6
128.06219	15.0
129.06999	15.5
130.07784	65.2
131.08144	2.2
139.01837	3.0
143.08531	10.7
145.04996	3.6
145.06512	3.4
145.10120	83.7
146.05981	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
50.37596	0.5
51.02384	0.6
54.07913	0.5
55.05495	0.4
56.28434	0.5
58.89281	0.5
65.03943	6.3
67.49168	0.5
71.03594	0.6
71.03905	0.7
72.08151	2.0
82.06567	1.5
84.04503	0.8
85.72719	0.5
88.07613	0.8
89.03925	0.8
90.04265	2.4
91.05482	76.7
91.48255	0.5
92.05818	1.0
95.04964	0.8
99.04485	0.5
100.04823	0.6
103.05436	0.9
109.06516	0.5
117.05754	7.5
118.06544	100.0
119.04944	40.6
119.06825	4.2
119.08546	0.8
123.32962	0.5
128.04968	15.2
129.05376	0.8
146.06010	44.1
147.04407	13.8
147.05498	0.8
147.06329	1.4
147.11740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01873	0.5
56.05018	0.2
57.03440	0.4
58.06591	0.3
59.06120	0.9
62.01588	0.6
63.02374	5.4
67.05494	0.2
69.03429	1.2
70.06576	0.3
70.34107	0.9
71.04992	2.7
72.08150	0.4
75.02346	0.3
79.05486	1.1
81.03424	0.7
82.06575	0.8
84.67509	0.2
85.02901	1.3
85.04018	1.3
85.07616	0.2
86.06078	0.4
89.03916	100.0
90.04244	3.1
91.05486	0.9
95.04972	0.2
97.02879	0.4
98.21432	0.2
99.04453	5.0
105.07019	0.9
107.04942	0.2
115.05452	0.4
117.03377	33.4
117.07002	0.7
118.03735	1.3
118.06540	1.1
119.04993	0.3
121.96647	0.5
126.32410	0.2
127.03909	1.0
128.04973	0.5
128.07033	0.2
129.06963	0.2
130.06509	0.4
130.07771	0.4
135.04414	1.2
139.01820	0.5
143.08682	0.2
145.02829	1.0
145.05037	0.3
145.06480	0.3
145.07535	0.3
145.10052	0.8
146.05966	1.2
149.27754	0.2
158.06029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
55.05508	0.9
56.05037	0.3
57.03438	0.1
58.06597	23.4
59.04996	0.3
59.06944	0.3
70.06586	0.7
71.04998	0.7
71.07361	0.3
71.26629	0.2
71.26975	0.2
72.08149	1.3
75.85646	0.1
81.03419	0.2
83.04983	0.3
84.08139	20.1
85.02872	0.1
85.08478	0.3
94.06596	0.1
96.62180	0.1
98.09698	1.6
99.04449	0.8
101.06005	0.2
102.05544	3.3
106.39947	0.1
112.84253	0.1
128.07066	0.2
144.10190	100.0
145.09561	0.2
145.10565	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	144.1019
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
53.03944	1.0
55.05494	2.2
56.05042	1.8
58.06600	39.1
59.06110	1.2
60.04520	1.8
60.05628	1.0
62.92988	19.2
67.41243	0.8
69.04554	0.9
70.06567	2.3
71.04986	2.4
71.59801	0.9
71.60190	1.0
72.08144	2.2
81.03428	1.0
82.68397	0.8
84.08142	35.0
85.02906	4.7
85.04007	1.0
86.06078	0.7
98.06055	3.5
98.09686	3.5
99.04454	4.1
102.05537	5.2
103.95630	1.4
105.07045	0.8
109.07642	0.9
111.07964	1.1
112.05103	1.2
117.07089	0.9
121.03996	0.8
121.96641	22.0
126.05576	1.2
144.03740	1.5
144.06599	1.8
144.08118	3.2
144.10194	100.0
144.98218	2.4
145.07556	0.9
145.10483	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82080	1.8
70.24805	9.7
83.71194	1.8
101.00846	6.8
117.23397	2.3
118.03513	7.5
119.01922	100.0
136.04530	7.7
137.02956	55.7
138.03131	2.2
142.03520	17.7
153.03761	1.8
160.04538	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.4
61.92226	2.2
69.03424	3.1
71.49121	4.2
77.00892	2.3
86.94588	2.0
95.01946	2.5
96.08146	2.4
97.02926	3.0
101.00890	6.1
112.16651	2.6
118.03562	2.8
119.01920	100.0
136.04552	2.5
137.02946	60.8
142.03503	9.6
142.08652	4.7
143.03365	22.4
143.11816	3.0
160.02800	3.0
160.04581	6.7
161.02946	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	141.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80259	3.5
55.01862	5.6
55.05510	91.7
56.01381	5.2
56.05025	9.1
56.96561	23.4
57.03431	9.9
57.07058	7.3
59.93101	13.3
67.05489	8.6
67.93545	6.8
69.00905	17.3
69.07059	5.1
69.99313	89.0
70.06577	9.0
71.04974	7.2
71.09603	10.7
71.95255	6.9
73.06548	9.4
81.07040	12.3
85.06527	4.0
87.01945	100.0
95.01302	8.0
95.04981	8.1
95.06024	3.4
95.08591	11.4
97.02884	9.8
98.06060	31.2
99.01914	5.2
99.04455	8.3
99.05566	7.1
99.97911	7.1
100.08723	7.2
105.99010	4.4
112.08681	3.9
113.02354	26.1
115.05441	10.2
116.98621	10.4
117.98949	12.4
118.96756	22.0
121.66742	3.6
124.05853	4.4
134.99657	14.4
135.99995	17.0
138.69717	3.6
141.01704	27.9
141.05472	5.1
141.06543	73.4
142.05034	6.4
142.08688	5.1
153.00606	5.4
154.00999	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	141.0659
Annotation	1-Methylthymine
Peak:m/z	Relative Intensity
53.03943	4.3
55.01871	1.0
55.05512	85.5
56.01392	1.0
56.05040	8.7
56.05843	1.4
56.96557	3.8
57.03442	4.8
58.06609	1.1
59.06111	1.1
59.93119	2.2
60.04535	1.3
65.03943	0.8
67.01871	1.0
67.05508	3.2
67.93583	1.4
68.05025	1.0
68.99813	0.9
69.00917	12.0
69.99316	90.9
70.06599	5.3
70.99682	1.0
71.05001	3.3
71.58773	1.5
72.04536	1.2
73.06556	9.1
81.03443	1.5
81.07059	1.9
83.06087	1.7
84.04501	1.0
84.05658	1.4
87.01954	100.0
88.02271	1.3
95.01348	1.1
95.04958	2.4
95.06092	1.2
95.08603	3.1
97.02898	1.8
97.07716	0.9
98.06057	32.4
98.07133	2.1
98.97588	1.4
99.01937	4.7
99.04474	5.1
99.05576	1.4
99.06370	0.9
99.07471	0.9
99.09203	1.0
100.08751	1.7
109.02879	1.3
111.00848	1.3
112.08669	0.8
113.02357	5.8
115.05448	2.1
116.98615	1.5
117.05479	1.7
118.96762	3.1
123.04446	0.7
124.05899	1.2
134.99626	3.9
135.99969	3.0
141.01823	5.9
141.05545	1.9
141.06575	53.0
141.11324	1.7
142.06897	1.9
142.12254	1.5
153.00731	1.0
154.00963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.9
62.01593	0.6
63.02375	13.5
69.01431	1.4
70.30766	0.8
70.31158	1.3
81.07037	0.5
82.20207	0.4
83.02974	1.1
89.02045	2.5
90.99979	0.7
91.17628	0.4
93.01411	0.9
96.46689	0.4
97.00902	2.9
97.90703	0.4
98.97590	1.1
109.02879	1.9
111.02449	7.5
113.01993	7.3
115.05456	0.6
116.98621	1.1
117.01512	0.5
117.98940	0.9
127.03952	0.5
127.27722	0.4
129.03481	1.0
131.03043	8.0
133.66609	0.4
134.99669	0.9
136.00014	1.3
139.03055	0.7
141.01472	100.0
141.02588	36.1
141.06981	1.2
142.01849	2.8
142.02928	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.6
59.92134	0.6
63.02371	12.7
67.05537	0.8
68.11481	0.7
69.01431	1.4
69.95696	3.4
70.54143	0.5
82.15690	0.7
82.37576	0.6
83.02983	1.1
89.02001	1.4
90.99919	0.8
93.01405	1.4
97.00882	2.4
97.02928	1.2
97.07124	0.6
101.51364	0.5
109.02887	2.1
111.02422	5.9
113.01939	6.2
115.05453	0.6
117.01360	0.6
117.99002	0.6
118.96832	0.8
129.03487	0.7
131.03041	7.6
136.00014	1.3
139.03043	0.8
141.01469	100.0
141.02583	33.2
141.06956	0.9
142.01817	3.0
142.02867	1.0
152.05045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.03470	8.1
54.22427	0.5
55.01865	0.6
55.05487	0.8
56.03774	2.7
56.05033	17.4
56.73205	0.5
56.96562	39.9
57.04547	2.9
57.93565	6.0
58.02960	1.1
58.06585	1.3
59.03740	0.9
59.06125	4.7
60.04501	0.7
62.33773	0.6
65.03946	0.5
66.04275	0.6
67.01854	0.6
67.02994	3.1
67.05483	0.5
67.93575	1.3
68.05028	5.9
69.04558	3.4
69.07068	0.7
69.90688	0.5
70.02908	0.6
70.06575	2.1
71.04973	0.7
71.06109	4.1
71.06866	1.1
71.95264	5.8
72.04496	2.6
72.08157	0.8
77.00941	0.5
80.05019	1.3
81.04086	0.8
81.04537	10.4
82.02920	3.5
82.05312	1.9
82.06570	1.2
83.03703	0.7
83.06099	12.7
84.04504	5.1
85.04008	0.9
85.07668	1.3
94.06567	1.5
95.04949	0.8
95.06081	14.8
95.06693	0.8
95.08577	0.6
96.04515	4.8
96.05608	9.9
97.06389	4.3
97.07664	1.3
98.07173	8.6
98.97578	41.8
99.05575	8.4
100.02475	0.7
100.06345	1.4
100.72962	0.5
105.03841	0.5
110.07189	0.6
111.05528	0.7
112.03999	1.0
112.04696	1.0
113.02361	1.5
113.07124	6.1
116.97335	9.2
116.98608	69.0
118.03559	1.0
119.01917	0.9
119.25431	0.5
122.03212	0.5
122.07159	6.2
123.05550	13.8
123.07975	0.6
123.09199	0.6
134.02986	1.0
134.99649	100.0
136.00032	0.7
136.02730	2.5
136.04549	0.6
137.02997	0.6
139.98666	0.7
140.00204	2.5
140.03369	1.3
140.07094	1.3
140.08170	17.9
140.11792	0.9
141.01797	1.6
141.05554	0.9
141.06540	3.1
148.88716	0.5
148.96188	0.7
153.00696	26.9
153.04124	1.5
154.03786	0.8
158.01219	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03942	7.8
54.03470	5.8
54.95949	2.1
55.01871	7.5
55.05507	26.9
56.04260	1.8
56.05032	8.5
56.96295	3.1
56.96561	47.8
57.03423	8.9
57.04559	2.8
57.07075	6.9
57.93564	6.0
59.04992	8.7
59.06118	3.4
65.03940	64.0
67.05511	16.1
68.05021	3.6
68.99785	4.4
69.03425	70.2
69.07063	23.8
69.86865	11.5
69.87276	3.2
70.06586	4.3
71.04990	2.9
71.06106	4.6
71.95271	5.1
72.04499	2.4
79.05485	28.2
81.04553	5.3
81.07049	11.6
82.07457	2.0
83.04980	39.5
83.06096	7.6
84.04507	3.4
91.05481	12.9
93.03413	14.6
93.07037	50.8
94.07375	2.4
95.04967	14.1
95.06085	6.7
95.08602	47.5
96.05611	4.8
96.08952	3.2
97.02894	3.6
97.06528	41.9
97.07576	3.1
97.10178	2.3
98.07188	25.1
98.97581	52.1
98.98468	8.4
99.05586	7.3
103.05457	5.7
105.04496	3.0
105.07033	42.4
106.07782	2.6
109.06528	2.4
109.10143	5.2
110.07310	5.2
111.04441	100.0
111.08067	17.7
112.04024	3.3
112.04776	4.0
112.08726	4.8
113.07089	2.8
116.97220	8.3
116.98612	85.2
119.08562	6.6
121.02885	4.4
121.10143	63.9
122.07156	14.3
122.10513	2.2
122.60036	2.2
123.05547	19.7
123.08060	6.5
133.07669	2.5
134.99654	86.3
139.03902	41.7
139.05815	5.8
139.07542	2.4
139.08806	2.3
139.09824	8.7
139.11176	61.7
140.03430	5.5
140.07159	3.2
140.08174	17.2
140.11528	2.6
141.06563	3.3
153.00700	19.2
158.01259	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02377	0.8
53.03936	3.4
55.01868	8.8
55.05507	4.5
56.96568	0.7
57.93556	0.5
59.04991	0.8
63.43248	0.6
65.03611	1.1
65.03938	19.9
66.28730	0.5
67.01861	6.2
67.05169	0.7
67.05499	8.2
68.99788	16.8
69.03433	3.4
71.01344	2.7
71.10100	1.1
83.04975	11.2
93.03402	11.7
95.04967	2.6
97.02870	3.3
98.97575	1.6
99.00844	0.5
111.04440	34.6
115.03896	0.8
116.98612	1.7
121.02887	1.7
121.03963	0.8
123.05468	0.6
126.03577	0.5
127.16612	0.5
128.09196	0.5
134.99617	1.4
139.03896	100.0
140.04251	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	139.0389
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
53.03948	2.6
54.03481	3.6
55.01873	5.6
55.05507	7.0
56.03772	1.3
56.05036	12.7
56.96566	21.3
57.04563	1.2
57.51682	0.7
57.93570	2.5
58.02945	0.8
58.06607	1.3
59.05010	0.7
59.06130	3.3
65.03941	42.1
66.04260	0.9
67.01877	3.7
67.03004	1.4
67.05504	11.5
68.05028	3.1
68.99794	9.2
69.03429	10.7
69.04559	1.7
69.07067	5.0
70.06586	2.9
70.99092	1.9
70.99718	0.7
71.01357	2.7
71.05025	0.9
71.06118	2.6
71.95259	2.0
72.04518	1.4
72.08116	0.7
79.01863	0.6
79.05504	2.5
80.05022	1.4
81.04546	5.6
81.07040	1.8
82.02956	1.5
82.05293	0.9
82.06586	1.1
82.99272	0.7
83.04993	9.2
83.06104	7.1
84.04518	3.0
84.05635	1.4
84.08148	1.4
85.07679	0.9
91.05475	2.1
93.03407	14.2
93.03973	1.3
93.07046	4.4
94.06561	3.5
95.04975	10.9
95.06092	7.3
95.06897	1.1
95.08608	3.2
96.04485	1.6
96.05635	6.3
96.08104	0.8
97.02882	2.7
97.03992	1.1
97.06477	5.5
97.07667	2.1
98.03656	1.5
98.06042	1.3
98.07174	10.8
98.97585	21.0
98.98466	6.1
99.05604	3.5
100.06359	1.1
105.07053	0.9
110.06056	0.8
111.04442	61.1
112.04002	1.7
112.04804	2.0
112.07604	6.2
112.08714	4.2
113.06011	1.4
113.07139	2.3
116.97325	5.6
116.98620	33.7
121.02869	100.0
121.03890	3.6
121.10139	1.7
122.03208	4.0
122.06039	1.9
122.07141	6.2
123.05535	7.7
134.03008	1.1
134.99658	48.8
139.03903	64.9
139.05873	3.4
139.07533	1.2
139.08672	1.9
139.09784	8.4
139.11139	2.7
139.12253	0.8
140.00102	0.8
140.03345	1.7
140.04305	1.9
140.07079	3.1
140.08173	11.2
141.06551	1.7
148.96190	1.2
153.00710	14.3
158.01236	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02375	0.7
53.03944	4.5
54.03462	1.5
55.01870	8.4
55.05513	6.0
56.05024	2.1
56.96565	5.6
57.93557	1.0
59.04985	1.2
65.03613	1.5
65.03941	28.3
66.04253	0.9
67.01862	7.5
67.05510	8.1
68.05013	0.9
68.99437	1.2
68.99789	17.1
69.03431	4.9
69.04556	0.7
70.01839	0.7
70.04047	4.0
70.06593	0.8
71.01346	3.2
71.95245	0.9
79.05461	0.7
80.04946	0.7
81.04537	1.4
83.04984	10.2
83.06106	2.1
93.03408	15.2
93.07036	1.2
94.06566	0.8
95.04956	3.7
95.06055	1.6
96.05627	1.5
97.02889	4.0
97.06442	2.1
98.07182	3.1
98.97578	11.0
98.98485	1.6
99.05597	0.9
111.04441	41.6
112.04750	1.6
112.07579	0.9
112.08709	1.3
116.97289	1.0
116.98618	13.7
118.33352	0.7
121.02826	3.1
122.07150	1.3
123.05527	2.1
134.99664	10.5
139.03900	100.0
139.09766	1.6
139.11282	0.7
140.04230	4.0
140.08185	2.7
153.00681	2.1
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	Sesamol
Peak:m/z	Relative Intensity
53.03936	3.3
54.03472	2.3
55.01872	8.3
55.05512	6.2
56.05037	1.4
56.96566	18.3
57.04568	1.6
57.93559	2.2
59.05008	1.4
65.03605	2.2
65.03942	40.3
66.04301	1.2
67.01865	5.2
67.05517	5.5
68.99789	12.2
69.03442	10.0
69.07072	2.4
69.58415	6.7
69.58822	1.6
71.01344	2.7
71.06107	1.3
71.95251	2.0
79.05489	1.8
81.04533	1.6
81.07062	1.4
83.04977	12.7
83.06091	2.2
89.64490	1.0
93.03407	17.5
93.07026	3.2
94.06587	1.2
95.04966	4.2
95.06101	1.9
95.06886	1.4
95.08607	2.2
97.02908	6.2
97.06508	4.0
98.07166	5.2
98.97581	27.4
98.98455	4.6
99.05586	1.8
111.04443	75.8
112.04756	2.9
113.07153	1.0
116.97224	4.5
116.98623	30.7
121.02834	3.0
121.10107	2.3
122.07143	3.7
123.05563	3.4
134.98633	2.3
134.99661	38.1
139.03905	100.0
139.05719	2.8
139.08766	1.1
139.09819	2.9
139.11166	3.2
140.04257	3.5
140.08186	4.0
141.06508	1.2
153.00687	7.9
155.05443	1.2
157.82411	1.2
158.01283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
53.03946	3.8
54.37002	0.5
55.01878	9.7
55.05510	4.9
56.05019	1.8
56.96574	3.5
59.04992	0.7
61.33544	0.6
65.03944	24.8
67.01868	6.9
67.05504	7.4
68.99794	17.5
69.03439	4.9
69.07046	0.7
70.57955	2.0
70.96645	0.6
71.01362	3.2
73.15586	0.5
74.67554	0.7
78.00595	0.5
78.54827	0.6
83.04984	10.5
83.06097	0.7
93.03410	12.9
93.07034	0.9
95.04956	3.0
96.05606	1.2
97.02887	2.5
97.06465	0.7
98.07155	1.8
98.20834	0.7
98.97588	5.1
98.98158	0.6
98.98487	0.8
99.00811	0.9
99.05599	0.6
111.04445	41.1
112.04787	1.3
116.97244	0.7
116.98619	5.9
121.02855	2.1
122.06042	0.9
122.07180	1.1
123.05569	1.2
127.67939	0.6
134.99666	5.3
137.07622	0.6
139.03903	100.0
139.09789	1.3
140.04254	4.3
140.08173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	N-Methylnicotinate
Peak:m/z	Relative Intensity
53.03942	2.2
54.03460	8.8
55.02990	2.3
55.05518	7.9
56.01381	5.1
56.05035	52.0
57.02170	1.7
57.05797	2.8
58.06571	4.0
65.03934	9.9
66.03448	1.5
67.02975	3.0
67.05498	3.8
68.05030	12.8
69.03425	2.1
69.04549	10.5
69.07037	1.4
70.06598	24.0
71.06104	3.8
71.33961	4.1
72.08148	4.9
77.61414	1.4
79.05490	2.8
80.05014	18.3
81.04543	10.4
81.05794	4.7
82.05309	5.4
82.06585	7.3
83.04965	1.8
83.06108	19.8
84.05640	4.0
85.07626	1.8
88.98310	1.5
92.05047	1.4
93.04514	1.9
93.05785	1.8
94.06567	24.7
95.04972	2.2
95.06083	16.8
95.08540	1.5
96.04485	3.5
96.05604	6.9
96.06854	5.6
96.08130	7.2
97.04005	5.1
97.06414	4.5
97.07655	45.3
98.04769	2.3
98.07143	2.0
98.08430	2.5
98.98470	4.4
107.06101	2.3
108.05611	2.2
109.07618	2.6
110.06052	12.7
110.07140	6.7
111.04442	14.1
111.05588	2.4
111.09206	7.7
112.05061	2.0
120.05574	1.5
121.06786	2.4
121.07632	30.2
122.07139	6.4
122.07924	1.7
123.07900	2.5
138.01712	5.6
138.05519	58.5
138.06610	7.3
138.10254	100.0
139.06021	2.5
139.07629	1.5
139.08647	4.8
139.09776	9.9
139.10692	2.2
139.12297	2.8
147.73407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03958	1.2
65.03943	2.4
67.05499	1.6
69.70725	1.4
78.03449	1.1
79.04218	0.4
92.05010	4.0
93.05793	2.0
93.24291	0.3
94.06565	27.3
95.06897	0.5
96.04491	4.6
98.21479	0.5
110.06040	24.5
111.06352	0.5
138.05498	100.0
139.05847	3.1
154.04987	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	1.4
53.03938	2.7
55.01871	1.4
56.00611	0.5
56.96568	1.1
65.03938	3.2
66.04726	10.7
67.05509	6.0
69.03418	0.8
69.53883	0.5
70.07374	3.0
77.03930	1.0
79.05493	7.2
81.03418	2.0
81.07063	5.7
91.05488	8.9
93.07050	1.9
94.04189	70.8
94.06575	1.4
95.04489	1.5
95.05003	5.8
95.08599	3.3
96.04426	0.6
105.03379	1.4
107.04955	3.1
109.06512	4.2
109.10169	1.3
110.06040	2.3
119.04900	0.8
120.04499	0.7
122.03650	83.5
123.03980	3.5
135.04408	0.8
137.02515	4.9
137.05977	100.0
137.09590	1.8
138.01765	1.3
138.05421	4.5
138.06404	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02364	1.0
53.03946	6.6
54.03464	1.4
54.36188	0.6
55.01860	3.3
55.05511	4.9
56.05013	0.7
56.96546	1.0
57.07073	1.3
65.03938	6.8
66.04714	9.9
67.05505	43.0
68.05009	2.0
68.05824	1.0
69.03419	2.8
69.04551	2.1
69.07054	2.9
69.83794	0.8
70.24246	1.4
70.24651	2.9
72.04517	1.1
77.03922	2.8
79.05054	1.4
79.05492	17.8
80.05013	1.6
81.03423	4.5
81.04547	4.6
81.07050	24.3
82.06569	1.9
91.05479	39.0
92.04997	1.3
92.05830	0.9
93.04530	1.4
93.07031	11.5
94.04184	65.9
94.06565	11.1
94.07819	1.7
95.04977	13.8
95.06084	1.4
95.08604	22.6
95.09226	1.1
96.04485	4.0
96.05602	1.9
96.08938	0.8
97.06382	10.2
97.07690	1.2
98.04801	2.1
98.20799	1.2
103.05476	2.4
104.06245	1.8
105.04499	2.0
107.01301	0.8
107.04953	33.9
107.08582	2.2
109.02902	1.7
109.06512	9.6
109.10149	28.3
110.06041	9.5
110.07177	7.4
110.07899	1.4
110.10445	1.2
111.04554	0.8
111.05558	2.3
117.07012	3.2
117.07760	0.7
119.04935	4.2
119.08575	16.9
120.04485	1.9
120.05619	1.0
121.06509	13.0
121.07438	0.9
121.07726	0.7
122.03647	75.1
122.07281	100.0
123.03970	2.6
123.07626	2.6
135.08058	3.9
137.02481	9.2
137.05972	87.3
137.08238	3.8
137.09608	70.2
138.01752	2.5
138.05487	39.9
138.06436	4.0
138.10008	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.9
53.03929	1.0
53.30686	0.8
55.01862	0.8
55.42244	0.9
65.03938	2.2
66.04720	9.5
70.23450	0.7
79.05486	5.6
81.07061	1.0
81.48822	0.7
83.81924	0.7
91.05478	5.0
94.04184	65.0
95.04513	2.8
95.04987	2.3
98.20727	1.8
105.03374	1.3
107.04942	2.7
109.06533	1.0
122.03646	85.6
123.03962	2.4
125.21478	0.8
135.04362	1.2
137.05975	100.0
138.06325	2.1
152.10861	0.7
159.76109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03941	11.1
55.94895	2.5
65.03950	13.3
67.05499	9.9
69.03427	31.3
79.05492	71.1
81.03426	6.1
81.07056	100.0
82.07404	3.5
82.23923	2.4
91.05473	28.2
93.07044	9.0
93.71046	2.6
94.04188	22.0
94.06558	13.0
95.04974	11.3
95.08601	13.5
107.04945	6.3
109.06513	68.1
109.10152	5.2
110.06055	9.9
110.06767	2.5
119.05034	3.7
120.04457	2.6
121.33965	2.3
122.03640	8.1
137.02452	18.6
137.03403	3.7
137.05968	73.1
137.09628	6.2
137.10701	4.2
138.01767	4.4
138.05486	47.9
138.06458	2.2
143.36980	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.57434	0.4
51.02383	0.9
53.00318	0.4
53.03945	2.5
54.03471	1.6
54.76865	0.3
55.01860	1.7
55.05508	1.4
56.03777	0.6
56.05040	0.6
57.07082	0.8
63.64087	0.3
65.03941	4.4
66.04723	10.8
67.05505	11.4
68.05019	1.1
69.03426	1.6
69.04553	1.8
69.07068	0.9
69.36494	3.4
71.02818	0.3
72.04517	0.8
73.98522	0.3
76.75029	0.4
77.03947	1.3
79.05492	9.5
80.05018	0.6
80.05807	0.5
81.03424	1.7
81.04543	5.3
81.07056	11.0
82.06578	1.3
83.06104	1.2
91.05479	12.5
92.05009	0.8
92.05833	0.9
93.03414	0.6
93.04533	0.4
93.05789	0.7
93.07047	3.8
94.04186	73.3
94.06557	6.0
94.07841	0.4
95.04488	1.5
95.04975	7.3
95.06094	1.4
95.08609	9.8
96.04488	1.5
96.05614	2.3
97.04016	0.5
97.06393	7.7
97.07684	0.8
98.04787	0.4
105.03392	0.8
105.04507	1.0
107.04955	4.0
107.08582	0.6
109.02863	0.6
109.06516	7.1
109.07650	0.8
109.10144	4.3
110.06043	5.5
110.07166	5.8
111.05553	1.8
111.09237	0.4
119.04947	1.5
119.06039	0.5
119.08575	1.7
120.04473	0.9
120.05604	0.8
121.06511	1.1
121.07600	0.4
122.03648	82.9
122.07266	6.4
123.03945	2.7
123.06788	0.3
135.04440	0.7
137.02538	3.7
137.05975	100.0
137.09608	7.5
137.10696	0.8
137.13261	0.5
138.01744	0.8
138.05496	20.8
138.06413	4.4
138.09119	0.8
138.10213	1.2
142.55168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99763	0.4
53.03934	0.7
53.21474	0.4
53.40486	0.5
54.03461	1.0
64.30759	0.4
65.03920	1.0
66.04692	0.5
67.02975	1.1
67.05497	0.7
68.05041	0.8
69.03413	0.9
69.04533	0.5
69.94278	2.7
76.24113	0.5
79.05471	0.8
80.04990	1.5
80.05794	0.5
81.03403	1.3
81.04539	1.3
81.07036	1.2
90.04230	0.5
91.05477	4.8
92.02472	1.1
92.05006	1.3
93.05793	0.6
93.07039	0.8
94.04081	7.2
94.06557	0.5
95.04960	1.7
95.06090	1.3
95.08617	0.6
96.06853	2.0
97.06389	1.3
105.42200	0.4
108.04475	1.0
108.08149	0.4
109.01112	1.7
109.05128	0.6
109.06500	1.3
109.07632	2.6
112.05030	0.5
118.06490	0.8
119.03539	16.1
119.04888	1.0
119.06097	0.5
122.03654	2.5
127.03833	0.5
136.02164	16.2
136.06177	100.0
137.02417	1.3
137.04578	10.8
137.05956	4.1
137.06752	0.7
137.08176	1.0
137.10791	0.5
154.04993	1.0
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
51.02370	0.9
53.03956	6.3
54.03461	3.0
55.01871	3.5
55.05502	3.3
56.03769	1.2
56.05025	1.4
56.96561	1.0
57.07094	0.9
65.03947	7.4
66.04726	11.9
67.04235	0.9
67.05165	1.4
67.05505	17.5
68.05020	3.0
68.99767	1.2
69.03422	4.0
69.04540	3.3
69.05347	1.0
69.07053	2.2
71.59260	0.8
72.04490	1.3
75.07050	0.7
76.64623	0.9
77.03928	1.4
79.02991	0.7
79.05071	0.9
79.05492	11.6
80.05047	1.2
81.03428	4.3
81.04533	8.8
81.07062	18.1
82.06571	2.7
83.06099	2.8
84.75795	0.7
91.05484	29.0
92.05002	1.2
93.04516	1.5
93.07063	7.9
94.04188	77.5
94.06564	13.1
95.04984	12.1
95.06071	2.3
95.08611	15.0
95.09184	1.6
96.04504	7.7
96.05637	4.9
97.04018	1.1
97.06401	14.5
97.07673	1.5
98.04776	2.9
105.03377	1.6
105.04497	1.1
107.04969	8.1
107.08571	1.1
109.02850	1.4
109.06518	12.9
109.07668	1.2
109.10171	7.7
110.06050	12.2
110.07185	10.7
111.05569	3.6
113.86469	0.8
117.07027	0.8
119.04958	5.1
119.05739	0.8
119.08599	2.1
120.04448	2.6
120.05554	2.5
121.06492	2.5
121.07628	1.4
122.03648	76.7
122.07275	12.6
123.03967	3.6
137.02525	7.0
137.05978	100.0
137.09630	16.3
137.10686	1.1
137.13303	0.8
138.01741	2.0
138.05498	40.4
138.06470	6.0
138.09151	1.2
138.10196	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	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.0
53.03952	7.4
55.01866	1.9
55.05516	13.4
65.03927	3.6
67.05504	46.8
68.05843	1.3
69.07062	9.0
70.69207	2.1
79.05494	83.7
80.05044	1.8
80.05816	2.6
81.07056	38.3
89.03957	1.3
91.05481	34.7
92.05870	1.1
93.07042	100.0
94.07333	1.7
95.04966	17.6
104.49550	1.1
105.04507	2.4
105.07032	7.4
107.04957	5.9
107.08595	57.2
108.08927	1.9
109.01096	5.1
109.06497	3.6
109.52789	1.1
120.04006	2.3
133.10136	1.8
135.04427	4.5
135.05482	1.3
135.06474	1.7
135.08086	6.4
135.11687	41.4
136.02162	43.8
136.03816	1.6
136.06165	10.6
136.07544	2.7
136.12062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
51.61010	0.0
52.52644	0.0
55.02982	0.2
56.96577	0.0
61.70375	0.0
63.64835	0.0
65.01423	0.1
65.03935	0.4
66.02187	0.1
67.02985	0.9
70.05990	0.1
70.06403	0.1
70.40434	0.0
74.09738	0.0
74.41772	0.0
77.01415	0.0
79.05481	0.1
81.07026	0.1
82.04053	0.3
91.05476	5.9
92.02489	1.2
93.58929	0.0
94.04047	5.3
95.04392	0.1
106.11333	0.0
106.37656	0.0
107.04932	0.1
108.08105	0.1
109.05122	1.1
109.06490	0.1
112.05080	0.8
113.05452	0.0
116.46361	0.0
118.06537	0.0
119.03545	15.3
119.04801	1.5
120.03219	0.1
120.03918	0.3
131.01930	0.1
135.05452	0.0
136.06177	100.0
136.29070	0.0
137.04576	11.1
137.05769	0.6
137.06503	1.7
138.05013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	11.2
55.01863	4.1
55.05513	13.7
57.39060	1.5
65.03931	4.9
67.05502	28.2
69.07063	7.9
69.71508	13.0
79.05492	77.4
80.05014	2.8
80.05772	2.3
81.07058	27.6
89.03934	3.2
91.05476	37.5
93.07044	100.0
95.04967	20.0
95.81686	1.7
105.04492	3.5
105.07047	9.0
107.04945	9.9
107.08591	56.4
108.08979	2.7
109.01110	8.7
109.06527	2.8
115.05479	1.8
115.38188	1.6
117.07010	2.0
118.06586	1.8
119.03554	3.2
119.08546	2.8
120.09326	1.7
135.04424	8.4
135.05496	4.0
135.08055	6.4
135.11691	31.7
136.02161	89.1
136.05173	2.7
136.06183	23.8
136.07558	8.5
136.12068	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.25802	1.1
53.03941	9.8
55.01860	2.5
55.05307	1.3
55.05515	14.2
65.03932	4.1
67.05504	35.9
67.82211	1.2
69.03428	2.2
69.07075	9.2
69.89580	1.3
71.03034	1.3
71.59212	2.1
79.05492	82.8
80.05019	2.7
80.05817	2.9
81.07051	34.7
86.37153	1.2
87.87583	1.2
89.03919	2.4
90.12981	1.3
90.73499	1.4
91.05485	39.5
93.07045	100.0
94.07336	2.6
95.04975	19.6
105.04503	3.9
105.07028	10.6
107.04970	9.1
107.08595	56.8
108.04464	1.5
108.08112	2.1
108.08894	2.5
109.01110	8.1
109.06503	2.3
115.05456	2.0
117.07014	2.4
118.06574	1.5
119.03558	3.7
119.08531	2.1
124.23355	1.3
132.20261	1.3
133.10159	1.6
135.04422	5.1
135.05426	1.8
135.08080	7.9
135.11690	40.1
136.02165	76.5
136.03824	2.3
136.05135	2.3
136.06175	24.4
136.07466	6.6
136.12088	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.01607	0.6
50.45185	0.5
51.02373	0.7
53.03945	7.8
55.01869	2.3
55.05262	1.1
55.05512	13.5
57.08085	0.5
60.50866	0.6
62.49300	0.5
65.03950	3.0
67.05505	45.9
68.05849	1.1
69.02092	0.6
69.03436	0.9
69.07063	9.6
70.49918	2.3
77.03927	1.7
79.05492	76.1
80.05818	2.1
81.03435	0.6
81.07057	39.2
82.07397	1.1
91.05479	30.4
93.07041	100.0
94.07358	2.5
94.07845	1.4
95.04967	16.9
105.04502	3.3
105.07024	8.1
107.04962	3.2
107.08592	49.1
108.08933	2.1
109.01113	2.2
109.06499	2.5
118.06519	1.1
119.03554	0.9
119.06076	0.6
133.10115	1.5
134.12315	0.5
135.04379	2.2
135.05321	0.6
135.08086	4.4
135.11688	39.5
136.02161	20.8
136.03882	0.8
136.06158	5.0
136.07549	1.5
136.12039	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11300	1.4
53.03946	10.1
55.01857	3.8
55.05516	12.3
60.47635	1.1
65.03919	5.2
67.05502	37.9
69.03427	1.9
69.07069	8.4
69.47379	11.1
76.73011	1.3
77.03916	1.8
77.24501	1.4
79.05493	77.9
80.05017	1.8
80.05834	3.2
81.03412	1.9
81.07056	31.2
89.03922	3.1
91.05479	40.7
93.07042	100.0
94.04098	1.5
94.07357	2.5
95.04969	24.5
105.04523	3.5
105.07018	9.0
107.04950	11.7
107.08597	55.9
108.08881	2.0
109.01096	10.7
109.06523	3.6
112.03941	1.6
115.05454	1.9
117.06984	1.8
118.06546	2.9
119.03577	3.1
119.06048	1.3
119.08603	1.7
133.10155	1.9
135.04410	7.8
135.05463	2.6
135.06572	1.9
135.08104	6.2
135.11685	42.8
135.12715	2.1
136.02162	91.1
136.03891	3.5
136.05147	2.5
136.06175	21.7
136.07516	7.0
136.12027	2.8
137.04594	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
50.34538	1.0
52.87111	0.8
53.03949	5.2
55.01863	5.8
55.05499	3.9
61.91232	0.9
63.02348	1.0
65.03938	12.0
66.27245	0.9
67.05498	7.2
68.05018	4.4
69.03418	2.6
69.07040	1.9
69.95193	4.9
73.27583	0.8
77.03926	1.3
79.05492	54.7
79.95535	0.8
80.05009	2.6
81.03391	1.4
81.07047	2.9
89.03909	11.2
90.04253	1.2
91.05479	100.0
92.05791	3.3
92.06281	2.6
93.04479	1.2
93.05795	1.3
93.07040	20.3
95.04968	15.2
95.06068	2.2
95.27069	1.0
96.06862	4.3
98.95336	1.1
103.05463	1.2
105.04478	2.0
105.07027	31.2
106.07338	1.2
107.04952	13.1
107.08590	57.3
108.04463	1.7
108.08132	1.3
108.08842	1.7
109.01097	3.7
109.06517	13.0
109.07647	4.0
115.05453	22.3
116.06261	1.5
117.03342	2.8
117.07014	9.0
118.06558	1.0
119.06077	5.9
119.08568	4.4
120.05697	3.0
120.09377	1.7
121.06481	1.6
131.83687	1.1
135.04457	12.9
135.05420	1.7
135.08046	83.6
135.11650	7.6
136.02159	42.5
136.03793	1.8
136.05115	1.8
136.06184	10.1
136.07500	3.5
136.08380	5.3
143.17743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.47143	1.2
53.03951	9.3
55.01870	2.4
55.05515	13.8
56.96561	1.1
65.03919	3.7
67.05174	2.4
67.05504	28.5
67.07753	1.2
68.04977	1.4
68.28727	1.1
69.03410	1.6
69.07058	9.8
69.64346	1.1
69.81203	4.8
69.81609	2.3
77.03963	1.5
79.05491	77.4
80.05012	1.6
80.05781	1.3
81.07053	28.8
89.03904	5.0
91.05476	43.0
92.05793	1.3
93.07039	100.0
94.07349	2.8
95.04965	17.9
105.04551	2.1
105.07034	13.2
107.04945	11.4
107.08590	66.2
108.08887	2.4
109.01109	8.7
109.06519	5.1
115.05474	2.1
117.07034	1.5
118.06511	2.4
119.06104	1.5
119.08543	2.4
133.10155	1.3
135.04404	9.1
135.05383	2.0
135.06580	1.6
135.08037	8.3
135.11691	39.3
136.02156	48.7
136.03830	2.4
136.05148	1.9
136.06181	15.2
136.07547	6.0
136.08493	1.8
136.12080	1.4
137.04559	2.3
138.27213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02349	1.1
53.03940	4.2
54.77634	0.7
55.01628	1.0
55.01874	12.7
55.05503	2.1
65.03943	10.7
67.05507	9.4
68.05008	1.7
69.03428	14.4
69.03773	1.6
71.16660	1.8
73.55016	0.7
79.05494	52.4
80.05000	2.1
80.05807	1.2
81.03412	1.0
81.07043	3.1
89.03917	3.1
91.05482	100.0
92.05807	2.5
92.06282	2.0
93.05798	1.3
93.07049	17.9
94.06580	0.9
95.04974	13.7
96.06842	1.0
105.04522	1.2
105.07030	30.2
106.07310	1.2
107.04963	11.7
107.08591	45.8
108.04484	1.4
108.08138	1.3
108.08866	1.9
109.01109	9.4
109.06512	14.6
112.03976	0.8
115.04683	1.6
115.05456	26.1
117.03323	1.1
117.07019	17.8
118.06528	1.9
118.07327	1.1
119.03558	1.8
119.06070	4.8
119.08584	3.0
120.05732	2.0
120.09341	1.0
135.04416	8.3
135.05544	2.4
135.06541	1.3
135.06911	1.3
135.08052	27.1
135.11687	4.9
136.02167	57.8
136.03912	3.3
136.05069	1.9
136.06160	16.2
136.07497	5.3
136.08440	1.6
137.04584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02387	0.9
53.03938	4.6
63.02377	4.4
68.64573	0.9
69.68987	6.1
79.05495	16.0
89.03920	100.0
90.04250	3.2
91.05461	1.8
93.07038	1.3
94.06564	1.0
95.04981	8.5
96.06902	1.1
98.21485	1.5
105.04497	2.2
105.07044	1.0
107.04959	16.1
107.08590	2.8
108.05307	1.3
117.03383	28.2
135.04422	42.9
135.08084	1.1
136.02144	6.3
136.04813	2.2
136.06161	1.8
136.08627	1.1
149.88333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
52.35649	0.7
53.03951	7.4
55.01883	1.9
63.02381	5.7
65.03934	1.4
67.05503	1.5
68.05038	1.6
70.85470	2.3
73.29486	0.8
74.11584	0.8
77.03927	1.5
79.05497	31.3
80.05009	1.1
81.03364	0.8
81.07059	0.8
87.05595	3.4
89.03922	100.0
90.04247	2.6
91.05492	10.8
93.07040	3.8
94.06522	0.8
95.04967	15.6
95.06039	1.5
96.06867	3.1
105.04509	2.3
105.07019	3.2
105.85892	0.9
107.04962	33.1
107.06061	1.4
107.08591	7.4
108.08107	1.0
109.01092	2.3
109.06516	1.8
109.07647	2.0
115.05470	2.5
117.03377	28.4
117.07024	0.9
118.24162	0.8
119.06039	1.0
133.02884	1.3
135.04424	65.0
135.08067	5.8
135.11629	1.2
136.02173	22.7
136.03809	1.1
136.04819	3.4
136.06195	8.6
136.07590	2.4
136.08730	2.2
137.04572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0812
Annotation	1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
55.01871	64.5
55.05266	1.7
55.05513	21.6
56.05039	23.6
57.03428	3.6
69.03423	1.7
69.56066	10.0
69.74496	1.5
70.06593	53.2
71.04992	84.7
73.02918	1.6
74.02433	8.2
88.03973	4.7
98.06054	100.0
98.20770	3.2
99.04456	21.4
99.06390	1.7
116.07090	21.1
117.05441	2.8
134.08136	7.4
134.11768	1.6
134.89705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02375	5.5
52.56693	1.8
53.03705	3.0
53.03942	39.8
55.01863	8.0
56.96295	2.7
56.96566	51.9
57.91849	1.9
65.03934	20.5
67.01855	6.0
67.05508	5.1
69.03428	11.9
69.95007	10.8
77.03921	6.8
79.05490	100.0
80.05865	2.4
81.03408	4.7
81.07064	3.3
89.03926	14.1
91.05474	41.0
93.07038	12.2
95.04967	90.8
96.05315	3.6
105.04503	18.2
105.07023	4.7
107.04957	40.0
107.08587	14.7
109.01101	8.5
109.06535	2.8
115.05447	5.9
117.03387	2.8
117.07027	3.4
118.06551	3.2
118.69447	2.0
119.03530	2.5
128.06206	34.6
129.06584	3.1
130.14021	1.9
135.04407	55.6
135.05403	2.0
135.08098	9.5
135.11690	6.6
136.02158	58.3
136.04805	2.8
136.06186	14.7
136.07535	4.7
137.04655	2.0
141.03867	4.9
143.08575	4.3
145.06464	3.9
150.04359	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02382	0.6
53.03935	2.0
55.01861	1.8
55.05504	3.5
57.03431	0.9
57.39412	0.4
58.02978	0.6
58.05326	1.6
65.03932	1.5
67.05476	0.9
69.03422	0.7
69.71204	3.1
70.06595	0.8
71.04980	1.2
74.02440	3.0
77.03923	1.5
79.05062	1.0
79.05491	12.7
85.04038	0.5
87.05587	1.0
88.03999	1.3
89.71502	0.5
91.05477	32.1
92.05785	1.3
93.07039	7.1
95.04982	5.6
98.06036	1.7
103.05468	8.3
103.64355	0.5
105.03386	1.1
105.07026	100.0
106.06638	0.8
106.07327	3.9
107.08597	1.5
112.94537	0.5
115.05456	9.0
116.06248	1.7
117.07015	10.3
118.07809	7.2
131.08572	8.2
133.02835	1.4
133.06499	11.4
133.10124	65.2
134.06003	1.7
134.07097	2.3
134.10457	2.5
146.33760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0713
Annotation	2-Aminobenzimidazole
Peak:m/z	Relative Intensity
51.02374	0.3
53.03932	0.7
55.01861	0.9
55.05497	0.4
56.05031	0.5
56.96562	0.2
57.21292	0.2
59.06099	0.2
60.04525	0.3
63.02363	0.6
65.03936	2.8
67.05511	0.3
68.27863	0.2
70.06579	0.8
70.87592	0.3
70.87925	0.4
71.04989	1.4
71.05590	0.2
74.02445	0.5
74.08147	0.2
75.05603	0.4
78.04697	1.0
79.05491	3.2
80.05011	1.0
87.05582	0.7
88.03975	0.2
89.03918	9.3
91.05478	1.2
92.05003	13.2
92.90070	0.2
93.05284	0.3
93.05798	2.5
93.07027	0.6
93.99958	0.2
95.04968	2.1
98.06053	1.9
99.04427	0.3
104.05708	0.2
105.03386	0.6
105.04467	0.2
105.07019	0.5
105.24256	0.2
106.04162	0.3
106.06536	0.6
106.07357	0.6
107.04961	3.4
107.06065	3.5
107.08610	0.9
116.07074	0.3
117.03374	2.8
117.04478	0.5
133.06300	0.4
134.07132	100.0
135.03395	0.3
135.04433	6.1
135.05518	0.7
135.06584	0.4
135.07455	3.0
135.09050	0.3
150.99544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01874	56.7
55.05510	17.4
56.02202	1.1
56.05036	22.0
56.28798	1.0
57.03427	2.5
58.20288	1.0
68.24398	0.9
69.03420	2.0
70.02970	1.1
70.06200	1.6
70.06594	46.9
71.04995	78.3
72.05292	1.0
74.02034	1.8
74.02444	27.4
74.06090	1.1
75.02765	1.2
75.58000	1.0
79.05476	2.0
85.28622	1.2
88.03986	11.4
90.47330	1.0
98.06057	100.0
98.19320	0.9
98.21627	1.7
99.04458	19.7
99.06365	2.7
107.04966	1.9
116.07090	19.8
116.53078	0.9
117.05536	2.0
126.22434	1.0
134.06021	1.8
134.08134	7.2
134.11803	1.3
134.18359	0.9
135.04434	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02369	0.9
53.03944	3.4
55.01867	0.7
55.05510	5.1
58.05337	0.6
65.03942	1.8
67.05491	1.3
71.04993	0.9
71.34099	0.9
74.02443	8.7
75.05600	0.6
77.03917	1.5
78.04697	0.5
79.05489	15.2
88.03977	2.8
90.04690	0.6
91.05479	39.5
92.05791	1.1
92.06290	0.4
93.07044	8.6
95.04976	6.3
98.06042	0.8
103.05464	9.2
104.06272	0.4
105.03369	1.4
105.07026	100.0
106.06709	0.6
106.07343	3.4
107.08580	1.9
115.05449	11.3
116.06314	1.8
116.07041	0.6
117.07016	15.6
118.07806	12.9
119.08136	0.5
129.06995	0.9
131.08571	10.7
133.02873	0.9
133.06490	5.4
133.10124	96.0
133.67543	0.4
134.06030	0.7
134.07042	0.6
134.10455	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03934	3.2
55.01863	1.3
55.05511	3.9
63.09520	0.7
65.03953	1.1
67.05493	1.0
69.28947	1.2
69.29356	6.4
71.04982	0.6
77.03939	1.7
77.83166	0.8
79.05499	15.2
82.32461	0.5
89.26221	0.6
91.05484	37.0
92.05778	1.4
92.06312	0.7
93.07044	8.9
95.04951	4.5
98.06077	1.0
99.04411	0.7
103.05473	7.4
105.03371	0.8
105.07033	100.0
106.06733	0.6
106.07367	3.4
107.08572	2.4
115.05464	11.5
116.06244	2.4
117.07018	15.1
118.07819	12.7
129.07016	1.2
131.08565	14.2
133.06522	6.6
133.10132	86.9
134.06023	0.8
134.10454	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02370	1.1
52.59012	0.9
53.03952	6.5
55.01860	0.9
55.36576	0.7
65.03922	0.9
77.03928	1.8
79.05493	52.2
80.05828	1.4
81.03423	0.8
85.50702	0.7
91.05479	5.2
92.05824	3.8
95.04964	13.3
103.05470	30.9
105.04521	2.2
105.07030	100.0
106.07373	2.4
123.08064	32.7
124.08380	1.1
126.43842	0.8
133.06488	21.0
133.07600	8.1
133.08472	1.1
133.10153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03949	3.1
54.04266	0.3
55.01670	0.3
55.01873	3.8
55.05502	1.0
56.05026	0.5
57.03439	0.5
58.05352	0.8
65.03935	0.5
68.01280	0.4
69.03416	0.6
69.43143	3.0
70.06580	0.6
71.04999	0.8
74.02435	1.6
75.05580	0.4
77.03919	1.5
78.04704	0.4
79.05490	19.2
80.05817	0.6
82.25726	0.3
85.02885	0.5
85.04032	0.4
87.05576	0.4
88.04000	0.6
91.04288	0.4
91.05475	8.9
92.04979	0.4
93.07044	1.7
94.04185	0.5
95.04960	6.1
98.06047	0.9
98.21516	0.6
103.05462	13.6
105.03369	1.3
105.04515	1.3
105.07024	100.0
106.06635	0.6
106.07364	3.9
107.04935	1.1
115.05450	6.4
117.06987	2.1
118.04153	0.9
118.07809	2.3
131.04938	1.4
131.08548	2.4
133.02834	1.1
133.06485	56.9
133.10123	13.1
134.05946	0.7
134.06960	3.4
140.24170	0.4
143.06078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.58523	0.4
51.02376	1.0
53.03943	2.2
55.01875	4.5
55.05513	1.5
56.96553	0.9
65.03927	1.0
67.05491	1.1
71.58658	0.4
71.59055	0.7
77.03927	1.2
79.05495	20.4
80.05827	0.7
91.05485	13.9
92.05842	0.6
93.07024	0.9
95.04974	6.1
98.06026	0.7
100.15893	0.5
103.05465	13.9
105.03407	1.2
105.07030	100.0
106.06606	1.0
106.07365	3.4
107.04952	1.5
109.48785	0.4
115.05460	6.7
117.07044	1.6
118.04213	0.9
118.07789	1.4
131.04903	1.5
131.08578	2.0
132.90492	0.5
133.02905	1.1
133.06494	54.4
133.10136	9.3
134.05986	2.1
134.06848	2.8
136.88983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
51.37354	0.4
53.03954	2.2
55.01868	4.1
70.19199	1.7
78.30479	0.4
79.05495	19.3
80.05855	0.4
87.11400	0.4
90.56549	0.4
91.05475	3.9
95.04956	4.4
103.05467	15.2
105.04552	1.1
105.07031	100.0
106.07362	3.6
107.04955	2.0
115.05469	6.0
121.45217	0.5
131.04900	2.6
131.08524	0.4
132.05684	1.3
133.06493	60.4
134.06871	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03942	1.1
55.01842	1.0
56.05046	1.1
56.96561	4.1
57.03429	1.5
58.06587	1.0
69.07075	5.0
71.51718	2.1
72.08147	1.3
72.93778	1.6
74.06064	1.9
80.18826	1.0
84.08102	1.1
86.06064	1.5
86.09705	100.0
87.10012	2.2
88.47504	1.0
90.90377	1.1
93.27029	1.1
96.00428	1.1
103.05396	1.1
104.04997	1.0
104.05743	1.1
105.07024	4.0
112.02151	1.7
117.05732	2.0
123.07935	2.4
124.62401	1.0
130.06386	1.3
132.06529	1.3
132.08075	1.9
133.06488	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01595	0.5
51.02369	0.4
53.03947	2.6
55.01875	3.6
55.05508	0.9
57.03428	0.5
58.05339	0.7
62.54881	0.3
65.03934	0.8
69.03425	0.6
69.44021	2.7
71.04992	0.9
73.06522	0.3
74.02429	1.0
75.05595	0.5
77.03923	1.4
78.04693	0.4
79.05492	20.5
80.05823	0.6
87.05623	0.3
87.78375	0.3
88.03996	0.5
90.04691	0.4
91.05476	8.4
92.95551	0.3
93.07041	1.1
94.04199	0.4
95.04971	5.9
98.06039	0.6
103.05464	15.0
104.05750	0.5
105.03380	1.3
105.04526	1.4
105.07028	100.0
106.07346	2.7
107.04939	1.8
115.05456	6.5
117.07034	2.1
118.04167	0.8
118.07792	2.1
131.04892	2.0
131.08586	2.1
132.05675	0.4
133.02834	1.2
133.06488	57.8
133.10121	11.1
134.05969	0.9
134.06943	2.6
134.10524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0443
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02372	3.8
53.03947	17.7
55.01864	1.2
57.03424	1.0
69.60561	2.4
69.60994	2.6
77.03937	4.9
78.03465	2.1
78.04707	3.3
80.05022	0.7
81.03413	1.8
86.64386	0.6
89.03907	1.0
90.73667	0.7
91.05480	6.2
92.02644	0.8
92.05817	1.9
95.04967	37.6
96.04484	14.0
96.05151	1.1
96.05364	0.9
103.05471	0.8
104.04988	97.2
105.03424	1.0
105.04602	7.5
105.05790	25.2
105.06988	8.6
106.02899	1.6
107.30463	0.6
120.04469	1.0
122.06047	0.9
123.06837	3.5
131.08546	0.6
132.04449	100.0
132.08916	1.5
133.05212	9.8
133.06491	2.1
133.07501	0.7
133.10117	2.4
138.55569	0.7
149.58870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.02370	1.1
53.03944	3.2
54.03470	1.0
55.01869	1.2
55.05500	1.4
56.05022	3.6
56.96543	0.9
57.03439	5.1
57.04548	2.5
57.90001	0.9
58.02955	2.0
58.05330	3.7
58.06603	6.1
59.06104	1.0
60.04517	1.3
68.05028	1.7
69.03427	2.1
70.06584	0.9
71.49621	1.7
72.04527	2.0
72.08148	2.7
72.93783	6.5
73.02898	0.7
73.04070	1.1
74.06081	1.2
75.05602	10.2
76.03992	1.7
77.03928	3.3
79.05500	8.2
84.04504	1.4
84.05622	1.0
85.04018	2.1
86.06063	2.8
86.09698	1.9
87.05589	2.8
90.90383	5.7
90.94836	3.0
91.05482	10.2
92.03498	1.3
93.05769	1.8
93.07041	1.1
95.04955	6.7
98.09705	1.5
103.05478	7.5
104.04990	8.1
104.05805	5.7
105.03386	5.3
105.04523	2.5
105.07031	47.3
106.06540	1.8
108.95869	1.8
114.05487	0.8
115.05473	31.0
115.08634	0.9
116.05760	1.3
117.05761	80.2
118.06107	3.5
118.40786	0.8
125.96108	1.3
130.06538	12.9
131.07332	7.2
131.08185	1.1
132.04459	11.1
132.06676	4.5
132.08090	100.0
133.02885	4.9
133.06522	17.0
133.07570	1.9
133.08447	3.6
133.10118	5.0
143.06049	1.5
150.96832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83648	0.8
53.03938	1.4
54.91262	0.8
56.05043	0.9
56.96557	1.9
57.03422	2.3
62.93285	0.8
64.53704	0.7
65.03927	2.2
69.03381	0.9
71.58599	1.1
81.01901	0.9
85.04846	0.9
85.08475	4.1
91.05477	100.0
91.34306	1.1
92.05819	4.4
94.88620	0.8
95.04951	2.7
99.35254	1.0
103.05460	19.4
103.06142	1.4
104.05762	1.4
104.99324	0.8
106.66175	0.9
109.06552	1.1
113.07919	1.8
115.05453	7.5
116.06238	24.1
117.06564	2.1
128.06186	2.4
129.07004	15.5
131.04958	4.5
131.05949	1.9
131.06898	3.0
131.08560	63.7
132.04463	1.5
132.06558	2.8
132.08029	1.8
132.08916	3.3
133.06477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79754	0.4
53.03948	1.3
56.05036	0.4
56.96576	0.3
57.03436	0.7
65.03932	0.8
65.88050	0.3
67.33060	0.3
69.86387	0.3
70.41669	0.3
70.47006	1.2
85.04822	0.5
85.08450	0.7
89.03921	0.3
91.05483	100.0
92.05816	3.7
95.04967	0.7
103.05476	6.8
104.05740	0.3
105.07100	0.3
107.13021	0.3
109.06525	0.4
113.07912	0.3
115.05468	4.4
116.06245	15.7
117.06582	0.9
121.26653	0.3
128.06233	1.4
129.07010	12.1
130.07310	1.0
131.04901	1.0
131.08571	61.9
131.47784	0.3
132.06564	0.5
132.08073	0.7
132.08925	4.2
133.06453	0.3
145.47484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
56.05040	1.4
56.96572	4.3
57.03440	3.3
65.03947	1.5
69.03429	1.1
69.07053	0.9
70.03764	2.3
70.04584	2.9
77.03938	0.9
84.04503	1.0
84.08131	1.8
85.04845	1.2
85.08465	4.4
90.90382	2.4
91.05483	100.0
92.05804	3.5
95.04975	5.9
103.05472	49.6
104.05815	2.3
105.04572	1.2
105.07034	1.0
109.06541	1.1
113.07935	4.3
115.05447	6.5
116.06250	20.5
117.05741	1.1
117.06535	0.8
128.06197	2.3
129.06999	12.6
130.07353	1.0
131.04932	7.3
131.05902	1.5
131.06879	3.3
131.08565	60.0
132.04440	1.0
132.06584	1.9
132.08044	1.2
132.08899	2.8
133.06490	0.9
134.99638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.7
50.87610	0.6
52.93119	0.6
53.03946	1.9
57.03427	2.3
65.03936	1.6
65.79994	0.7
69.03415	1.0
71.52578	0.7
71.58876	0.9
71.59264	0.9
84.04529	0.8
85.04814	0.9
85.08492	2.7
91.05482	100.0
92.05827	4.0
95.04957	1.5
103.05467	14.7
104.05806	1.2
105.07026	1.1
113.07917	1.8
115.05474	9.6
116.06245	24.0
117.06570	1.4
128.06218	1.9
129.07016	16.4
131.04930	2.3
131.06902	2.8
131.08566	59.6
132.06557	1.0
132.08035	1.6
132.08911	3.5
133.06488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40854	0.5
52.28400	0.5
53.03942	1.5
56.96563	0.9
57.03433	1.9
65.03940	1.7
65.30791	0.5
68.05016	0.7
69.03419	0.9
70.03750	0.7
71.59033	1.0
71.59430	0.6
76.98024	0.7
79.05453	0.5
84.04528	0.7
85.04839	0.6
85.08476	2.8
89.40297	0.6
91.05477	100.0
92.05812	3.6
95.04939	1.1
103.05467	14.5
104.05726	0.6
105.07019	0.7
113.07932	1.8
115.05442	6.9
116.06239	23.2
117.06538	1.1
118.84660	0.6
119.06092	0.7
128.06227	2.2
129.06995	13.3
131.04921	2.8
131.06917	1.9
131.08560	58.0
132.04459	1.2
132.06552	1.2
132.08064	1.6
132.08920	3.6
133.06506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.2
51.02377	0.5
53.03698	0.2
53.03945	3.1
55.01876	0.4
55.05502	0.2
56.05030	0.3
56.96557	0.7
57.03419	0.4
57.07070	0.1
57.15203	0.1
58.06588	0.4
59.06118	0.2
60.04508	0.1
68.05023	0.3
69.03420	0.3
69.07057	0.2
69.67380	0.1
70.06590	0.3
71.06905	0.1
71.93001	0.2
72.04521	0.4
72.08142	0.4
72.93780	0.4
74.06081	0.2
77.03920	0.5
81.03416	0.4
83.06093	0.2
84.04510	0.3
84.08135	0.4
85.08465	1.1
86.06063	0.6
86.09673	0.1
87.05588	0.1
88.07626	0.2
90.90367	0.3
90.94842	0.2
91.05480	3.4
92.05801	0.2
93.04363	0.1
95.04967	8.6
96.05347	0.2
98.04787	0.3
102.04687	1.3
103.05465	100.0
104.04998	0.5
104.05791	4.0
105.04514	1.7
113.07177	0.3
113.07923	0.8
114.09214	0.2
115.05447	0.5
116.06241	0.8
125.96114	0.2
127.71147	0.2
129.06989	0.4
131.04930	8.1
131.05937	0.4
131.06938	0.8
131.08516	1.8
132.04442	0.8
132.05302	0.3
132.06477	0.2
132.08080	0.2
144.08136	0.3
148.01068	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
51.02383	0.5
53.03948	3.4
55.01861	0.2
56.05035	0.2
56.96549	0.2
57.03425	0.2
58.06609	0.2
70.03770	0.3
71.32542	0.4
72.08163	0.2
77.03930	0.5
81.03421	0.4
84.08125	0.2
85.08446	0.7
86.06043	0.2
90.46390	0.1
90.90331	0.1
91.05482	6.2
92.05827	0.2
95.04971	9.1
96.05291	0.2
102.04689	1.4
103.05469	100.0
104.05083	0.2
104.05795	4.4
105.03423	0.1
105.04520	1.5
105.07040	0.2
113.07911	0.5
115.05478	0.8
116.06245	2.2
128.06242	0.3
129.07021	0.8
131.04927	8.9
131.06895	0.5
131.08548	3.2
132.04416	0.2
132.05286	0.4
132.06480	0.2
132.08899	0.2
144.08072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37630	0.2
51.02375	0.5
53.03951	3.3
56.96568	0.3
57.03437	0.3
69.84865	0.6
69.85271	0.4
71.12769	0.2
77.03911	1.0
77.84073	0.2
81.03412	0.4
83.43082	0.2
83.91187	0.2
84.04493	0.3
84.08124	0.2
85.04819	0.2
85.08443	0.9
90.90390	0.4
91.05486	5.2
95.04971	8.6
96.05303	0.3
98.21474	0.3
102.04681	1.2
103.05469	100.0
104.05805	4.3
105.04526	1.5
113.07955	0.6
115.05457	0.7
116.06255	2.1
128.06174	0.2
129.06999	0.7
131.04933	8.4
131.05952	0.4
131.06897	0.7
131.08549	3.1
132.05312	0.4
132.08058	0.3
132.08945	0.2
144.08109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.7
53.03704	0.2
53.03950	3.7
54.00706	0.1
55.01876	0.3
56.05040	0.5
56.96562	0.7
57.03434	0.6
57.07076	0.2
58.06599	0.3
58.07407	0.2
59.05016	0.2
59.06102	0.2
60.04553	0.2
68.05035	0.2
69.03429	0.6
70.03771	0.4
70.06613	0.2
70.07454	0.2
71.58380	0.3
72.04525	0.4
72.08149	0.4
72.39513	0.1
72.93784	0.4
73.08500	0.2
77.03919	0.7
80.54057	0.2
81.03432	0.4
84.04515	0.2
84.08141	0.5
85.02899	0.2
85.04848	0.4
85.08461	1.6
86.06070	0.2
86.09681	0.2
90.90379	0.3
90.94798	0.2
91.05478	4.1
91.06005	0.2
95.04971	9.2
96.05342	0.2
98.04811	0.2
102.04672	1.1
103.05469	100.0
104.04998	1.6
104.05810	4.1
105.04521	1.9
108.95867	0.2
113.07215	0.3
113.07915	1.1
115.05476	0.5
116.06259	1.1
120.25446	0.2
125.96138	0.2
129.06996	0.7
131.04935	8.1
131.06927	1.1
131.08533	2.5
131.11790	0.2
131.16277	0.3
132.04451	2.1
132.05312	0.4
132.06523	0.2
132.08069	0.3
139.05885	0.1
144.08138	0.2
147.89604	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
51.02379	0.6
53.03703	0.3
53.03946	4.2
55.01875	0.4
56.96565	0.2
57.03430	0.3
65.18596	0.1
69.26608	0.2
70.84483	0.3
72.08154	0.2
77.03932	0.5
81.03410	0.6
85.04807	0.2
85.08469	0.8
86.06052	0.2
91.05486	6.2
92.05825	0.3
95.04970	10.2
96.05287	0.3
102.04684	1.4
103.05469	100.0
104.05064	0.2
104.05796	3.9
105.03426	0.2
105.04502	1.9
105.07041	0.2
113.07935	0.6
115.05477	0.9
116.06248	2.6
129.06979	0.7
131.04932	8.9
131.06935	0.4
131.08551	3.1
132.04399	0.3
132.05267	0.4
132.08044	0.2
140.94992	0.2
144.08078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.02987	1.3
55.05505	3.5
56.05034	5.0
56.96556	2.4
57.07075	51.4
58.06593	1.4
58.07415	1.1
59.06106	1.7
67.05494	2.5
69.03429	30.7
69.07063	4.1
69.32470	7.9
69.32890	2.1
70.03760	1.8
70.06583	3.3
71.04987	1.8
71.06127	1.1
72.04524	1.4
72.08153	11.5
74.09717	30.8
78.18601	0.9
82.06573	3.8
83.02491	1.4
83.06116	1.0
84.04037	1.7
84.04507	22.2
84.08143	100.0
85.02868	1.1
85.04837	1.1
85.07652	2.7
85.08477	4.7
86.06065	1.4
90.04282	1.1
91.05493	6.6
95.04958	5.4
98.04823	1.0
98.21513	1.6
102.04630	1.2
103.05466	59.7
107.04989	1.0
109.20794	0.8
112.05090	1.9
112.07607	56.8
113.07107	2.7
113.07935	2.7
115.05458	1.4
116.06262	1.2
130.02142	1.1
130.06522	53.4
130.08617	16.6
130.09625	1.8
130.15916	44.7
131.04932	8.3
131.06883	2.3
131.08589	3.9
131.16266	3.4
138.99188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02383	0.6
53.03948	3.5
54.04268	0.2
56.05037	0.5
56.96561	0.6
57.03433	0.4
58.06594	0.4
59.06117	0.2
60.04533	0.2
64.94059	0.1
69.03423	0.3
69.89190	0.1
70.03767	0.4
70.19607	0.4
70.20004	0.3
72.06908	0.1
72.08145	0.2
72.93782	0.4
74.06055	0.2
77.03922	0.6
81.03402	0.5
83.02502	0.2
84.04507	0.2
84.08147	0.5
85.04852	0.3
85.08459	1.2
85.15813	0.2
86.06052	0.3
90.90374	0.2
91.00594	0.1
91.05481	2.3
95.04969	9.3
98.04816	0.2
102.04697	1.0
103.05469	100.0
104.05012	0.6
104.05792	4.0
105.04518	1.5
113.07215	0.3
113.07903	0.8
116.06236	0.4
129.07008	0.3
131.04932	8.2
131.06894	0.8
131.08519	0.9
132.03554	0.2
132.04446	0.5
132.05324	0.4
132.08069	0.2
144.08105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
51.02380	0.4
53.03944	2.0
54.97562	0.2
55.05508	0.3
56.05022	1.4
56.96560	0.6
57.03420	0.9
57.07074	1.4
62.88000	0.3
65.73161	0.3
67.05474	0.2
69.03429	7.3
69.07066	0.7
70.06577	0.9
70.54768	0.9
72.04506	0.5
72.08140	1.1
74.06078	4.3
74.09709	0.4
77.03886	0.5
78.01846	0.3
82.06569	0.8
84.04501	8.4
84.08140	28.2
85.02905	0.5
85.04813	0.4
85.07647	0.9
85.08461	0.7
91.05474	3.1
95.04961	4.3
97.06377	0.3
102.04685	0.8
103.05463	27.6
104.05768	0.5
105.04520	1.0
109.56176	0.2
112.00601	0.2
112.07600	12.5
113.07181	0.5
113.07915	0.4
115.05457	0.5
116.06226	1.1
127.23151	0.3
128.04968	2.4
129.06998	0.5
130.06522	100.0
130.12276	1.8
130.15919	0.6
131.04922	2.0
131.05971	0.5
131.06883	4.1
131.08519	1.8
146.05989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60891	0.1
55.05505	0.5
56.05037	4.3
56.96572	0.3
59.35689	0.2
65.41970	0.2
67.05507	0.4
67.25484	0.2
69.03439	0.8
71.51353	0.4
82.06579	0.5
84.04507	3.3
84.08144	100.0
85.02877	0.2
85.08473	2.8
112.07616	1.9
130.04990	0.3
130.08640	7.5
131.09004	0.2
147.05544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
51.28959	0.1
52.70720	0.1
55.05519	0.4
56.05035	3.4
57.05375	0.1
57.07061	0.1
62.05489	0.1
67.05500	0.3
67.20137	0.1
69.03441	0.1
69.05817	0.1
70.06587	0.4
70.40206	0.2
80.64561	0.1
82.06567	0.2
84.04521	0.4
84.08143	100.0
85.07922	0.2
85.08465	2.7
98.06066	0.1
103.05453	0.1
112.07623	0.4
113.38619	0.1
119.01955	0.1
130.08640	8.3
131.08998	0.4
133.03424	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	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
51.53533	2.3
53.03936	9.9
53.13860	2.8
55.01874	26.3
55.05512	100.0
56.05020	6.9
56.96560	6.0
65.03944	6.6
67.05505	16.5
69.03429	18.8
69.07062	19.2
69.86730	9.7
69.87144	6.1
70.06555	3.5
71.01355	3.3
73.73074	2.7
76.31513	2.6
79.05068	3.7
79.05496	50.2
80.05021	7.9
81.07054	55.0
83.04980	36.6
83.06095	4.1
83.08594	7.8
84.96048	4.4
91.05466	14.4
95.04964	5.3
95.06087	4.1
96.06874	5.7
97.02905	30.6
97.06519	4.5
97.10158	19.2
98.06065	5.2
98.20816	4.5
102.02223	12.4
105.07031	6.1
107.04939	7.4
107.08617	17.0
108.04512	6.3
109.06510	3.9
110.03645	3.2
111.04395	3.4
113.04273	3.5
119.01939	3.5
120.01997	19.3
120.03251	18.6
121.01649	12.4
125.02327	8.6
125.04301	10.1
125.06071	14.2
125.07098	12.6
125.08183	2.6
125.09637	49.0
126.05536	16.8
126.09101	3.5
138.03029	19.6
139.02718	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99862	0.3
60.00657	0.2
69.66861	0.8
73.24075	0.1
77.00900	0.2
82.99809	0.8
83.01534	0.1
83.03463	0.1
98.20746	0.2
100.02480	0.8
101.00874	10.0
101.02540	1.0
101.15355	0.1
102.00950	0.7
102.02238	0.5
105.64934	0.1
118.03526	0.6
119.01918	100.0
120.01997	5.1
120.03287	0.4
121.02354	0.3
124.02451	0.3
133.03479	0.2
137.02953	52.8
138.03020	2.7
139.03375	0.2
142.03496	5.1
143.03679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
56.05029	0.1
56.96566	1.6
57.03418	0.1
58.06585	0.4
58.99856	0.9
59.07388	0.2
60.00646	0.2
60.95847	0.1
67.05508	0.2
68.05026	0.2
70.99863	0.6
71.57421	0.2
75.07802	0.1
77.00901	2.0
78.00966	0.1
78.03440	0.2
78.04704	0.4
78.06315	0.2
79.05490	0.5
80.05009	2.1
81.04532	0.3
81.05334	0.3
81.05801	0.4
81.07043	0.2
82.99854	0.5
83.01501	0.2
89.00892	0.4
94.06590	0.2
95.01952	1.0
95.06091	0.2
96.04482	2.0
96.05254	0.2
96.08144	0.4
100.02471	1.2
101.00868	8.2
101.02538	1.7
102.00961	0.4
102.02246	0.9
107.06027	0.1
109.05244	0.2
110.04795	0.2
112.03931	0.3
116.98612	0.1
117.10272	0.3
118.03528	1.3
119.01913	100.0
120.02017	5.3
120.03267	1.0
121.01572	0.2
121.02380	0.3
124.02467	0.3
124.03950	7.0
124.04756	0.4
124.05882	0.5
124.07577	1.6
124.08700	0.7
125.02326	0.1
125.04256	0.2
125.07093	0.3
133.03438	0.5
137.02946	66.9
138.03036	3.8
139.03371	0.4
140.03459	0.2
142.03487	6.2
143.03627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
54.04266	0.3
55.05495	0.1
56.05025	0.5
56.96568	2.4
58.06607	0.3
58.99871	0.6
59.07367	0.2
65.65840	0.2
67.05511	0.2
68.05029	0.5
68.05848	0.4
69.03437	0.3
71.57231	0.2
71.95267	0.2
77.00877	0.6
78.03448	0.2
78.04282	0.3
78.04704	1.9
78.06317	0.3
78.32715	0.1
79.05495	0.4
80.05019	1.8
81.04537	0.4
82.92885	0.6
82.94843	0.2
82.99849	0.7
83.06107	1.2
84.96004	0.2
95.01962	0.3
95.04961	0.3
95.06100	0.2
96.04488	1.8
96.05288	0.6
96.08115	0.3
97.02898	0.6
97.07655	0.4
98.03541	0.2
98.97584	0.4
100.01883	0.2
100.02490	0.9
101.00873	8.7
101.02613	0.4
102.00968	0.5
102.02266	0.3
106.03729	0.2
106.06573	0.3
107.04947	0.2
107.06094	0.8
108.04352	0.3
112.03917	0.3
116.98631	0.2
117.10269	0.2
118.03525	0.8
119.01919	100.0
120.01998	6.0
120.03233	0.3
121.02338	0.3
123.04405	0.5
124.02533	0.3
124.03946	5.1
124.04800	1.9
124.05937	0.3
124.07620	0.8
124.08714	1.7
125.07107	0.7
133.03462	0.4
137.02953	61.7
138.03044	4.5
139.03375	0.5
140.03445	0.4
142.03488	5.5
143.03665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.5
51.02383	1.3
53.03946	7.2
54.03468	2.5
55.01875	1.8
55.05505	5.7
56.05035	3.7
57.07073	5.0
58.59893	0.5
60.44920	0.5
62.62018	0.5
65.03940	2.7
67.05505	24.5
68.05044	2.8
68.05816	0.7
68.43103	0.5
69.03403	0.5
69.04568	0.6
69.07071	3.3
70.06590	1.4
71.55843	0.4
71.59163	0.4
77.03938	2.3
78.03474	0.9
79.05493	20.1
80.05016	21.0
80.05815	1.2
80.06288	0.7
81.03431	0.9
81.04553	3.7
81.07056	100.0
82.01431	0.8
82.05311	0.9
82.06585	0.6
82.07385	2.3
83.06110	4.0
91.05481	0.8
93.07047	4.2
94.07853	0.8
95.04970	39.7
95.06068	1.4
95.08610	17.3
96.04498	10.1
96.05260	0.8
96.08141	1.0
97.07655	3.7
100.02483	10.3
101.00858	0.5
101.02589	0.9
104.05802	0.5
105.03408	1.4
105.04531	2.2
105.07032	1.3
106.07356	1.5
107.04966	0.6
107.06088	3.8
108.05727	1.5
108.07681	2.1
109.02891	1.3
112.03972	4.6
118.03522	13.8
119.01922	7.4
119.03642	1.4
120.83157	0.5
121.10152	1.5
123.04430	19.7
123.05548	26.4
123.06629	1.0
123.07314	0.8
123.08154	10.5
123.09169	1.5
123.10010	2.0
123.11704	16.1
124.03956	16.0
124.04820	1.0
124.05881	1.0
124.07577	0.9
124.08730	9.1
124.12018	0.5
132.77269	0.5
137.02963	6.4
140.03433	2.1
141.05055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01590	1.7
51.02378	6.1
53.03944	7.6
53.58579	0.6
54.03458	1.0
55.01862	1.7
55.05495	1.9
56.05022	1.1
57.07067	1.6
65.03925	1.4
66.23181	0.6
67.05500	15.4
68.05016	1.5
69.07071	0.8
69.30617	6.6
77.03925	13.2
78.04703	1.6
79.05492	6.9
80.05025	5.5
81.03420	0.9
81.04529	1.2
81.07051	26.6
82.07362	0.6
83.06098	1.1
93.07014	1.2
95.04964	30.3
95.05966	0.9
95.08603	6.3
96.04495	3.2
97.07661	0.6
100.02470	2.3
104.05811	0.5
105.03391	15.6
105.04489	4.5
105.07027	1.0
107.04967	0.7
107.06071	1.1
108.05733	2.4
108.07644	2.6
109.33588	0.5
118.03526	2.7
119.01916	3.0
121.06526	0.6
123.04425	100.0
123.05479	6.3
123.08103	5.0
123.09039	0.9
123.10009	2.1
123.11700	5.6
124.03931	2.8
124.04785	2.8
124.07643	0.9
124.08701	2.0
137.02972	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02377	3.5
52.16297	0.6
53.00303	0.6
53.03948	6.1
54.03452	0.9
55.01871	1.2
55.05509	5.7
56.05033	1.3
57.07075	6.2
65.03934	1.8
67.04247	0.7
67.05503	20.5
68.05022	1.0
69.07062	2.8
69.28306	1.0
69.28709	5.5
70.06583	0.6
77.03931	6.2
78.04729	1.0
79.05492	19.9
80.05016	6.6
81.03419	0.9
81.04544	1.5
81.07055	100.0
82.07391	2.2
83.06117	1.7
93.07027	3.0
94.07843	0.8
95.04971	19.5
95.05567	1.2
95.06077	0.8
95.08604	15.8
96.04491	3.1
96.05261	0.7
97.07649	1.3
98.21476	0.9
100.02476	2.4
105.03375	6.1
105.04536	1.7
105.07001	0.7
106.03717	0.5
106.07388	1.0
107.06065	2.6
108.05733	1.4
108.07665	1.6
108.09373	0.8
112.03929	0.8
118.03522	1.9
119.01934	3.5
119.20461	0.5
121.10115	1.4
123.04423	42.3
123.05521	8.0
123.07310	0.8
123.08197	3.3
123.08911	0.8
123.10094	0.7
123.11699	20.3
124.03946	3.2
124.04775	1.4
124.08720	3.3
124.12012	0.8
126.14230	0.6
134.07474	0.6
137.02945	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	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.2
51.02382	6.3
53.03944	11.4
54.03462	2.0
55.01867	3.2
55.05511	4.0
56.05038	3.2
57.07069	3.0
65.03952	3.2
67.05503	25.9
68.05029	4.2
68.05814	0.8
69.04539	1.1
69.07054	1.8
69.54269	5.4
70.06596	1.1
71.34557	0.6
77.03932	13.8
78.03463	0.9
78.04710	1.9
79.05492	17.2
80.05019	15.7
80.05792	0.9
81.03434	1.1
81.04535	4.5
81.07056	68.5
82.04852	0.7
82.05308	1.1
82.06577	1.0
82.07389	1.4
83.05665	1.2
83.06102	4.9
91.05547	0.7
93.07039	2.5
94.07847	0.9
95.04967	58.0
95.06056	2.1
95.08604	13.8
95.33174	0.7
96.04493	8.3
96.05168	0.9
96.08133	1.3
96.45071	0.6
97.07655	3.0
100.02483	6.8
103.62966	0.7
105.03390	15.1
105.04473	4.0
105.07053	1.3
106.02941	0.9
106.03672	0.9
106.06577	0.7
106.07369	3.1
107.04971	0.8
107.06071	3.4
107.07315	0.8
107.74526	0.8
108.05727	1.9
108.07668	4.0
112.03972	2.2
118.03529	6.1
119.01918	9.0
121.10180	0.7
123.04436	100.0
123.05535	21.7
123.08200	6.3
123.09168	2.7
123.09925	4.1
123.11697	13.0
124.03958	10.3
124.04804	2.0
124.07809	0.9
124.08719	8.2
127.83006	0.6
137.02988	6.0
140.03429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01601	0.8
51.02375	6.5
53.03943	11.7
54.03452	2.6
55.01870	3.2
55.05507	2.0
56.05024	3.0
56.96552	0.6
57.07073	0.8
65.03936	2.6
67.05499	16.9
68.05019	4.0
68.05837	0.6
69.04542	0.9
70.03708	2.5
70.06577	0.9
77.03925	13.6
78.03452	0.6
78.04702	1.7
79.05489	9.8
80.05013	16.1
81.03416	1.8
81.04544	4.7
81.05801	4.9
81.07049	18.3
82.02922	0.8
82.04856	1.0
82.05313	0.8
82.06560	0.8
83.05669	1.0
83.06093	5.4
89.99442	0.5
93.07051	1.2
94.06583	1.5
95.04961	51.6
95.06053	2.0
95.08603	4.5
96.04499	9.4
96.06372	0.6
96.08118	5.7
97.07648	3.1
98.21523	0.7
100.02473	3.9
101.00816	0.6
101.13362	0.5
102.77208	0.6
104.66766	0.5
105.03386	16.5
105.04477	4.8
105.07042	0.7
106.02980	0.6
106.06564	2.0
106.07355	1.5
107.06065	4.6
108.05743	1.6
108.07680	2.1
112.03967	1.8
118.03500	4.6
119.01909	9.1
119.03611	0.6
123.04430	100.0
123.05527	20.0
123.08208	4.6
123.09173	1.4
123.10001	2.2
123.11692	2.1
124.03943	7.4
124.04802	2.5
124.07592	6.3
124.08705	7.0
137.02940	7.6
140.03448	0.7
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	Tropolone
Peak:m/z	Relative Intensity
50.01593	1.2
51.02375	3.5
53.03946	5.4
55.01873	1.7
56.96566	5.8
57.03429	0.4
58.06602	0.3
58.99858	0.6
60.00627	0.3
60.66081	0.2
62.99053	0.3
65.03930	1.4
67.05501	8.3
67.24892	0.3
68.05027	0.8
69.04541	2.0
70.06586	0.3
71.58187	0.4
71.95269	0.5
77.00849	0.9
77.03477	0.5
77.03926	9.9
78.03452	1.0
78.04282	0.4
78.04710	1.0
79.05489	1.3
80.05016	9.5
80.99380	0.2
81.03400	1.0
81.04531	0.4
81.07053	1.3
82.01464	0.8
82.04054	0.2
82.06564	0.4
82.92876	0.4
82.99828	0.5
83.06100	0.4
86.01321	0.4
89.00829	0.4
92.01239	0.4
93.06989	0.4
94.06568	0.4
95.01897	0.4
95.04965	31.7
95.08629	0.4
96.04499	4.0
96.05630	4.1
98.34599	0.3
98.97567	2.3
100.01959	0.2
100.02477	8.9
101.00867	9.6
101.02586	0.5
103.05450	0.3
105.03378	11.6
105.04437	2.7
105.06117	0.3
106.02924	1.4
106.03592	0.4
106.06528	0.3
107.06103	0.6
108.04349	0.9
109.17539	0.3
116.98614	1.8
118.01165	0.6
118.03519	10.5
119.01916	100.0
120.63816	0.2
123.04427	67.8
123.05522	11.9
123.06678	3.1
123.09181	0.7
124.03955	9.5
124.04790	1.7
124.05868	0.3
124.07590	1.1
124.08606	1.3
134.99649	1.1
136.04543	1.4
137.02951	62.7
139.03371	0.3
141.05057	0.5
142.03493	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	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98451	0.7
69.98852	0.8
77.00901	0.3
79.71038	0.3
81.03393	0.3
81.07053	0.3
82.01449	3.5
82.99835	0.6
84.69662	0.3
89.01734	0.5
89.04575	0.3
89.51610	0.4
95.04970	0.9
100.02477	29.4
101.00871	9.7
101.02565	2.2
118.03517	25.5
118.04402	0.5
119.01915	100.0
121.02334	0.6
123.04057	0.6
123.05523	0.9
126.99121	0.8
136.04546	1.4
137.02950	60.6
138.00084	0.7
138.49890	1.2
139.03389	0.4
141.05081	0.8
142.03499	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	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98451	0.7
69.98852	0.8
77.00901	0.3
79.71038	0.3
81.03393	0.3
81.07053	0.3
82.01449	3.5
82.99835	0.6
84.69662	0.3
89.01734	0.5
89.04575	0.3
89.51610	0.4
95.04970	0.9
100.02477	29.4
101.00871	9.7
101.02565	2.2
118.03517	25.5
118.04402	0.5
119.01915	100.0
121.02334	0.6
123.04057	0.6
123.05523	0.9
126.99121	0.8
136.04546	1.4
137.02950	60.6
138.00084	0.7
138.49890	1.2
139.03389	0.4
141.05081	0.8
142.03499	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02386	1.2
53.03945	11.8
55.01857	1.5
55.05508	10.3
65.03929	8.6
66.11799	1.0
67.05502	47.9
71.59200	1.3
71.88699	1.1
75.64641	1.4
77.03954	1.1
79.05489	100.0
80.05035	1.2
80.05826	1.6
81.04567	1.1
83.13029	1.0
91.05473	27.4
92.05803	1.0
93.07040	81.3
94.06563	3.2
94.07377	3.4
95.04966	22.0
103.05462	13.8
105.04509	3.9
105.07027	41.9
105.91882	1.1
106.06557	1.8
106.07839	2.4
107.07330	32.1
112.03971	2.3
119.08562	4.8
121.02868	4.7
121.03972	2.5
121.06540	7.0
121.07487	1.1
121.10138	33.9
122.06038	3.5
122.07140	7.2
122.09669	31.4
122.10475	1.8
123.08075	4.7
133.07602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02376	2.0
53.03947	13.3
54.03469	9.9
55.01874	2.2
55.05514	4.6
56.96557	1.2
58.02957	1.3
58.99578	0.8
65.03942	9.6
67.05500	4.7
68.05019	1.4
70.06591	1.8
77.03920	2.3
78.04733	1.6
79.05494	59.7
80.05011	1.8
80.05820	1.5
81.03436	1.4
81.04541	16.3
81.07047	2.7
82.05323	12.7
91.05481	47.7
92.05788	1.1
93.07044	57.2
94.04166	0.8
94.06556	3.3
94.07375	2.3
95.04972	33.6
95.06065	7.0
96.05296	1.0
103.05470	30.9
104.05064	0.7
104.05775	1.7
105.03407	0.9
105.04528	8.2
105.07031	100.0
106.06581	1.9
106.07903	5.7
107.04840	1.8
107.07343	24.7
111.04424	1.4
112.03966	0.9
113.28710	0.9
119.08576	13.5
121.02864	5.3
121.03966	1.9
121.06528	13.0
121.07584	1.6
121.10146	38.0
122.06123	2.6
122.07152	57.2
122.09664	20.8
122.10448	1.4
123.08086	10.2
133.07626	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01591	0.8
51.02381	1.1
53.03948	7.1
54.03474	3.0
54.72556	0.3
55.01867	0.8
55.05510	2.8
55.87752	0.3
57.10190	0.3
57.35122	0.3
65.03937	5.8
66.04290	0.3
67.02978	0.4
67.05509	1.4
68.05033	0.9
70.06592	0.8
77.03931	1.7
78.04731	0.7
79.05494	48.3
80.05026	0.7
80.05835	1.8
80.06245	0.4
81.03429	0.9
81.04541	5.3
81.05791	0.4
81.07055	1.7
82.05330	4.5
91.05481	24.8
92.05799	0.8
92.31895	0.3
93.03423	0.6
93.07045	28.4
94.06577	1.1
94.07369	1.2
95.04970	20.7
95.05988	2.3
96.05292	0.5
98.20774	0.7
98.72884	0.3
103.05472	24.8
104.05775	1.0
105.04564	4.1
105.07030	100.0
106.06535	1.7
106.07271	1.9
106.07921	6.1
107.07336	26.3
111.04449	1.3
112.03972	0.4
117.07078	0.4
117.63801	0.3
119.08585	12.6
120.05674	0.4
120.08112	0.7
120.08928	0.8
121.02870	4.0
121.03986	1.1
121.04903	0.3
121.06516	4.8
121.10144	34.0
122.06167	0.7
122.07156	16.9
122.09669	19.1
122.10458	1.4
123.08073	11.8
124.08424	0.4
133.07622	4.2
138.06725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03941	8.9
54.03469	1.8
55.05516	10.7
65.03950	13.6
67.05503	44.3
68.99783	1.3
71.04758	1.1
71.59138	2.3
73.03244	1.2
77.03925	2.8
79.05492	100.0
81.04530	2.0
82.05311	2.2
91.05483	25.9
93.03416	1.6
93.07042	83.2
94.06565	1.6
94.07368	2.9
95.04966	24.5
95.06081	1.5
103.05468	16.2
103.49667	1.3
105.04531	3.2
105.07028	37.7
106.06552	3.4
106.07852	2.4
107.07333	41.6
107.08044	2.5
119.08578	2.8
121.02867	5.9
121.04000	3.1
121.06533	8.5
121.10148	31.8
122.06040	5.7
122.07159	8.7
122.09669	38.4
123.08099	3.9
125.57937	1.2
133.07655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02373	1.2
53.03949	8.1
54.03468	1.3
55.01864	0.8
55.05508	2.0
56.96556	1.0
58.02966	0.5
65.03937	5.4
65.79768	0.5
66.59232	0.5
67.05492	1.7
70.91235	1.5
75.45679	0.5
77.03935	1.5
78.04651	0.9
79.05493	43.7
80.05040	1.1
80.05817	1.0
81.03416	0.9
81.04547	3.2
81.07071	1.0
82.05328	2.0
91.05482	18.3
92.05798	0.5
93.07047	17.2
93.07635	1.1
94.06554	1.4
94.07375	0.9
95.04970	19.4
103.05468	24.3
104.05759	0.7
105.04546	4.0
105.07030	100.0
106.06550	1.5
106.07256	1.4
106.07912	5.7
107.07336	18.5
111.04428	0.7
119.08579	13.3
120.08918	1.0
121.02873	3.1
121.03999	1.4
121.06513	13.6
121.10143	35.6
122.06015	1.6
122.07143	9.2
122.09669	15.5
122.10467	1.6
123.08072	11.8
129.73579	0.5
133.07607	4.8
138.06749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	2.9
53.03944	14.7
54.03463	4.3
55.01876	1.3
55.05508	17.0
56.89235	1.2
56.96557	2.2
65.03941	13.5
67.05504	18.2
69.33286	12.7
77.03925	2.6
79.05492	100.0
80.05004	1.9
80.05817	3.9
80.06272	2.3
81.04543	6.3
81.07056	3.3
82.05316	5.1
91.05482	43.4
91.65308	1.1
93.07043	90.5
94.06565	1.6
94.07375	3.7
95.04965	39.7
98.20767	2.1
100.68271	1.2
103.05465	23.8
104.04989	1.2
104.05708	1.4
105.03395	1.6
105.04509	7.8
105.07027	78.6
106.06607	2.2
106.07804	3.8
107.07333	55.0
111.04452	2.1
112.03971	1.8
112.70407	1.3
119.08568	8.0
120.08088	1.7
121.02859	9.0
121.03998	2.8
121.06503	11.4
121.10129	30.1
122.06045	5.2
122.07143	29.2
122.09665	43.9
122.10464	2.1
123.08105	6.9
131.26373	1.4
133.07635	2.3
139.29065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.0
51.02376	2.7
53.03946	21.6
54.04252	0.3
55.01871	3.4
56.96562	1.3
57.03467	0.3
63.02381	0.4
65.03936	1.7
70.29743	1.2
77.03922	4.9
78.04712	0.9
79.05481	0.6
81.03417	2.5
87.11903	0.3
91.05478	73.1
92.05792	2.1
93.07041	50.8
94.06579	0.3
94.07375	1.6
95.04965	61.2
96.05296	1.3
97.28139	0.3
98.97560	0.6
102.04671	2.6
103.05463	100.0
104.05796	2.9
105.04509	10.8
111.04430	0.4
116.98557	0.4
118.06503	0.5
119.04974	0.4
120.92384	0.3
121.06500	66.2
122.06032	0.6
122.06860	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01595	1.3
51.02373	3.4
51.18618	0.2
53.03943	20.8
54.04279	0.5
55.01870	3.5
56.96555	0.8
57.00726	0.2
65.03937	3.0
68.99770	0.3
70.13422	0.8
70.34223	0.3
77.03922	6.4
77.36227	0.3
78.04700	1.3
79.05492	1.2
81.03410	3.2
84.57543	0.2
85.55455	0.2
91.05475	77.5
92.05825	1.5
93.07037	49.5
94.04131	1.6
94.07381	1.1
95.04961	65.0
96.05270	1.3
98.20850	0.3
102.04681	3.1
103.05459	100.0
104.05787	2.4
105.04507	12.3
105.05220	0.5
111.04405	0.4
118.06493	0.5
119.04901	0.3
121.05086	3.1
121.06493	65.9
122.06844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02378	4.0
53.03715	1.8
53.03950	31.0
55.01865	5.0
55.05496	5.8
56.96561	1.7
65.03942	19.6
67.05515	13.3
70.75662	6.5
77.03934	5.5
78.04695	2.5
79.05060	3.0
79.05492	39.0
80.05044	1.9
81.03419	4.4
81.04576	1.8
91.05482	100.0
92.05792	3.2
93.07045	80.1
94.07416	2.0
95.04362	3.9
95.04970	69.0
103.05472	69.0
104.05795	3.0
105.04505	13.5
105.07039	23.3
106.06528	1.8
107.07336	27.3
118.06528	1.6
119.08551	2.6
121.02898	8.2
121.04058	3.4
121.05656	3.1
121.06515	61.6
121.10150	11.4
122.06093	1.8
122.07199	9.8
122.09672	24.9
123.08109	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	120.0445
Annotation	Anthranil
Peak:m/z	Relative Intensity
53.03942	3.4
62.65155	1.1
63.94196	1.0
65.03941	41.0
66.04265	1.4
67.05499	3.8
71.58857	1.4
71.59224	1.2
78.93124	1.1
79.05497	8.8
80.94183	0.9
91.04234	2.0
91.05483	13.5
91.52253	1.0
92.04564	4.4
92.05018	46.7
92.05808	5.6
93.03410	3.8
93.07037	8.8
95.04424	0.9
95.04977	6.4
99.94992	1.1
102.09175	1.4
103.05478	2.6
105.03407	2.9
105.04520	1.0
105.07044	3.1
110.06075	2.4
111.04434	19.7
115.23031	1.0
115.75208	1.0
120.04474	100.0
120.05523	5.0
120.08134	2.3
120.08939	2.5
121.02921	1.9
121.04031	1.3
121.04792	2.3
121.06484	5.8
121.10143	2.7
129.63623	1.1
132.13071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03949	6.1
55.01853	0.5
55.05496	0.5
55.41493	0.5
56.05027	0.5
56.96559	0.6
60.04528	0.7
65.03941	5.9
66.03465	0.8
66.04264	0.5
69.79491	2.8
72.04495	0.6
74.10721	0.4
75.74162	0.5
77.03932	1.1
78.93112	1.5
79.02980	0.9
79.05483	3.3
80.05019	1.4
80.26408	0.4
81.03429	1.2
81.04555	0.6
91.05478	19.7
92.04997	4.5
92.05812	5.4
93.04529	1.7
93.05788	0.7
93.07038	20.7
94.06563	1.2
95.04963	13.6
96.20984	0.5
98.21484	0.8
102.04675	1.2
103.05463	100.0
104.05791	2.6
105.04515	2.1
105.07032	2.2
106.06590	0.5
110.06106	0.5
111.04452	0.8
111.23336	0.4
118.06543	2.2
119.07319	1.8
119.08599	0.7
120.04467	2.9
120.05582	7.6
120.08099	87.1
121.02861	2.0
121.03986	1.4
121.06499	6.3
121.07639	1.2
121.08385	2.7
121.10166	1.4
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
50.91374	3.0
54.09641	3.1
55.05503	6.7
56.96558	10.3
58.75658	3.2
59.06122	23.9
60.04523	11.3
62.06075	3.5
63.33671	3.1
65.03934	7.6
67.05494	20.9
67.80933	3.0
69.03436	3.6
70.41962	7.1
78.93126	4.1
79.03032	3.6
79.05498	7.1
79.24532	2.9
80.02956	5.2
80.06256	9.4
81.07064	3.9
89.51540	2.7
91.05481	92.2
92.05023	4.4
93.03740	5.0
93.07059	9.6
95.04967	4.1
100.02476	12.1
101.00890	7.3
101.07132	3.6
103.02430	22.2
107.05257	12.8
107.55398	3.8
109.06582	4.5
111.04483	3.3
116.05785	11.0
118.03522	8.7
119.01924	100.0
119.04920	7.2
119.06068	5.7
119.08624	6.3
120.03288	3.4
120.05607	3.1
121.03451	23.4
123.03230	3.8
128.02045	3.0
129.03972	6.1
137.02954	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01587	1.3
50.71764	1.0
51.02394	6.2
52.90059	1.2
53.03948	48.6
53.73228	1.1
54.04281	1.2
55.01867	3.5
56.22330	1.1
56.81391	1.2
66.97486	1.2
69.51890	9.4
71.43134	1.2
74.19979	1.1
74.52928	1.1
76.93387	5.5
77.03929	10.2
78.09429	1.0
81.03414	4.2
91.05480	15.8
94.94402	1.6
95.04973	100.0
96.05293	1.8
104.50433	1.1
105.04515	19.7
116.05827	3.8
118.05695	2.5
118.06552	50.6
118.07317	2.9
119.06888	2.3
119.08599	3.1
135.24242	1.3
139.29417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.44883	1.0
53.03938	3.5
56.05022	3.6
58.02956	3.3
58.06593	4.1
59.06113	5.7
59.93095	4.9
60.04513	4.7
60.05819	1.7
60.06451	1.4
62.06071	1.2
65.03933	4.6
70.06572	1.4
70.76109	1.6
70.76479	3.1
72.04498	4.8
72.08153	1.7
76.93367	30.2
91.05480	93.8
92.05801	1.6
94.94398	11.6
95.04967	10.4
112.95422	2.3
117.05754	6.6
117.95988	2.4
118.06541	100.0
119.04940	1.6
119.06083	3.0
119.06880	3.1
119.08566	3.9
135.97052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02380	0.8
52.35286	0.4
53.03951	4.6
57.03434	0.5
57.46849	0.4
59.82949	0.4
59.93109	0.5
65.03934	0.9
69.19859	0.4
71.06920	1.8
71.38483	0.6
72.04509	0.6
75.93612	0.4
76.25005	0.5
76.93377	2.5
77.03919	0.7
81.03407	0.5
89.03884	0.5
90.37713	0.4
91.05482	47.6
92.05820	0.9
94.94397	1.3
95.04972	9.8
105.04510	1.5
115.05456	91.8
116.05759	1.8
116.06288	1.6
117.07017	100.0
118.06543	5.6
118.07362	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.03936	0.1
55.01619	0.2
55.01871	2.8
55.05518	0.8
56.05030	0.9
56.96562	0.3
57.03427	0.3
58.06599	0.1
59.06137	0.3
68.05021	0.6
69.35191	0.7
69.35616	0.5
70.06593	100.0
71.04992	0.5
71.06921	1.3
74.02437	0.2
76.07619	0.2
98.06055	1.5
98.20709	0.2
109.29251	0.1
116.07095	6.5
117.07429	0.2
117.10270	0.2
117.42649	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
53.03946	1.2
55.01871	50.9
55.05510	15.9
56.02210	0.7
56.05033	4.9
56.96567	4.6
57.03436	7.9
57.93567	0.9
58.06602	0.7
59.05015	0.6
59.06128	1.8
62.94241	0.4
66.80132	0.4
68.05023	1.5
68.10020	0.5
69.03431	1.2
69.71336	2.3
69.72073	0.5
70.06591	100.0
71.04992	10.6
71.05363	0.8
71.06924	1.8
71.95237	0.6
72.04518	1.3
72.08140	0.5
74.93832	5.5
80.05022	1.6
81.03413	1.3
82.01469	0.5
82.17412	0.5
88.07609	0.6
92.01304	0.7
92.94868	1.3
94.05482	0.5
95.42524	0.4
98.06052	45.3
98.97586	2.6
98.98126	0.4
99.04436	0.6
99.06389	0.6
116.07089	58.2
116.10747	0.7
116.98617	2.9
117.07433	1.6
117.10263	1.6
121.01690	0.5
134.99623	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03418	5.3
83.04967	1.3
85.02891	1.4
89.03908	6.1
91.05470	2.4
93.03388	1.6
95.04958	4.2
97.02870	0.6
99.04438	0.9
103.05465	2.1
105.03380	2.2
107.04951	8.2
107.05622	0.8
109.02872	4.3
111.00797	10.9
111.04433	15.5
115.05427	2.5
117.03355	3.3
117.06995	1.2
119.04947	3.0
121.02827	3.0
123.04420	85.0
124.04749	1.6
127.03908	90.3
128.04242	0.8
128.06215	0.5
129.07027	1.1
129.28804	0.5
131.04926	4.7
133.06482	0.9
135.04408	86.3
136.04709	0.7
137.02325	5.6
137.05946	1.9
139.03894	57.0
140.04277	0.6
141.06995	2.0
143.04919	2.2
145.02812	1.7
145.06467	2.4
147.02574	0.6
147.04398	9.9
149.02344	10.6
149.05939	3.1
150.03076	0.7
151.03896	20.2
151.05127	1.0
153.01817	1.4
153.05455	1.0
153.06970	1.2
155.03720	0.6
155.04895	2.9
157.06482	1.4
159.04399	5.6
161.02319	1.3
161.05952	5.1
163.03897	77.7
164.04362	1.2
165.01845	1.3
165.05478	5.9
167.03410	5.9
167.04758	0.8
169.04964	2.4
169.06462	2.7
171.04402	1.2
173.05960	7.1
175.03905	4.8
175.07556	1.0
176.04720	1.0
177.05470	9.2
179.03389	13.0
180.04138	0.7
181.04936	2.1
181.06522	1.6
183.04359	3.1
185.05965	2.5
187.03874	10.0
187.07513	1.0
189.01701	0.6
189.05463	4.5
191.03383	15.5
191.07036	1.0
193.04947	2.9
197.05959	6.0
199.03911	1.3
199.07521	0.5
201.05467	13.4
202.06230	0.6
203.03380	19.2
203.07010	3.1
205.04955	4.0
207.02827	1.4
207.06451	1.7
209.05983	1.1
211.03908	1.2
211.07475	0.6
212.04671	0.6
213.05431	4.7
215.03416	5.0
215.06905	3.3
216.04247	0.8
217.04906	4.3
219.02798	0.5
219.06493	1.9
221.04242	0.6
223.02348	2.9
225.05435	3.6
226.06285	0.5
227.03423	1.2
227.07018	1.2
228.04143	0.7
229.04958	18.7
230.05446	1.1
231.02898	1.4
231.06493	3.9
233.04440	5.7
235.02216	0.6
237.05418	2.1
239.07022	1.2
241.04915	4.3
243.03004	1.1
243.06508	7.3
244.03680	0.7
245.04443	100.0
246.04771	2.1
247.06006	73.4
248.06430	1.4
249.05580	0.7
251.05473	1.4
253.04947	4.9
255.06458	4.7
257.04449	20.9
258.05176	3.3
259.06003	12.4
260.06458	0.6
261.07565	4.5
263.05362	3.4
265.04877	1.9
267.06528	1.4
269.04404	7.7
270.05194	1.1
271.05984	39.6
272.06314	1.3
273.03912	1.7
273.07544	3.2
274.04706	5.7
275.05472	27.9
276.05618	0.6
277.04837	1.1
279.06573	1.3
281.04419	3.1
282.05164	0.8
283.05991	11.8
284.06290	0.8
285.03946	4.0
285.07507	1.7
286.04520	0.9
287.05463	38.0
288.05832	0.8
289.07053	48.7
290.07324	1.1
291.08646	21.4
293.04501	1.4
293.08038	0.8
295.05969	3.9
297.03928	5.0
297.07568	1.7
299.05447	7.7
301.07028	14.5
303.05197	1.6
303.08679	2.2
305.04681	0.7
305.07904	0.6
307.06049	1.6
309.03864	2.0
309.07645	1.2
311.05481	3.2
313.06958	3.9
315.05322	0.6
316.07227	0.7
317.08051	1.3
319.06094	1.3
321.03894	0.6
321.07523	1.7
323.05508	4.3
325.07190	0.6
327.05170	1.0
329.06421	1.6
331.08368	2.8
333.07370	0.9
335.05429	1.2
337.07068	1.6
339.04782	1.1
339.08597	1.2
341.06625	0.8
343.05911	0.7
345.07547	1.4
347.05521	1.3
349.07050	1.2
351.04922	1.9
353.06509	0.8
361.06940	3.9
363.04672	0.9
363.08548	2.7
365.06586	3.0
367.08054	1.3
373.07089	2.2
375.04623	0.8
375.08868	0.7
377.06671	2.3
379.08133	7.8
381.05759	0.8
381.09940	0.9
383.07571	3.3
385.06766	0.6
389.06558	4.7
390.07037	0.6
391.08133	5.9
393.05945	4.5
395.07538	4.1
396.08569	1.3
397.09167	11.7
401.06662	1.8
403.08130	1.6
405.05463	2.8
407.07596	36.3
408.07910	0.7
409.09161	37.9
410.09525	0.9
411.10776	4.7
413.06924	0.8
415.07748	1.3
417.05496	0.8
419.07654	8.1
421.09329	3.8
423.10895	1.2
425.08646	21.9
426.08856	0.7
427.10226	20.4
428.10590	0.7
431.07758	1.7
433.09317	4.6
435.11301	1.0
437.08652	15.1
439.10141	2.7
449.08698	5.4
451.10330	7.4
453.11911	2.4
467.09296	0.6
485.11334	0.5
511.06061	0.7
517.11365	4.8
527.09930	2.3
529.11285	1.0
531.12585	1.7
535.12427	5.6
541.11432	4.2
543.09082	1.3
545.10809	3.4
553.11365	0.7
555.08740	0.9
557.10480	1.6
559.12488	5.1
561.13782	0.9
569.11102	0.7
571.12018	1.9
575.11731	0.9
577.13361	8.7
579.14935	14.2
587.11700	0.7
589.13019	1.2
635.10449	0.6
663.11267	0.7
677.12469	0.7
679.14563	1.6
695.13373	1.5
697.15363	5.2
699.16968	0.8
707.14215	0.6
715.16675	3.1
774.26947	0.5
833.15979	1.1
917.22003	0.5
985.20593	1.4
1020.35071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03422	4.1
81.07058	0.6
83.04971	1.3
85.02901	1.0
89.03919	5.7
91.05483	1.7
93.03410	1.8
95.01326	0.5
95.04974	3.9
99.04461	1.1
103.05452	2.5
103.51215	0.5
105.03381	1.9
107.04951	8.2
109.02882	3.8
111.00809	10.8
111.04445	13.3
115.05445	1.8
117.03374	3.4
117.07012	0.8
119.04946	2.3
121.02852	2.9
123.04429	80.6
127.03916	86.7
128.04247	1.2
128.06244	0.8
131.04912	4.1
132.08507	0.5
133.06483	0.9
135.04416	79.3
135.90855	0.4
136.04790	1.2
137.02341	6.3
137.03297	0.8
137.05994	1.2
139.03900	51.8
140.04218	0.6
141.01805	0.7
141.06973	1.5
143.04910	1.8
144.05692	0.4
145.02841	1.8
145.03903	0.5
145.06473	2.1
147.04414	10.0
149.02347	11.1
149.05956	3.0
150.03069	0.9
151.03905	19.4
152.04526	0.4
153.01805	1.3
153.05495	0.9
153.06940	1.0
155.03780	0.6
155.04909	3.1
157.06461	1.7
159.04424	5.3
159.08058	0.5
160.05247	0.4
161.02373	1.5
161.05986	4.9
163.03906	73.6
164.04355	1.3
165.01843	1.2
165.05486	4.8
167.03398	5.4
167.04707	0.7
169.04965	2.5
169.06488	2.7
171.04440	1.1
172.55472	0.4
173.02338	0.9
173.05975	7.1
174.94745	0.4
175.03902	4.4
175.07640	0.7
176.04681	0.7
177.02005	0.6
177.05463	10.4
177.07025	0.6
179.03394	11.3
179.04907	0.9
181.04945	1.9
181.06483	1.3
183.04385	3.4
185.05978	2.8
187.03877	8.2
187.05255	0.7
187.07521	1.1
189.01801	1.0
189.05457	4.1
191.03394	13.9
191.07040	1.0
193.04961	2.5
197.05995	6.4
199.03926	1.0
199.07570	1.0
200.04684	0.7
201.04102	0.2
201.05460	12.6
203.03397	20.3
203.07016	3.0
204.03979	0.5
205.04944	4.3
205.06570	0.5
207.02834	1.2
207.06491	0.9
209.06050	0.7
211.03886	1.1
211.07513	0.9
213.05460	5.7
215.03436	4.8
215.06984	4.1
217.04959	3.9
219.06459	2.3
221.04315	0.9
221.06155	0.7
223.02359	2.8
225.05374	2.9
227.03368	1.6
227.07002	1.3
229.04953	18.8
230.05415	1.0
231.02859	1.1
231.06522	4.3
233.04439	6.3
235.02353	0.9
237.05452	1.9
239.03455	0.6
239.06923	0.9
241.04955	4.2
242.05659	0.6
243.02780	1.4
243.06532	6.3
244.03667	0.7
245.04451	100.0
246.04802	2.3
247.06020	70.9
248.06346	1.3
251.05391	1.2
253.04913	4.8
254.56984	0.5
255.06441	3.9
257.04446	22.0
258.05139	3.2
259.06027	12.8
260.06653	0.7
261.03668	0.5
261.07590	4.1
263.05246	2.6
265.05090	2.1
267.06522	1.8
269.04419	7.8
270.05133	1.3
271.05991	37.1
273.03876	1.0
273.07495	2.2
274.04715	5.4
275.05481	28.7
277.04941	0.7
279.06458	1.5
281.04507	3.8
281.07602	0.8
283.06012	12.2
285.03922	3.5
285.07547	1.6
286.04630	1.3
287.05487	35.5
288.05728	0.9
289.07050	43.8
290.07449	0.9
291.08655	15.7
293.04495	1.4
293.07956	1.0
295.06042	4.2
297.03864	5.3
297.07492	1.9
299.05493	7.0
301.07037	12.1
303.05063	1.2
303.08640	1.9
305.07980	0.9
307.05981	1.4
309.03809	2.0
309.07492	1.5
311.05380	3.5
311.08826	1.0
313.06992	3.5
315.04977	0.8
316.07294	0.6
317.07852	1.3
319.06134	1.1
321.04089	0.5
321.07678	1.3
323.05530	3.8
325.07080	1.1
327.05090	1.3
329.06772	1.0
331.08286	3.0
333.07193	0.9
335.05496	1.0
337.07004	1.0
339.04984	0.7
339.08591	1.0
341.06683	0.8
345.07632	1.7
347.05554	0.6
349.07007	1.5
351.04849	1.6
351.08737	0.7
357.07202	0.5
360.06165	0.4
361.07104	3.3
363.04645	1.1
363.06189	0.6
363.08881	2.4
365.06503	3.2
367.08096	1.3
373.06955	1.4
375.04669	0.6
375.08850	0.6
376.05884	0.5
377.06570	3.0
379.08078	8.4
381.05603	0.8
381.10083	0.8
383.07568	2.5
389.06528	5.3
391.08182	5.7
393.05908	4.4
395.07550	3.3
396.08313	1.0
397.09189	11.4
401.06717	2.1
405.05698	3.9
407.07623	37.5
408.07986	1.5
409.09167	35.1
410.09283	1.4
411.10773	3.8
413.07214	0.5
415.08511	0.8
417.05661	1.0
419.07690	8.2
419.13034	0.9
421.09277	4.0
425.08664	16.9
426.08859	0.7
427.10284	14.1
427.16077	0.8
431.07614	2.1
433.09174	4.2
435.11188	0.8
437.02832	0.8
437.08685	13.8
439.10004	1.5
447.07367	0.6
449.08673	4.8
451.10223	8.0
452.09824	0.5
453.11395	1.3
467.09378	0.6
515.09778	0.9
517.11145	3.9
527.10083	2.6
529.11188	1.0
535.12384	4.7
539.09296	0.7
541.11316	3.5
543.09387	1.1
545.10712	4.1
553.11011	0.6
557.11066	2.0
559.12323	4.1
561.13824	1.0
569.10162	0.9
571.12061	1.8
577.13379	7.6
579.15094	10.5
587.11334	0.6
589.13403	1.1
635.11194	0.7
661.12579	0.5
677.12683	1.4
679.14606	2.7
695.13812	2.1
697.15491	5.0
699.16473	0.9
715.16858	2.7
815.15381	0.8
833.15631	1.3
967.19525	0.7
985.20880	1.5
1029.00061	0.5
1140.32251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	5.4
83.01316	1.2
83.04987	2.2
85.02875	1.2
89.03907	5.6
91.05457	2.0
93.03367	1.4
95.04965	6.6
99.04453	1.4
103.05468	3.2
105.03384	3.4
107.04980	7.3
109.02872	2.8
111.00803	10.2
111.04433	20.8
115.05431	3.0
117.03387	4.4
117.06944	1.2
119.04936	1.6
121.02831	2.9
123.04420	98.9
124.04762	1.8
127.03912	74.3
128.04192	1.2
131.04944	4.9
135.04408	100.0
135.89171	1.1
136.04747	1.4
137.02370	8.2
137.05940	2.3
139.03891	61.1
141.06993	1.6
143.04951	2.2
145.02888	2.6
145.06487	2.6
147.04370	10.9
149.02330	8.8
149.05980	3.7
151.03889	29.8
153.05455	1.8
155.04926	4.9
157.06525	1.7
159.04440	5.1
161.02299	2.1
161.05966	6.1
163.03894	86.4
165.01820	3.0
165.05486	4.7
165.06879	1.1
167.03394	5.5
169.04980	2.8
169.06502	2.8
173.05948	7.4
175.03918	6.5
177.05475	9.8
179.03392	18.0
181.04999	1.9
183.04408	4.7
185.05994	4.0
186.54486	1.1
187.03836	8.6
187.07500	1.1
189.05435	5.4
191.03331	10.6
193.05017	3.4
197.05898	6.7
201.05457	17.3
203.03368	21.0
203.06978	3.1
205.04971	3.0
209.06079	1.9
211.03943	1.4
213.05440	7.3
215.03421	4.0
215.07085	5.6
217.04999	4.6
219.06479	2.5
221.04292	1.9
223.02449	4.8
225.05469	4.6
227.03424	2.0
227.07129	1.5
229.04951	16.7
231.02866	2.0
231.06491	3.4
233.04428	4.0
237.05475	3.4
239.06950	1.7
241.04921	5.0
243.06555	6.7
245.04437	83.8
246.04732	1.8
247.06013	81.1
253.05035	5.4
255.06474	5.6
257.04440	27.6
258.05286	4.2
259.05994	15.7
260.06781	1.3
261.07471	5.7
263.05310	2.4
265.05054	3.1
267.06549	3.3
269.04330	9.4
271.03061	2.4
271.05997	46.9
273.07562	2.2
274.04712	4.3
275.05435	21.6
279.06451	2.1
281.04309	5.2
283.05991	16.5
285.04007	3.0
285.07437	2.5
287.05481	32.1
287.77899	1.2
289.07028	57.7
291.06192	1.4
291.08698	12.7
293.04532	1.5
293.08224	1.4
295.05911	6.9
297.03925	6.8
297.07306	2.1
299.05463	10.2
301.07016	14.1
305.04474	2.3
305.07953	1.4
307.06042	1.9
309.03909	2.8
311.05481	3.9
313.07089	6.8
319.06125	2.1
321.03986	1.4
321.07397	1.3
323.05698	5.3
323.08911	1.7
325.07053	2.1
329.06613	3.1
331.08099	4.8
333.07422	2.5
335.05579	1.4
335.09338	1.6
337.06985	1.8
339.04828	2.4
341.06607	1.5
345.07449	1.8
351.05273	2.5
361.07022	4.9
363.04861	2.7
363.08875	2.6
365.06519	3.0
367.08047	1.4
373.06885	1.8
375.08728	1.3
377.06342	2.3
379.08096	14.3
383.07465	3.1
389.06445	4.7
391.08127	5.7
393.05698	6.7
395.07492	3.5
397.09134	9.9
401.06293	1.5
403.08304	1.5
405.05966	3.1
407.07608	34.7
409.09167	40.6
411.10370	4.1
415.08206	1.6
419.07669	8.5
421.09311	6.2
421.40485	1.2
423.11002	1.9
425.08582	24.6
426.09070	1.7
427.10263	13.8
431.07889	1.6
433.09125	9.1
437.08621	13.8
439.09943	3.2
449.08624	8.2
451.10236	15.2
461.09088	1.5
485.10226	1.5
515.09613	1.8
517.11243	4.8
527.09485	4.2
533.10272	1.5
535.12238	4.7
541.11176	5.2
543.09167	3.6
545.10504	5.3
557.10583	2.1
559.12219	7.1
561.13696	1.5
569.10846	2.1
571.12280	2.9
577.13293	12.2
579.14734	14.0
587.11737	1.6
589.13043	3.1
677.12616	4.0
679.14313	4.6
680.13983	1.3
695.13824	5.0
697.15527	8.4
699.15930	1.3
715.16290	3.8
764.08685	1.3
833.16913	1.7
834.89844	1.2
916.19458	1.2
985.21045	1.8
993.00208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
54.03468	1.1
54.93821	0.6
55.01865	1.8
55.02982	0.6
55.05505	1.4
55.93508	0.9
56.03773	0.4
56.96561	76.0
57.03430	3.6
57.04548	1.4
58.02960	1.7
58.99859	0.9
59.03731	0.8
59.04989	0.6
60.04521	0.7
67.02988	3.5
67.05495	0.4
68.05019	1.5
69.03410	2.8
69.04543	1.2
69.07064	2.9
69.96162	1.6
70.06583	1.2
70.94397	0.4
70.94765	0.9
71.06123	0.8
71.94096	8.7
71.95254	0.9
72.04511	43.6
72.08149	1.9
72.93783	100.0
73.02897	0.9
73.04032	1.0
73.04868	0.5
73.61595	0.4
73.93830	0.7
74.04816	19.1
74.97601	1.1
76.27783	0.4
77.00900	1.3
78.52956	0.6
79.05479	2.5
81.03412	0.7
81.03860	0.4
81.04546	1.4
82.02663	0.6
82.05314	0.9
83.97625	2.0
85.02909	1.0
85.04045	0.5
86.06049	2.2
86.09692	0.6
87.04446	0.7
87.05590	2.8
88.02638	0.6
89.95153	1.3
90.94818	33.5
91.05478	0.5
95.01945	0.8
95.04942	0.5
96.05610	0.9
96.08137	2.0
97.04005	0.8
97.06484	1.1
100.02477	5.1
100.52411	0.4
101.00898	0.8
101.01598	0.4
101.98619	0.7
102.02224	0.6
103.02420	0.7
105.00363	0.9
105.03369	0.9
108.95858	14.1
111.02929	1.6
111.04375	0.4
112.02783	0.5
113.96374	5.2
113.98650	0.9
114.03985	2.2
114.05537	1.1
114.06651	6.8
114.09156	13.1
114.10287	1.4
115.01191	0.7
115.02415	0.8
115.05025	0.5
118.01128	0.5
118.03505	5.4
119.01908	5.7
119.03632	0.9
120.03337	1.2
121.01637	0.8
121.02792	3.5
121.03583	0.4
123.04093	0.5
131.01901	5.0
131.97437	6.1
131.99675	3.0
132.05060	60.8
133.02338	0.6
133.03462	1.7
133.05302	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.01603	0.7
50.24960	0.4
51.02387	1.4
51.14893	0.5
51.82775	0.4
53.00304	1.2
53.03946	21.8
54.04280	0.5
55.01872	9.8
55.05511	8.0
56.96568	1.2
65.03943	10.2
66.04715	2.3
67.05502	67.7
67.45306	0.6
67.93560	1.2
68.05030	6.3
68.05844	0.6
68.95290	0.9
69.03439	0.8
69.04557	3.1
69.07070	5.1
69.48144	4.0
79.05491	61.8
80.05004	1.1
80.05796	0.9
80.06260	1.5
81.03416	28.0
81.07053	61.5
82.03763	0.7
82.06573	3.7
82.07395	1.0
83.06097	1.1
91.05478	19.0
92.05005	1.0
93.04554	0.7
94.04192	7.0
94.06128	1.2
94.60090	0.5
95.04977	2.9
107.04966	2.0
107.08585	1.9
109.02884	5.7
109.06516	100.0
109.07610	11.4
109.10149	20.2
110.06042	6.7
110.07150	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	1127.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
84.82074	0.3
103.99760	0.3
125.61449	0.3
153.02280	0.4
163.22975	0.4
175.29558	0.3
242.67091	0.3
248.62013	0.3
396.12387	0.4
397.12930	1.3
398.13901	0.6
399.14343	0.5
410.13602	1.8
411.14417	3.7
412.15244	3.3
413.15674	2.0
414.15826	0.7
423.14520	1.2
424.11188	1.1
424.15363	1.6
425.16263	7.6
426.16879	6.8
427.17145	3.0
428.18103	2.0
437.16556	0.8
438.13046	1.4
438.17450	1.1
439.13498	11.4
439.18912	0.7
440.13809	1.9
440.19363	4.3
441.19293	31.6
442.19461	6.1
443.19461	4.7
451.17856	0.4
452.14081	2.2
453.15280	14.0
454.15820	5.7
455.15308	2.3
456.16452	0.7
457.14862	0.6
458.15445	0.6
459.20422	0.6
463.14240	1.0
465.15396	0.6
466.16663	0.9
467.17148	21.7
468.17749	12.5
469.18503	14.0
470.18741	3.2
471.18661	2.3
472.17871	0.7
477.16034	0.3
478.16776	0.4
480.17450	1.2
481.14706	13.1
482.14984	3.5
483.14609	2.5
484.16263	0.3
485.18048	1.4
486.18430	0.5
494.17624	0.7
495.16086	4.0
496.17191	9.2
497.17703	3.8
498.17749	2.4
499.19128	1.4
500.19894	0.6
508.20044	0.6
509.18130	2.1
510.19370	1.0
511.17682	0.6
512.20532	1.0
513.21143	0.8
514.22540	2.9
515.22577	0.8
522.17688	0.9
523.19879	1.8
524.20367	0.6
525.18115	0.3
526.18103	0.4
527.23395	2.9
528.23633	0.7
529.23145	0.4
536.19287	0.5
537.18073	0.6
540.20203	0.7
542.21368	0.8
553.17816	0.4
555.22382	31.3
556.22687	4.9
557.22540	5.0
558.23596	0.5
573.23480	0.5
583.21875	79.5
584.22174	14.7
585.21979	17.0
586.21405	0.9
587.24872	1.6
611.21094	1.8
614.23956	0.8
615.24371	6.7
616.24561	1.5
617.24762	1.7
642.23346	1.7
643.23944	100.0
644.24213	15.8
645.24109	19.1
646.24249	0.5
996.28094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
50.44064	0.1
51.02375	2.1
53.03947	10.0
54.04277	0.4
55.01871	0.8
57.64651	0.1
60.04517	0.4
64.92819	0.1
65.00282	0.2
65.03937	1.2
66.01014	0.1
67.04220	0.2
67.05525	0.2
77.03919	3.0
78.03508	0.2
78.04710	5.0
79.05491	34.2
79.60385	0.1
80.05029	0.4
80.05811	1.1
81.03420	1.4
91.05481	4.0
92.06280	0.2
95.04968	34.0
96.04501	0.4
96.05272	0.8
104.05016	0.9
104.05673	0.2
105.04514	5.7
105.07025	1.0
106.06554	100.0
107.04953	8.7
107.06130	0.2
107.06867	2.8
107.08595	0.5
109.06523	0.5
118.06544	0.3
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
51.02378	3.7
53.03948	18.2
55.01863	1.1
60.04501	0.9
61.08492	0.8
65.03931	3.1
71.38425	1.6
77.03930	6.1
78.03437	0.8
78.04724	1.4
78.32643	0.7
79.05495	64.8
80.05788	1.5
81.03415	2.1
87.00850	1.9
91.05470	1.6
95.04973	42.8
96.05313	1.2
101.36549	0.7
103.05473	42.4
105.04528	9.1
105.07034	100.0
105.11066	1.6
106.06563	3.9
106.07367	2.2
109.65408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.9
51.02375	1.8
52.02718	0.2
53.03946	11.0
54.04265	0.4
55.01867	0.8
60.04520	1.0
64.92788	0.4
64.95573	0.5
65.03944	5.3
67.04238	0.4
67.05511	0.8
70.06606	0.3
71.58442	0.2
71.58903	0.4
74.42218	0.2
77.03920	2.0
78.03484	0.3
78.04269	0.4
78.04712	5.2
79.05493	38.7
79.99798	0.2
80.05025	2.3
80.05815	2.3
81.03424	1.4
88.77473	0.2
91.05481	24.7
92.06271	0.8
95.04968	32.8
96.04523	1.5
96.05292	1.9
96.47124	0.2
104.05006	0.8
104.05806	1.7
105.04521	5.9
105.07031	6.4
106.06556	100.0
107.04958	10.2
107.06113	0.9
107.06893	2.4
107.08578	5.4
109.06513	3.4
119.06049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
51.02380	2.2
51.17068	0.2
51.26179	0.2
53.03951	12.0
54.04292	0.3
55.01867	0.6
60.04519	0.4
60.87269	0.2
63.47645	0.2
64.95559	0.2
65.03941	1.2
68.65685	0.2
70.17907	0.9
77.03926	2.5
78.04712	4.8
79.05495	32.5
80.05019	1.0
80.05826	0.7
81.03419	1.2
91.05486	3.7
95.04972	31.5
96.04488	0.7
96.05295	1.0
104.05018	0.9
104.32122	0.2
105.04522	5.7
105.07031	0.7
106.06557	100.0
107.04958	4.3
107.06168	0.3
107.06872	2.9
107.08606	0.8
107.75548	0.2
109.06514	0.6
112.46066	0.2
118.06554	0.3
119.06047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	2.0
51.02390	4.2
53.03947	21.6
54.37316	0.8
55.01870	1.1
57.25801	0.8
63.77599	0.8
65.03652	1.0
65.03946	11.6
70.21509	0.7
77.03926	5.6
78.04715	4.2
79.05493	70.2
80.05795	1.0
81.03421	2.1
93.06100	0.8
95.04971	47.4
96.05287	0.9
100.95174	0.7
103.05471	43.8
105.03412	6.1
105.04526	9.1
105.07031	100.0
106.06554	4.0
106.07353	3.4
108.98451	0.8
114.87843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	3.1
51.17649	0.9
52.71133	1.1
53.03952	17.0
54.87859	0.9
57.82189	1.0
60.04507	3.1
61.08520	1.8
61.56279	0.9
65.03951	2.7
68.04650	1.0
71.38456	1.4
77.03932	5.8
79.05495	65.3
80.05811	1.3
81.03402	2.0
87.00813	5.7
95.04363	2.1
95.04970	42.0
96.04494	1.2
96.05293	1.4
103.05473	43.0
104.90830	1.5
105.03394	2.7
105.04520	10.6
105.07033	100.0
105.11077	2.5
106.06555	6.7
106.07286	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	1048.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00652	5.9
74.02450	1.6
76.02223	19.9
76.04000	5.9
79.05491	13.0
80.05013	12.3
81.03424	7.4
81.05780	4.7
81.07052	14.4
82.06582	4.5
83.04995	1.9
83.06094	8.5
83.08611	5.3
84.04505	48.2
85.01125	50.7
85.02884	2.9
85.04018	2.3
86.00654	38.5
86.99056	53.3
87.02669	4.1
88.02213	7.5
88.03957	1.5
91.05483	11.0
93.07031	12.0
95.04956	4.6
95.08595	12.3
96.04485	5.9
97.01112	13.6
97.02885	2.0
97.10168	2.9
98.00628	5.8
98.06039	5.8
99.01367	2.1
99.05556	2.3
100.02193	5.7
102.03761	32.2
102.05540	24.3
105.07016	6.6
107.04958	2.3
107.06020	1.7
107.08624	7.3
108.04475	1.8
109.05225	2.7
109.07627	5.5
109.10142	7.1
110.05997	2.1
112.02200	27.3
112.03956	5.5
113.00576	5.8
114.00122	4.3
114.03755	17.5
114.05520	4.8
116.01682	31.4
117.07012	1.9
119.08594	4.0
121.10149	4.8
124.02187	9.1
125.00555	2.4
125.09614	3.2
126.03706	4.2
126.05480	3.9
129.06587	7.2
130.03246	17.7
130.04996	30.7
131.04512	1.9
131.08582	3.2
132.01128	2.4
132.04672	1.8
133.10126	3.0
134.05983	2.5
135.11652	3.0
136.03969	2.5
139.02101	1.8
139.03146	2.2
140.01639	5.1
141.04781	2.5
142.03224	50.6
142.04916	3.0
143.01648	3.2
143.02733	42.0
143.04466	2.2
144.01131	5.9
145.06068	5.4
145.10071	3.5
145.71060	1.6
147.11626	2.2
149.13202	1.6
152.01672	2.9
153.06602	5.6
155.08151	10.2
156.06583	10.0
158.02702	8.4
159.11740	2.2
160.04269	1.5
162.02170	9.8
168.04785	7.4
168.06609	2.8
169.04387	7.0
170.02707	6.0
171.02267	6.7
177.03310	12.2
179.04840	16.6
181.06071	8.4
185.03833	2.5
187.05281	1.5
188.03769	7.3
188.05289	1.7
189.03288	100.0
193.12186	3.2
196.04269	11.1
199.05302	4.0
199.07076	4.6
201.08711	2.2
202.04018	2.1
204.08476	1.8
205.06429	37.1
208.06068	2.1
215.02968	3.1
215.04861	39.5
217.06439	4.1
223.07614	1.8
224.03746	6.7
227.04860	4.4
229.14383	2.5
231.04352	5.8
233.05911	37.3
241.06357	5.1
243.04393	3.3
245.05931	19.4
248.10945	2.6
259.07523	8.5
266.12097	5.3
267.15906	3.9
269.05933	4.0
284.13120	3.8
284.92920	1.5
287.06973	17.8
288.06488	3.1
299.06927	3.9
306.07504	3.8
307.08249	6.0
308.09076	5.3
316.09631	1.9
317.07898	2.7
334.10635	25.0
335.25797	17.3
341.15347	3.1
344.09088	1.7
345.07401	2.8
362.10150	53.1
443.18973	1.8
461.19470	2.8
534.20740	1.9
642.28906	1.6
654.40125	2.9
703.39667	3.0
705.42133	1.9
721.40723	10.4
739.42059	14.2
748.80219	1.8
757.42944	11.6
793.42670	4.6
811.43414	6.9
868.45789	8.4
886.47205	42.3
887.46979	4.3
891.94312	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	1048.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01151	1.1
74.00675	5.9
75.01501	0.9
76.02226	19.9
76.04000	6.7
79.05489	14.9
80.05017	14.0
81.03427	6.6
81.05798	2.9
81.07053	18.1
82.06576	3.1
83.05003	1.6
83.06095	8.7
83.08610	4.1
84.04502	52.0
85.01127	49.7
85.02885	2.1
85.04021	5.1
86.00651	39.3
86.99055	49.4
87.02684	3.3
88.02231	5.2
91.05482	10.6
92.01675	1.7
93.06551	1.4
93.07046	13.2
94.06549	2.0
95.04944	4.0
95.08604	9.6
96.04483	5.6
97.01118	12.8
97.02879	2.1
97.06529	1.2
97.10160	4.7
98.00629	4.4
98.06047	3.3
98.20748	1.9
98.99030	1.9
99.01418	1.9
99.05569	3.0
100.02193	8.8
102.00096	1.6
102.03764	36.5
102.05544	23.3
105.07022	7.6
106.06564	1.8
107.04960	1.6
107.06091	1.8
107.08575	9.0
108.04459	2.6
109.05240	1.7
109.06496	1.1
109.07667	5.8
109.10162	5.7
110.06032	2.6
111.02640	2.0
111.04441	1.2
112.01424	1.8
112.02186	30.1
112.03942	4.4
113.00582	4.8
114.00109	2.2
114.03761	15.3
114.05555	2.0
115.02113	1.9
116.00880	2.2
116.01672	30.3
116.02489	2.0
117.07018	3.8
119.08584	6.9
121.10104	5.8
122.06009	1.5
123.11646	1.3
124.02184	6.0
125.00579	2.3
125.09660	2.4
126.03729	3.9
126.05500	3.6
128.07082	2.1
129.06544	7.0
130.03250	16.2
130.04990	25.7
131.01628	1.8
131.04521	2.4
131.08571	3.9
132.01143	2.7
132.04704	1.6
133.10144	5.1
134.05997	1.7
135.11674	3.8
136.03928	1.8
139.03201	1.3
140.01685	4.9
142.02103	2.3
142.03215	47.3
143.02733	36.2
143.04440	1.8
143.10529	1.0
144.01140	7.6
145.06094	7.4
145.10107	2.8
146.02748	1.0
146.06859	1.3
147.07814	1.3
147.11646	2.2
149.13225	2.8
152.01620	2.3
153.06560	5.3
155.08150	10.7
156.06538	9.6
157.10086	1.9
158.02707	7.4
159.11748	2.0
160.00670	1.3
161.11880	1.1
161.13257	1.7
162.02171	11.8
162.05551	1.3
163.11237	1.2
163.14810	1.1
165.06752	1.0
165.12781	1.4
168.04791	7.5
168.06552	1.9
169.04349	8.0
169.05663	1.5
170.02669	7.9
171.02266	5.7
171.07718	1.2
171.11623	1.2
173.09268	4.3
173.11830	1.2
177.03294	17.8
179.04851	19.9
179.06320	2.0
181.06081	6.6
183.07585	1.2
184.06064	3.2
185.03748	5.0
187.05405	1.7
188.03786	9.4
188.05415	1.7
189.03287	100.0
190.03363	1.6
191.10686	1.1
193.06076	1.6
193.12218	2.4
196.04297	14.5
199.05283	3.6
199.07147	4.0
201.08685	2.0
205.06413	36.0
208.05986	2.4
211.07091	1.5
211.13171	1.4
213.03146	1.3
213.07022	1.2
215.04849	38.9
217.06407	4.3
223.07861	1.5
224.03766	5.0
224.11012	1.1
227.04794	4.0
229.14279	2.2
231.04320	6.7
231.07932	1.4
232.05135	3.0
233.05908	37.0
238.07172	1.5
241.06450	3.5
243.04330	2.1
245.05905	15.5
248.11003	1.4
249.09370	1.6
257.07767	1.3
259.07431	7.5
259.20670	1.6
261.22049	1.8
266.12039	7.4
267.15967	7.4
269.05902	4.2
274.10178	2.1
275.11127	2.0
283.15781	1.2
284.13077	2.8
287.06946	17.5
287.09863	1.8
288.06516	2.2
294.11539	1.8
299.06940	3.9
306.07440	5.6
307.08145	6.6
308.09055	8.5
316.09924	1.3
317.07941	2.8
322.07376	1.3
323.14117	1.3
334.10663	25.2
335.25766	26.8
336.26169	1.2
340.15646	1.1
341.15271	3.0
344.09042	1.7
345.07452	4.3
362.10150	52.5
369.15112	1.5
392.11185	2.4
443.18323	2.5
461.19492	3.9
527.37408	2.1
534.21014	1.1
590.24579	1.2
608.24957	2.5
618.37964	2.0
636.38965	1.2
654.40027	2.3
703.39703	2.2
705.40668	1.8
721.40869	10.2
739.41785	21.5
740.41632	1.3
757.43213	10.5
775.41711	1.6
793.42242	5.5
811.43915	6.4
830.14099	1.3
850.44916	1.4
868.46600	10.0
886.47345	44.1
887.47211	3.7
1048.51514	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	104.0498
Annotation	Benzonitrile
Peak:m/z	Relative Intensity
51.02371	3.0
53.03944	14.8
54.92532	0.7
55.01866	0.9
58.06592	3.9
60.07883	1.3
60.08165	20.9
60.95824	0.6
61.97249	0.6
62.92997	1.6
71.59036	1.1
77.03917	3.4
78.04714	3.7
79.05500	4.2
81.03412	1.5
87.04433	1.2
88.10452	0.7
95.04964	32.8
96.04492	2.5
103.05460	2.5
104.04988	100.0
104.10741	31.3
105.04510	7.3
105.05264	1.4
105.07017	6.9
122.06048	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78199	0.2
53.33609	0.2
58.06597	8.1
59.07379	2.6
59.49385	0.2
60.08162	73.0
61.08494	0.5
64.66206	0.2
68.05025	0.5
69.03426	4.9
70.83727	0.6
86.06052	1.8
87.04466	7.3
104.10739	100.0
105.11086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46472	0.2
52.53513	0.2
54.11119	0.3
58.06305	0.6
58.06600	13.7
59.07382	4.3
60.08163	100.0
61.08496	0.6
62.92994	0.9
64.01920	0.4
69.95493	0.4
69.95912	1.1
80.11124	0.3
104.10742	89.6
105.07005	0.4
105.11063	1.0
110.10197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.1
51.02380	6.6
53.03948	29.5
55.01868	1.8
56.05032	6.1
56.96552	2.0
57.03426	1.4
57.04535	1.4
57.05381	4.3
58.02937	1.3
58.06606	6.5
59.06127	6.1
60.02139	0.7
60.04517	2.7
60.08162	8.9
60.50172	0.6
60.95851	5.2
61.92826	0.6
62.06089	14.5
62.92982	0.8
64.99683	0.7
68.05032	1.7
69.03425	3.1
70.87639	1.6
72.06884	1.1
73.07674	1.9
74.06065	1.0
75.05595	2.7
77.03928	7.9
81.03429	3.4
81.75021	0.6
85.02908	1.0
85.04816	1.0
85.07669	3.1
86.06066	10.3
86.26356	0.6
87.04460	5.4
88.01627	1.2
95.04967	71.7
98.21414	0.7
102.04689	6.1
102.96882	1.0
103.03978	2.4
103.05469	100.0
103.08704	26.9
103.09415	1.5
104.05815	1.7
104.10742	13.0
105.04517	12.4
118.06577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
55.61538	0.7
56.05031	6.4
56.96564	7.0
57.04564	0.8
57.34049	0.7
58.18604	0.7
58.95941	0.7
58.96168	8.3
59.06124	11.1
59.96175	1.8
59.99932	1.4
60.04532	5.3
60.95853	4.0
64.33121	0.8
67.38303	0.7
71.40324	1.4
72.06838	1.2
73.94855	0.9
74.06075	1.3
77.00900	1.0
78.00988	1.1
79.01824	1.0
82.01434	1.1
82.99834	1.0
83.01514	2.6
83.06092	2.2
84.04507	1.9
90.87339	0.8
94.00893	0.8
98.52728	0.8
99.99860	0.7
100.02480	1.4
100.97170	2.3
100.98032	1.1
101.00880	12.8
101.02560	10.3
101.07131	2.2
102.02221	5.0
118.03474	1.2
118.98225	2.6
119.01920	100.0
119.03610	8.3
END